smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1c2[nH]nc(-c3cccs3)c2[C@@H](c2ccccc2)N1c1ccccc1 720117 VIUNGEQUQVOJHG-HXUWFJFHSA-N 357.438 4.888 0 40 FJAB C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 938190 NBKGWALADIQOSR-KBVBDRTLSA-N 364.228 4.577 0 40 FJAB Cc1oc2cc(OC(=O)C3CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 1447973 HAJHCONGEFXHLI-UHFFFAOYSA-N 354.789 4.737 0 40 FJAB biogenic CC(=O)Oc1ccc2c(=O)c(Oc3ccc(C(C)C)cc3)c(C)oc2c1 2090282 NQPIFKWXRQCXAG-UHFFFAOYSA-N 352.386 4.942 0 40 FJAB biogenic Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2N(C(C)C)C(C)C)cc1 2179713 CVPQTOXEFBVKJW-QNGOZBTKSA-N 361.489 4.858 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 2790419 RWWHKCWBZYFBHI-QGZVFWFLSA-N 356.422 4.745 0 40 FJAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2Cl)sc(C)c1CC 3253115 RPUKULMIHKEHIJ-UHFFFAOYSA-N 369.845 4.840 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)OCc2cnc(-c3ccccc3)s2)c1 3331178 HRVWUJMNLZORLA-UHFFFAOYSA-N 373.861 4.894 0 40 FJAB O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1Cc1ccccc1 4550495 PCFPDFLINVRZQQ-UHFFFAOYSA-N 371.480 4.951 0 40 FJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2)N3)C1 4553969 TWCWGJZBRRFOSJ-MRXNPFEDSA-N 361.898 4.597 0 40 FJAB CCN(CC)c1cc(-c2ccccc2)nc2cc(-c3cccc(OC)c3)nn12 4980575 KRWOATYBDRTIHA-UHFFFAOYSA-N 372.472 4.918 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)oc1C 5033304 KLYQIRDBKJVJRJ-UHFFFAOYSA-N 369.804 4.947 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccccc1-c1nc(-c2ccccc2)no1 5556949 XLAMLQLCOQMAGR-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 6601217 SLEOIJGJXPYUCO-SNVBAGLBSA-N 353.647 4.542 0 40 FJAB COc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)c1 6810608 PKTZJOGBVSJWPD-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1C 7318725 MGJYNGXNHTZELG-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB CC(=O)c1ccc(OC(=O)CCCSc2nc3ccccc3s2)cc1 7656318 HHCQYBBOAPSPKO-UHFFFAOYSA-N 371.483 4.977 0 40 FJAB Cc1cc2occ(CC(=O)OCCOc3ccccc3Cl)c2cc1C 7814529 ZXZFUTGKEYKYNV-UHFFFAOYSA-N 358.821 4.868 0 40 FJAB CCCCCc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 7995815 DNWIQUXFBPUNAY-UHFFFAOYSA-N 372.519 4.576 0 40 FJAB CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 8130045 JWQDEPDPMKKZMA-UHFFFAOYSA-N 363.788 4.722 0 40 FJAB Cc1ccc(NC(=O)CCCOc2cccc(Br)c2)c(C)c1 8428921 AXRSHAKBZCKFAC-UHFFFAOYSA-N 362.267 4.864 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)cc1C 8749666 JWHBSKKOKWATAD-UHFFFAOYSA-N 369.490 4.635 0 40 FJAB COc1cccc(C2=NN(c3nc(C)cs3)[C@@H](c3cccs3)C2)c1 9134158 KTZUFXLCFCRZIJ-MRXNPFEDSA-N 355.488 4.877 0 40 FJAB O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1ccc(Cl)cc1 11164308 XSGMKDAHIGHGQQ-UHFFFAOYSA-N 361.825 4.889 0 40 FJAB O=C1C[C@H](c2cccc(OCc3cccc(F)c3)c2)c2sccc2N1 12428775 HEBQCXOTRMNRNW-QGZVFWFLSA-N 353.418 4.940 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)N(CC(F)(F)F)[C@H](C)C1CC1 12533309 LCXVVVYRCDJYQJ-CQSZACIVSA-N 364.411 4.584 0 40 FJAB CCOc1ccc(C[C@H]2C(=O)N(CC)c3ccc(Br)cc32)cc1 15018120 XSWWGFYWLLSBLN-QGZVFWFLSA-N 374.278 4.541 0 40 FJAB CCc1cc(=O)oc2cc(Oc3ncnc4sc(C)c(C)c34)ccc12 15166637 PTQUQSKLCBKUOZ-UHFFFAOYSA-N 352.415 4.769 0 40 FJAB COc1ccc(OCCSCC(=O)Nc2cccc3ccccc23)cc1 15497463 AXRMJAUJJVLXAP-UHFFFAOYSA-N 367.470 4.599 0 40 FJAB Cc1ccsc1CN(Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 19238596 ZCOMQQRQGWBPOV-UHFFFAOYSA-N 357.567 4.763 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(OC)cc1 19932927 UXUNNHXDFVKGQH-NRFANRHFSA-N 363.457 4.664 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1cccc(Cl)c1)c1ccccn1 27581176 XEVBNQXANAZGLU-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB CCn1c(-c2csc(N(C(C)=O)c3ccccc3)n2)nc2ccccc21 48879757 MQNZOEQDDJJQAH-UHFFFAOYSA-N 362.458 4.864 0 40 FJAB O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(-c2cnco2)cc1 65515122 MPFMAGLQHPQRAY-UHFFFAOYSA-N 361.323 4.568 0 40 FJAB CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215386 FNJJITFJKSYNPR-SFHVURJKSA-N 359.514 4.778 0 40 FJAB CC[C@H](C)c1ccc(OCCN2C(=O)C[C@@H](C)Nc3ccccc32)cc1 82087100 FIFKZVOYAFUXIE-DLBZAZTESA-N 352.478 4.816 0 40 FJAB CCN1CCc2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc21 84789421 OFZJJBPPMFLFKU-UHFFFAOYSA-N 374.406 4.758 0 40 FJAB CCOc1ccc(C(=O)NCc2sc(-c3ccccc3F)nc2C)cc1 90592896 VXWBEHFBZZBZMF-UHFFFAOYSA-N 370.449 4.586 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1Br 91297052 OYIFDFJTMKUHTB-UHFFFAOYSA-N 356.138 4.695 0 40 FJAB Cc1csc(-c2cccc(NC(=O)N[C@@H]3CCO[C@H](CC(C)C)C3)c2)n1 95464601 KGUNQTBTRQBHRA-QZTJIDSGSA-N 373.522 4.834 0 40 FJAB CC(C)c1sc(Br)nc1C(=O)Nc1ccc2cc[nH]c2c1 95477809 WXCUORDQJCXHMB-UHFFFAOYSA-N 364.268 4.763 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1cnc2ccccn12)C1CC1 96025055 VXPONSTVSTWZSW-UHFFFAOYSA-N 374.366 4.550 0 40 FJAB Cc1cc(C)cc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2cccs2)c1 100423724 IRLUKAZRDUMIGH-RTBURBONSA-N 369.534 4.682 0 40 FJAB CCOc1ccc([C@H]2C=C(c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 102048020 STQQBBMQAUFZLO-OAQYLSRUSA-N 360.461 4.856 0 40 FJAB O=C(Nc1ccccc1OC1CCCC1)N1CCO[C@H](c2ccsc2)C1 152455162 LWSOIDDVZWEFSZ-IBGZPJMESA-N 372.490 4.675 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CCS[C@H](c2cccs2)CC1 219466204 CPJMQBXEWBYOEW-HNNXBMFYSA-N 360.529 4.678 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)NCCOc1ccc2ccccc2c1 223582073 PZKNHZUCQGSWJJ-KRWDZBQOSA-N 365.498 4.657 0 40 FJAB CC(C)Sc1nnc(NC(=O)CCc2cccc3ccccc23)s1 224267157 WXCUTBNULUKSGG-UHFFFAOYSA-N 357.504 4.763 0 40 FJAB Cc1ccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C 224981201 CPIABZGSLISCAC-UHFFFAOYSA-N 359.469 4.708 0 40 FJAB CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225673065 SDIFCGOQHHRDPN-GOSISDBHSA-N 370.518 4.983 0 40 FJAB CC(C)C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 225812221 ZDEVOPZVXVAQOL-GOSISDBHSA-N 365.395 4.988 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CC(C)C)C2)n1 257253905 KATIENJGKOAUSU-SFHVURJKSA-N 354.469 4.948 0 40 FJAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc2ncsc2c1 390829149 DBMNKHXFXLHBRM-UHFFFAOYSA-N 354.456 4.590 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1C 408706477 YSLIYEDHNYPXDL-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB O=C(NC[C@H](c1ccco1)c1cccs1)NC12CC3CC(CC(C3)C1)C2 585147750 XSTOVEQZLDTESL-JRQWYPPZSA-N 370.518 4.741 0 40 FJAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@@H](OC2CCC2)C1 653936635 GRKQUFAXHIPYGP-HXUWFJFHSA-N 358.482 4.573 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 850112 MBUUNQDGQZKZCN-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB COc1ccc2c(C)cc(SCC(=O)Nc3cccc(C)c3)nc2c1 943203 RRQXXIHAECCCOK-UHFFFAOYSA-N 352.459 4.591 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 1497207 SRXQXDPWOMDYQT-FYWRMAATSA-N 361.397 4.775 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1cncc(Br)c1 2658003 UQVYGNQVUSXKMV-UHFFFAOYSA-N 369.218 4.889 0 40 FJAB C[C@H](c1ccco1)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 3954959 JJLRBCCDBYMBAW-NOCBQHASSA-N 350.462 4.985 0 40 FJAB Clc1cc(Cl)c2nc(N3CCN(c4ccccc4)CC3)sc2c1 4061322 NBPNGYVNJLNAQE-UHFFFAOYSA-N 364.301 4.930 0 40 FJAB CC(C)(C)c1csc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 4070504 JKVIHEJJERINAB-UHFFFAOYSA-N 364.470 4.924 0 40 FJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccccc1F 4355543 JOBOZURVPLJWCD-UHFFFAOYSA-N 373.840 4.667 0 40 FJAB Cc1ccc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1 4392553 LGRRWCQWIPKCJE-UHFFFAOYSA-N 350.487 4.708 0 40 FJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5254874 WGYUNJBUDLXZGQ-PUHATCMVSA-N 369.480 4.703 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)cc1 5434761 XYYAUYAUDKGAEA-AWEZNQCLSA-N 367.474 4.727 0 40 FJAB COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1N1CCCCC1=O 5441951 OKBGODQBFSHRIX-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1OC 6155246 TUPJNRWAYQGGOX-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB CCCN(CCC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 6509005 NSPSAISHBBVTOJ-OUKQBFOZSA-N 374.488 4.596 0 40 FJAB Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1 6945658 STKWAQAWRLYCNU-QFIPXVFZSA-N 372.468 4.803 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 7058404 LOCRJSPSYJKHIN-UHFFFAOYSA-N 359.425 4.630 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 8200240 UPCLORXFYYEXAR-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB CCCc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)c(OC)c1 8739200 ALSNXLQLDUXAAR-HXUWFJFHSA-N 354.494 4.649 0 40 FJAB biogenic O=C(Nc1ccnn1Cc1cccs1)c1ccc(-c2ccccc2)cc1 9447349 YLLAECGASHWMRG-UHFFFAOYSA-N 359.454 4.912 0 40 FJAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 10156576 SPLXDDTYGFFMTO-MRXNPFEDSA-N 361.420 4.889 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc2cccnc12 10225649 AQTAZFNZKVESGC-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1ccncc1 12563572 VSBAPKUXOZFGTL-OAQYLSRUSA-N 370.518 4.655 0 40 FJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3cc(C)on3)n2n1 12648149 MVJGGFNHCDFULL-UHFFFAOYSA-N 350.447 4.602 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3Cl)c12 12769776 CSFLLAKVBLWIPY-UHFFFAOYSA-N 362.216 4.968 0 40 FJAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 13676571 ATODEIPESIJZBH-SFHVURJKSA-N 353.506 4.809 0 40 FJAB O=C(COc1ccc(C2SCCCS2)cc1)NC1CCCCCC1 14183225 MNIWIWHKPPCDCY-UHFFFAOYSA-N 365.564 4.773 0 40 FJAB COC(=O)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1 15193509 IIBVEONRAWYTOA-HNNXBMFYSA-N 351.855 4.566 0 40 FJAB C[C@@H](Sc1ccccc1Br)C(=O)Nc1ccc(F)cc1F 16549032 ZZQOYEUOEUDISY-SECBINFHSA-N 372.234 4.847 0 40 FJAB CCOc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(F)(F)F)cc1 19927107 SAGZCFKNIMTVRH-QGZVFWFLSA-N 367.392 4.883 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 20030089 NTPNNNJQAOLNMD-LLVKDONJSA-N 357.866 4.658 0 40 FJAB COC[C@@H](C)n1c(S[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 23074553 LFSLJGJXPABOEB-ZIAGYGMSSA-N 372.465 4.596 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 27975317 SZOYYKZXPKAFLX-LLVKDONJSA-N 350.245 4.888 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1Cl 28286976 XGKGVIYTZCRNDE-LBPRGKRZSA-N 368.820 4.879 0 40 FJAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 32842045 GCQCBYQBJRHSME-CQSZACIVSA-N 374.506 4.606 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 35170647 CPADFMXOIOPJJL-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB Cc1ncsc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 51330503 WPWBEQYZDUXENY-HNNXBMFYSA-N 371.849 4.689 0 40 FJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/c1c(F)cccc1F 58357861 QAGWHVQPGYBZNR-VQHVLOKHSA-N 367.355 4.507 0 40 FJAB COc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)c1 72229554 BPAKEHOBAPJCGE-CYBMUJFWSA-N 373.884 4.562 0 40 FJAB COc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)c1 72358352 IHCWGRSJKDNONN-HXUWFJFHSA-N 359.473 4.532 0 40 FJAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](C)C4)cc3)cc2c1 72396141 LYKJMWMLASIQBE-QGZVFWFLSA-N 361.489 4.685 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC 78551751 PLAGEDJLWSOOLC-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(Cl)cc1)SCC(O)=N2 79484911 RORACDQXYRJBDZ-KRWDZBQOSA-N 370.865 4.653 0 40 FJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)c1cc2ccccc2o1 90592925 VLIKSUNGRRXVFH-UHFFFAOYSA-N 366.417 4.934 0 40 FJAB CCOC(=O)[C@@H](C)Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695584 GKENSXABRQIBOY-SNVBAGLBSA-N 373.758 4.751 0 40 FJAB CCCOc1ccc([C@H](C)N[C@@H](C)c2nc3c(s2)CCC3)cc1OC 95450980 CQRSEBAIKAJALC-KBPBESRZSA-N 360.523 4.841 0 40 FJAB CCc1cccc2c3nnc(S)nc3n(Cc3ccc(Cl)cc3)c12 96319335 VQEYEOGMFBQTOM-UHFFFAOYSA-N 354.866 4.532 0 40 FJAB O=C(c1cccc2ncccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166342 VGVUOMMBJMRKBJ-RTBURBONSA-N 360.432 4.925 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N 216866247 JUPXHTLMCATPMA-IAGOWNOFSA-N 351.494 4.905 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccccc2Cl)cc1 222891690 XZBQKGJRPUQRPG-FQEVSTJZSA-N 359.897 4.809 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)s1 223081261 XDXXYBWMNJVHMP-QZTJIDSGSA-N 357.548 4.757 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC1CCCC1 223671694 VMAUWCCBWAQRAJ-IBGZPJMESA-N 363.567 4.934 0 40 FJAB COC(=O)c1cc2cc(NC(=S)NC3CCCCCC3)ccc2s1 225212053 FOVJCRLYFQWOAF-UHFFFAOYSA-N 362.520 4.697 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225526854 KSPAQAOYANBXJO-UHFFFAOYSA-N 373.880 4.816 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ccc(OC2CCCC2)cc1 225620671 FFYQQMICCNAONC-UHFFFAOYSA-N 374.278 4.952 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(Br)c(C)c3)oc12 408569768 PVDAQGPQDRFDGW-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB O=C(c1ccc(F)cc1)C1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1 614181325 RRXPWPRBFWBTQU-IRJFHVNHSA-N 371.496 4.854 0 40 FJAB O=C(COC(=O)C1CCCCCCC1)c1ccc(Br)cc1 1578854 JQFKHNGNFAMEGB-UHFFFAOYSA-N 353.256 4.536 0 40 FJAB O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(C2CC2)s1 2726310 RQDWYPTWLQRGLM-UHFFFAOYSA-N 353.900 4.580 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CC1 3343659 WKKCZDYUHYHSKQ-UHFFFAOYSA-N 355.743 4.909 0 40 FJAB CN(Cc1cccs1)C(=O)CSc1nc(-c2ccccc2)cs1 3399558 FQODLFMEJBCHQP-UHFFFAOYSA-N 360.529 4.622 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)OCc1nc2ccccc2s1 3440398 UUUUWZUOBZNCKA-UHFFFAOYSA-N 350.443 4.844 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(F)cc2)s1 4072296 PRHALJZLEZGBJK-UHFFFAOYSA-N 363.417 4.679 0 40 FJAB Cc1ccc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccccc3F)C2)cc1 4131492 NIQVEUBCYHOSRD-OAQYLSRUSA-N 359.404 4.521 0 40 FJAB CC(=O)Nc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137771 CDLRBIRXIPNMNP-UHFFFAOYSA-N 358.423 4.747 0 40 FJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCC2CCCCC2)cc1 4550871 ACFQUUKSVVTRLU-UXHICEINSA-N 373.493 4.865 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 4815796 GNSMALDIYYIWKS-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccccc1F 4854265 PZDSYEQROOHQGC-IBGZPJMESA-N 369.827 4.918 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(Cl)cc1Cl 5622460 OMORPAMVQZCOET-WDEREUQCSA-N 355.290 4.746 0 40 FJAB COc1ccc(C(C)=O)cc1COc1cc2oc(=O)cc(C)c2cc1Cl 6365542 VSSVIDFHHZMFRY-UHFFFAOYSA-N 372.804 4.545 0 40 FJAB Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)ccc1Br 6571280 CRVUZAKPPLUXGQ-UHFFFAOYSA-N 360.038 4.712 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccsc2)cc1 6679093 VRQFTEPZQBVHHR-SUMWQHHRSA-N 369.515 4.714 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccc(F)cc1)Cc1ccco1 6747546 GNKKDQXXLHFKLD-UHFFFAOYSA-N 353.393 4.660 0 40 FJAB Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 6789415 OVEYHQJRXTZYKC-UHFFFAOYSA-N 356.878 4.631 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(Cl)cc2)o1 7898913 ZCZJTXZXARVFEX-UHFFFAOYSA-N 364.832 4.940 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 8041254 XSJHVUADJVZGQD-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8041422 XPJDRFKIZNZIGI-JTQLQIEISA-N 373.758 4.773 0 40 FJAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc(F)c1 8071618 CSUAQEICLRUFMX-UHFFFAOYSA-N 374.209 4.778 0 40 FJAB CN(Cc1ccsc1)C(=O)COc1ccc2oc3ccccc3c2c1 8099448 RRQDJFOEPLMISD-UHFFFAOYSA-N 351.427 4.685 0 40 FJAB Cc1nc2ccc(NC(=O)/C=C/c3c(Cl)nc4ccccn34)cc2s1 8351631 WTMWODJOBPUKPF-BQYQJAHWSA-N 368.849 4.558 0 40 FJAB CC[C@@H](C)c1ccc(Cn2c([C@H]3CC(=O)N(C)C3)nc3ccccc32)cc1 8845093 GDSRWHOJGFGLER-APWZRJJASA-N 361.489 4.544 0 40 FJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1cccs1)C2 9938825 AOLPYLYMAXSVNZ-LBPRGKRZSA-N 365.483 4.765 0 40 FJAB O=C(Cc1cccs1)N(Cc1ccco1)c1nc2ccccc2s1 10060766 ZMJSFQSDJBFWDX-UHFFFAOYSA-N 354.456 4.727 0 40 FJAB CSc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccccc1 10254497 UXAXEIZKQIEWDW-UHFFFAOYSA-N 354.475 4.661 0 40 FJAB Cc1ccc(CN(C(=O)COc2cccc(Cl)c2)c2ccccn2)cc1 11915031 BQJKRQAATORANQ-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB c1cncc(-c2nc(NCc3cccs3)ncc2-c2cccs2)c1 12251479 UBHDWJPYSXECJQ-UHFFFAOYSA-N 350.472 4.941 0 40 FJAB CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc2ccccc2s1 12894692 ZOKOXJQXYIACAK-UHFFFAOYSA-N 369.471 4.608 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)c1nc(Cl)ccc1Cl 14077543 GXTAOOKQGAKHOX-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Cl 14258173 ZJBVYNRUNOPLEH-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1C 14609395 ZSDUGTJYBGENAD-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665189 SMGJHXGQYPGZQO-HNNXBMFYSA-N 369.461 4.567 0 40 FJAB O=C(CNc1ccc(F)cc1Cl)NC(c1ccccc1)c1ccccc1 15345906 XSSSPBRLKTUCMP-UHFFFAOYSA-N 368.839 4.797 0 40 FJAB Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(O)c2)C12CCCC2 15636755 HYMKNIDZEGNDCI-UHFFFAOYSA-N 365.502 4.937 0 40 FJAB Fc1ccc(/N=c2\scc(-c3ccccc3F)n2C[C@H]2CCCO2)cc1 15978020 VPODHYLLGHUTSJ-LTRAUPRXSA-N 372.440 4.906 0 40 FJAB O=C(Nc1ccccc1)O[C@H]1CCCC[C@H]1OC(=O)Nc1ccccc1 16972698 WHRUJUFRBGPAQV-HDICACEKSA-N 354.406 4.795 0 40 FJAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)c(Cl)c1 21633498 OVPJYJJVKPAHOQ-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N[C@@H]1CCOc2ccccc21 24865920 IUOVNNMGAZQFEC-QZEKMECESA-N 364.832 4.541 0 40 FJAB Cc1ccc(CN(C(=O)Cc2csc(-c3ccsc3)n2)C2CC2)cc1 25293232 VTCRKEJGUCKWHM-UHFFFAOYSA-N 368.527 4.914 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 25439351 LBXMODUJSZVPEF-UHFFFAOYSA-N 363.388 4.860 0 40 FJAB Cc1csc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)n1 30579567 KVRMPIPSGTWLEU-UHFFFAOYSA-N 360.870 4.666 0 40 FJAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OC 32115022 YFORQAQLHPBUPA-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB COC(=O)c1c(NC(=O)c2oc3c(F)cccc3c2C)sc(C)c1C 32718842 ZBMSAJYZIBSKAL-UHFFFAOYSA-N 361.394 4.598 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3ccccc3c2)c1 33040087 DFSUTMWSMXJEAI-HOTGVXAUSA-N 360.457 4.720 0 40 FJAB O=C(Nc1ccccc1-c1cccs1)[C@H]1CC(c2cccc(F)c2)=NO1 33163276 UJLRZALYVCFHSA-GOSISDBHSA-N 366.417 4.686 0 40 FJAB Cc1cc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc2cc1C 35312060 RRJTWXKZZCNFSM-UHFFFAOYSA-N 353.491 4.521 0 40 FJAB CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OC 36815671 XLPRPBDEJJVGJA-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 38566830 IRXRZFUJEFRDMQ-CQSZACIVSA-N 364.367 4.735 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 38856094 APPGOWJQSGFYEY-IBGZPJMESA-N 354.469 4.602 0 40 FJAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 44934014 HCANGIHHYOOZER-MAUKXSAKSA-N 374.887 4.569 0 40 FJAB CC(C)[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57529539 LKOPIZBVRYUGLP-WOJBJXKFSA-N 356.897 4.647 0 40 FJAB CC[C@@H](NC(=O)Nc1cccc2cccnc12)c1nc(-c2ccccc2)c[nH]1 58158090 ZTVJYXYURBUVGO-QGZVFWFLSA-N 371.444 4.898 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1 71844232 OIOIIDGGHNRQAP-IFMALSPDSA-N 364.489 4.752 0 40 FJAB Nc1ccc2oc(-c3ccc(Br)cc3Br)nc2c1 73638101 JMIWXNCBPBAIOB-UHFFFAOYSA-N 368.028 4.602 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)o1 95350878 UENNAMFBZPTYIU-YPMHNXCESA-N 372.490 4.586 0 40 FJAB CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCO1 95991274 JYPBBFXRSYRXTA-DLBZAZTESA-N 370.468 4.575 0 40 FJAB CCOc1cccc(NC(=O)c2csc(-c3ncccc3Cl)n2)c1 154235698 UXNQWEJBCWGWFW-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB CCCOc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 218980394 WVFPNKSGOVNZON-UHFFFAOYSA-N 363.910 4.792 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OC)c(C)c1 222795987 QBOMPXQQNYROPV-GOSISDBHSA-N 361.482 4.643 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(Cl)cc1 222964126 PDIQYTGVTRKTFB-LJQANCHMSA-N 359.897 4.863 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 222980930 DPBLEGIDAALANQ-QHCPKHFHSA-N 365.517 4.942 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1 223737100 NVSQFRQLFLMUQK-UHFFFAOYSA-N 365.517 4.991 0 40 FJAB CCCCOCc1cc(C(=O)Nc2ccccc2OCC)ccc1OC 224438534 SQIYFVMJZAHYLO-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 224856818 UVDYVWXKGSMVOX-UHFFFAOYSA-N 364.445 4.928 0 40 FJAB CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225677393 XPACRVRWYTWVFA-GOSISDBHSA-N 370.518 4.983 0 40 FJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N(C)c2ccc(C)c(C)c2)n1 225916565 OVJIHSAWEXVQQH-UHFFFAOYSA-N 360.461 4.730 0 40 FJAB CCN1Cc2ccccc2OC2(CCC(N(C)C[C@@H]3CC=CCC3)CC2)C1 257245176 IOJHWJJEEJAVOC-CKQIISDPSA-N 368.565 4.870 0 40 FJAB O=C(CSCc1ccccc1Br)NC1CCCCCCC1 408562626 DJODDMQBMBRAAB-UHFFFAOYSA-N 370.356 4.911 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccccc2)cc1 408697026 DSDHUORFDVCQPK-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)n1cnc2ccccc21 408734143 LZGJFHWPFZUYAQ-FQEVSTJZSA-N 361.832 4.918 0 40 FJAB C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccccc4)cc3cc21 575473309 XOJAPIHESGLECA-AWEZNQCLSA-N 361.441 4.746 0 40 FJAB CCOc1ccc2cc3c(N)c(C(=O)c4ccc(C)cc4)sc3nc2c1 891644 DGTXNCAFFWYCHM-UHFFFAOYSA-N 362.454 4.970 0 40 FJAB Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1ccccc1 1447969 NZZHBBWIOYTNLN-UHFFFAOYSA-N 356.377 4.988 0 40 FJAB biogenic COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 2621574 JYGZGSCKXHJBHH-NSHDSACASA-N 354.233 4.716 0 40 FJAB COc1ccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c(OC)c1 2713903 XWHFYIMBKACTGI-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB Cc1cc(O[C@H]2OCCO[C@@H]2Oc2ccc(Cl)c(C)c2)ccc1Cl 3171921 KGNARJIRQANLBD-QZTJIDSGSA-N 369.244 4.767 0 40 FJAB CCc1ccc(Nc2nnc(SCC(=O)c3cccs3)s2)cc1 3461543 WDWOGONXWYNVCJ-UHFFFAOYSA-N 361.517 4.881 0 40 FJAB CC(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 4162540 BNIKYLYRCISGOW-UHFFFAOYSA-N 354.381 4.809 0 40 FJAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(Cl)cc3)nnc12 4169403 WVTSSCXGAONZSN-ORAYPTAESA-N 373.909 4.675 0 40 FJAB CCOC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 4353842 NMZLKZSNHOYOMW-UHFFFAOYSA-N 352.390 4.870 0 40 FJAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(Cl)cc1Cl 4589239 YTKJIEOKWXJWLM-AUWJEWJLSA-N 352.604 4.991 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(C(C)=O)cc1 4849220 CVSYRFWFXQYFFG-UHFFFAOYSA-N 364.470 4.731 0 40 FJAB Cc1cccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 4885421 DIHQVQYEKBPILE-UHFFFAOYSA-N 369.896 4.874 0 40 FJAB Cc1ccc([C@H](CC(=O)Nc2nccs2)[C@H]2CCOC(C)(C)C2)cc1 5346052 OKWHBDDJFRHMSN-IRXDYDNUSA-N 358.507 4.769 0 40 FJAB Cc1ccc(C2=NN[C@@](CC(=O)c3ccccc3)(C(F)(F)F)S2)cc1 5745644 MRRGIPRQIMEUOM-QGZVFWFLSA-N 364.392 4.525 0 40 FJAB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(Cl)cc2)c(C)c1 5860247 KBSYVQMQNSNGQJ-UHFFFAOYSA-N 359.853 4.841 0 40 FJAB O=C(/C=C/c1nc2ccccc2s1)OCCCC(=O)c1ccc(F)cc1 6175486 KRLFUVHTIJPSIV-VAWYXSNFSA-N 369.417 4.655 0 40 FJAB Cc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)o1 6587212 UMSSNMQAUHGYCC-UHFFFAOYSA-N 350.802 4.685 0 40 FJAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc2ccccc2oc1=O 6829872 ZBFLVIDTVGWICU-UHFFFAOYSA-N 355.349 4.945 0 40 FJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Br)s1 6881976 RJZGFSLFQALIHZ-UHFFFAOYSA-N 357.229 4.512 0 40 FJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1ccc(C)cc1 6922840 MRYHAXJYGJIWLN-YFNKSVMNSA-N 365.517 4.872 0 40 FJAB biogenic CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(C)=O)cc1 6956305 KMPQZYNFBBWWOS-UHFFFAOYSA-N 366.244 4.723 0 40 FJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc(Cl)cc1 7427781 XRFJUQOMVZQCOR-SNVBAGLBSA-N 362.813 4.893 0 40 FJAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1c[nH]c2ccccc12 7509331 NBSCBTOLHZNAPF-UHFFFAOYSA-N 352.777 4.833 0 40 FJAB COc1ccc(CNCc2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1 7539687 ZIRBKVYORDZXIY-UHFFFAOYSA-N 357.837 4.907 0 40 FJAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)c(F)c3)o2)c1 7775910 BOYPTVMRDRPHDC-CYBMUJFWSA-N 371.437 4.612 0 40 FJAB Cc1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1 8298357 QSRTXVZWIYPPFA-UHFFFAOYSA-N 351.294 4.928 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl 8560813 ZDHZEDOMUYSMKG-UHFFFAOYSA-N 361.825 4.556 0 40 FJAB CCc1ccc2oc(C(=O)Nc3nc4ccc(C)cc4s3)cc(=O)c2c1 9194577 UOZNAPMGGNAWMY-UHFFFAOYSA-N 364.426 4.526 0 40 FJAB Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 10030867 LAKWVWRRCIRZJT-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB Cc1ccc(OCC(=O)N[C@@H](c2cccs2)C(C)C)c2c1[C@H](C)CC2=O 11052949 RDOYMGYYTNQITL-SPLOXXLWSA-N 371.502 4.639 0 40 FJAB O=C(O)c1ccc(OCCOc2ccc(Oc3ccccc3)cc2)cc1 11891771 CYKLYHQOCRQIOL-UHFFFAOYSA-N 350.370 4.635 0 40 FJAB CCOc1ccccc1NC(=O)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 12412494 DZBNRLJJOLPANB-PINPELIHSA-N 368.304 4.880 0 40 FJAB C[C@H]1Oc2c(C(=O)Nc3ccc(N4CCCCC4)cc3)cccc2[C@H]1C 12623754 YAPULLWRZLEIFG-JKSUJKDBSA-N 350.462 4.814 0 40 FJAB Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccccc1Cl)C3 13563797 VPCRENYXBAFNEY-UHFFFAOYSA-N 366.892 4.942 0 40 FJAB COCCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1 13809725 ZMKCSCILSBTSGY-XDOYNYLZSA-N 372.465 4.633 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CCC2CCCCC2)cc1 15355154 JJLATRRMXUTFBI-UHFFFAOYSA-N 373.493 4.758 0 40 FJAB Cc1ccc2c(CC(=O)N[C@H]3CCSc4c(F)cccc43)coc2c1 16300685 YRASTHULCGBMBE-KRWDZBQOSA-N 355.434 4.776 0 40 FJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cccs4)C3)cc2c1C 19582676 UVRLRSHEDGDSJV-MRXNPFEDSA-N 366.486 4.633 0 40 FJAB CCCn1nc(C)c(-c2cncn2C[C@H](C)Oc2ccccc2Cl)c1C 19654540 IHAYEPOSQPLDQS-AWEZNQCLSA-N 372.900 4.894 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC 20492777 USQOOIFNORNRNH-QGZVFWFLSA-N 365.882 4.867 0 40 FJAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1-c1ccccc1 22706904 HWURQRIPKZKTKI-UHFFFAOYSA-N 362.429 4.817 0 40 FJAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2ccccc12 23247758 BMCBLHUPAOEDFM-QHCPKHFHSA-N 359.517 4.721 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C)c1ccc(C)cc1 24776962 INUAUAZCCPGSJT-FUHWJXTLSA-N 365.473 4.640 0 40 FJAB CCOCCCNCc1cn(Cc2ccccc2Cl)c2ccccc12 28428077 YRXPLSDUQYXZQW-UHFFFAOYSA-N 356.897 4.859 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 30877050 XZVAURHWWHHTJD-UHFFFAOYSA-N 370.836 4.738 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CCc4ccccc43)c12 30980403 VIZGNLZCSHAOEZ-GOSISDBHSA-N 373.412 4.551 0 40 FJAB Cc1ccc(NC(=O)/C=C/c2ccc(Br)o2)c2cccnc12 31091822 CLRYCXBNWABDNS-RMKNXTFCSA-N 357.207 4.551 0 40 FJAB COc1ccccc1-c1cc(C(=O)Nc2ccc3nc(C)sc3c2)no1 40087402 SQNDGXHXUYNPBN-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB COc1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC(F)F 43994309 ACJGLMULDPZXKN-UHFFFAOYSA-N 370.783 4.614 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2F)cc(C)c1OCc1cccnc1 45763136 AFCRBPQYZAUSAU-UHFFFAOYSA-N 350.393 4.669 0 40 FJAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(C)cc1)C3 55396249 GXCGOEVQSBIDSX-UHFFFAOYSA-N 363.457 4.633 0 40 FJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1)CO3 58088548 PEILJJZQPHSRGM-UHFFFAOYSA-N 363.457 4.796 0 40 FJAB biogenic Cc1ccc(-c2nnc(Cc3nc(-c4cccc(Cl)c4)no3)o2)cc1C 65185473 MNQMUYRSHWAQJK-UHFFFAOYSA-N 366.808 4.648 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c(C)c1 67295373 QBNSBKXDQNMFEL-BZZOAKBMSA-N 372.424 4.805 0 40 FJAB CC(C)(C)c1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1 71260583 IXKXWQYJJMEUDY-UHFFFAOYSA-N 369.538 4.526 0 40 FJAB COc1cccc(-c2nccnc2[C@@H]2CCCN(CCc3ccccc3)C2)c1 72358515 SYDDHUZZHKNJNO-OAQYLSRUSA-N 373.500 4.574 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CCN(Cc4ccc5ncccc5c4)C3)n2)cc1 72369987 LUGNKUKZEGHLOB-HXUWFJFHSA-N 370.456 4.583 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(C=Cc3cccc(Br)c32)CC1 91302753 YUMZUCJOAFXZSF-UHFFFAOYSA-N 364.283 4.745 0 40 FJAB CCCCOc1ccc(NC(=O)NC[C@H](OC)c2cccc(F)c2)cc1 96388903 FUVJLZMQWSKOBP-IBGZPJMESA-N 360.429 4.514 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl 96586412 BXHXAEJPBYCFFP-CYBMUJFWSA-N 359.853 4.633 0 40 FJAB CN(C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1 100985551 KYWUBPZCFFVMEZ-QAQJPARQSA-N 362.311 4.773 0 40 FJAB CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1CC31OCCO1 119222883 ANVUQRJIXAVQDA-FAWMDMTCSA-N 360.538 4.977 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(C)cc1 216421049 LEDIXXOUMLKRSV-NRFANRHFSA-N 371.546 4.819 0 40 FJAB CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219650400 MANAUYPGMZGKDH-QGZVFWFLSA-N 371.502 4.839 0 40 FJAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1cccc2ccccc12 224298306 KNVVRDBOCXDWPO-UHFFFAOYSA-N 363.457 4.956 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1snnc1-c1ccc(F)cc1 225779778 YIRXRWZEUBRTNU-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2cccnc12 225890576 CLFOQVKGBKGXIY-KSFYIVLOSA-N 370.493 4.948 0 40 FJAB Cc1c(NC(=S)NC(=O)C(C)C)cccc1-c1nc2ccccc2s1 408624467 UJIHLEKGDBYQIA-UHFFFAOYSA-N 369.515 4.741 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)c1c(C)noc1C 585146036 ABLKVJRXMQJISU-JTQLQIEISA-N 370.371 4.841 0 40 FJAB COC1(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CCCCC1 622594693 ZGGIHRGEYHTNJO-INIZCTEOSA-N 369.427 4.761 0 40 FJAB Cc1cc(C)c(OCC(=O)N2CCc3cc(C(C)(C)C)ccc32)c(C)c1 1128240201 ZAXJCEAQXBAQGK-UHFFFAOYSA-N 351.490 4.877 0 40 FJAB Cc1ccccc1C[C@H](C)NC(=O)CN[C@H](CC(C)C)c1ccccc1C 1616786128 DUMIONSQIMGCQK-NZQKXSOJSA-N 366.549 4.728 0 40 FJAB Cc1ccc(CCC(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)cc1Cl 1617775595 FZXFOQGDYAPPMJ-HYFFOGBASA-N 371.908 4.958 0 40 FJAB CCC[C@H]1CCc2nc(NC(=O)Nc3ccc(NC(C)=O)cc3)sc2C1 1624179832 NRRUJPZFNMQZLI-ZDUSSCGKSA-N 372.494 4.651 0 40 FJAB Fc1cccc(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn23)c1 633134 CUURKOJPENMBLQ-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB Cc1ccccc1OC(=O)c1cc(Br)ccc1Br 683265 MHXANAOHWKDWGI-UHFFFAOYSA-N 370.040 4.739 0 40 FJAB CCCN(C(=O)c1cccc(C)c1)c1nnc(-c2ccccc2C)s1 1345290 SNKQJYNXPYXUFF-UHFFFAOYSA-N 351.475 4.879 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)cc2)c1 3958968 KQJADTPOKCJZEV-UHFFFAOYSA-N 362.267 4.898 0 40 FJAB CCCCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033355 DLBVHZWSWUWLIL-GOSISDBHSA-N 361.489 4.974 0 40 FJAB CCOC(=O)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 4162583 FSCJRNJTFHZQOM-UHFFFAOYSA-N 367.445 4.764 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCC1 4746908 NWTACPNAGANDCH-UHFFFAOYSA-N 365.260 4.611 0 40 FJAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cccnc4)cc(C)c3O)nc2c1 4988463 HPJZDZOIKLZEEY-UHFFFAOYSA-N 373.412 4.773 0 40 FJAB CCOc1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 5498131 KQSSKRCNWCHVIN-UHFFFAOYSA-N 360.413 4.737 0 40 FJAB CN(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)[C@H]1/C=C/c1ccccc1 5549725 LDNPWLLXLIEPKG-HXSWCURESA-N 354.453 4.620 0 40 FJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(Cl)cc1Cl 6349544 ZGBKKHAHYDRNNL-CQSZACIVSA-N 369.273 4.761 0 40 FJAB O=C(CSCc1ccccc1Br)Nc1c(F)cccc1F 6495724 LIUKYBJDTVQKDU-UHFFFAOYSA-N 372.234 4.599 0 40 FJAB Cc1cc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)ccc1Cl 6825967 DKKCQVPYTGLCNM-UHFFFAOYSA-N 367.257 4.929 0 40 FJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1Cc1ccccc1 6889967 OREOJHMZCDUJFL-UHFFFAOYSA-N 357.453 4.784 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1Cc1ccco1 7112564 YMMXECIWZDEVDD-GOSISDBHSA-N 370.355 4.648 0 40 FJAB Cc1ccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1C 7346520 KLEYCUQONCODAB-UHFFFAOYSA-N 358.894 4.702 0 40 FJAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 8039878 SZMGIOIJKBPEKJ-HXUWFJFHSA-N 357.457 4.557 0 40 FJAB Clc1ccc(-c2noc(CN3CCCSc4ccccc43)n2)cc1 8192856 NSBRLMGPIINVTL-UHFFFAOYSA-N 357.866 4.892 0 40 FJAB Cc1nc2cc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)ccc2o1 8428124 QIESRYSJSJRWQA-UHFFFAOYSA-N 367.405 4.580 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)c(C)c1 8496728 QQSHQRNZGOJTHP-HNNXBMFYSA-N 366.230 4.693 0 40 FJAB COc1ccc(C)cc1NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 9314801 PJOLSYWHXPFMHF-GFCCVEGCSA-N 367.276 4.600 0 40 FJAB COc1ccc(SCCC(=O)Nc2ccc3sc(C)nc3c2)cc1 10219553 ROPLOLQWEMNDKX-UHFFFAOYSA-N 358.488 4.734 0 40 FJAB O=C(c1cccc(F)c1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254593 AMQPWMIHTJXBBS-UHFFFAOYSA-N 360.816 4.732 0 40 FJAB CC[C@H](C)Nc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 10768108 PWKQEFXCXCIPKQ-WDEREUQCSA-N 360.508 4.593 0 40 FJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 12894176 MNVMQXWYRDXZCP-UHFFFAOYSA-N 365.339 4.729 0 40 FJAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 12995090 DRKODLMQGJSILO-IBGZPJMESA-N 364.533 4.972 0 40 FJAB Clc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 14250993 IKBSEBXVJZKFRI-UHFFFAOYSA-N 369.921 4.708 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(Br)s1 15597886 NMZGHWISCAYKLS-ZKQHCESOSA-N 350.281 4.743 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 16967288 STMUIMHRAJBOFC-WOJBJXKFSA-N 365.477 4.624 0 40 FJAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2ccc(Cl)cc12 17295936 NJMBPGURWVVICK-UHFFFAOYSA-N 352.821 4.848 0 40 FJAB C[C@H]1CCC[C@@H](C)N1Cc1nc(-c2cccnc2OC2CCCCC2)no1 19496084 VIVGZCFEEOYASN-IYBDPMFKSA-N 370.497 4.606 0 40 FJAB Oc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c(O)c1 21908660 OTARTIYDWHUCLK-UHFFFAOYSA-N 352.337 4.984 0 40 FJAB COc1ccc(N(Cc2ccco2)C(=O)/C=C/c2ccc(F)cc2)cc1 27795713 NPDHSHOTGDOKBG-AWNIVKPZSA-N 351.377 4.674 0 40 FJAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)C(C)C 32106718 CDKDGKLPJNVQEI-UHFFFAOYSA-N 371.506 4.623 0 40 FJAB C[C@H](NC(=O)c1sc2ncccc2c1-n1cccc1)c1ccc(F)cc1 33298001 BSQOXHSUXIXTRR-ZDUSSCGKSA-N 365.433 4.717 0 40 FJAB Cc1cc(C(=O)COC(=O)/C=C/c2nc3ccccc3o2)c(C)c(C)c1C 36778934 XIYISCLCYSKOHQ-MDZDMXLPSA-N 363.413 4.501 0 40 FJAB N#C[C@H]1c2ccccc2C=CN1C(=O)C(c1ccccc1)c1ccccc1 38337897 HAYFTCZYWCRTED-QFIPXVFZSA-N 350.421 4.896 0 40 FJAB Cc1ccc(CCC(=O)N(Cc2cccnc2)Cc2ccco2)cc1Cl 40050526 ZVLQBAASRCOHNJ-UHFFFAOYSA-N 368.864 4.798 0 40 FJAB O=C(Nc1ccccn1)C1CCN(C2c3ccccc3-c3ccccc32)CC1 52828479 ZJRGGJSRYUVHDM-UHFFFAOYSA-N 369.468 4.502 0 40 FJAB O=C(Nc1cccc(-c2nccs2)c1)N1CCC[C@H]1c1ccncc1 56777956 SHKWTWHORPDPFT-KRWDZBQOSA-N 350.447 4.574 0 40 FJAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccc(C)o2)CC3)cc1 96047259 ZNAPKSZXXVCFQG-UHFFFAOYSA-N 352.522 4.775 0 40 FJAB COc1cccc(NC(=O)NCc2ccccc2-c2ccsc2)c1OC 96383477 BUNJLZLSOLGRSA-UHFFFAOYSA-N 368.458 4.754 0 40 FJAB Fc1ccc(/N=c2/scc(-c3ccccc3F)n2C[C@@H]2CCCO2)cc1 102962662 VPODHYLLGHUTSJ-AEKNLGIRSA-N 372.440 4.906 0 40 FJAB COc1cc(Br)c2[nH]c(Cc3ccc(Cl)cc3)nc2c1 216912374 XKMCTLBZDRVMSX-UHFFFAOYSA-N 351.631 4.578 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 222955062 WEFJKUTWRKTCSZ-UXHICEINSA-N 368.550 4.607 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1cccc(C)c1 222981691 FOTBJFVKHYPZQI-NRFANRHFSA-N 371.546 4.819 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 223412853 LKFYFLRPVYNBEH-KRWDZBQOSA-N 362.498 4.933 0 40 FJAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CC(C)C)C3)c2)c1 257215475 CQGIWNDCOMUTIZ-KRWDZBQOSA-N 367.493 4.504 0 40 FJAB COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1C 409330407 AEHIZGSVJSKQJZ-SXGWCWSVSA-N 359.834 4.898 0 40 FJAB Cc1ccccc1CNc1ccccc1NC(=O)c1cnn2c1C[C@H](C)CC2 570217961 ZAYXXVDLXOJQLT-MRXNPFEDSA-N 374.488 4.638 0 40 FJAB Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)c2ccc(C(F)F)nc2)cc1 657904491 TVEHFKNABFMWTK-ZIAGYGMSSA-N 356.420 4.925 0 40 FJAB Fc1ccccc1-c1nnc(-c2cncc(-c3ccc4c(c3)CCO4)c2)o1 1117170982 QVKLTIQFPRCPMR-UHFFFAOYSA-N 359.360 4.540 0 40 FJAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OC 687658 STRXECVLIUZAQN-UHFFFAOYSA-N 350.237 4.743 0 40 FJAB COc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1Br 1266063 OZFOTWVDNFSEJM-UHFFFAOYSA-N 369.284 4.566 0 40 FJAB O=C(O)c1ccc(CSc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1 1329784 HGPMFZMUPCRRCY-UHFFFAOYSA-N 361.426 4.615 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)c(C)c1 2184779 ZWQMDLFJERANKU-AWEZNQCLSA-N 369.486 4.975 0 40 FJAB COc1ccccc1-n1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2253872 DWKYCKNGSTUWFW-UHFFFAOYSA-N 372.468 4.666 0 40 FJAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1cccc(F)c1 2687010 FAWDAJWNSMVSRR-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB COc1ccc(NC(=S)N2CCS[C@H]2c2cccs2)cc1Cl 2727626 UVCLJPHIEWZRBV-AWEZNQCLSA-N 370.952 4.855 0 40 FJAB Cc1nn(-c2ccccc2)c(N)c1Sc1ccc(Br)cc1 3191897 SYQFTMKEANLLSI-UHFFFAOYSA-N 360.280 4.677 0 40 FJAB CCc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1 3253996 XANURJJCTVHZCB-UHFFFAOYSA-N 362.458 4.605 0 40 FJAB CCC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 3349524 OKLVZNNQROXZCA-UHFFFAOYSA-N 373.452 4.892 0 40 FJAB CCc1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)cc1 4372235 LNQYPOAKLQUHLJ-UHFFFAOYSA-N 353.491 4.529 0 40 FJAB CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 4496632 YCZRQKUSPKTDAX-UHFFFAOYSA-N 368.483 4.744 0 40 FJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1Cl 4957075 UKGDYWXEMNLSBJ-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CC1=C(/C=C/[C@@H](O)CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)CCC1 5456999 IIIWMUPWTIFDSH-XUIVZRPNSA-N 360.338 4.676 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)NCc1ccccc1Cl 5679146 KCMGIUHALGQJGM-UHFFFAOYSA-N 351.833 4.702 0 40 FJAB CCCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 6778038 PGEAHOCNAYKONU-UHFFFAOYSA-N 370.836 4.659 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cc(C)cc(C)c2)C(=S)N1 8023633 MBHQAUMFTMMZFO-WIYYLYMNSA-N 352.503 4.800 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)NC(c1ccccc1)c1ccccc1 8480672 UYBHYGJBVIDENW-FQEVSTJZSA-N 363.432 4.889 0 40 FJAB CSc1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 9112934 MMBMJPYWILYNFR-LDWCXNJISA-N 354.566 4.526 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 9950088 YDYDPHHNLAMWJX-OAQYLSRUSA-N 373.408 4.508 0 40 FJAB COc1ccc(C(C)=O)cc1CSCc1nc(-c2ccc(C)cc2)no1 10948705 RCBXBTXNOIUIQH-UHFFFAOYSA-N 368.458 4.690 0 40 FJAB COc1ccccc1C1(NCc2c[nH]nc2-c2cccs2)CCCC1 12147583 IWIXYRXFXWGTGK-UHFFFAOYSA-N 353.491 4.706 0 40 FJAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cn(C)c4ccccc34)oc12 12537499 OJWIGPIZWIKHHX-CQSZACIVSA-N 362.429 4.814 0 40 FJAB COc1ccc(CN(C(=O)c2csc(-c3cccs3)n2)C2CC2)cc1 12599078 ZKEXDAMQUZKORR-UHFFFAOYSA-N 370.499 4.685 0 40 FJAB CCC[C@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C)c1ccccc1 12727385 NOSYVAQHSYEJFG-WMZOPIPTSA-N 365.473 4.721 0 40 FJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 12790236 CGAOBBWWBSQIDO-KPKJPENVSA-N 362.429 4.613 0 40 FJAB COc1ccc(-c2nn(-c3ccccc3)c3nc(Cl)c(C=O)cc23)cc1 13535837 MZEXHWGMMIQIMP-UHFFFAOYSA-N 363.804 4.562 0 40 FJAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 14428241 PNWYHFRRTRLOLD-NSHDSACASA-N 366.280 4.577 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br 16027611 FQFZBJFPLMJJRQ-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc2ccccc2c1 17076281 IICFPXLMBJHJHA-UHFFFAOYSA-N 372.449 4.825 0 40 FJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)c1 20029797 LPCOWDFLKJNCRA-UHFFFAOYSA-N 361.360 4.571 0 40 FJAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cnc2ccccc2c1 21136582 TYKJSENPJZCNAT-UHFFFAOYSA-N 354.409 4.990 0 40 FJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)Nc3cccc(Cl)c3)cc21 22502683 HTUXOLMRCYDAAM-UHFFFAOYSA-N 371.868 4.919 0 40 FJAB O=C(Nc1ccc(Br)c2cccnc12)[C@@H]1C[C@H]1c1ccccc1 27930469 RHLHUZHAGZEMBR-LSDHHAIUSA-N 367.246 4.740 0 40 FJAB COc1ccc(-c2noc(-c3cccnc3NCc3ccc(C)cc3)n2)cc1 33004394 HBPXSSUFFHLYTH-UHFFFAOYSA-N 372.428 4.728 0 40 FJAB CC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(F)cc1F 38678896 LBTDSFAEALHURI-UHFFFAOYSA-N 372.396 4.904 0 40 FJAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Oc2ccccc2)cc1 44886353 XURSLOMFRIZPIY-UHFFFAOYSA-N 361.369 4.558 0 40 FJAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 44902243 NIVIHSMZMAQHLE-FQEVSTJZSA-N 355.478 4.639 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cc2ccncc2)cc1 45126915 IZMRLCGWUGNQOR-OAHLLOKOSA-N 366.848 4.732 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1Cl)CO3 54278202 USMLPJQQIFSSRP-UHFFFAOYSA-N 369.848 4.669 0 40 FJAB biogenic Cc1nc(C2CC2)nc2sc(C(=O)N(C)c3ccc(F)cc3)c(C)c12 55750973 ZXNMQIGNLSKGDG-UHFFFAOYSA-N 355.438 4.601 0 40 FJAB C[C@H]1C[C@H](C)CN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 84686331 PSDUDXVPEIIHAG-KBPBESRZSA-N 367.415 4.666 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccccc2Br)C1 89212664 QGHUWIPYGXNQNN-CYBMUJFWSA-N 369.303 4.508 0 40 FJAB Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](c1ncccc1C)C(C)C)CCC2 115841453 DYCGJDBGFPLMLX-IRXDYDNUSA-N 372.538 4.571 0 40 FJAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 219201021 LXHVHPJBDCWLAM-INIZCTEOSA-N 364.489 4.602 0 40 FJAB C[C@H](NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1 222608812 FBCOGUBFZMBDHM-LBPRGKRZSA-N 372.255 4.941 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222978217 IGCITRZYQQJTDH-VGSWGCGISA-N 351.490 4.909 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCOc1cccc2ccccc12 223552907 FDDRWHQORDTXMO-UHFFFAOYSA-N 371.436 4.810 0 40 FJAB CCc1nc2ccc(NC(=S)NCc3ccccc3Cl)cc2s1 225206762 JEWJKRNZOOOZHQ-UHFFFAOYSA-N 361.923 4.999 0 40 FJAB Nc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(Cl)c1 226343705 PSDFTABJKULORR-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 408701143 SDLFXMRBGLXCFH-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB COc1ccc(/C=C(/C(=O)N(C)Cc2ccccc2)c2ccccc2)cc1 408921302 FXUZSVYAXAVDSO-HAVVHWLPSA-N 357.453 4.894 0 40 FJAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409136281 SZKZVZJCQFBGPC-MHWRWJLKSA-N 365.882 4.965 0 40 FJAB Cc1csc(C2(NC(=O)Nc3ccc([C@H]4CCOC4)cc3)CCCC2)n1 569430637 NKTJSBPMTICCRA-INIZCTEOSA-N 371.506 4.546 0 40 FJAB C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1OC(C)(C)OC1(C)C 1077996375 AECCGECAEDOGOS-QZEGLACASA-N 372.461 4.828 0 40 FJAB biogenic Cc1ccc(CN2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)nc1 2037988982 PVRHKJAXTVMFLL-QFIPXVFZSA-N 353.485 4.553 0 40 FJAB O=C(/C=C/c1cccs1)Nc1scc(-c2ccccc2)c1C(=O)O 934495 BTURFDFZCYITAI-CMDGGOBGSA-N 355.440 4.827 0 40 FJAB COc1ccc2c(c1)[C@@H](C1C(=O)CC(C)(C)CC1=O)c1ccccc1O2 936847 JFLHMRYQEIJRHB-FQEVSTJZSA-N 350.414 4.507 0 40 FJAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 1299301 HYHKRRCIDRBDSU-UHFFFAOYSA-N 356.425 4.678 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1C 1416350 QQDZJQGKJVISEK-PDGQHHTCSA-N 368.527 4.775 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3)sc2c1 2137074 KLFJSJWKLKGLIU-UHFFFAOYSA-N 369.515 4.741 0 40 FJAB Clc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 2362751 MWPSZYSVSBVMIA-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB O=C(COc1cccc2cccnc12)NC(c1ccccc1)c1ccccc1 2618229 AYYLVHBJXWSEDH-UHFFFAOYSA-N 368.436 4.519 0 40 FJAB COc1cccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)c1 2749748 GQUBEFVJIMCHLG-UHFFFAOYSA-N 374.465 4.902 0 40 FJAB COc1ccc(-c2c3c(nc4sc(C(C)=O)c(N)c24)CCCC3)cc1 4074905 YRTGRTPUCFMWLP-UHFFFAOYSA-N 352.459 4.636 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]32)C1 4104860 SCNWNOJSZNDWCA-QNEXQYMPSA-N 362.510 4.662 0 40 FJAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)C1 4302250 ROWKXAAHFUHOGZ-DZKIICNBSA-N 369.896 4.525 0 40 FJAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c(C)c1 4555067 NOLGDLDKOPFASS-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB CCOc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1ccc(C)c2C 4911718 XPMOVAKPKNSGAT-OAHLLOKOSA-N 374.278 4.939 0 40 FJAB Cc1nnc2n1N=C(c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CS2 5000424 PUEMNBNDIVEBBO-UHFFFAOYSA-N 365.245 4.511 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C)c(C)n2CC(C)C)c(Cl)c1 5151926 YWIIOXXNTPHITN-UHFFFAOYSA-N 365.930 4.849 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1ccccc1Br 5679129 KFJYQNROAOYZJP-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB O=C(CSCCCCSCC(=O)c1ccccc1)c1ccccc1 6474583 VMLODBDOHJQQLE-UHFFFAOYSA-N 358.528 4.999 0 40 FJAB O=C(Nc1nonc1-c1ccc(F)cc1)c1sc2ccccc2c1Cl 6662215 CKHOTZRBIXBDST-UHFFFAOYSA-N 373.796 4.996 0 40 FJAB C[C@H](OC(=O)c1cc2ccccc2cc1O)c1nnc(-c2cccs2)o1 6840658 PHYRXKAEYWMAER-NSHDSACASA-N 366.398 4.575 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CSc1cc(Cl)ccc1Cl 6851246 IOSCCQSYXMBVIK-NSHDSACASA-N 370.301 4.972 0 40 FJAB CN(CC(=O)Nc1cccc2ccccc12)Cc1nc2ccccc2s1 7688888 SYTPXBGGRXDKQI-UHFFFAOYSA-N 361.470 4.520 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)Cc2coc3cc(C)ccc23)c1 7990747 CFYLTJWXIXTVPX-UHFFFAOYSA-N 353.418 4.720 0 40 FJAB Cc1nc(CC(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cs1 7996360 MWQJLBWSVFPWCU-UHFFFAOYSA-N 373.503 4.543 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2ccc(CC)cc2)sc2c1CCCC2 10700992 ZAUBOIQDQXZDDK-UHFFFAOYSA-N 371.502 4.547 0 40 FJAB Cn1/c(=N/C(=O)CC(c2ccccc2)c2ccccc2)sc2ccccc21 12550429 XBFFRQOHKLZOGO-VHXPQNKSSA-N 372.493 4.889 0 40 FJAB Cc1ccccc1CN(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12941948 FCPQNTCBVWPSTI-HSZRJFAPSA-N 361.485 4.534 0 40 FJAB CC[C@H](C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 15390143 QVOHFSPXJOWZJN-GJZGRUSLSA-N 357.450 4.623 0 40 FJAB CCCOc1ccc(NC(=O)COc2ccc(Cl)cc2)c2cccnc12 15840913 IXFYMJKWUNGOSO-UHFFFAOYSA-N 370.836 4.695 0 40 FJAB CCCc1nc2ccccc2n1C[C@H](O)COc1cc(C)c(Cl)c(C)c1 16903700 ABCSLJFVDUAARI-INIZCTEOSA-N 372.896 4.699 0 40 FJAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(Nc3ccc(Cl)cc3)ncc21 17246256 XRCUQYGRJBWQNA-ZDUSSCGKSA-N 367.811 4.925 0 40 FJAB Cc1cc(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)no1 19172521 NBUUTCJHQLDZBW-UHFFFAOYSA-N 370.474 4.829 0 40 FJAB Fc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccnc3)on2)cc1 19339154 BKQDBMYLPSAGDU-FQEVSTJZSA-N 351.425 4.993 0 40 FJAB Cc1cccc(CSc2nnc(-c3ccc(Br)cc3)n2C)c1 19853108 HNLNQNLYDRHJJV-UHFFFAOYSA-N 374.307 4.845 0 40 FJAB Cc1cccc(-c2nnc(SCc3nnc(-c4ccc(F)cc4)o3)o2)c1 19927458 LTCJVOJHEXMXDR-UHFFFAOYSA-N 368.393 4.526 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCC(Cc2ccccc2)CC1 20462172 OLGPPFWQZPQNKE-QFIPXVFZSA-N 365.517 4.942 0 40 FJAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccccc2C)cc1Cl 27752121 YYHJLYWJEAGICM-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB Cc1nc2ccc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)cc2nc1C 32753945 MFFNRLGCRJMHEW-HNNXBMFYSA-N 359.429 4.826 0 40 FJAB CN(Cc1ccccc1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 32906697 YONJMWVUGHSHAJ-UHFFFAOYSA-N 372.877 4.648 0 40 FJAB CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C)n(-c2nccs2)c1C 36837630 BIRWDCIQIGZBQA-UHFFFAOYSA-N 367.518 4.911 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(OC(C)C)cc1 38753070 LMCDVHOFFHLHGE-SFHVURJKSA-N 369.505 4.553 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39768049 CEBNDLXCWXCPIN-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB O=C(CNc1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1cccs1 39978270 GUYHJTAOLGZNNY-CQSZACIVSA-N 368.474 4.838 0 40 FJAB CN(Cc1nnc(-c2ccc(F)cc2)o1)CC12CC3CC(CC(C3)C1)C2 40013696 JPEINKUUYJLQMJ-UHFFFAOYSA-N 355.457 4.524 0 40 FJAB Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1 41097599 FYOKHVKZTRFHLH-UHFFFAOYSA-N 362.498 4.686 0 40 FJAB O=C(Nc1ccc2ccccc2n1)c1cccnc1Nc1cccc(F)c1 44907265 ASEJVZRGDGIXOV-UHFFFAOYSA-N 358.376 4.765 0 40 FJAB COc1cccc(C[C@H]2CCCN2Cc2coc(-c3cccs3)n2)c1 48290924 BILMVKJJVDYTNW-QGZVFWFLSA-N 354.475 4.619 0 40 FJAB COc1cc(N)cc2sc(Nc3nc4cc(C(C)C)ccc4o3)nc12 57352682 QMZDUEXJRKOEJU-UHFFFAOYSA-N 354.435 4.895 0 40 FJAB Cc1ccnc(-n2cccc2CN(Cc2ccccc2)Cc2ccncc2)c1 57797070 DNVYIJZDEAENBM-UHFFFAOYSA-N 368.484 4.778 0 40 FJAB Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)cc1C 71978345 YCWMTGWTQCJMSS-UHFFFAOYSA-N 354.251 4.772 0 40 FJAB O=C(N1CCC(CSCc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 85472384 HRYDZQRFPBUDKD-UHFFFAOYSA-N 373.562 4.968 0 40 FJAB CCCN(Cc1ccccc1)C(=O)Nc1nc(-c2ccsc2)ns1 95942270 VHJUTFPJNPGWNJ-UHFFFAOYSA-N 358.492 4.711 0 40 FJAB COc1ccc(Oc2cc(NC(=O)/C=C\c3ccco3)ccc2OC)cc1 98003379 ZYUASQUVBANISY-BENRWUELSA-N 365.385 4.741 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620392 CALUKDBBYZKASQ-SFHVURJKSA-N 371.820 4.579 0 40 FJAB COc1ccc(/C=C(/C(=O)NCc2ccccc2OC)c2ccccc2)cc1 408908118 TZLXKPGAMKYESA-CJLVFECKSA-N 373.452 4.561 0 40 FJAB Cc1ccc([C@H]2C=C(c3ccc(Cl)c(Cl)c3)N=C3N=CNN32)cc1 409061612 YJKSIYCEUJMNMH-QGZVFWFLSA-N 357.244 4.602 0 40 FJAB c1ccc(C[C@H](N[C@H]2CCCn3ccnc32)c2nc3ccccc3s2)cc1 655774531 VOXFIQSLJALOMH-OALUTQOASA-N 374.513 4.901 0 40 FJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)NCCc1ccccc1 932968 UWYDMAQBHATUFS-UHFFFAOYSA-N 364.514 4.611 0 40 FJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)c3ccccc3)C3CCCC3)cc12 1366452 ILOMASWAFFHZAT-UHFFFAOYSA-N 374.484 4.730 0 40 FJAB O=C(Cc1ccc(Br)cc1)c1ccc(Br)cc1 1699467 WYQUUBFEYHCLJR-UHFFFAOYSA-N 354.041 4.637 0 40 FJAB CCN(CC)CCCNc1ncnc2scc(-c3ccc(F)cc3)c12 1832585 LOJPHQUCHILPOX-UHFFFAOYSA-N 358.486 4.641 0 40 FJAB Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 2447726 WTWSSJNWXXUCFO-GOSISDBHSA-N 359.470 4.611 0 40 FJAB CN(C)S(=O)(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C 3184486 QBKCYZIOIZNPKM-UHFFFAOYSA-N 353.572 4.829 0 40 FJAB CCOC(=O)NC(=S)C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1 3223865 CPBNONCUUROKEH-BMRADRMJSA-N 370.518 4.677 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 4033299 JSHVPKPLPXUHBW-SFHVURJKSA-N 361.489 4.974 0 40 FJAB CCOc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1 4086456 QJKNXKOKPBMOOI-UHFFFAOYSA-N 360.385 4.739 0 40 FJAB O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109860 KBYQVIXDHYSRIO-VQHVLOKHSA-N 364.367 4.941 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C)CC3 4147816 YPIHDKMTJNZALF-LBPRGKRZSA-N 373.449 4.806 0 40 FJAB CC[C@@H](C)n1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 4702379 AZSVBKDIYZEFNB-DQPIFXJKSA-N 359.429 4.710 0 40 FJAB CN(C)C1c2cc(Br)ccc2-c2ccc(Br)cc21 4975123 HIFHIAOZCKAFPA-UHFFFAOYSA-N 367.084 4.843 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2cc(Cl)ccc2O)[nH]n1 5342699 BHTDQKJBFMELTJ-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB CN1c2ccccc2C(C)(C)[C@]12CC(c1cccc(OC(F)F)c1)=NO2 5500175 TZPGRNDZNACTJD-HXUWFJFHSA-N 358.388 4.536 0 40 FJAB COc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 5526955 IGCTUONKDSFTTH-UHFFFAOYSA-N 359.469 4.857 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(Oc2ccccc2)cc1 5694593 LNUSMJKJLBUMLO-HZPDHXFCSA-N 355.507 4.943 0 40 FJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1 5893239 GUCZJPGELCXMPA-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB FC(F)(F)c1nc(Nc2ccccc2)c2cnn(Cc3ccccc3)c2n1 6649803 JOAQSMGAKOFSNV-UHFFFAOYSA-N 369.350 4.637 0 40 FJAB COc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(F)c1 7273387 XRHSJISBDATWAO-UHFFFAOYSA-N 359.784 4.678 0 40 FJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 8560918 QDTVQILVFQCZBY-OAHLLOKOSA-N 355.434 4.681 0 40 FJAB Cc1cc(SCC(=O)Nc2ccnn2C2CCCC2)nc2ccccc12 9221000 PAUKDKGQCPJEJH-UHFFFAOYSA-N 366.490 4.586 0 40 FJAB CSc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 9565153 XOTSSVROHMOJFH-UHFFFAOYSA-N 368.483 4.606 0 40 FJAB O=C(c1csc(Nc2ccccc2Cl)n1)N1CCc2ccccc2C1 9777517 QWLFBLAUIQTERI-UHFFFAOYSA-N 369.877 4.739 0 40 FJAB Cc1ccc(-c2cn(-c3ccccc3)c(S[C@@H]3CCOC3=O)n2)cc1C 12627417 FSOYZMQKVBNDSG-LJQANCHMSA-N 364.470 4.564 0 40 FJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(F)cc3)c12 12770904 UMPFAHSNGOFUNV-UHFFFAOYSA-N 365.339 4.729 0 40 FJAB CN1O[C@H](COC(=O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccccc1 12949934 FPSQOSUDABANES-YOEHRIQHSA-N 366.244 4.527 0 40 FJAB Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3s2)c(C)n1C 15181810 MEYXGZCGAGVDHV-UHFFFAOYSA-N 350.896 4.880 0 40 FJAB O=C1[C@@H](C2CCN(C3CCCC3)CC2)CCCCN1CCc1ccccc1 19745018 NDHUHNCELROHBB-HSZRJFAPSA-N 368.565 4.512 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)cc1 20042136 GCKPETOZYRDVBK-UHFFFAOYSA-N 361.825 4.558 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)cc1 21801188 ZGHJDEABAPULRH-UHFFFAOYSA-N 353.429 4.660 0 40 FJAB C[C@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@H](O)c1ccccc1 22107506 OKUWGZIGRPNPRP-RBZFPXEDSA-N 359.828 4.951 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 22532041 PTXVSQMRKHUFJC-SFHVURJKSA-N 359.469 4.922 0 40 FJAB c1ccc([C@H]2CN[C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 23956887 CKQGMZMTPNSSTE-JPYJTQIMSA-N 368.436 4.721 0 40 FJAB COc1cccc(-n2ccnc2SCC(=O)c2ccc(Cl)s2)c1 26044842 WBTOFBBQJNHBKF-UHFFFAOYSA-N 364.879 4.571 0 40 FJAB O=C(Nc1ccc(Br)c2cccnc12)[C@H]1C[C@@H]1c1ccccc1 27930461 RHLHUZHAGZEMBR-CABCVRRESA-N 367.246 4.740 0 40 FJAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@H]1C[C@@H]1c1ccccc1 28230583 ACWLTBLCDVQYDB-YADHBBJMSA-N 367.452 4.827 0 40 FJAB Cc1cc(C)c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c(Cl)c1 32885583 YWENJYHMKYFZRS-UHFFFAOYSA-N 358.747 4.545 0 40 FJAB CN(C(=O)CSc1nc2ccccc2s1)[C@@H]1CCc2ccccc21 36393375 NEQMRILFFFYCGK-MRXNPFEDSA-N 354.500 4.534 0 40 FJAB COC(=O)c1cc(Nc2cc(C)ccc2OC)c2cc(Cl)ccc2n1 38486603 SNENMLUSOSIRKK-UHFFFAOYSA-N 356.809 4.735 0 40 FJAB O=C(Nc1nc2ccccc2s1)C1(c2ccc(Cl)cc2)CCOCC1 57182614 XEVVAWVTVVCBRH-UHFFFAOYSA-N 372.877 4.637 0 40 FJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2sccc2C1 61550370 UBLQYEDQOPKWOM-UHFFFAOYSA-N 369.421 4.665 0 40 FJAB CCc1ccccc1NC(=O)CN(C)c1nc2c(C)ccc(C)c2s1 70973847 AHEGDZOWFMYYEA-UHFFFAOYSA-N 353.491 4.550 0 40 FJAB Clc1cccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359434 CAKGHPPIOPNQPF-KRWDZBQOSA-N 364.880 4.572 0 40 FJAB C[C@H](Cc1cccs1)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 74852460 FRTLAOPKNTVHLO-HZPDHXFCSA-N 365.502 4.802 0 40 FJAB CC(C)c1cccc(O[C@H](C)C(=O)NC[C@@H](c2cccnc2)C(C)C)c1 75107322 OTCJFXQLGUIUBK-DYESRHJHSA-N 354.494 4.528 0 40 FJAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cccc2ccccc12 78850316 BOMPEAAQRXVFPK-KRWDZBQOSA-N 364.420 4.822 0 40 FJAB O=C(C[C@H]1OCCc2ccccc21)Nc1cc(-c2ccco2)ccc1F 80719026 JUMUOJBSNREYET-HXUWFJFHSA-N 351.377 4.728 0 40 FJAB c1cncc([C@H]2Oc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 96306146 DJHDZTOWUGLSSN-DHIUTWEWSA-N 353.425 4.602 0 40 FJAB COc1ccc2c(c1)[nH]c1c(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ncnc12 101076251 WHCODBIWLXPJFS-ASSNKEHSSA-N 350.466 4.525 0 40 FJAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1C 102202279 IJNQJPANFWUOFM-QFBILLFUSA-N 358.894 4.891 0 40 FJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCCOC(C)C)(C4)C2)C3)cc1 102334880 FLKSWUHPWUAHEZ-LMHXZZLNSA-N 369.549 4.764 0 40 FJAB C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)C1 222181348 ZVCDZKFBGOPISW-IJEWVQPXSA-N 369.896 4.525 0 40 FJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C(C)C 222609669 MLYAJRIGQZEAAA-GDIGMMSISA-N 354.523 4.670 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccccc1Cl 222963995 YSIXXNDTAHEDHN-LJQANCHMSA-N 359.897 4.863 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1C 222995455 WHLQWJJLCSYMIQ-FQEVSTJZSA-N 369.461 4.585 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(Br)c1 224597082 YYHQWXNCMUAYQC-CYBMUJFWSA-N 374.278 4.734 0 40 FJAB C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 225405697 NJUSSQIKRFIZGO-AWEZNQCLSA-N 370.518 4.803 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCC[C@@H](C)C1 226330454 FSNKMFRTSAEAFI-CYBMUJFWSA-N 357.885 4.719 0 40 FJAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 408726143 QEKMHHQHNMQUIF-GHRIWEEISA-N 364.486 4.722 0 40 FJAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccsc4)cc3cc21 575473086 GQLKUXTXNXWDGC-GFCCVEGCSA-N 367.470 4.808 0 40 FJAB Cc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1C 888514 MMJKJGGKPKXJIV-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB Oc1ccc([C@@]23CCC[C@@H]2C2(CCCC2)c2ccc(O)cc2O3)c(O)c1 1079809 VVKZOCOBTLMOQJ-IRLDBZIGSA-N 352.430 4.703 0 40 FJAB Cc1ccc(N2C(=O)C[C@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1 1240225 YSOVMRJJZZESGB-DEOSSOPVSA-N 367.448 4.635 0 40 FJAB Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(F)cc3)s2)cc1 1356335 GCFAPTHPJRHKEI-UHFFFAOYSA-N 369.465 4.955 0 40 FJAB COc1ccc(/C=C/C(=O)OCc2c(Cl)cccc2Cl)cc1OC 3254190 CUTHKTACZFXXQW-VQHVLOKHSA-N 367.228 4.767 0 40 FJAB CCc1cc2c(SCC(=O)c3ccc(F)c(F)c3)ncnc2s1 3369552 ZRKMVGPXFMESGL-UHFFFAOYSA-N 350.415 4.507 0 40 FJAB C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 3583343 YRHMYVOAPRYBSL-OAHLLOKOSA-N 358.869 4.945 0 40 FJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OC(C)C)cc1 4162597 APIGPHARAOHEDY-UHFFFAOYSA-N 367.401 4.649 0 40 FJAB Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305441 NFVOSJQJGRZTNO-FQEVSTJZSA-N 362.498 4.590 0 40 FJAB O=C(O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 4653311 FOXQGYSHXYXXQY-CYBMUJFWSA-N 372.635 4.593 0 40 FJAB Cc1nc(SCC(=O)c2cc(C)n(C)c2C)c2c(C)c(C)sc2n1 5271547 WEJWCBZMVZKUBM-UHFFFAOYSA-N 359.520 4.547 0 40 FJAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 5292520 OXWGWSNSZDGUQM-KSSFIOAISA-N 374.868 4.620 0 40 FJAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(Cl)c1Cl 6362167 WDKJMMCDXUVLBZ-UHFFFAOYSA-N 374.289 4.728 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(CS(C)(=O)=O)cc1 6847702 GHMJFAMLIXSVLB-UHFFFAOYSA-N 373.518 4.730 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1C 7318719 CNNXKIAVNXUTDJ-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB COc1ccccc1CSc1nnc(Cc2cccs2)n1C1CC1 7844173 NCLCIFHLYLCSPO-UHFFFAOYSA-N 357.504 4.566 0 40 FJAB COc1cc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(OC)cc1Cl 8031935 LWWGUTIDXZNRCR-SNVBAGLBSA-N 365.882 4.796 0 40 FJAB Cc1cccc(N(CC(=O)c2ccc(C)cc2C)C2=NCCCS2)c1 8414568 YHRJHMBAKKTQNB-UHFFFAOYSA-N 352.503 4.794 0 40 FJAB O=C(NCc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1 9141654 GOHYULQYWGAIID-UHFFFAOYSA-N 356.219 4.639 0 40 FJAB COc1ccc(SCC(=O)Nc2nc(-c3cccs3)cs2)cc1 10219164 NUCXWOHQVFXRDP-UHFFFAOYSA-N 362.501 4.611 0 40 FJAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1Oc1ccccc1 10737230 QSGQUAMXKMVBLU-UHFFFAOYSA-N 371.440 4.567 0 40 FJAB CCCc1ccc([C@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 12811976 VNIURFOFPCZPCW-IBGZPJMESA-N 363.490 4.648 0 40 FJAB Cc1cc2cc(CNCc3ccc4c(c3)OCO4)c(Cl)nc2cc1C 13535370 STHBYFYTPUBFSD-UHFFFAOYSA-N 354.837 4.524 0 40 FJAB CC(C)CNC(=O)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 13992506 WMCIDOKKNSLETI-UHFFFAOYSA-N 361.401 4.536 0 40 FJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 16752029 FFISPASEKURGNV-SFHVURJKSA-N 367.832 4.792 0 40 FJAB Cn1cc(CN[C@H](Cc2ccsc2)c2nccs2)c2cc(F)ccc21 19290352 JLBFFVUEWGFROJ-QGZVFWFLSA-N 371.506 4.909 0 40 FJAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc2c(c1)OCO2 19791692 JQRIRCKZZCYTMM-JOCHJYFZSA-N 357.413 4.802 0 40 FJAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccccc1 22074423 YAIMOOMDKVIYAV-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB Cc1nn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c(C)c1Cl 27925041 OMGJLZKQPCHQHY-UHFFFAOYSA-N 361.779 4.673 0 40 FJAB CCn1nc(C)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 28245375 QUXOBIKIDOARDS-UHFFFAOYSA-N 354.262 4.985 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1cccs1 29709980 JXNACZHBRVXLGI-UHFFFAOYSA-N 358.488 4.575 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 30751544 CDKSQPLAGAHDHJ-LEWJYISDSA-N 355.478 4.756 0 40 FJAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1Cl 31455656 IKNGTZXWYBLTFF-UHFFFAOYSA-N 356.784 4.705 0 40 FJAB O=C(Nc1ccccn1)c1cc2occc2n1Cc1ccccc1Cl 36360448 ZERNTHJPWVAIID-UHFFFAOYSA-N 351.793 4.583 0 40 FJAB CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C 46516989 XCTWDMCCUWSHQK-UHFFFAOYSA-N 373.815 4.624 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1nc2ccccc2s1 49409898 IKZAURASHYHJSV-UHFFFAOYSA-N 367.499 4.539 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)Nc1c(F)cccc1F 49410286 IXKTYUGBGPIMSY-UHFFFAOYSA-N 361.417 4.599 0 40 FJAB Cc1cc(C(=O)N2CCC(n3c(C)ccc3C)CC2)c2ccc(F)cc2n1 58138114 FMIVDOKXAQBMKN-UHFFFAOYSA-N 365.452 4.578 0 40 FJAB Fc1cccc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 58407196 RPMJBBSKGXURAT-UHFFFAOYSA-N 358.420 4.745 0 40 FJAB Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 67296355 TUAPXYMMAGYGTQ-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 69476223 KLXRSEWEBFLJPA-KRWDZBQOSA-N 354.519 4.937 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2ccc(F)c(C)c2)cc1Cl 71326159 PRRLGNACXOLAKI-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CC(=O)c1cc2c(N)c(C(=O)c3cc(C)cc(C)c3C)sc2nc1C 95117487 KECWIZICFIAHNY-UHFFFAOYSA-N 352.459 4.546 0 40 FJAB FC(F)COc1ccc(CN2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 97105403 SNMDXSQZIAUBBT-GOSISDBHSA-N 357.404 4.544 0 40 FJAB O=C(OCc1nc2ccccc2s1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412668 HFXWTTNHKXQBGM-NYYJTOMGSA-N 361.894 4.917 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC(C)(C)C 222916732 JBFDKLCQARLSSO-QGZVFWFLSA-N 351.556 4.789 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(C)c1 223490794 RAHTXPIZCJHJBP-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cccc(C)c1 224109570 ZKVROGVEZNFQEQ-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 227147608 ORLFZRDKOSRHFY-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 257334011 YEDATNVWTYHSCX-UHFFFAOYSA-N 367.493 4.504 0 40 FJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 408556347 HVZUFGDUUAOYGD-UHFFFAOYSA-N 353.871 4.663 0 40 FJAB CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@@H]1c1ccccc1OCC 408985220 AGRVOAZDRUUTRO-GOSISDBHSA-N 372.490 4.633 0 40 FJAB O=C(O)c1cccc(Cl)c1CN1CCC(c2c[nH]c3ccccc23)CC1 567905882 VNONMPBERTWMMI-UHFFFAOYSA-N 368.864 4.899 0 40 FJAB O=C(C1CCCCC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 592780848 QKVQKDREPCGGEN-INIZCTEOSA-N 360.256 4.613 0 40 FJAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C(C)(C)Oc1ccc(F)cc1 1518648542 ZJSUDCCBIZUPGU-ZIAGYGMSSA-N 359.416 4.657 0 40 FJAB CC(C)OC(=O)NC1CC2(CCN(Cc3ccc(C(C)C)cc3)CC2)C1 2056225855 DDUQUFDUQIIKBJ-UHFFFAOYSA-N 358.526 4.689 0 40 FJAB O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1cccc(O)c1 992781 GYAKFHGKZFWSSV-UHFFFAOYSA-N 365.772 4.639 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2NC2CCCCC2)cc1 2179735 ZRCUIRJXFACFGA-PGMHBOJBSA-N 359.473 4.661 0 40 FJAB COc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 2375670 SMJZKKCXSAYLSP-UHFFFAOYSA-N 370.387 4.783 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 2762471 NUSJOVIOPBNKIT-CYBMUJFWSA-N 357.841 4.944 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)s1)OCc1nc2ccccc2s1 3447160 CGJDIHOPSTXVED-UHFFFAOYSA-N 365.863 4.718 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6288837 UGXABDGCLJJTDW-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3)n2)cc1 6748002 OBBCISVEKBPFQN-UHFFFAOYSA-N 369.877 4.983 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnc3ccccc3n2)cc1 7364099 CIHNRJMBXDPHIO-JOCHJYFZSA-N 366.424 4.709 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1Cl 7922135 LSAUKQXGEDTHGT-GFCCVEGCSA-N 359.882 4.581 0 40 FJAB O=C(Cc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 8071593 WYQLXQUPMAMJSA-UHFFFAOYSA-N 370.246 4.568 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 8613765 HRRHWZUTZQQFQU-UHFFFAOYSA-N 355.459 4.971 0 40 FJAB CC1CCN([C@@H](CNc2ncnc3sccc23)c2cccs2)CC1 8727557 QSKKXLXLQGYOGQ-HNNXBMFYSA-N 358.536 4.638 0 40 FJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1cccs1 9660012 RHBORYSFQRZIBE-UHFFFAOYSA-N 365.385 4.913 0 40 FJAB biogenic O=C(NC1CC1)[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 10844392 HDPAKJZTGQJWDM-SFHVURJKSA-N 368.433 4.593 0 40 FJAB Cc1cc(=O)oc2c(C)c(OCc3coc(-c4cccs4)n3)ccc12 11112890 SDDBMRDPQGVULB-UHFFFAOYSA-N 353.399 4.705 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)c3ccc(OCC(C)C)cc3)n2)cc1 11914465 KVCDULZNXJJCSN-UHFFFAOYSA-N 367.474 4.801 0 40 FJAB Cc1ccc(C2=NN(C(=O)C(C)(C)C)[C@H](c3ccc4nccnc4c3)C2)cc1 12409685 GWHBMNRRLLBPJG-NRFANRHFSA-N 372.472 4.662 0 40 FJAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 12542188 CNMAJPQLNXVTAG-KUCQQTCKSA-N 374.383 4.733 0 40 FJAB CSCC[C@H](NC(=O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 12602682 OWHWTSRCARSBKD-INIZCTEOSA-N 374.897 4.832 0 40 FJAB Cc1nnc(SCc2coc(-c3cccs3)n2)n1Cc1ccccc1 14093689 DRAZRKJMWQZVRU-UHFFFAOYSA-N 368.487 4.644 0 40 FJAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(CC2CCCCC2)CC1 19082001 IVVCCNCNMZKVIM-OAQYLSRUSA-N 371.569 4.577 0 40 FJAB CCCc1c(C)n(Cc2ccc(Cl)cc2)c2nc3ccccc3n2c1=O 20798265 DFAZVOWEJXXYSL-UHFFFAOYSA-N 365.864 4.612 0 40 FJAB COc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 21935255 HYENUBHZQJAILM-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC 22974490 DJJZIDVKUMNFLR-INIZCTEOSA-N 363.457 4.667 0 40 FJAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(OC(F)(F)F)c3)c2c1 24789149 HGHWUFWJSMVIHJ-UHFFFAOYSA-N 362.351 4.865 0 40 FJAB CCCc1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1 25047986 UMIAPODMSGEFKA-UHFFFAOYSA-N 352.419 4.518 0 40 FJAB Cc1nc(-c2ccc(NC(=O)/C=C/c3ccccc3OC(F)F)cc2)co1 32776594 CCXYIJFXKKKDQZ-DHZHZOJOSA-N 370.355 4.903 0 40 FJAB CCN(CC(=O)Nc1c(C)cc(C)cc1C)[C@H](C)c1cccc(OC)c1 36392977 CKFRHJHSNKIGLB-GOSISDBHSA-N 354.494 4.642 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40112827 PHRNYOULLOOTHI-OAHLLOKOSA-N 364.445 4.928 0 40 FJAB Cc1ccc(Cl)cc1N1CCN(Cc2coc(-c3cccs3)n2)CC1 57392133 JBUFRCZBKPHZQZ-UHFFFAOYSA-N 373.909 4.687 0 40 FJAB COc1cccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 57483945 QOKQYPPQUAMAII-OAQYLSRUSA-N 363.457 4.756 0 40 FJAB CSc1ccc(Cl)c(C(=O)N(C)Cc2nc(C)c3ccccc3n2)c1 58325083 GDIVVDIEBJNUIY-UHFFFAOYSA-N 371.893 4.586 0 40 FJAB Nc1c(Cl)cc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1Cl 58355241 VDOFZPNGPOFTEU-UHFFFAOYSA-N 372.255 4.865 0 40 FJAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1 58366508 XTUBIHLCTDCIOG-FYWRMAATSA-N 366.442 4.595 0 40 FJAB Clc1cccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)c1 67262678 MAWZXXOLQZNZSH-UHFFFAOYSA-N 363.852 4.588 0 40 FJAB CSc1cccc(NC(=S)Nc2ccccc2Br)c1 71761358 YDKQUFVNYQCLPI-UHFFFAOYSA-N 353.310 4.980 0 40 FJAB Cc1nc2ccc(C(=O)Nc3ccc(Nc4ccccc4)nc3)cc2nc1C 84057472 SELQZPPPOCXUGG-UHFFFAOYSA-N 369.428 4.638 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)C1(c2ccc(F)cc2)CCCCC1 84590689 AWXJZVTZKRLUDN-UHFFFAOYSA-N 364.464 4.868 0 40 FJAB COc1ccc(SCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1 90608291 GDUGBADPLLWLNK-UHFFFAOYSA-N 374.481 4.871 0 40 FJAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N(CCc1ccccc1)Cc1ccccc1 102226701 BEBGIKYDQVWKDR-FDFHNCONSA-N 364.558 4.794 0 40 FJAB CC(C)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 105575019 YMYUYQFCDNCZTB-UHFFFAOYSA-N 359.369 4.509 0 40 FJAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(COCc2ccco2)c1 106568449 QWSFBZJFZBEOBO-YTQUADARSA-N 368.477 4.944 0 40 FJAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 115705319 FRUQTLWBLAFVOJ-QGZVFWFLSA-N 355.478 4.601 0 40 FJAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 219865290 LPHWQSLCDROHCZ-IBGZPJMESA-N 350.506 4.706 0 40 FJAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl 222596443 JYECWOTWYBDLPS-UHFFFAOYSA-N 358.652 4.976 0 40 FJAB COc1ccc(C(=O)NCCC(C)C)cc1COc1cccc(Cl)c1 224151016 BOCOMJYCJOCYOG-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224935375 JKQKQNTWSRXDOQ-UHFFFAOYSA-N 364.681 4.780 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2O1 225101909 IWIGLGQCTGKBCS-IZLCOFNUSA-N 365.473 4.907 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)NCCCc1cccc2ccccc12 225232614 NTLQEFSJNDLEBF-UHFFFAOYSA-N 373.496 4.846 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccccc1OC 225236293 HAXNDLWQVAHBFR-KKSFZXQISA-N 367.489 4.609 0 40 FJAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)C(c1ccccc1)c1ccccc1 225599173 KJZZJILMVYXKND-SFHVURJKSA-N 371.480 4.501 0 40 FJAB Cc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Cl)cc1 408845724 RHJRZJGBJTZWDR-XSFVSMFZSA-N 373.843 4.878 0 40 FJAB O=C(c1ccc(NC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)cc1)C1CCC1 529084270 YAKGTDJPTKXZKO-IRXDYDNUSA-N 374.431 4.854 0 40 FJAB O=C1CCc2cc(NC(=O)N3CCC[C@H](c4ccc(F)c(F)c4)C3)ccc21 626576629 HKGZFODEBSEXGY-HNNXBMFYSA-N 370.399 4.505 0 40 FJAB CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)oc2C1 1740818112 CNCQOXHCQANWMB-UHFFFAOYSA-N 367.323 4.586 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Br)cc1 903708 ICZPLCNFKPJYPB-UHFFFAOYSA-N 370.699 4.974 0 40 FJAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952278 RQBWKKAVWHWNOH-UHFFFAOYSA-N 372.376 4.688 0 40 FJAB biogenic Cc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1C 1465613 FBCMGYOHHURSKY-UHFFFAOYSA-N 353.472 4.536 0 40 FJAB CC(C)NC(=O)c1ccccc1Sc1ccccc1CN(C)C(C)C 1559276 RJSYWZVNYLKKSP-UHFFFAOYSA-N 356.535 4.816 0 40 FJAB CCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccc(C)cc3nc21 2391997 LKHNSWWKPPTPPG-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB Cc1ccc(C)c(Cn2c([C@H](C)NC(=O)C(C)(C)C)nc3ccccc32)c1 2721346 TWZGQQJPGHVGGQ-KRWDZBQOSA-N 363.505 4.925 0 40 FJAB CSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2738782 SLQWJXBZEOVCQM-OAHLLOKOSA-N 374.828 4.556 0 40 FJAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 3096377 LDDJZEAEJQKQNX-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 3298252 FBPPHINLLJNRJM-LJQANCHMSA-N 353.462 4.929 0 40 FJAB CCOc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1 4355980 OARROTIZGFNKHO-UHFFFAOYSA-N 356.472 4.579 0 40 FJAB Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1 4794255 GWIJYWJYUASNEM-UHFFFAOYSA-N 361.493 4.859 0 40 FJAB O=C(Nc1ccccc1F)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4882294 JDQDTPJLOGSWSI-YQQQUEKLSA-N 367.468 4.533 0 40 FJAB O=c1oc2ccccc2cc1C1=NN[C@H](c2c(Cl)cccc2Cl)C1 5604912 MNBUCWVTDWPRQP-HNNXBMFYSA-N 359.212 4.539 0 40 FJAB FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 5757174 QASVFDRZPXOVAN-UHFFFAOYSA-N 352.366 4.829 0 40 FJAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 5954106 SSPRUTMBKLBMIG-VIFPVBQESA-N 356.702 4.600 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cs1 7918177 UMZCPUGYZHQRBS-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7928831 ZPQUIIAXVUOBDQ-PKOBYXMFSA-N 365.473 4.634 0 40 FJAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc2c(c1)CCCC2 8267569 DADFGNMNCZDTHL-HNNXBMFYSA-N 364.514 4.985 0 40 FJAB Cc1cc2ccccc2n1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8393766 AJYBCSZZDGHPII-UHFFFAOYSA-N 362.429 4.630 0 40 FJAB Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 9335619 FWFBMODKQOTLTR-UHFFFAOYSA-N 356.834 4.593 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9377848 XOELNMYYBZPVQQ-KRWDZBQOSA-N 363.413 4.571 0 40 FJAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3)ccc2o1 9660032 XQSIYRHYQFTFTC-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 11915508 JESSNBPXWXMFKG-UHFFFAOYSA-N 360.457 4.565 0 40 FJAB Cc1sc(N[C@@H](C)c2ccccc2)nc1-c1ccc2c(c1)NC(=O)CO2 12775676 HPODFAPDVXOVTG-LBPRGKRZSA-N 365.458 4.623 0 40 FJAB COc1ccc(C2=NN(c3nc(C)c(C)s3)[C@H](c3ccco3)C2)cc1 14167655 NCYRAJSPHNNUTF-KRWDZBQOSA-N 353.447 4.717 0 40 FJAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 14428240 PNWYHFRRTRLOLD-LLVKDONJSA-N 366.280 4.577 0 40 FJAB C[C@]1(C(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccccc2C(=O)O1 15356113 PNESISLTEJRRNW-HSZRJFAPSA-N 373.408 4.589 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)cc1 16339277 XALLLQPDIQKWJX-SFHVURJKSA-N 369.852 4.736 0 40 FJAB c1ccc(CCNc2nc(NCCc3ccccc3)c3ccccc3n2)cc1 16479411 OGJHNXHVLVXBSB-UHFFFAOYSA-N 368.484 4.939 0 40 FJAB O=C(NCc1ccccc1CN1CCCCC1)Nc1cccc(Cl)c1 18177319 YCUSFEYKEUVPNT-UHFFFAOYSA-N 357.885 4.648 0 40 FJAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22072251 YGHGKEHLJFHBIJ-UHFFFAOYSA-N 369.827 4.590 0 40 FJAB COc1cccc(-n2ccnc2SCc2ncc(-c3ccccc3)o2)c1 22886297 MWGMPJGQXSMOLS-UHFFFAOYSA-N 363.442 4.828 0 40 FJAB O=c1c2scc(-c3cccc(Cl)c3)c2ncn1Cc1cccc(F)c1 23126543 LXNWOKZDKCSSLW-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 24751275 FFZNMCXVZRYIGR-UHFFFAOYSA-N 373.412 4.503 0 40 FJAB O=C(CCn1cnc2ccccc21)Nc1ccccc1Cc1ccccc1 29005819 GHDCNUFRHGRSEM-UHFFFAOYSA-N 355.441 4.656 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 32784561 FEPVCCKYQJEMBA-UHFFFAOYSA-N 350.462 4.753 0 40 FJAB C[C@@H]1CN(C(=O)/C(=C\c2ccccc2)c2ccc(Cl)cc2)C[C@@H](C)O1 32975488 WQYFXZAVWSDGBK-XLOQWRIGSA-N 355.865 4.516 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)s1 36397777 MRAXEFSDLLCUQT-UHFFFAOYSA-N 372.421 4.856 0 40 FJAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 49544501 GORHFJBZGAXBHZ-MRXNPFEDSA-N 367.836 4.776 0 40 FJAB CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1C1CCCCC1 69950649 VXTBPNXALSJOHI-LJQANCHMSA-N 359.510 4.816 0 40 FJAB O=C(Nc1cc(F)ccc1F)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 79052566 AVYJTSYFYOTADQ-XLIONFOSSA-N 374.431 4.865 0 40 FJAB Clc1ccc(-c2cnc(CCc3nc(C4CC4)no3)o2)c(Cl)c1 95955929 OSFMYOLLSPAQSY-UHFFFAOYSA-N 350.205 4.694 0 40 FJAB O=[S@@](Cc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 107933253 SPYRTSYVSBOXJJ-JOCHJYFZSA-N 351.855 4.910 0 40 FJAB O=C1Cc2cc(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)ccc2N1 113904314 GELMGMXSBJOBQQ-UHFFFAOYSA-N 368.845 4.815 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219298082 UXVRNDGUSPWUOO-VQIMIIECSA-N 367.489 4.996 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccc(C(C)C)cc1 219585678 GWTUWTRBTINGFG-HXUWFJFHSA-N 357.469 4.856 0 40 FJAB C[C@@H](CNC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 223456020 MDZBCJZYJXYNQG-ZDUSSCGKSA-N 351.874 4.632 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1C 224369928 UYXHTVVQTWSHTD-UHFFFAOYSA-N 353.462 4.645 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COCC(C)C 224455476 TZMQZEIOUUHYPQ-SFHVURJKSA-N 369.505 4.619 0 40 FJAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224927772 OBVPXVLODYFUIK-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 225371059 MTUXZADEISCXSP-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NCCCSCc2ccco2)cc1 225594053 NXQWHDAYNUPDQH-UHFFFAOYSA-N 374.453 4.908 0 40 FJAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)C(c1ccccc1)c1ccccc1 225599202 KJZZJILMVYXKND-GOSISDBHSA-N 371.480 4.501 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1 225710070 ZZPBHJOZULXMBD-QGZVFWFLSA-N 358.507 4.758 0 40 FJAB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n(C(C)C)c1C 260778591 RSKBDVQIEXKVEY-SMHULIPUSA-N 368.550 4.979 0 40 FJAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)c1 409184639 YKOXSJYKSHVYKX-UHFFFAOYSA-N 360.409 4.614 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)c2cccc(Cn3ccnc3)c2)cs1 576310018 OTWIIAZHCOEVMD-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB Cc1cc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c(C)o1 1615155139 IBEPOZOOFCIKRW-JOCHJYFZSA-N 370.468 4.699 0 40 FJAB CC(C)(C)c1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1 2385723 KXUYERPBPLWODQ-UHFFFAOYSA-N 364.474 4.729 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 2622269 JZCODKBFUZGMBN-UHFFFAOYSA-N 371.396 4.706 0 40 FJAB Cc1ccc(OCn2ccc(C(=O)Nc3c(C)cc(C)cc3C)n2)c(C)c1 2796427 UPUJTZMQHDQDKG-UHFFFAOYSA-N 363.461 4.714 0 40 FJAB COc1cccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120605 HLCPGZMKNKNRNG-GOTSBHOMSA-N 360.409 4.597 0 40 FJAB CN1/C(=C2/C=NN(C)[P@@]2(=O)Nc2ccccc2)C(C)(C)c2ccccc21 3184909 NQEYPKQBJYCSJW-JYWGFPHJSA-N 366.405 4.862 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2oc3c(c2c1)CCCC3 3503937 MZGKYIYGKOZGKK-OAHLLOKOSA-N 361.441 4.668 0 40 FJAB Cc1ccc(F)cc1NC(=O)COc1ccc(Cl)cc1Br 3510327 SCTZHMTWOZSZAI-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5cccnc5)nc4c23)C1 5574989 PQYBILSXXMHKFZ-CYBMUJFWSA-N 363.490 4.552 0 40 FJAB Cc1csc(N(C(=O)COc2ccccc2Cl)c2ccccc2)n1 6219766 MIUAJZWUNCNHCU-UHFFFAOYSA-N 358.850 4.849 0 40 FJAB COc1cc(C)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 6259141 BPCVYPCPBQJNCH-UHFFFAOYSA-N 361.441 4.860 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCCC(F)(F)F)cc12 6590230 SMYHULOTUFQLCX-UHFFFAOYSA-N 354.353 4.505 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H](c1ccccc1)c1ccncc1 6978061 YSZUTTYVBZZJJT-FQEVSTJZSA-N 371.267 4.837 0 40 FJAB CC(C)Cn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542693 NVEQFMSUIIILGY-OAHLLOKOSA-N 367.880 4.866 0 40 FJAB COc1ccccc1C(=O)COC(=O)c1sc2ccccc2c1Cl 7652748 AGNBGHKXYOTFTR-UHFFFAOYSA-N 360.818 4.603 0 40 FJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc2ccccc12 7725778 QXETXRNYWZYUBB-UHFFFAOYSA-N 360.413 4.667 0 40 FJAB O=C(NCc1ccccc1F)[C@@H](Sc1ccccc1)c1ccccc1 7755646 QTHWOXFSOHIDME-FQEVSTJZSA-N 351.446 4.976 0 40 FJAB Cc1ccc2nc(CSc3nc(C(F)(F)F)nc4ccccc34)cn2c1 8424958 BYGHHFPPUKOQBE-UHFFFAOYSA-N 374.391 4.897 0 40 FJAB CC[C@@H](C)NC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 8938123 JBIPEJVEJCOSCK-LLVKDONJSA-N 354.928 4.546 0 40 FJAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nncs2)cc1 9495363 ZFZJFFAJEHMQFE-UHFFFAOYSA-N 350.472 4.683 0 40 FJAB CCOc1cccc2c1N(C(=O)CSc1ccccn1)C(C)(C)C=C2C 9938326 JCHRYWSWRUFUEA-UHFFFAOYSA-N 368.502 4.801 0 40 FJAB COc1ccc(C)c2sc(NC(=O)Cc3ccc(SC)cc3)nc12 10252418 JHPQZWRBSBDAPC-UHFFFAOYSA-N 358.488 4.516 0 40 FJAB CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 10918294 FSRQWCXNQHINNV-GOSISDBHSA-N 356.853 4.570 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ncoc1-c1cccs1 12338275 WXSZESYBJIDHLH-UHFFFAOYSA-N 371.418 4.918 0 40 FJAB O=C(COc1ccccc1)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 12865735 YNUXEPWVPQMDBT-JOCHJYFZSA-N 363.482 4.521 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cs1 12993476 CLZUSGPPJPOQRW-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB COc1cccc(OCCN2CCC(c3nc4ccccc4s3)CC2)c1 13690650 CRBMXGXEXQBKHR-UHFFFAOYSA-N 368.502 4.563 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCCC1 13709188 BBBSALOPHUZLIZ-MRXNPFEDSA-N 357.519 4.789 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710807 UBZQNYGHECZSNJ-KRWDZBQOSA-N 369.461 4.666 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccco1 13717001 WYQDRBZNUCFLLK-UHFFFAOYSA-N 365.498 4.851 0 40 FJAB Cc1ccc(CN2CN(Cc3ccccc3)Cn3c2nc2ccccc23)cc1 14608221 KLSRPTNBNPUBBH-UHFFFAOYSA-N 368.484 4.782 0 40 FJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1 20899973 OPYPWZHSCXRBGB-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 22619741 VPRVWFIOXRTXLG-RXVVDRJESA-N 370.924 4.787 0 40 FJAB Cc1ccc(S(=O)(=O)c2ccc(CSc3ccccn3)cc2)cc1 32322979 OCLWVPLJPAKOAC-UHFFFAOYSA-N 355.484 4.515 0 40 FJAB CCc1nnsc1N(Cc1ccc(F)cc1)c1ccc(OC)c(OC)c1 32611839 OCJRKZVKDLLPAA-UHFFFAOYSA-N 373.453 4.595 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C 35476407 AAQYGJGPDDLQAM-GOSISDBHSA-N 363.910 4.791 0 40 FJAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cncc(Br)c1 35973667 VMKLEHLDJAGGJC-UHFFFAOYSA-N 361.022 4.508 0 40 FJAB Cc1nc(COc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cs1 39982761 NZVHFBYCESBOLO-AWEZNQCLSA-N 364.470 4.622 0 40 FJAB Cc1noc(-c2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2)n1 49027235 PIYDDECJOYXQEJ-UHFFFAOYSA-N 353.447 4.557 0 40 FJAB C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(C(=O)O)cc2)C1=O 55175042 FRFJZKDYECCTRX-JUJQQSPASA-N 361.507 4.786 0 40 FJAB CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1OC(C)C 58210333 CHPJKWQOQNZWNV-AZUAARDMSA-N 367.493 4.867 0 40 FJAB O=C(Nc1ccc(Cc2ccncc2)cc1)NC12CC3CC(CC(C3)C1)C2 59484641 SUMXOABADJJNNQ-UHFFFAOYSA-N 361.489 4.763 0 40 FJAB O=C(/C=C/c1c(F)cccc1F)O[C@@H](c1ccccc1)c1ccccn1 65610647 QTOUACYZSPYHPJ-IWGBCORSSA-N 351.352 4.706 0 40 FJAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H]1C1CCCCC1 70040647 FGIJOYPYHZRIFS-FQEVSTJZSA-N 363.505 4.546 0 40 FJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 79444122 RIGNPVQUXDGNOW-VYDXJSESSA-N 356.432 4.838 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(OC(C)C)c1 113955222 RATRYGYKNADOBS-LJQANCHMSA-N 361.869 4.601 0 40 FJAB Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 216360438 VIIPSHWBHLWMPE-DEOSSOPVSA-N 359.469 4.896 0 40 FJAB CCCOc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218982164 ZKRJLUZBUOKWNU-UHFFFAOYSA-N 355.478 4.625 0 40 FJAB CCOc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1 218986921 JXODVONHDUIEEU-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB O=C(NCCCc1ccc(F)cc1)c1ccccc1CCc1ccccc1 219002278 RXJCPZGSTOEOQR-UHFFFAOYSA-N 361.460 4.974 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)c(C)c1 223135589 AVTDGIOCZJXBFY-HXUWFJFHSA-N 355.478 4.773 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCSC2CCCC2)cc(C)c1Cl 223657950 JJSGCUFKDXRQKQ-CQSZACIVSA-N 355.931 4.516 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223709415 MYHVNVJTTPMUCK-WOJBJXKFSA-N 355.478 4.737 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccccc1C 223915634 IAEBUNQCLIGKFU-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB CCCCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224273667 MQVMRYOXGKYLMY-UHFFFAOYSA-N 355.478 4.729 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(C)c1 225768439 XAOATZPXIMVIGK-IEBWSBKVSA-N 355.478 4.655 0 40 FJAB COc1cc(Cl)c2[nH]c(-c3ccc(OC)c(Br)c3)nc2c1 226343461 SXJNPUDFEPUVHS-UHFFFAOYSA-N 367.630 4.663 0 40 FJAB Fc1cccc(Cc2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)c1 257261066 LFONACNQQXKNHX-QHCPKHFHSA-N 361.464 4.934 0 40 FJAB O=C(NC(=S)Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 408595762 NSCBWMOPIRUUMO-UHFFFAOYSA-N 359.665 4.774 0 40 FJAB C[C@H](NC(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccccn1 505163845 JDGLZJWJALCYCH-INIZCTEOSA-N 353.425 4.788 0 40 FJAB CCN(C[C@H](C)OC)c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 1307125402 PVCXAYHXWPKPLE-AWEZNQCLSA-N 359.901 4.537 0 40 FJAB Cc1nnc2c(SCc3cccc(C(F)(F)F)c3)nc3ccccc3n12 1775966896 MZKLRPJHLZWSLI-UHFFFAOYSA-N 374.391 4.897 0 40 FJAB O=c1c2c(nc(SCC3CCCC3)n1-c1ccc(F)cc1)CCCC2 1888959353 KEXVXCMLUQLRDZ-UHFFFAOYSA-N 358.482 4.533 0 40 FJAB Cc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 682406 FZKMXDNCVXDAKX-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB CCc1ccc2nc3sc(C(=O)Nc4nc(C)cs4)c(N)c3cc2c1 1342806 HAGXMMDPYOBGGV-UHFFFAOYSA-N 368.487 4.611 0 40 FJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)[nH]1 1355703 UUHRDBUSGYEVIR-SWLSCSKDSA-N 363.914 4.517 0 40 FJAB O=C(c1ccccc1)[C@H]1CN(c2ccccc2)C[C@@H]1C(=O)c1ccccc1 1394184 ZXHHEFRILZNCTP-VXKWHMMOSA-N 355.437 4.505 0 40 FJAB CC[C@H](C)NC(=O)N[C@@H](c1ccc(C)c(F)c1)C(Cl)(Cl)Cl 3198569 XETVJSOLHZBSNR-CABZTGNLSA-N 355.668 4.643 0 40 FJAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 3322749 XMWQHHJZUZDOPL-UHFFFAOYSA-N 367.371 4.932 0 40 FJAB Cc1ccc(Sc2ccc(N[C@@H](C)C(=O)N3CCCC3)cc2)cc1C 3352896 AOFAWDLEAYYZAL-KRWDZBQOSA-N 354.519 4.877 0 40 FJAB Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCCC1 3897458 BLCNNVIUQKGVBA-UHFFFAOYSA-N 367.884 4.814 0 40 FJAB CC(C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 4106656 LOSYQUGSUMSBBV-UHFFFAOYSA-N 359.472 4.675 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(C(=O)O)c1 4679763 DDYDYJYCXBRLJM-QHHAFSJGSA-N 370.619 4.997 0 40 FJAB Cc1c(Cl)cccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 4717765 QSZKZURUCNVOJC-UHFFFAOYSA-N 362.926 4.678 0 40 FJAB CCc1ccc2[nH]c(C)c(SC(F)(F)[C@H](F)C(F)(F)F)c(=O)c2c1 5050426 HYGXWWNKOCFVSY-CYBMUJFWSA-N 369.330 4.984 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F 6329755 QLRLENHQGDVRHK-UHFFFAOYSA-N 356.077 4.941 0 40 FJAB Cc1csc(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 7293889 WMWCFIGDLTWLCD-GFCCVEGCSA-N 362.520 4.800 0 40 FJAB O=C(/C=C/c1nc2ccccc2s1)N1CCCSc2ccccc21 8036958 KNOZORAMLOLRJS-ZHACJKMWSA-N 352.484 4.839 0 40 FJAB O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1)c1ccccc1 9190856 RZXTWHVDWKCEAK-UHFFFAOYSA-N 356.425 4.680 0 40 FJAB CSc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546557 ONQGMGVEZGMLMU-OAHLLOKOSA-N 369.877 4.926 0 40 FJAB COc1cccc([C@@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1 9902993 CSXXUDVMQWWLHR-SFHVURJKSA-N 369.852 4.736 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(CC)cc1 11692511 SDSMIOPLNOBOQL-NRFANRHFSA-N 352.478 4.901 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2Cl)cc1 12790971 QAAWAQRDPBMDGZ-LLVKDONJSA-N 368.658 4.817 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 12795157 ZIDQEGPIIBGLPV-MDWZMJQESA-N 366.461 4.603 0 40 FJAB C[C@@H](NC(=O)NC1CCCCCCC1)c1ccc(NC(=O)C2CC2)cc1 12986457 QEEREMUQPCOLLM-OAHLLOKOSA-N 357.498 4.508 0 40 FJAB CCC[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 15652607 FDDZIHBIAFKXTP-LBPRGKRZSA-N 359.470 4.512 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(-c3ccccc3)s2)c1 18702552 LDPWUQLHEBGMRL-UHFFFAOYSA-N 367.474 4.654 0 40 FJAB O=C(Nc1ccccc1)OCC[C@@H]1CCCCN1C(=O)Nc1ccccc1 19075427 KGBYSNTWLWXLSW-IBGZPJMESA-N 367.449 4.712 0 40 FJAB CCOc1cccc(CNC(=O)c2ccccc2CCc2ccccc2)c1 20035956 HLAFMDGFDFZNAH-UHFFFAOYSA-N 359.469 4.801 0 40 FJAB O[C@@](CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(F)cc1 20365952 UCHRBQPSBFRIHH-NRFANRHFSA-N 355.840 4.505 0 40 FJAB Cc1[nH]c2ccccc2c1CC(=O)N(Cc1ccco1)Cc1cccs1 24463355 MRZONGNVFNLWIM-UHFFFAOYSA-N 364.470 4.902 0 40 FJAB CC[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(C)cc1 24706992 ZOYPQJHCWLGUKC-LBPRGKRZSA-N 357.322 4.501 0 40 FJAB CCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27992673 BYWJGXUBVHYKJY-UHFFFAOYSA-N 354.381 4.912 0 40 FJAB COCCc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 32899817 XGHVEAXFVUDHTB-UHFFFAOYSA-N 357.413 4.673 0 40 FJAB CN(Cc1ccccc1Br)C(=O)Nc1ccc(F)c(F)c1F 40097398 FAELOEFSSFVCHJ-UHFFFAOYSA-N 373.172 4.530 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 40114243 SXXJPSKMVJQOOJ-UHFFFAOYSA-N 361.825 4.558 0 40 FJAB OC1=Nc2c(ncn2-c2cccc(Br)c2)[C@H](c2cccs2)C1 40268451 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0 40 FJAB CCN(CC)c1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 59399012 KUQUUHXFSYIHLO-PDGQHHTCSA-N 354.837 4.531 0 40 FJAB CC(C)(C)c1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1 59484691 ZUQOAUXCEMCUPU-UHFFFAOYSA-N 363.461 4.733 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H](Nc5ccccc5)C4)c23)C1 60369890 QYUZIADLONNFBK-ZBFHGGJFSA-N 364.518 4.507 0 40 FJAB CC(=O)NCc1ccc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)o1 63630884 KDCVWKHTGBMPGJ-UHFFFAOYSA-N 366.364 4.725 0 40 FJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)cc1O 71287525 LWBXNFIKISJLRC-QGZVFWFLSA-N 373.478 4.694 0 40 FJAB CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215459 SCTBZBKHFKTOHC-SFHVURJKSA-N 359.514 4.923 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCCCC[C@H]1C[C@@H](O)c1cccs1 79046261 NAOPTJYMJGOFFW-DLBZAZTESA-N 362.470 4.787 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 84027097 DKOYHVDZEBBMKG-UHFFFAOYSA-N 360.369 4.541 0 40 FJAB O=C(c1c[nH]c2cccc(F)c12)N1CCC(Nc2ccccc2Cl)CC1 89814326 OGRRIYWPIPIPPY-UHFFFAOYSA-N 371.843 4.677 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)n1cc(C(=O)OC)c2ccccc21 222621280 RCKLPMIUYZSVFT-LJQANCHMSA-N 365.429 4.543 0 40 FJAB Cc1cccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222745297 OMMDGBKJDXJTCD-LJQANCHMSA-N 369.530 4.955 0 40 FJAB CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 222994620 NGMIFIHJBTVBJE-UHFFFAOYSA-N 353.846 4.750 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222996894 CSQWXWJUOGWUSV-WOJBJXKFSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccccc1 224806365 CIWCZFDCENIYQD-OAQYLSRUSA-N 369.530 4.631 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(F)cc1F)CC(C)(C)O2 225674213 QKYJTQLTJCDJFG-MRXNPFEDSA-N 362.445 4.862 0 40 FJAB Cc1ccc(C)c(C(=O)NCCSCc2c(F)cccc2Cl)c1 225739765 RHZCJKWPZURFIK-UHFFFAOYSA-N 351.874 4.759 0 40 FJAB CC(C)Oc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)c2ccccc12 225914516 SPYRYHCUNWZSSY-UHFFFAOYSA-N 371.477 4.601 0 40 FJAB COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 226337844 LQDMILLOELFTFE-MDZDMXLPSA-N 367.832 4.579 0 40 FJAB Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc(C)c1Cl 227145495 TUZFEDDYGVKSSO-UHFFFAOYSA-N 353.249 4.518 0 40 FJAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc21 409237831 JVZQRHGGYLBOOA-QCUKBLKESA-N 372.490 4.685 0 40 FJAB COc1ccc(Nc2nc(C(=O)N(C)[C@@H](C)c3ccccc3)cs2)cc1 524960126 BQGFFJQWYGSEGJ-AWEZNQCLSA-N 367.474 4.729 0 40 FJAB Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccnn3[C@@H](C)C3CC3)C2)cc1 573631223 POWZJCHWNMFPIY-TXPKVOOTSA-N 352.482 4.572 0 40 FJAB CC(C)Cn1ncc(NC(=O)NCc2cccc3occc23)c1C(C)C 952964392 WWOKUTNTJPBLNW-UHFFFAOYSA-N 354.454 4.730 0 40 FJAB Cc1ccccc1-c1ccccc1C(=O)OCc1c(C)nn(C)c1Cl 1126480841 LLHYUTHMICCLPI-UHFFFAOYSA-N 354.837 4.714 0 40 FJAB CCn1cc(Cl)cc1C(=O)Nc1cc(CCc2ccccc2)ccn1 1531834657 FZXZSLFVSYZBIR-UHFFFAOYSA-N 353.853 4.594 0 40 FJAB O=C(NC[C@@H]1CCc2ccccc2C1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1564460819 HLAUZAFUMNPHRA-QFIXIFRTSA-N 368.908 4.690 0 40 FJAB CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 1857793272 HLBPSKSQGOREQB-OAQYLSRUSA-N 366.505 4.698 0 40 FJAB CCOc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)ccc1OC 647257 PNOYEIZJINHSAS-UYRXBGFRSA-N 373.408 4.592 0 40 FJAB Cc1cccc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)n1 998864 WCCNFPVENIZKLF-UHFFFAOYSA-N 358.397 4.968 0 40 FJAB Cc1cccc(-c2noc(COc3ccc(C)cc3Br)n2)c1 2300878 YSGLVKMQEFRVHW-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 4043861 TZAODTSPIGJAHF-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCn1c(SCC(=O)c2ccc(C)cc2C)nnc1-c1cccs1 4516521 CJFQQORCZRAMIN-UHFFFAOYSA-N 357.504 4.618 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl 4659947 YARJFKJIUMXVDS-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc2c(c1)-c1ccccc1C2 4828312 MEBXEGKJWRQECG-UHFFFAOYSA-N 374.421 4.876 0 40 FJAB CC(=O)CCSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 5231171 YWNUEULLPRQZQA-UHFFFAOYSA-N 351.475 4.622 0 40 FJAB COc1cc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 6259150 FAQAGHDMEHFJRG-UHFFFAOYSA-N 361.441 4.783 0 40 FJAB CC(=O)c1cccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 6297969 GEISBHGNYBWOCL-UHFFFAOYSA-N 370.808 4.953 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 6657347 XQOLPMHZXPNKRI-MHWRWJLKSA-N 372.402 4.610 0 40 FJAB COc1cc(C(=O)N[C@H](c2cccs2)C(C)C)cc(Cl)c1OC 7120673 AWFQMYDSOBYNRK-HNNXBMFYSA-N 353.871 4.546 0 40 FJAB CC(=O)c1ccc(N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 7492994 IEHORJFLOKBLQO-UHFFFAOYSA-N 350.506 4.509 0 40 FJAB Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 8104918 HZXUCPVXUSAGAN-MRXNPFEDSA-N 350.487 4.933 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)o1 8776857 VWLBXZOUSKIPSN-AAEUAGOBSA-N 367.276 4.780 0 40 FJAB CCOC(=O)CSc1nc(-c2ccccc2)cn1-c1ccc(C)cc1 12574647 BNKVYVBUAMMKFV-UHFFFAOYSA-N 352.459 4.503 0 40 FJAB Cc1nn(C)c2sc(C(=O)Nc3ccccc3Oc3ccccc3)cc12 12920552 POQQLMMJFUACOW-UHFFFAOYSA-N 363.442 4.988 0 40 FJAB Cc1ccc(-n2c3c(c(SCc4cccc(C)c4)nc2=O)CCC3)cc1 15840438 KDCRJSIHRUFAIO-UHFFFAOYSA-N 362.498 4.630 0 40 FJAB Cc1cc2c(c(=O)o1)C(c1ccc(C(C)C)cc1)c1c(cc(C)oc1=O)O2 16756467 LDGZFPGICZJGFL-UHFFFAOYSA-N 364.397 4.619 0 40 FJAB CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)c1C 19691980 YSSBZLGZXASMKB-XMMPIXPASA-N 374.532 4.843 0 40 FJAB Clc1ccc([C@@H](Nc2ccc(Cl)cn2)n2nnc3ccccc32)cc1 19879877 LZKAONJCSJNEGK-SFHVURJKSA-N 370.243 4.792 0 40 FJAB CC[C@H](NC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc(OC)cc1 21836873 DABKTNFAKFZQNH-LBPRGKRZSA-N 373.667 4.932 0 40 FJAB Cc1cc(NC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)no1 30516895 TZVXLNMYHJGYNK-QGZVFWFLSA-N 360.385 4.733 0 40 FJAB CCC(=O)Nc1ccc([C@@H](C)NCc2cccc(Br)c2)cc1 30640344 NJGFPCDDSGZJIF-CYBMUJFWSA-N 361.283 4.648 0 40 FJAB CC(=O)c1ccc(OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 31533575 BOHDEZMWHHEALS-UHFFFAOYSA-N 374.440 4.698 0 40 FJAB Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1C 33481845 ZGYFKVQBHYFCFF-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccccc2F)CC1 39768304 ZWWVVVVHEMDTOS-UHFFFAOYSA-N 354.469 4.547 0 40 FJAB Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCC(C)C)o2)c1 39844157 DEBMEFIUNNENHK-UHFFFAOYSA-N 370.474 4.551 0 40 FJAB Clc1ccc(-c2nc(CSc3nnc4n3CCCCC4)co2)cc1 40012026 SOEYSXSSWIIJHN-UHFFFAOYSA-N 360.870 4.605 0 40 FJAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 48257150 ATSWIMWSISZUNY-GFCCVEGCSA-N 361.392 4.504 0 40 FJAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2ncccc2c1 58329085 YQXZHSDGAKBKBK-UHFFFAOYSA-N 354.409 4.990 0 40 FJAB C[C@@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1 58369564 FOTBVTTXRDXBFM-JTQLQIEISA-N 354.397 4.783 0 40 FJAB Cc1occc1C(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@H](C)C2 58504490 CKEHHDXWUORULX-NSHDSACASA-N 369.442 4.851 0 40 FJAB CC1CCN(C(=O)c2cc(Cl)c(Br)c(Cl)c2)CC1 59842937 APHIKSQLNUPRLW-UHFFFAOYSA-N 351.071 4.628 0 40 FJAB O=C(c1ccccc1Cl)N(CCc1ccccc1)Cc1ccccn1 62017885 ITOSXZMWNCDIJT-UHFFFAOYSA-N 350.849 4.620 0 40 FJAB COc1ccc(Cl)c(NC(=O)c2cccc(-n3ccnc3SC)c2)c1 64828892 DQCVKNNGEPYUCX-UHFFFAOYSA-N 373.865 4.509 0 40 FJAB Cc1cc(C)c(C(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1C 67206341 HRXDYXZTMYOISV-UHFFFAOYSA-N 370.924 4.579 0 40 FJAB Cc1ccc(CN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cc1 72390096 OODKBXQKLGMKID-QGZVFWFLSA-N 353.491 4.795 0 40 FJAB C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)c2ccccc2N(C(=O)OC(C)(C)C)C1 75091908 SVKVKDBFPTWAEK-DLBZAZTESA-N 370.493 4.767 0 40 FJAB CC(C)(C)CC(C)(C)NCc1nc(-c2cc(Br)cs2)no1 84169682 OMVIUBMWTSPUHF-UHFFFAOYSA-N 372.332 4.865 0 40 FJAB O=S(=O)(c1ccc(N[C@@H]2CCCCc3ccccc32)cc1)C(F)F 95350753 ZQPOXESLRNXDSS-QGZVFWFLSA-N 351.418 4.563 0 40 FJAB C/C(=C\C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(F)cc1 98055466 UDBJJZJHFDNYOL-VOGRQWBCSA-N 363.436 4.512 0 40 FJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NC(c1ccccc1)c1ccccc1)CC2=O 100931834 RLVRPDWBTNFNJU-DNQXCXABSA-N 361.485 4.678 0 40 FJAB Cn1c([C@@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21 106148660 RUGSSFZLHUQEQD-CVFMPKEZSA-N 373.500 4.605 0 40 FJAB CN(C)CCN(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 199425530 XEKHXJOAGUFFQT-UHFFFAOYSA-N 374.528 4.829 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1Cl 216339135 OBKIVJKNYTTYSO-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222949127 OKLNKMQDXIAJOU-KRWDZBQOSA-N 367.489 4.610 0 40 FJAB COc1ccc(C(=O)NC2CCCCCC2)cc1COCc1ccccc1 224457499 NFVSRQIHIYHROV-UHFFFAOYSA-N 367.489 4.865 0 40 FJAB COc1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225295612 NXBXFXHBPHURJV-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225793567 AEKXKDHCOOBLPV-UHFFFAOYSA-N 351.837 4.590 0 40 FJAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)c2c(OC)cccc12 257237110 HFEXXKXNFPXYBT-KVEZMUKJSA-N 370.489 4.730 0 40 FJAB O=C(NC1CCCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408619451 ILFGBPYHWCOUSG-UHFFFAOYSA-N 366.848 4.501 0 40 FJAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3F)n2)cc1 409389103 OSRUQJKUPYMPFU-UHFFFAOYSA-N 367.449 4.630 0 40 FJAB C[C@@H](NC(=O)NCC(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 606916014 DHXROVHCPBQIKN-LLVKDONJSA-N 356.775 4.930 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 646387 CZFMWCABUWOVGT-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 669277 KHALBAUTFDPYGL-LLVKDONJSA-N 368.658 4.817 0 40 FJAB COc1ccc(C(=O)CSc2cc(C)nc3ccc(OC)cc23)cc1 915692 PNGDJINRXJLHBH-UHFFFAOYSA-N 353.443 4.535 0 40 FJAB CCSc1nnc2c(n1)O[C@H](c1ccc(CC)cc1)Nc1ccccc1-2 996610 BEZUOEBCZDLUNP-GOSISDBHSA-N 364.474 4.716 0 40 FJAB Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1 1401141 MIKIUYQUNAFOMQ-UHFFFAOYSA-N 359.788 4.566 0 40 FJAB CCOP(=O)(OCC)[C@@H](Nc1cccc(C(=O)O)c1)c1ccccc1 1802518 KLGUKMWHCLXGFQ-QGZVFWFLSA-N 363.350 4.762 0 40 FJAB CCCCOC(=O)NC(Nc1ccccc1C)(C(F)(F)F)C(F)(F)F 2566657 VXUFBRMIFFBGRW-UHFFFAOYSA-N 372.309 4.754 0 40 FJAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccc(Cl)cc1 2580967 NKFRUBGRRCMOOP-HXUWFJFHSA-N 372.896 4.746 0 40 FJAB CCSc1nnc2c(n1)O[C@H](c1sccc1C)Nc1ccccc1-2 2740424 WVUYFCDMUCNJNI-MRXNPFEDSA-N 356.476 4.524 0 40 FJAB COc1cccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1 2961341 IDXSQWBMIAIKNQ-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB S=c1n(CN(c2ccccc2)c2ccccc2)nnn1-c1ccccc1 3043464 YQGDQALISYRIDM-UHFFFAOYSA-N 359.458 4.594 0 40 FJAB COc1cccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c1 3443488 LVEDPLOIYLXPQB-UHFFFAOYSA-N 374.465 4.687 0 40 FJAB CCc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4292014 SATNDFOLSLJURR-GMAHTHKFSA-N 355.441 4.886 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 5017612 BATNOXOVLRQUJW-NSHDSACASA-N 368.487 4.686 0 40 FJAB Cc1ccc2[nH]c(SCc3cc(=O)oc4c(C)c(C)ccc34)nc2c1 5357176 MURUJLDOGOMQKU-UHFFFAOYSA-N 350.443 4.887 0 40 FJAB Cc1ccccc1-c1cc(C(=O)NCc2cccnc2)c2ccccc2n1 5936166 QYHUMCFBIWKDJP-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 6942819 XCGBOLPWKDCAAW-UHFFFAOYSA-N 360.457 4.879 0 40 FJAB Cc1nnc(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)o1 7603600 IMFIDAIRZIBYPV-WQRHYEAKSA-N 362.410 4.902 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)o1 7987220 UXJBTLAXPNLOPM-AUECHBEKSA-N 352.459 4.617 0 40 FJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)o1 8130128 TVVMAYAGCCMAGR-NSHDSACASA-N 374.849 4.762 0 40 FJAB Cc1nc(Oc2ccc(C(N)=O)cc2)c2c(-c3cccs3)csc2n1 8735906 LKDJCKYJCRRFJD-UHFFFAOYSA-N 367.455 4.619 0 40 FJAB COc1ccc(-c2nnc(COc3cc(Cl)ccc3Cl)o2)cc1 9154801 VSFJGIUIPTWQHO-UHFFFAOYSA-N 351.189 4.631 0 40 FJAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ncc(Cl)c(Cl)c1Cl 11208863 SAJKTWISIYELHX-AWEZNQCLSA-N 355.652 4.923 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 12561923 ACBNQHVKSCSTTN-CYBMUJFWSA-N 358.869 4.585 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCC[C@H](C(F)(F)F)C1 12728032 VTTHCLMSBJZPMJ-GJZGRUSLSA-N 366.383 4.512 0 40 FJAB c1csc(-c2nc(Sc3nnc(C4CC4)o3)c3ccccc3n2)c1 12947692 PUCDDKFLKXGTEV-UHFFFAOYSA-N 352.444 4.770 0 40 FJAB CC(=O)c1cccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840199 YRVJBAMIISPINV-UHFFFAOYSA-N 356.472 4.564 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(Br)cc2)c2cccnc12 15840743 YDCFGEPJQUAJKL-UHFFFAOYSA-N 371.234 4.648 0 40 FJAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CCC[C@@H]2OC(C)=O 16321851 ZUSONHKRTFWOTR-GOTSBHOMSA-N 366.457 4.764 0 40 FJAB Cc1nc2cc(C(=O)N(C)Cc3ccsc3)ccc2n1-c1ccccc1 22764801 OJODARGPHZBWGR-UHFFFAOYSA-N 361.470 4.668 0 40 FJAB Cc1nc2sc3c(c2c(-c2ccc(Cl)cc2)c1C(N)=O)CCCC3 25008275 AMVQDZQCTGBSKE-UHFFFAOYSA-N 356.878 4.903 0 40 FJAB Cc1cccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)o2)c1 26050279 KLFCEZZMZJSHLV-UHFFFAOYSA-N 374.849 4.762 0 40 FJAB Cc1cc(CSc2ncccc2C(=O)NC2CCCCCCC2)no1 26361247 INUGPTAMMBUPHO-UHFFFAOYSA-N 359.495 4.513 0 40 FJAB CSc1ccc(C)c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 29268883 SDXUVRTUCZNOFF-UHFFFAOYSA-N 365.502 4.613 0 40 FJAB Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cs1 29515860 PENYAYLLXUPDIP-COAGQGPPSA-N 370.518 4.548 0 40 FJAB CCOc1ccccc1-c1noc(CSCc2ccc(OC)c(F)c2)n1 32778712 NTTGCSGBHQWBCA-UHFFFAOYSA-N 374.437 4.716 0 40 FJAB O=C1Nc2ccccc2Oc2ccc(NC(=S)Nc3ccccc3)cc21 36423808 XIWRQFOMLMIXKA-UHFFFAOYSA-N 361.426 4.854 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)c1 40097546 DPVLDXOOEBIQQC-SNVBAGLBSA-N 366.248 4.835 0 40 FJAB O=C(NCCc1cccs1)Nc1ccc(Br)cc1Cl 40103535 KPLBHDWFRICULU-UHFFFAOYSA-N 359.676 4.528 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CCCOc1ccc(Cl)cc1 40890155 UUBQTIJDLPMUQV-UHFFFAOYSA-N 354.233 4.800 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 44843310 FQTTWTNNKLVCBT-DLBZAZTESA-N 363.457 4.883 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)c2cccs2)c1 57508886 MCSDSTUYZNWAHN-JXFKEZNVSA-N 350.487 4.763 0 40 FJAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(Br)c2)c1 59503567 FIPWZMURGJEOSP-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CC(C)(C)c1nc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cs1 67963431 UIGCNZMLKAKZMK-CYBMUJFWSA-N 369.412 4.569 0 40 FJAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2)c1 69583249 UIRHQKUWLCQHJJ-JOCHJYFZSA-N 360.457 4.507 0 40 FJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)C)C3)c2)c1 72353822 LPGXHCNVHALMDV-OAQYLSRUSA-N 350.506 4.651 0 40 FJAB Cc1cccc([C@H]2CCCCN2C(=O)N[C@@H](C)Cc2c(C)noc2C)c1C 74363199 ZKEHFKQKXBJOJI-YCRPNKLZSA-N 369.509 4.776 0 40 FJAB O=C(Nc1ccc(O)cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 97164667 OUNOUUMHTHQPMS-UHFFFAOYSA-N 371.780 4.535 0 40 FJAB O=C(c1cc2ccccc2cn1)N1CCC(Oc2ccc(Cl)cc2)CC1 117181217 LYIADOVRDNVVRI-UHFFFAOYSA-N 366.848 4.572 0 40 FJAB Cc1c(Cl)cnc(NC(=S)NCCCc2ccccc2)c1Cl 223961476 OLDBLKHIWJGZMY-UHFFFAOYSA-N 354.306 4.616 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 225224651 YVAGLOFAIMWYRR-NHCUHLMSSA-N 369.505 4.991 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1OCC 225634370 BQMXHMQHEZNUHH-INIZCTEOSA-N 367.489 4.854 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)cc1C)CC(C)(C)O2 225680773 FKOOKSZLCOGUJH-GOSISDBHSA-N 370.518 4.901 0 40 FJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 225809487 NVJFJKKHVVZKLJ-UHFFFAOYSA-N 363.257 4.742 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)n1 225862800 DZFJQECEBXHJBE-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB CC(=O)N1N=C(c2cc(C)oc2C)C[C@H]1c1cccc(Cl)c1Cl 226817906 IABRXVYSFPHECJ-INIZCTEOSA-N 351.233 4.901 0 40 FJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1Cl 408619966 FDTLGFYQAABSCP-UHFFFAOYSA-N 371.223 4.872 0 40 FJAB CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 408624039 WSURXTNHHPANNE-UHFFFAOYSA-N 367.232 4.603 0 40 FJAB Fc1ccc2c(NC[C@@H]3CCCN(Cc4cccs4)C3)ccnc2c1 500463354 NHEGOOMNXZHWDX-HNNXBMFYSA-N 355.482 4.760 0 40 FJAB O=C(c1cccnc1N1CCCCC1)N1CCC[C@@H](C2CCCCC2)C1 1585620941 OFIZEXAPWLGMAY-LJQANCHMSA-N 355.526 4.504 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccccc2F)N1c1cccc(F)c1 1615153679 DVKYMKFFJXTJFP-PMACEKPBSA-N 370.443 4.627 0 40 FJAB CCCN(CCC)c1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 825327 KCLKFJVOXMQQQD-LJQANCHMSA-N 352.522 4.603 0 40 FJAB CCc1ccccc1NC(=O)CSc1nc2ccc(OC)cc2cc1C 875752 GAKQNHLEBHYZEW-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1C 949008 IJBZQGPTKOIVKQ-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB CC(C)CC[C@]1(CCN2C(=O)c3ccccc3C2=O)CCOC(C)(C)C1 2109283 OVYLWDWWNUZWFP-QFIPXVFZSA-N 357.494 4.684 0 40 FJAB biogenic COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl 2145280 BFCHNYBQSMYWKR-ZDUSSCGKSA-N 354.060 4.754 0 40 FJAB CNc1nc(SC)nc(Cl)c1Cc1ccc(OCC(C)C)cc1 2318772 PDEJZVPUNBMDJW-UHFFFAOYSA-N 351.903 4.519 0 40 FJAB CCOC(=O)[C@@H](Cc1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1 2342526 QFNHAFKXPXJJLP-LBPRGKRZSA-N 363.244 4.759 0 40 FJAB C[C@H]1CCCc2sc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c3c21 2357753 XUVXGTWCLSJDST-LBPRGKRZSA-N 363.490 4.512 0 40 FJAB COc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1F 2620450 RYYCGSUCOWFXNQ-UHFFFAOYSA-N 363.845 4.576 0 40 FJAB COc1ccc(Nc2ncc(-c3nc4cc(Cl)ccc4o3)cn2)cc1 3118134 XRFUEDZRWMMZTG-UHFFFAOYSA-N 352.781 4.690 0 40 FJAB O=C(OCc1nc2ccccc2s1)c1c2c(nc3ccccc13)CCC2 3247700 ZAWMFPGNGDIESV-UHFFFAOYSA-N 360.438 4.690 0 40 FJAB Cc1ccc(NC(=O)CSCc2ccccc2)c(Br)c1 3438273 KSRDIWUGVJVMCU-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(Cl)c1Cl 3575704 JFYQRGLSFGMCJQ-UHFFFAOYSA-N 353.201 4.562 0 40 FJAB O=C(NC1CC1)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12 3658357 YMZONOQZGNFXPZ-UHFFFAOYSA-N 354.862 4.932 0 40 FJAB COc1ccccc1[C@]1(CCNCc2ccccc2)CCO[C@H](C(C)C)C1 4043896 MCHNBXKKQKBCSE-BJKOFHAPSA-N 367.533 4.948 0 40 FJAB biogenic Cc1cccc(-c2nnc(NC(=O)c3ccccc3Br)s2)c1 4072096 IYUALHTWEJNTGC-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB COc1cccc(-c2ccc(SCC(=O)c3ccc(Cl)cc3)nn2)c1 4356539 QQXGUNLQSWZJDB-UHFFFAOYSA-N 370.861 4.781 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(c3ccccc3)CC2)cc1 4922632 GASUDSGMEHEKGI-UHFFFAOYSA-N 371.484 4.574 0 40 FJAB COC(=O)c1ccc(Cl)cc1NC(=O)c1csc2c1CC[C@H](C)C2 5235410 KVMXMPBDIRHANQ-JTQLQIEISA-N 363.866 4.565 0 40 FJAB COc1cccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)c1 5451938 ZSFCSNQAVMNROY-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)c(C)c1 5485968 PVTWXNQSCBJGAK-UHFFFAOYSA-N 374.465 4.625 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccc(Cl)cc2)CC1 5934427 ZHOGCLQVYWZFNP-UHFFFAOYSA-N 355.850 4.529 0 40 FJAB O=C(Cc1ccccc1F)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 6085246 ZODGJJZHXWZHGL-HXUWFJFHSA-N 372.443 4.798 0 40 FJAB CC(C)(C)NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 6186761 JLWDEWIREZLVHU-UHFFFAOYSA-N 371.289 4.656 0 40 FJAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(C)cc1 6743325 PMZRULWTWQIVSU-FQEVSTJZSA-N 361.441 4.673 0 40 FJAB Cc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C 6788144 FASVFONTYDWUDW-UHFFFAOYSA-N 353.554 4.515 0 40 FJAB Cc1ccc(-c2cc(NC(=O)COc3c(C)cc(C)cc3C)on2)cc1 8612376 SNQCDVCZUXAMEH-UHFFFAOYSA-N 350.418 4.593 0 40 FJAB aggregator Cc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)sc2cccc(F)c12 12737148 AVAVAJSRFRUHIW-UHFFFAOYSA-N 363.797 4.983 0 40 FJAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H]1c1ccccc1 12782456 CKDHIZSCPJSEBJ-HNNXBMFYSA-N 356.274 4.519 0 40 FJAB C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)c3ccc(F)c(F)c3)cc2C1 14675993 XPSBYXLGEURCLA-QWRGUYRKSA-N 364.413 4.579 0 40 FJAB C[C@H](Sc1ccccc1Br)C(=O)Nc1ccc(F)cc1F 16549033 ZZQOYEUOEUDISY-VIFPVBQESA-N 372.234 4.847 0 40 FJAB CCCCc1ccc(N2C(=O)CS[C@H]2c2cc(OC)ccc2OC)cc1 17198481 ABXPGKURMSZFGR-NRFANRHFSA-N 371.502 4.825 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CN(CC)CC)cc1 20106592 PKRRHVZJJPRQDI-NRFANRHFSA-N 368.521 4.941 0 40 FJAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)no2)cc1C 20896681 XFPXMPZJJPKUMW-UHFFFAOYSA-N 372.218 4.940 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)n(CC(F)(F)F)c1C 27067662 WBMXYHIABRKTAD-UHFFFAOYSA-N 374.790 4.890 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1F 27582779 UTVWPQLMMUSJDC-HXUWFJFHSA-N 374.887 4.826 0 40 FJAB CC(C)c1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2n1 27909871 LDLLRRAZVOCAEN-QFIPXVFZSA-N 360.457 4.572 0 40 FJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 30863815 MCQYXQNDUZQYAJ-MRXNPFEDSA-N 358.290 4.564 0 40 FJAB O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCC[C@H]1Cc1ccccc1 32786819 RYBYDWBTBDVUBC-AWEZNQCLSA-N 350.245 4.546 0 40 FJAB COc1ccc([C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1 38489533 TYVPPZAFHXXSIW-AWEZNQCLSA-N 364.367 4.735 0 40 FJAB COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44947051 KKPBCFYWBYRBOL-UHFFFAOYSA-N 358.441 4.510 0 40 FJAB COc1cccc([C@@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1 48253455 QWYUBEZUODFVGA-FQEVSTJZSA-N 352.409 4.826 0 40 FJAB CC1(C)CC(=O)c2ccc(OCc3cc(F)cc4cccnc34)cc2O1 58009462 OWRKRANPSJPKFD-UHFFFAOYSA-N 351.377 4.697 0 40 FJAB CCCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 58156834 UDVAPMDJBFUKLQ-NRFANRHFSA-N 360.501 4.897 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cc(F)c(F)cc2NC(C)=O)c1 58313770 DCZUFXGJQUKNCH-UHFFFAOYSA-N 370.808 4.551 0 40 FJAB Cc1ccccc1OCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 59475303 QLKFFLICLDBBOE-VQHVLOKHSA-N 350.245 4.510 0 40 FJAB CC(C)Oc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)no2)cc1 61997135 NJLYKNZMSNLDEL-UHFFFAOYSA-N 370.836 4.712 0 40 FJAB COc1cc(NC(=S)Nc2ccc(C)cc2F)c(OC)cc1Cl 71760573 OPEYCLYUZBVNEA-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CCOc1ccc(NC(=O)Nc2c(C)noc2C2CC2)c(C(F)(F)F)c1 95945365 POQFCKKURZGRCX-UHFFFAOYSA-N 369.343 4.922 0 40 FJAB Cc1ccccc1[C@H]1CC2=Nc3ncnn3[C@@H](c3ccccc3F)C2=C(O)C1 102614270 KVTBMWMQZFXXBB-QKKBWIMNSA-N 374.419 4.791 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Cl 218939824 LOTKNVUGVQGOGB-UHFFFAOYSA-N 359.853 4.987 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1C 219312352 XDDJODBFAISFGE-LJQANCHMSA-N 353.506 4.943 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219581207 OEEMWDVYYQECGO-ZWKOTPCHSA-N 371.452 4.710 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(Cl)c(C)c1 224201695 WMHONJPIRXNGER-UHFFFAOYSA-N 373.880 4.908 0 40 FJAB COc1cccc(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)c1 225552910 YMWOGRWFJLTQMS-UHFFFAOYSA-N 368.424 4.633 0 40 FJAB CCOc1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1 225588143 JSVPRHXQSBAOBQ-UHFFFAOYSA-N 360.548 4.863 0 40 FJAB CC(C)CC(=O)N[C@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257212466 CDNIJRMHMJWXCK-XSGQZRFPSA-N 359.510 4.579 0 40 FJAB Fc1ccc2c(C3CCN(c4cccc(C(F)(F)F)n4)CC3)noc2c1 566535195 SKGREJNAWGAAGP-UHFFFAOYSA-N 365.330 4.765 0 40 FJAB Fc1ccc(-c2cnc(Nc3ccc(CC[C@H]4CCCN4)cn3)s2)cc1 585262923 PRXYJWRJLMYWTD-QGZVFWFLSA-N 368.481 4.772 0 40 FJAB CCc1cccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 2087045657 XDNWFCUPDHMGBP-UHFFFAOYSA-N 354.479 4.503 0 40 FJAB CN(C(=S)Oc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 819699 WJVYVQYNRUSJKO-UHFFFAOYSA-N 362.454 4.739 0 40 FJAB COc1ccccc1OCc1nnc(SCc2ccccc2Cl)o1 876158 JIOZAWUYBDGHOW-UHFFFAOYSA-N 362.838 4.603 0 40 FJAB COc1ccc2ccccc2c1[C@@H]1NC(=O)c2c(sc3c2CCCC3)N1 989572 GZLVBTLLIWIHNR-LJQANCHMSA-N 364.470 4.643 0 40 FJAB O=C(O)c1cccc(CSc2ncccc2-c2nc3ccccc3[nH]2)c1 1329582 SVAMEIVICMBGEG-UHFFFAOYSA-N 361.426 4.615 0 40 FJAB O=C(Oc1cc(=O)oc2ccccc12)C(c1ccccc1)c1ccccc1 2205960 ABMJNCIXTGRTAR-UHFFFAOYSA-N 356.377 4.531 0 40 FJAB Cc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)c1 2393797 ICSQKTSLEZITQX-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1C[C@@H](C)C[C@H](C)C1 2427595 YKACPVQGBNFYJK-STQMWFEESA-N 360.548 4.655 0 40 FJAB CCOCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 2690490 PDFXBCXKHSUZFJ-UHFFFAOYSA-N 365.260 4.959 0 40 FJAB CCOc1ccc(OCc2ccc(-c3n[nH]c(=S)n3CC(C)C)o2)cc1 2791925 TWKJXDLVPHMUEX-UHFFFAOYSA-N 373.478 4.834 0 40 FJAB O=C(/C=C/c1cnc2ccccc2c1)NCc1ccc(Cl)c(Cl)c1 4052087 ZLSXOOUNCYOLBV-SOFGYWHQSA-N 357.240 4.871 0 40 FJAB Cc1ccc(C)c(CSc2nnc(NC(=O)C3CCCCC3)s2)c1 4328215 VXUZLOMTTJUPRA-UHFFFAOYSA-N 361.536 4.966 0 40 FJAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccc(Cl)cc21 4673030 QBXGGISCYWWRKD-XCLFUZPHSA-N 356.853 4.579 0 40 FJAB Cc1cc(C)cc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 6461108 MACBQDYDXBAHDJ-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCC1 6542649 KRQGTTISCSIWNB-UHFFFAOYSA-N 366.486 4.745 0 40 FJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)cc1 9935274 LFMCUXTZFLPIGS-BBVFFXRHSA-N 355.441 4.987 0 40 FJAB Cc1cc(C)cc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 10139729 NGQWGWVXQLTNMI-UHFFFAOYSA-N 361.489 4.603 0 40 FJAB Cc1nc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cs1 10643139 WHYCJZXKSANPIF-DUIUGDAFSA-N 366.511 4.701 0 40 FJAB CC[C@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccc(C)cc1 10966432 QUNSVOQIUWQXLY-IBGZPJMESA-N 350.466 4.510 0 40 FJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccsc1 12595436 GOYNTJSCMJWASD-UHFFFAOYSA-N 364.419 4.636 0 40 FJAB Cc1ccc(-c2cn(-c3ccccc3)c(S[C@H]3CCOC3=O)n2)cc1C 12627418 FSOYZMQKVBNDSG-IBGZPJMESA-N 364.470 4.564 0 40 FJAB O=c1ccc(-c2cccc3ccccc23)nn1Cc1c(F)cccc1Cl 12844660 VHNWJGJVCLQWJJ-UHFFFAOYSA-N 364.807 4.904 0 40 FJAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1Cl 14063251 WPFAJWKWHGQCQY-UHFFFAOYSA-N 374.799 4.714 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc(C)c1Cl 14396988 ZUXNCPBDATWCBQ-IRXDYDNUSA-N 359.897 4.862 0 40 FJAB O=C(OCc1ccccc1OC(F)F)c1cccnc1Oc1ccccc1 14853068 VZPNEMZZWBYWFJ-UHFFFAOYSA-N 371.339 4.832 0 40 FJAB O=C1C[C@@H](c2ccc(F)cc2F)c2sc(Nc3ccccc3)nc2N1 15110008 VBFVOUSSBOAPGM-ZDUSSCGKSA-N 357.385 4.639 0 40 FJAB Cc1cc([C@H]2NC(=O)c3ccccc3N2)c(C)n1-c1cccc(Cl)c1 15512672 BSWKVFDVNLHXDN-LJQANCHMSA-N 351.837 4.602 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(F)c2)c1C 19557970 ZVOJFOLATYYFDT-SFHVURJKSA-N 354.429 4.548 0 40 FJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)C2CCCC2)n1 19690861 UPEGXFBLQBBDJC-QFIPXVFZSA-N 366.480 4.974 0 40 FJAB CN1CCN(C/C=C2/c3ccccc3CSc3ccc(Cl)cc32)CC1 22035105 SYQCOJUTHOBPTA-UWVJOHFNSA-N 370.949 4.625 0 40 FJAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccccc1 22072651 QPULEBJURBBGIT-UHFFFAOYSA-N 368.234 4.840 0 40 FJAB Cc1sc(NC(=O)c2n[nH]c3ccccc23)nc1-c1ccc(F)c(F)c1 22744980 MRNIHBVOHRQKGP-UHFFFAOYSA-N 370.384 4.525 0 40 FJAB CC(C)/N=c1\ccccn1C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 23074328 HTYRLHMKZNGUHF-ZBJSNUHESA-N 365.502 4.733 0 40 FJAB Cc1ccc(-c2noc(CS[C@H](C)C(=O)Nc3cccc(C)c3)n2)cc1 28909005 QANFDTJESSSYIT-OAHLLOKOSA-N 367.474 4.614 0 40 FJAB O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccccc1Cl 32647518 RQBLCEJVTMKNJS-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB Cc1sc(NC(=O)c2cnn(C(C)(C)C)c2C)nc1-c1ccc(F)cc1 32932126 RGWBTZDRQKZGER-UHFFFAOYSA-N 372.469 4.770 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc23)cc1 35289379 YAZIIDRUSBWNGC-OAQYLSRUSA-N 373.456 4.783 0 40 FJAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 38755901 CZEYJVSTHMGICU-GOSISDBHSA-N 351.899 4.547 0 40 FJAB CCN(Cc1ccc(Br)s1)C(=O)Nc1ccccc1C 40095266 DPSLMAUOMFFLSZ-UHFFFAOYSA-N 353.285 4.873 0 40 FJAB C[C@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 48345926 ZYUTWOURBULKNR-SFHVURJKSA-N 373.452 4.779 0 40 FJAB COc1ccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 48990907 ANCSCZFSSJFFGM-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)NC2CCCCC2)cc1 57470389 JFKHNXAWLGHLAM-UHFFFAOYSA-N 352.438 4.785 0 40 FJAB Cc1cc(NC(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)no1 63784584 KVOILDCCYQNZHP-UHFFFAOYSA-N 360.373 4.968 0 40 FJAB Cc1cccc(NC(=O)NC(C)(C)C)c1NC(=O)c1ccccc1Cl 66089526 YUDYIQFDQPEDKX-UHFFFAOYSA-N 359.857 4.821 0 40 FJAB Clc1c(I)cc(Br)c2ccccc12 95611725 NHBOLVWAIGYQDG-UHFFFAOYSA-N 367.411 4.860 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccs2)C[C@H](c2ccccc2)C1 102839801 VWXPNFPDQMVROO-SJCJKPOMSA-N 364.430 4.760 0 40 FJAB CC[C@H](C(=O)NCc1ccc([C@H](O)c2ccsc2)s1)c1ccccc1 206689168 XBVWKPQPWJECOH-PKOBYXMFSA-N 371.527 4.701 0 40 FJAB CC(C)Oc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 219731991 HUYKQVREIPHNIY-UHFFFAOYSA-N 363.910 4.790 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223073342 XXNPJGUBXHGBDD-YCRPNKLZSA-N 355.453 4.739 0 40 FJAB CCc1ccc(CC)c(CNC(=O)COc2cc(C)ccc2C(C)C)c1 224109266 CJLTWVUYUQXJHB-UHFFFAOYSA-N 353.506 4.938 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(Cl)cc1 224161074 PIPGVJULRMEWMF-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 224179484 QDXJRUUAZAPQDB-GFCCVEGCSA-N 352.327 4.629 0 40 FJAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224664038 IJWJVHSAWBKJKN-UHFFFAOYSA-N 353.443 4.694 0 40 FJAB O=C(NCc1ccnc(-c2cccs2)c1)NC12CC3CC(CC(C3)C1)C2 225652544 JQXFTLNCGATTMO-UHFFFAOYSA-N 367.518 4.578 0 40 FJAB Cc1ccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 225776705 DVHWAYRNBVNIJT-LBPRGKRZSA-N 357.866 4.658 0 40 FJAB Fc1ccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 632700 SRTVKORQCLVMAF-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB COc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C)cc2c1 881239 FSWTUIJHCMWBSY-UHFFFAOYSA-N 372.877 4.936 0 40 FJAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(N(C)C)cc3)c2C(=O)[C@H]1C 1075226 RUIRRXOORKKSJZ-HOTGVXAUSA-N 359.473 4.616 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1OC 1339960 WJJXDBQYMMLVMK-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB Clc1ccc(-n2ncc3c(Nc4ccccc4Cl)ncnc32)cc1 1718477 KUCDJBRAPFMKFW-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB CCN(CC)CCCSCCCNc1cc(OC)cc2cccnc12 1729637 ZLKDFCKRFGFAKT-UHFFFAOYSA-N 361.555 4.511 0 40 FJAB O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](c2ccccc2)C1 2236075 FQIMGAFPOKQNDF-GOSISDBHSA-N 355.437 4.940 0 40 FJAB CCOc1cc2cnc(Nc3ccc(C(=O)OC)cc3)cc2cc1OCC 2422517 SWLFUIMQRIRYPG-UHFFFAOYSA-N 366.417 4.562 0 40 FJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3cc(C)ccc3C)o2)cc1 3292748 PIDHXUPSJNDVIP-CQSZACIVSA-N 368.458 4.726 0 40 FJAB CCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 3300699 HNYXBAGQVNJBTC-UHFFFAOYSA-N 367.474 4.525 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)c1 4078330 RGCNXWOTYHSUMB-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB CCCCCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 4093699 BIUHQYHDIDGROJ-UHFFFAOYSA-N 356.857 4.901 0 40 FJAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2cc1CC 4849212 DESKIBUWFXMWQA-UHFFFAOYSA-N 366.486 4.927 0 40 FJAB COc1ccccc1-n1c(/C=C/c2cccc(C)c2)nc2ccccc2c1=O 4899197 GEILHHBMLQAWPS-CCEZHUSRSA-N 368.436 4.873 0 40 FJAB COc1cc(CNCc2cccs2)ccc1OCc1cccc(C)c1 5019829 ZNSYFEPVEDKUHC-UHFFFAOYSA-N 353.487 4.934 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 5191735 KEZYQXGSKZDBTL-UHFFFAOYSA-N 352.912 4.796 0 40 FJAB COc1cc(CNC2CCCCC2)ccc1OCc1ccc(Cl)nc1 5272463 SYVLLAJNSBURQV-UHFFFAOYSA-N 360.885 4.745 0 40 FJAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 6245062 RTIDRHYFIIZWMW-UHFFFAOYSA-N 360.457 4.927 0 40 FJAB COC(=O)c1ccc(NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1 6266243 BZCBEORCUOPZMT-UHFFFAOYSA-N 371.487 4.509 0 40 FJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1F)N2 6630664 GEQRLDAKRIZPCH-UIAACRFSSA-N 355.409 4.637 0 40 FJAB S=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 6969987 ZKNPIYQLSCRAKO-UHFFFAOYSA-N 366.317 4.512 0 40 FJAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 7003212 ZDKDKWADGDWSFJ-MRXNPFEDSA-N 369.534 4.838 0 40 FJAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 7428488 JNIVCSMVDSPYKC-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB Cc1nc2c(cc(OS(=O)(=O)c3cccs3)c3ccsc32)s1 7813850 BENSBQSBSVONSP-UHFFFAOYSA-N 367.498 4.649 0 40 FJAB O=C(CN(C1=NCCCC1)c1ccccc1)c1ccc(OC(F)F)cc1 8436118 JCXLJKOOQCZGRG-UHFFFAOYSA-N 358.388 4.560 0 40 FJAB CCN(C(=O)[C@H](C)Sc1nccn1-c1cccc(F)c1)c1ccccc1 12732985 XBVKIDZRRPXAOX-HNNXBMFYSA-N 369.465 4.545 0 40 FJAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)c1nnc2ccccn12 15141081 VLRAOCGOZYFGRY-ZDUSSCGKSA-N 372.457 4.574 0 40 FJAB c1csc(-c2cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)no2)c1 16339574 CTPSFHZYZWXTNY-MRXNPFEDSA-N 368.458 4.511 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(O)c2ccccc12 24986091 LRBGMIGGZNEQDD-UHFFFAOYSA-N 358.397 4.690 0 40 FJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3)cc2c1 25765190 DPHBOFKBNRAFGA-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1C 26124157 BVWXJKSEGVYLAU-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1 27580967 KORJOAVNHCXSOV-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 32622127 NHUXFGIMXZYVPC-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 39143243 AYVXWNDWJXSNJK-GCJKJVERSA-N 350.506 4.798 0 40 FJAB O=C(NCC1CC1)c1cc(-c2nc3ccccc3s2)nc2ccccc12 58086435 UTPHYBUZESTSOH-UHFFFAOYSA-N 359.454 4.651 0 40 FJAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccccc1Nc1ccccc1 58291567 CSRWWMVAAPBMKZ-UHFFFAOYSA-N 356.385 4.733 0 40 FJAB C[C@@H]1CN(Cc2ccccc2NCc2c(F)cccc2Cl)C[C@@H](C)O1 58363132 WVYCSBMHJZKLMI-HUUCEWRRSA-N 362.876 4.700 0 40 FJAB Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1Cc1cccs1 58899652 UYUJPEPCDPMECS-UHFFFAOYSA-N 363.486 4.626 0 40 FJAB CC(C)CN(C(=O)c1ccc(-c2cccs2)[nH]c1=O)C1CCCCC1 63928316 LDUKEFRHOJFSDU-UHFFFAOYSA-N 358.507 4.534 0 40 FJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc2ccccc12 72228900 NVDFXPLKJLCESW-UHFFFAOYSA-N 356.429 4.544 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1cc(-c2ccccc2)on1 84560088 MDRUOJLKAZIDPB-UHFFFAOYSA-N 356.385 4.733 0 40 FJAB COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c1 85411882 WBXBVZZDNHORAW-KRWDZBQOSA-N 357.479 4.576 0 40 FJAB O=C(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccc2ccccc2n1 104271125 UBTQIRBRWDKAJS-UHFFFAOYSA-N 358.224 4.926 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 219316484 GUIGRPGDOKHGHL-QFIPXVFZSA-N 369.505 4.689 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1ccc(Cl)cc1 222636840 XNNAQEJYTAEELJ-MRXNPFEDSA-N 360.841 4.773 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccccc2C)cc1 222879938 VZIDTHRCPGFJDH-OAQYLSRUSA-N 371.546 4.764 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1C 222952746 JAJXIDDWIJPFAD-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)NC3CCCCCC3)o2)cc1 224855355 FDLQCOMMEBENTR-UHFFFAOYSA-N 356.466 4.512 0 40 FJAB CCc1ccccc1N(CC)S(=O)(=O)c1cc(Cl)ccc1Cl 224928318 KWNXFXKJZNAQOT-UHFFFAOYSA-N 358.290 4.771 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2cccc(C)c2C)c2ccccc2O1 225282802 AMXIYELBURZNNT-LJQANCHMSA-N 367.489 4.881 0 40 FJAB CC[C@@H](Nc1ncncc1-c1nc(-c2cccs2)no1)c1cccs1 225579277 HJIQHENFTHISHX-GFCCVEGCSA-N 369.475 4.880 0 40 FJAB COc1cc(C)c(C(=O)Nc2nnc(SC(C)C)s2)cc1C(C)C 225670764 ZSFHNGSGMAILLB-UHFFFAOYSA-N 365.524 4.731 0 40 FJAB O=C(CCSc1ccccc1)NCc1ccnc(-c2ccsc2)c1 225755098 OITXHCJROFIJFW-UHFFFAOYSA-N 354.500 4.609 0 40 FJAB CC(=O)O[C@@H]1c2cc(Br)ccc2O[C@@H](c2ccccc2)[C@H]1C 254905123 HFTDLEDPSINFHJ-AFBMGJRZSA-N 361.235 4.823 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccc(Br)o1 575620035 HTENUTLEKYCWEW-SNVBAGLBSA-N 364.264 4.618 0 40 FJAB CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)OCCO1 2049238430 SPFIKHYEPDYDPC-DVFOPUQSSA-N 360.538 4.689 0 40 FJAB Cc1cc(OCC(=O)Nc2nnc(C3CCCCC3)s2)ccc1Cl 646321 HFXSHCUGWBMWPT-UHFFFAOYSA-N 365.886 4.565 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C)C2 951632 XICDRPDCDGUCSB-SNVBAGLBSA-N 363.866 4.565 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)c4c(C)noc4C[C@H]32)C1 2097482 FLJCISDPSGXWGJ-XAFQUIJGSA-N 369.505 4.891 0 40 FJAB Cc1c(C(=O)CN2CCC(Cc3ccccc3)CC2)c2ccccc2n1C 2271596 YNZCBZISVSIMBV-UHFFFAOYSA-N 360.501 4.624 0 40 FJAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1 3008307 DMICCUFLTJQYEJ-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB O=C(Nc1ccc(F)cc1)c1nnsc1Sc1ccc(Cl)cc1 3105647 JZZNZTNDGNRJPF-UHFFFAOYSA-N 365.842 4.734 0 40 FJAB COc1ccc(-c2nc(NC(=O)CSc3ccccc3)sc2C)cc1 3218137 WWRXDXROPQCCAB-UHFFFAOYSA-N 370.499 4.858 0 40 FJAB COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(Cl)cc1 3234825 RPRRXUONCUJFAT-UHFFFAOYSA-N 354.789 4.542 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 3999155 VUUHTGJJJVCBFX-AKWHDMJJSA-N 372.509 4.514 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 4072134 JSWZAHQNIVMMSG-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OC(=O)C1CC1 4586184 KDIUFYVGRLKJHP-UHFFFAOYSA-N 360.365 4.830 0 40 FJAB biogenic CC1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1 4739879 UYEYZSBFRJIMLN-UHFFFAOYSA-N 358.869 4.594 0 40 FJAB CCN(CC)c1ccc(-c2nn3c(-c4ccccc4C)nnc3s2)cc1 5030633 FIDLUQGKBYAPDN-UHFFFAOYSA-N 363.490 4.674 0 40 FJAB COC(=O)c1c(NC(=O)c2oc3ccc(C)cc3c2C)sc(C)c1C 5032609 MAQVTLMSAZMZDM-UHFFFAOYSA-N 357.431 4.767 0 40 FJAB Cc1cccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 5547624 VFUQAUVFEIUISO-OAQYLSRUSA-N 355.441 4.585 0 40 FJAB COc1ccccc1Cn1c(COc2ccccc2OC)nc2ccccc21 5547635 CLTTZJPTXRECET-UHFFFAOYSA-N 374.440 4.681 0 40 FJAB COC(=O)c1sc2ccccc2c1NC(=O)c1nc2ccccc2s1 6440938 NVLWJPFGSHNPDR-UHFFFAOYSA-N 368.439 4.550 0 40 FJAB COc1ccc(COC(=O)COc2ccc(-c3ccccc3)cc2)cc1F 6552584 JQVXIAOCBPSPPS-UHFFFAOYSA-N 366.388 4.624 0 40 FJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2)N3)C1 6563944 ZGSMCKOMEXOSRU-MRXNPFEDSA-N 361.898 4.597 0 40 FJAB COc1ccccc1CNc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 6671189 DDPLPHAXGIWUGW-UHFFFAOYSA-N 355.463 4.578 0 40 FJAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc2c(s1)CCCCC2 6850151 TYPSAMXKIXFRID-UHFFFAOYSA-N 372.881 4.503 0 40 FJAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)cc2s1 7242014 KWHYRWLCCPBPJS-VIFPVBQESA-N 363.845 4.836 0 40 FJAB CCOc1ccc(CN(CC)C(=O)c2ccc3ccccc3c2)cc1OC 7272199 HLYPVENFIMLSII-UHFFFAOYSA-N 363.457 4.909 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)o1 7987219 UXJBTLAXPNLOPM-NKSUMMKUSA-N 352.459 4.617 0 40 FJAB C[C@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccccc3)c2c1=O 7995035 DSEKABOVHYNOPG-CQSZACIVSA-N 360.438 4.569 0 40 FJAB CC[C@H](C)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8326707 QFVHDUNORYVODJ-ZDUSSCGKSA-N 351.849 4.955 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(C(F)(F)F)c1 10641062 IBBXYGSCYWHBFO-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB O=C(c1ccccc1)C1CCN(C(=O)Nc2cccc3ccccc23)CC1 11008423 BBRWRZVOJMBXHG-UHFFFAOYSA-N 358.441 4.967 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1F 12550675 UECRLAOJRMDUGH-MRXNPFEDSA-N 355.457 4.564 0 40 FJAB COc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3ccccc3)co2)cc1 12552098 MTPKVRMOWINWLL-CQSZACIVSA-N 368.458 4.611 0 40 FJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3C)ccc2c1 12992654 OMWCBVVMQGPNTL-KRWDZBQOSA-N 362.473 4.616 0 40 FJAB COc1ccc(-c2nc3ccccc3n2Cc2ccc(OC)c(OC)c2)cc1 13039589 HMAAFDFLJWSLSL-UHFFFAOYSA-N 374.440 4.777 0 40 FJAB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1 16439813 NXRMNBIQANEQFI-KPKJPENVSA-N 350.727 4.904 0 40 FJAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc2ccccc12 17076280 IJAKUTCRDGTZRL-UHFFFAOYSA-N 372.449 4.825 0 40 FJAB O=c1[nH]c(-c2ccccc2Cl)nc2c1sc(=S)n2-c1ccccc1 18164642 OOLVEVCOXUJXKF-UHFFFAOYSA-N 371.874 4.825 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(C(C)C)cc1 20044394 PKTLZQONWDZGLZ-HXUWFJFHSA-N 359.897 4.980 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)c(C)c1 20492732 CAXWXXBVKAXHJS-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 20662132 SQGJUBNIIXRWSQ-UHFFFAOYSA-N 363.852 4.698 0 40 FJAB O=Cc1cc(Br)ccc1OCc1csc(-c2ccco2)n1 22517402 IFTHGZHDBKTHKX-UHFFFAOYSA-N 364.220 4.557 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 22524870 ALFIHRUMPOLGJY-GOSISDBHSA-N 356.469 4.740 0 40 FJAB Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)n1C(C)C 25077480 XAZFYYUTIUOZKN-KRWDZBQOSA-N 364.493 4.582 0 40 FJAB O=C(NCc1ccccc1)c1ccccc1SCc1cn2ccccc2n1 28264849 MURSLSLQDIEFLW-UHFFFAOYSA-N 373.481 4.557 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N(C)C)cc1 28289682 CSMGDRKQTQXLKW-LJQANCHMSA-N 364.489 4.699 0 40 FJAB C[C@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 28654815 SGZYTGWBJJEJCU-OKILXGFUSA-N 363.379 4.622 0 40 FJAB COc1ccc(NC(=O)c2cccc(C)c2C)cc1OCc1ccncc1 32833922 PBVACRUNGLNPLL-UHFFFAOYSA-N 362.429 4.538 0 40 FJAB N#Cc1cccc(/C=C/C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 32917888 FFBNFTKTRRPLSM-IZZDOVSWSA-N 371.465 4.897 0 40 FJAB O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1 36390890 YAYYRNMPFGJQGZ-UHFFFAOYSA-N 355.821 4.580 0 40 FJAB Cc1nc2ccccc2nc1COc1ccc(Br)cc1Cl 36619979 XGJCUNXXRPBNMN-UHFFFAOYSA-N 363.642 4.933 0 40 FJAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 38756427 CGGZXHOTJYCHLS-JTQLQIEISA-N 373.758 4.773 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cc(Cl)c(-n2cccc2)cc1OC 58168297 HELFZRBTUURHAU-UHFFFAOYSA-N 370.836 4.709 0 40 FJAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(C(F)(F)F)cc2)C1 72403346 QEKRISKDBGMGQW-AWEZNQCLSA-N 361.323 4.667 0 40 FJAB Cc1ccc(F)cc1NCc1nnc(-c2ccccc2Br)o1 102679796 YCYNRINCEZIPMA-UHFFFAOYSA-N 362.202 4.559 0 40 FJAB C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104751023 VIAOOBZFTHUCMZ-PASDCYSWSA-N 352.503 4.787 0 40 FJAB Cn1c([C@H](NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21 106148650 RUGSSFZLHUQEQD-YRAONVGVSA-N 373.500 4.605 0 40 FJAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106686933 MLNGXQIWOIXLSZ-BOPFTXTBSA-N 373.861 4.975 0 40 FJAB CCCSc1nnc(NC(=O)CSCc2cccc(Cl)c2)s1 223091304 ULJZWLVLZKOLQO-UHFFFAOYSA-N 373.956 4.566 0 40 FJAB CCSc1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 223325996 GQQSHQUABMXFFQ-UHFFFAOYSA-N 373.499 4.761 0 40 FJAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224903731 MNEFQOJVLHITEJ-UHFFFAOYSA-N 364.445 4.937 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 225578990 IMLCBSUSXSJVAQ-UHFFFAOYSA-N 373.880 4.816 0 40 FJAB CC1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2N)CC1 226265856 QGEKKHIVPVFGJS-UHFFFAOYSA-N 351.494 4.881 0 40 FJAB Cc1cc(F)ccc1C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 1128505709 BCNTWGXUMJQEEZ-UHFFFAOYSA-N 358.319 4.852 0 40 FJAB COc1cc2ncnc(NCc3ccc(Cl)c(Cl)c3)c2cc1OC 1405343 KPMXKYPZTWHGCZ-UHFFFAOYSA-N 364.232 4.566 0 40 FJAB CC1(C)C[C@@H](CNCC[C@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 1817166 VFBQBALYJXPYLA-CVDCTZTESA-N 359.554 4.698 0 40 FJAB biogenic CC(C)CCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033492 MMCIHAUPPBGAAN-IBGZPJMESA-N 361.489 4.599 0 40 FJAB Cc1cccc(NC(=S)NC(=O)/C=C/c2cccc3ccccc23)c1C 4676110 UDHTWJVKFBQPAC-BUHFOSPRSA-N 360.482 4.983 0 40 FJAB C[C@@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998166 VWZNQQOHWMURFU-CQSZACIVSA-N 355.482 4.792 0 40 FJAB CC[C@H](C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1 5083587 MAZMHSDHDCJPMG-SFHVURJKSA-N 363.486 4.788 0 40 FJAB CCN1C(=Cc2cc(C)nc(-c3ccccc3)[n+]2C)C=Cc2ccccc21 5316672 UBRISJAVIYTNDW-UHFFFAOYSA-N 354.477 4.776 0 40 FJAB Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1N1CCCCC1=O 5441816 UAZRBOWJDLHMLK-UHFFFAOYSA-N 358.441 4.917 0 40 FJAB O=C([C@H](Sc1nc2ccccc2s1)c1ccccc1)N1CCCC1 5457765 VGEDMFLMHURCTE-QGZVFWFLSA-N 354.500 4.752 0 40 FJAB CCCCOc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 6072720 ICNRHKIGEBNWQW-UHFFFAOYSA-N 369.490 4.781 0 40 FJAB COc1cccc(NC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)c1 6759988 QTHNWUDPVHAPFX-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB Cc1cccc(CC(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c1 6781368 SUMZEQYKBAEHIX-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)Nc1ccccc1 6848914 OOUVDMPVYJUWTN-FOCLMDBBSA-N 372.424 4.599 0 40 FJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Cl)cc1 6970668 DDDFTQLRVJXOAC-UHFFFAOYSA-N 363.642 4.696 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cs1 7918273 RPJOWCGOCCJAPB-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB CC(C)c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2n1 8074039 YYFTZUKFVCUMAG-UHFFFAOYSA-N 373.456 4.503 0 40 FJAB CCOc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 8768305 HSGMIQYDLGQDAV-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB c1ccc(-c2ccc(Cc3nn4c(-c5ccccn5)nnc4s3)cc2)cc1 10312394 CYYXJWYQPKXMCF-UHFFFAOYSA-N 369.453 4.506 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nc3c(s2)CCCC3)c1 11917339 WFNBGTIFEXYKLV-AWEZNQCLSA-N 358.507 4.860 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)cc1 12768388 BTKGPUZSSSZWNG-UHFFFAOYSA-N 356.834 4.651 0 40 FJAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1OC 12801323 GFFBHZPXAOVVGI-CYBMUJFWSA-N 364.445 4.562 0 40 FJAB CCOc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 12822412 BKBZPUIGHLSWMO-UHFFFAOYSA-N 368.458 4.682 0 40 FJAB CCN(CC)C(=O)C[C@]1(Cc2ccccc2Cl)CCO[C@H](C(C)C)C1 13655784 ABFDXIGXACACJB-FPOVZHCZSA-N 365.945 4.962 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 14258441 CNXJOEOJVFRKLJ-UHFFFAOYSA-N 358.441 4.683 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 20043379 OZKOXVSWWUPPOK-XXBNENTESA-N 359.469 4.977 0 40 FJAB CCCc1ccc(OCc2ccc(C(=O)N3CCC(C)CC3)o2)c(OC)c1 20123643 GDFVTPHQOZETTH-UHFFFAOYSA-N 371.477 4.692 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145050 IZTDWAVOXNOJRC-IZZDOVSWSA-N 353.805 4.744 0 40 FJAB Cc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1C 20411729 RGELKKLGMOSCQC-UHFFFAOYSA-N 368.458 4.731 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 20492584 VIFHCFQHTHFTSY-QFIPXVFZSA-N 369.505 4.689 0 40 FJAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(OC)c2)cc1OCC 20913581 DMDNTLUNTZBWGF-ZRDIBKRKSA-N 355.434 4.535 0 40 FJAB O=C(Nc1cccc(NC(=O)c2cccc3cccnc23)c1)c1cccs1 24028802 ACPGBMATPDRBQG-UHFFFAOYSA-N 373.437 4.801 0 40 FJAB CCN(CC)Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 30562008 LWVVNFWXZVWTPN-UHFFFAOYSA-N 372.538 4.680 0 40 FJAB Cc1nc2c(-c3ccccc3)nc(=O)n(Cc3ccc(Cl)cc3)c2s1 32616559 FNGDUIKJFBDGFE-UHFFFAOYSA-N 367.861 4.530 0 40 FJAB Cn1c(SCc2ccc(Cl)cc2Cl)nc2sccc2c1=O 36787885 FRJXKQGGEXCELK-UHFFFAOYSA-N 357.287 4.594 0 40 FJAB Cc1cc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)n(C(C)C)n1 38502666 VHVRRDYNQPAVTF-UHFFFAOYSA-N 371.491 4.553 0 40 FJAB CC(C)Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 40208001 SKMIDCIJBAMOSO-UHFFFAOYSA-N 369.896 4.708 0 40 FJAB CC(C)Oc1cccc([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)c1 49544587 DIUWOJJLBPSBQK-QGZVFWFLSA-N 359.495 4.850 0 40 FJAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2ccc(F)cc2)n1C 58195978 HLPGZRLFMQLNPD-CYBMUJFWSA-N 354.450 4.652 0 40 FJAB Fc1ccc(Cc2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 71890701 GFOFNSDBSQGFOG-UHFFFAOYSA-N 364.380 4.660 0 40 FJAB O=C(c1cnc2ccccc2c1NCc1ccccc1F)N1CCCCC1 72328447 JMNUSKUFKJQBRV-UHFFFAOYSA-N 363.436 4.612 0 40 FJAB Cc1nc2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)ccc2n1C 78418432 CIVOBZYWVPNCNU-UHFFFAOYSA-N 369.468 4.575 0 40 FJAB Cc1c(-c2nnc3sc(-c4ccc(F)cc4)nn23)oc2ccccc12 96194128 JPRHBVNWODGIFJ-UHFFFAOYSA-N 350.378 4.714 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@H](C1)N2C1CCCC1 100424309 XOFSOZZLVGGLOF-RTBURBONSA-N 361.917 4.790 0 40 FJAB O[C@@H](Cn1/c(=N\C2CCCCC2)sc2ccccc21)c1ccccc1 100503443 OOZYUQBAOMMERQ-XJUMHSELSA-N 352.503 4.670 0 40 FJAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)cc1c32 101078600 KCYHJTUJNXPPTH-AWEZNQCLSA-N 362.473 4.633 0 40 FJAB COc1ccccc1N1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102717459 OLZOJUMYBPVKDJ-UHFFFAOYSA-N 363.442 4.585 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(SC)cc3)N21 222642346 HVRAVKJTYAOKJW-JCGIZDLHSA-N 355.532 4.783 0 40 FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222840347 VOMNGXLZMNUVQB-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222959392 WACMGOIEFWKBFF-HUUCEWRRSA-N 357.881 4.864 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223466753 RLHZBDFMIWYHHW-DYESRHJHSA-N 355.478 4.655 0 40 FJAB CCCCCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224198280 RSLLQPMOPRFNGE-UHFFFAOYSA-N 355.478 4.811 0 40 FJAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224959584 RTPLOMFYGAFBKG-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB COc1ccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1F 225387531 GDLOUTXLGIWGDL-SFHVURJKSA-N 369.436 4.791 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 225408117 YVGZLQIXCCUHKM-HXUWFJFHSA-N 367.489 4.827 0 40 FJAB COC(=O)c1c(NC(=O)c2cc(C)c(C)cc2C)sc2c1CCCC2 225643574 HZWFCUAZHPSULR-UHFFFAOYSA-N 357.475 4.591 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(F)c(F)c1 225678817 HMVWVCJHNZKKHS-MRXNPFEDSA-N 362.445 4.862 0 40 FJAB COc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1OC 225760372 GYFMLYPNVFBCGP-LJQANCHMSA-N 358.507 4.696 0 40 FJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225840157 VDFPCLTWPFDJIR-KRWDZBQOSA-N 361.404 4.884 0 40 FJAB CCc1cc(Br)cc(C)c1NC(=O)/C=C/c1ccc(OC)cc1 226092368 WFWQROXOQXNLKS-JXMROGBWSA-N 374.278 4.980 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCC(C)CC1 226330123 MIHVEMUDVBWNCQ-UHFFFAOYSA-N 357.885 4.719 0 40 FJAB O=C(CCNC(=O)OCc1ccccc1)Nc1ccc(-c2ccccc2)cc1 408998550 MBJLSFDAABPAKD-UHFFFAOYSA-N 374.440 4.609 0 40 FJAB Cc1ccc(C)c(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 409383976 SMOTWOXJPGUJNK-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCC(C)(C)c4ccccc43)cc2)o1 608011372 LGFBDWDBZNLCAF-LJQANCHMSA-N 361.445 4.588 0 40 FJAB CCOc1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1F 1622930995 PLQNWSZSYNHBPL-RDJZCZTQSA-N 356.441 4.709 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c2ccccc12 1776004482 KZTUHPLEXDATHM-UHFFFAOYSA-N 361.850 4.611 0 40 FJAB Cc1cc(C)c(NC(=O)COc2ccccc2Br)c(Cl)c1 645477 DHPFONWMCLOBOS-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB Cc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1C 939181 SDHICQMKHKUREC-UHFFFAOYSA-N 351.413 4.648 0 40 FJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccccn1 1260279 VFIDWCBBTSEIMW-UHFFFAOYSA-N 368.223 4.755 0 40 FJAB Cc1cc(C)c2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2c1 1342999 YATHSRPOFPRTKG-NSHDSACASA-N 353.491 4.521 0 40 FJAB CCc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 1377695 USTOUUZXGBUVQB-OALUTQOASA-N 367.493 4.549 0 40 FJAB Cc1cc(C)cc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)c1 2294118 CLMMWNRCFYUWBF-OAQYLSRUSA-N 354.409 4.623 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1 2723695 UBEUOOAMABSEIH-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1Br 3195396 WSRKTUJRLZILCN-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 3349779 YAKZNQOVDKHORP-UHFFFAOYSA-N 352.301 4.935 0 40 FJAB COc1cc(/C=C/C(=O)Nc2ccccc2Cl)ccc1OC(F)F 3361059 FWTYLUHLDNYGNL-VQHVLOKHSA-N 353.752 4.602 0 40 FJAB O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1c1ccccc1 4704743 LNYYHIVVYZPSST-QGOAFFKASA-N 364.401 4.857 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4731460 LJTNRKKZITZCCZ-HXUWFJFHSA-N 361.445 4.585 0 40 FJAB COc1ccc(COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1F 4767024 KYBOZABHCSELBN-UHFFFAOYSA-N 364.587 4.547 0 40 FJAB CC(C)CN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 4886520 MFAPWULZOWUBMC-AYHJJNSGSA-N 365.974 4.668 0 40 FJAB Cc1cccc(CCNc2cc(C)nc3cc(-c4ccc(F)cc4)nn23)c1 4966821 HFMWEYKRGPMTSX-UHFFFAOYSA-N 360.436 4.807 0 40 FJAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[C@H](CC)C2 5476965 CEDWZPZGLPUQFW-LBPRGKRZSA-N 351.512 4.814 0 40 FJAB CCCn1nc(NC(=O)C2CCCCC2)c2cc3cc(OC)ccc3nc21 5561743 XDLHIPMRHYAHEM-UHFFFAOYSA-N 366.465 4.522 0 40 FJAB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)[C@]12CC(C)=C(C)CS2 5603138 YUFJUMYQSCNEET-INIZCTEOSA-N 354.397 4.640 0 40 FJAB Cc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)o1 6025320 VZCVPSRRHPZJJV-ARKBFRDHSA-N 371.440 4.578 0 40 FJAB Clc1cccc(CSc2nc3ncc(Br)cc3[nH]2)c1 6161181 HZULEEFDTAODER-UHFFFAOYSA-N 354.660 4.666 0 40 FJAB Cc1sc2ncnc(SCC(=O)c3c[nH]c4ccccc34)c2c1C 6790363 JKJJXFFBJGZOHO-UHFFFAOYSA-N 353.472 4.764 0 40 FJAB COc1cccc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2)c1 7158124 FTCOSSSEUSDXKV-UHFFFAOYSA-N 359.469 4.876 0 40 FJAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C 8086405 XIIDIDSTTISEHV-UHFFFAOYSA-N 350.487 4.933 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)c2cccs2)cc1 8193065 WPCJSFTVCKHWMF-UHFFFAOYSA-N 356.834 4.906 0 40 FJAB CC[C@H](C)NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8326676 NDPIKAANTMTUEH-ZDUSSCGKSA-N 351.849 4.955 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1NC(=O)c1ccco1 8340688 ITCWRNUEDISKIY-QFBILLFUSA-N 366.461 4.635 0 40 FJAB O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(Cl)cc1 8392300 LTLMCSPDXOWFLI-UHFFFAOYSA-N 365.860 4.626 0 40 FJAB CCN(Cc1cccs1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 9118419 FIJONTCOWZQAIJ-UHFFFAOYSA-N 361.470 4.749 0 40 FJAB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)c1 9456179 CQSLFTWAVLCMNU-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB Cc1ccc(CC(=O)Nc2nc3ccc(Br)cc3s2)cc1 10696638 CFEBAOJYKLHOQH-UHFFFAOYSA-N 361.264 4.548 0 40 FJAB Cc1ccc(C)c(OC(=O)CCc2ncc(-c3ccccc3F)o2)c1C 11469406 FWEDHEBCXFNMJD-UHFFFAOYSA-N 353.393 4.944 0 40 FJAB Cc1ccc(C2(C(=O)N(C)c3nc4c(s3)CCc3occc3-4)CC2)cc1 12181498 NGPKZMNAIYICGE-UHFFFAOYSA-N 364.470 4.505 0 40 FJAB Cn1c(-c2c(=O)c3ccccc3n3cc(C(C)(C)C)[nH]c23)nc2ccccc21 12535224 BIPZSNZEDZPMPF-UHFFFAOYSA-N 370.456 4.632 0 40 FJAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(C(C)(C)C)cc1 12901887 UQBYBXFTJJXKMF-LLVKDONJSA-N 361.536 4.773 0 40 FJAB O=C(NC1CC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 12913845 YCORKXGWTSPIMZ-INIZCTEOSA-N 354.208 4.531 0 40 FJAB CC(C)N1CCC(Nc2nc(-c3cccs3)nc3ccccc23)CC1 14138807 FDQYTNQTNKUMKQ-UHFFFAOYSA-N 352.507 4.643 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(OC(F)F)cc1 15797665 OIARZGUIQSUQCC-UHFFFAOYSA-N 359.781 4.605 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ccc(C)c(C)c3)ccc21 16811748 UEGWWPRZDTVVQA-HNNXBMFYSA-N 353.487 4.576 0 40 FJAB Ic1ccc(Nc2nc3ccccc3s2)cc1 20303619 FUKVZEBYEXUSHY-UHFFFAOYSA-N 352.200 4.645 0 40 FJAB CCCc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 22255004 AZLYKAKORBNHLQ-UHFFFAOYSA-N 360.866 4.920 0 40 FJAB O=C(Nc1cnn(Cc2ccccc2)c1)Nc1ccccc1C(F)(F)F 28220284 BZCNVTNEQHDJBU-UHFFFAOYSA-N 360.339 4.594 0 40 FJAB Cc1ccc(-c2noc(CSCC(=O)Nc3cc(C)ccc3C)n2)cc1 28908053 VRXYDKBDRDJIFY-UHFFFAOYSA-N 367.474 4.534 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)CCc2ccccc2)s1 29561899 BMMVEXRQWJJOHF-CQSZACIVSA-N 370.543 4.860 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1OCC 30859827 SODURQNVUGBZEX-GOSISDBHSA-N 369.505 4.911 0 40 FJAB CCc1cc2cc(C)ccc2nc1SCC(=O)NCc1cccs1 35288866 ZABOLCGHGMGXSB-UHFFFAOYSA-N 356.516 4.576 0 40 FJAB C[C@@H](Sc1ccc(Br)cc1)c1nc(-c2ccco2)no1 40071925 WKEWFSKUUNOLEC-SECBINFHSA-N 351.225 4.945 0 40 FJAB Cc1cc(C)cc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 44883866 BYMFNMFEJVHEKN-XMMPIXPASA-N 359.469 4.896 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)NC3CCCCCCC3)o2)cc1 63889347 ZLWMZWQORHXMDO-UHFFFAOYSA-N 356.466 4.512 0 40 FJAB CC[C@@H](NC(=O)c1cccc(OC)c1OC(F)F)c1ccc(Cl)cc1 72233867 XYPCQHUBLDLCRU-CQSZACIVSA-N 369.795 4.831 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccccc1N1CCCCC1 84500228 JXBLNMUWKNJFIK-UHFFFAOYSA-N 374.444 4.512 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc4[nH]ccc34)cc2)n1 95474239 MYMPJUZUCSCTNK-UHFFFAOYSA-N 357.417 4.571 0 40 FJAB C[C@H]1C/C(=C/c2ccc(C#N)cc2)c2nc3ccccc3c(C(=O)O)c2C1 96767494 UIOWNRMNJKPHTG-VMOJBDSFSA-N 354.409 4.928 0 40 FJAB Clc1ccc(C2=C[C@H](c3cccc4ccccc34)n3nnnc3N2)cc1 102143720 UHBUDFLPBPIAIF-LJQANCHMSA-N 359.820 4.536 0 40 FJAB CCc1c(C)nc2c(-c3ccccc3)c(COc3ccccc3)nn2c1O 102623031 XPJNFHTVAIRVFF-UHFFFAOYSA-N 359.429 4.552 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 224054120 JAGKAUDZNGLVKR-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCCC3)o2)cc1 224911802 VKMIYPSBUULTRY-UHFFFAOYSA-N 362.429 4.643 0 40 FJAB CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2ccccc21 408712931 BWLDCEDPLIQWPR-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(Oc2cccc(F)c2)cc1 509946329 WQLQOXXECWSLGO-FQEVSTJZSA-N 351.425 4.519 0 40 FJAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1 575610110 KEWSGIGLPXGOHZ-NHCUHLMSSA-N 365.498 4.759 0 40 FJAB Cc1cc(C)n([C@@H](CNC(=O)Nc2ccccc2Cl)c2ccsc2)n1 888107225 IDCKXVWFSTWUKH-KRWDZBQOSA-N 374.897 4.626 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 783560 NHLFMOBFIGYBJG-LLVKDONJSA-N 361.228 4.948 0 40 FJAB Cc1c(NP(=O)(C(C)(C)C)C(C)(C)C)c(=O)n(-c2ccccc2)n1C 3204145 NASSVHLFNFGTOD-UHFFFAOYSA-N 363.442 4.771 0 40 FJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(Cl)c1 5578855 UJVPFHAKXCHFJI-UHFFFAOYSA-N 361.879 4.736 0 40 FJAB Clc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1 6438500 QWMNBTSUELGXRA-UHFFFAOYSA-N 368.912 4.788 0 40 FJAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4c(Cl)ccc2c34)cc1C 6850535 FNILZDOKRDSNHD-UHFFFAOYSA-N 364.832 4.709 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 8434648 HJGORKURWMNURI-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 9112560 MXSIXUJJHJJURA-QFIPXVFZSA-N 365.860 4.797 0 40 FJAB C[C@@H](Oc1ccccc1)c1nn2c(-c3ccc(Cl)cc3)nnc2s1 9227250 HTIBMENKFJPKQE-LLVKDONJSA-N 356.838 4.646 0 40 FJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C)c(F)c3)n2)c1 9909691 SBWOPXXRXDJKSH-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1c(F)c(F)c(F)c(F)c1F 10045317 JRTYKTDGKPFNBX-UHFFFAOYSA-N 367.273 4.553 0 40 FJAB CC1(C)Cc2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)ccc2O1 10298854 ODVBVQINANTBGG-GDNBJRDFSA-N 352.821 4.599 0 40 FJAB CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cccs3)nc12 10879692 DMHCMQYCPMTFCW-CQSZACIVSA-N 372.515 4.746 0 40 FJAB CCN(CC)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)c(C)c1 12422268 MQENZTCVXFOGDZ-UHFFFAOYSA-N 369.490 4.739 0 40 FJAB COc1ccc(-n2c(-c3ccccc3)c[n+]3c2CCc2ccccc2-3)cc1 12524179 DEMFRVLLVDEJFZ-UHFFFAOYSA-N 353.445 4.528 0 40 FJAB Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(C)c12 13719603 SPCYERLFDPMIBY-UHFFFAOYSA-N 351.475 4.601 0 40 FJAB COc1cccc(CN(Cc2ccncc2)Cc2ccc(C)cc2)c1OC 13989287 RCFWQZRBPIOJPX-UHFFFAOYSA-N 362.473 4.610 0 40 FJAB C[C@H](SC1=Nc2ccccc2CS1)c1nc2ccccc2c(=O)[nH]1 14138557 ZNOYMOACUPZLOC-NSHDSACASA-N 353.472 4.652 0 40 FJAB Cc1nn2c(=O)cc(-c3cccc4ccccc34)[nH]c2c1-c1ccccc1 14163584 PDDIEAWZIBMBAN-UHFFFAOYSA-N 351.409 4.818 0 40 FJAB COc1ccc(Cl)cc1-c1nnc2sc(/C=C/c3ccccc3)nn12 15109539 CSKFBUAIBQHPPL-JXMROGBWSA-N 368.849 4.685 0 40 FJAB O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1cccs1 15290859 NCAXWBRILCQFPV-CQSZACIVSA-N 355.290 4.831 0 40 FJAB Cc1nc2cc(NC(=O)/C=C/C3=Cc4cc(Cl)ccc4OC3)ccc2o1 15537641 GDVTUJSHTAZQGL-FARCUNLSSA-N 366.804 4.760 0 40 FJAB CCc1oc(-c2ccccc2)cc1-c1nn2c(C(F)(F)F)nnc2s1 19910145 MHXYKXQJMSZWGF-UHFFFAOYSA-N 364.352 4.694 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC)cc1 20491150 ABFQZCNZVQZZFV-SFHVURJKSA-N 363.910 4.578 0 40 FJAB CC(C)c1cc(C(=O)N2CCCc3ccccc32)c2cnn(C(C)C)c2n1 22560316 VOBMQFBQUUOYEC-UHFFFAOYSA-N 362.477 4.729 0 40 FJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C(C)(C)C)no1 24045330 RHJFBVQAWGSQOM-LBPRGKRZSA-N 369.494 4.679 0 40 FJAB CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27664252 MSUUIDWSCUEUBI-IBGZPJMESA-N 350.934 4.810 0 40 FJAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 30751892 NHKMRBWZZHMNBN-UHFFFAOYSA-N 364.489 4.501 0 40 FJAB CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 30938177 NLAIVDSSMYQABA-NRFANRHFSA-N 350.506 4.880 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(Cl)cc2)c1 36359444 FSJQLCDXIDSLDZ-INIZCTEOSA-N 353.809 4.658 0 40 FJAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccccc3)c3ccccc3n12 40484922 HODUXUXZSHLRJC-UHFFFAOYSA-N 369.399 4.504 0 40 FJAB Brc1ccc(OCC[C@@H]2CCCNC2)c(-c2ccccc2)c1 42770678 NGFAJPROYIRCDE-HNNXBMFYSA-N 360.295 4.885 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1 44905899 ZSGFEKSKZACRQP-LJQANCHMSA-N 350.506 4.780 0 40 FJAB COc1ccc(OC)c(NC(=O)CCc2ccc(Cl)cc2Cl)c1 46569717 KKBOVUKRGNCYQX-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB Fc1ccc(CN2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 49169415 HOQBLBLEFMOKEA-HNNXBMFYSA-N 357.816 4.519 0 40 FJAB biogenic,in-vitro CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 59186134 YQVYZDJUFVSXCO-ZSOIEALJSA-N 363.335 4.605 0 40 FJAB CC(C)(C)c1nc(-c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)no1 65493261 UMACGFJOTAKCKE-INIZCTEOSA-N 368.264 4.557 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1 71760558 GGXATHPMPULJGE-UHFFFAOYSA-N 369.421 4.788 0 40 FJAB CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215341 GYMCZHUKNAIDHB-SFHVURJKSA-N 359.514 4.923 0 40 FJAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccccc3)n2)s1 72375133 XOVWGKBKWIJVCX-KRWDZBQOSA-N 364.474 4.567 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)Cc1ccccc1NC(=O)OC(C)(C)C 95439319 PHVJMTKOBMXDFE-HNNXBMFYSA-N 366.461 4.554 0 40 FJAB CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 216849894 CYGVVBGSYVHHPJ-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc2ccccc2o1 219867584 SSPYVGHHLSJRPS-UHFFFAOYSA-N 362.429 4.701 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCCOc1ccc2ccccc2c1 223639343 SZAZDOACPGRUBS-UHFFFAOYSA-N 371.436 4.567 0 40 FJAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCC[C@@H](C)C1 225890610 PVRZVHRYHOTMFK-ZHRRBRCNSA-N 370.493 4.803 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cccc(C)c2)cc1 408700197 ZKSXTBARWUAPRJ-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O 409313327 IOXWJXZUCAWYOW-MHWRWJLKSA-N 359.834 4.585 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615120643 LVMFWQOGWHZWMF-QHCPKHFHSA-N 366.480 4.798 0 40 FJAB CCc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2OC)s1 1625123657 VROLLHAOXYKDGG-UHFFFAOYSA-N 353.443 4.944 0 40 FJAB CC[C@@H]1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1 661987 AHMKQDWONLHKCY-LLVKDONJSA-N 354.450 4.764 0 40 FJAB CC(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2 722328 LDRDCMKNXQZQAY-UHFFFAOYSA-N 364.470 4.991 0 40 FJAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(Nc2ccccc2)n1 1392036 UEHPTLLYMPWJHX-UHFFFAOYSA-N 352.459 4.583 0 40 FJAB CSc1nc2c(c(=O)n1C)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 2296586 QRTXIKWGXLGAAS-OAQYLSRUSA-N 354.519 4.563 0 40 FJAB COc1ccc(OC)c(NC(=O)c2cccnc2Sc2ccccc2)c1 3422501 OAOSWXYFXRKHFQ-UHFFFAOYSA-N 366.442 4.502 0 40 FJAB Cc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1 4173290 DNLVSZSEHJWLIB-UHFFFAOYSA-N 360.866 4.860 0 40 FJAB Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 4953258 YRPJEZIBXXIBTF-UHFFFAOYSA-N 368.440 4.559 0 40 FJAB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc2c(c1)Cc1ccccc1-2 5021761 CZAKTJUQVCKYFK-AQTBWJFISA-N 362.432 4.912 0 40 FJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F 5151101 KDSGEFWXLQJWCW-PTUXOGIPSA-N 369.480 4.703 0 40 FJAB CCOc1c(-c2ccc(OC)c(OC)c2)oc2ccc(Cl)cc2c1=O 5607547 HPMGNAAHQZOSBE-UHFFFAOYSA-N 360.793 4.529 0 40 FJAB Cc1ccc(Nc2nnc(SCc3cn4ccccc4n3)s2)cc1C 5624012 BNFCSAVUIHFUKQ-UHFFFAOYSA-N 367.503 4.839 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1 5655348 IYGFHGAZOXWAIN-UHFFFAOYSA-N 368.241 4.725 0 40 FJAB COc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 6174945 VGKSCBYNHHPJOO-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB CCOC(=O)c1c(C)[nH]c(-c2csc(Nc3ccc(OC)cc3)n2)c1C 6246716 KNRNKOXBYYIUGT-UHFFFAOYSA-N 371.462 4.684 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)oc2c1 6866984 VFAVFUBUQCDKMQ-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB COc1ccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 7094277 PSLBXVKQDZDSDN-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 7639094 JVWNLVDFZXLLBM-UHFFFAOYSA-N 363.417 4.992 0 40 FJAB Cc1nc2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2s1 7990896 LVHFVSMDQFYCMC-UHFFFAOYSA-N 374.469 4.920 0 40 FJAB COc1ccc(CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 8075350 UPFCBCXHZITENJ-UHFFFAOYSA-N 373.452 4.642 0 40 FJAB CCOC(=O)C1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 8325994 ZZRORDZMHDSWPU-UHFFFAOYSA-N 362.473 4.610 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 8448477 LDQLBQLROZJLGL-SNVBAGLBSA-N 359.731 4.645 0 40 FJAB Cc1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl 8571055 IOONNLMADHTYAI-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8717532 VCBJIRDVEMZHCI-SBUREZEXSA-N 367.537 4.715 0 40 FJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Br 8940722 IJTIZXKPRCIVOH-SNVBAGLBSA-N 372.184 4.959 0 40 FJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)O[C@@H](C)C2 12589275 IQTSUDXAIIIGKU-STQMWFEESA-N 374.868 4.501 0 40 FJAB CC(=O)c1ccc(SCC(=O)Nc2nc3c(C)cccc3s2)c(F)c1 12902567 PRBIEKOZGVNEES-UHFFFAOYSA-N 374.462 4.677 0 40 FJAB C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC=O 13410052 RAPGMQQTEPEGFO-DZFOVHIKSA-N 350.499 4.972 0 40 FJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13689160 YYSLXEGSFJRZNP-QGZVFWFLSA-N 365.498 4.824 0 40 FJAB CCn1c(CN(Cc2ccncc2)Cc2ccc(C)cc2)nc2ccccc21 13989316 SXDNGBWLECXHIQ-UHFFFAOYSA-N 370.500 4.962 0 40 FJAB Cc1ccc(C)c([C@@H](C)N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 14233867 KVZOMRKOXNTJCW-ZIAGYGMSSA-N 355.507 4.630 0 40 FJAB Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 15516910 LKPXKSJEWXMCIW-OAQYLSRUSA-N 372.534 4.599 0 40 FJAB CCOc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 15840183 DBSSALLPHCNVFA-UHFFFAOYSA-N 358.488 4.760 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3nsnc3c2)c1 15841308 FZAUQYHDNLHOIG-ZDUSSCGKSA-N 355.463 4.529 0 40 FJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4C)nc32)c1 15842225 MPFADPJOQWXELA-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB Clc1ccc(COc2ccc(Br)cc2CNC2CC2)cc1 16401753 RDXLZOTUUHRQQO-UHFFFAOYSA-N 366.686 4.934 0 40 FJAB C[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl 16694689 PVDIFMABMWKVGE-WDEREUQCSA-N 362.260 4.642 0 40 FJAB Cc1cccc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)c1 19960664 PSAKFOXYPRSNCL-UHFFFAOYSA-N 355.485 4.722 0 40 FJAB CSc1ccc([C@@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1 20030103 JRLDAYPTRSEMFY-GFCCVEGCSA-N 369.515 4.726 0 40 FJAB O=C(CCC(=O)c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 21046687 SEQLNGUMRMSIRZ-UHFFFAOYSA-N 371.458 4.781 0 40 FJAB CCc1cc2c(Sc3nnc(C)n3-c3ccccc3C)ncnc2s1 24060544 KSSINNCLAGSMAD-UHFFFAOYSA-N 367.503 4.602 0 40 FJAB Clc1ccccc1Cn1cc(CNC[C@H]2CCCO2)c2ccccc21 28428040 BXGBSOJSHQQDQO-GOSISDBHSA-N 354.881 4.612 0 40 FJAB CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)[C@H]1CCCc2ccccc21 29257907 SLOKVYJWVXQEEI-BBVFFXRHSA-N 369.848 4.618 0 40 FJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(Br)cc3)c2C)c1 29459993 PUUJQXPHDHITJL-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccc(C(C)C)cc1 30870862 LJZIPQJNZYXMKF-NRFANRHFSA-N 353.506 4.943 0 40 FJAB COC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 34852778 BNPKAZWKGDHAIE-OAQYLSRUSA-N 366.505 4.555 0 40 FJAB COc1ccc(CNc2ccc(Br)cc2)cc1Br 35038490 AEYPOCSSWWKNGP-UHFFFAOYSA-N 371.072 4.832 0 40 FJAB Cc1cc(Br)ccc1C(=O)c1ccc(Br)cc1 36829434 HMNMOLVDBUZFER-UHFFFAOYSA-N 354.041 4.751 0 40 FJAB CCOc1ccccc1CNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 38756640 ZGZIOXCWCAYKIQ-GOSISDBHSA-N 363.910 4.926 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 39772941 LYOUEHNSTPGBKD-UHFFFAOYSA-N 366.505 4.633 0 40 FJAB O=C(NCc1ccccc1)c1[nH]c2ccc(Br)cc2c1Cl 40142871 GRZONWXQKWHLBU-UHFFFAOYSA-N 363.642 4.514 0 40 FJAB CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1C 48364476 WMIZIFDYGASUDX-ZDUSSCGKSA-N 351.406 4.582 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H](NCc1cccs1)c1ccccc1 57024549 RFSZZHAMOCZYAR-FQEVSTJZSA-N 366.486 4.535 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(Cl)cc2)c1 59271779 SJDGEGOQJVDXDC-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 72427653 CMCRJQAVSCJCSF-LBPRGKRZSA-N 360.335 4.851 0 40 FJAB COc1ccc([C@H](NC(=O)N2CCC[C@H](C)CC2)c2ccc(F)cc2)cc1 84697642 VPUKAKQHTZVKON-HRAATJIYSA-N 370.468 4.755 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCC(CSc2ccccn2)CC1 85557685 ONKSKKMNINFFDQ-UHFFFAOYSA-N 361.898 4.771 0 40 FJAB Cc1nc(-c2cccs2)sc1CNC(=O)NCCCc1ccccc1 90592822 HXZZZSRJDQLKJU-UHFFFAOYSA-N 371.531 4.612 0 40 FJAB CCc1cnc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 174210249 RTUODATXGADPPR-UHFFFAOYSA-N 372.519 4.727 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 224969407 HEFUAILNXRCJKA-UHFFFAOYSA-N 355.488 4.634 0 40 FJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1C 225906554 SSPQFAYIHKETGQ-UHFFFAOYSA-N 364.530 4.985 0 40 FJAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@@H](C)C1 225911751 CKJGIILDXFXDQG-VFNWGFHPSA-N 356.466 4.557 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 408620693 IUAOKFBLBFVUAV-UHFFFAOYSA-N 374.868 4.976 0 40 FJAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1csc(-c2cccc(F)c2)n1 605366265 UGCFLIUASBHXNT-GLJUWKHASA-N 358.482 4.671 0 40 FJAB CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 1191828862 UMUWLDIFKYLBAL-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB C[C@@H](C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1)n1cccc1 1626636130 NPAAZFMVYMXUBV-HNNXBMFYSA-N 364.411 4.696 0 40 FJAB C[C@H](c1ccccc1)[C@@H](O)CN1CCC(c2ccnc3ccccc23)CC1 1645732884 OUHZAGFWWHYYQG-KOSHJBKYSA-N 360.501 4.579 0 40 FJAB CC(C)(C)c1ccc(CN2C(=O)C[C@]3(CCCc4ccccc43)C2=O)cc1 644704 VYXMARSFKBTTGY-DEOSSOPVSA-N 361.485 4.517 0 40 FJAB CCCc1nc2sc3c(NCCCOCC)ncnc3c2c2c1CCC2 2404420 UJGFBOSHUIHNMN-UHFFFAOYSA-N 370.522 4.519 0 40 FJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cc(C)ccc3C)o2)cc1 3292749 PIDHXUPSJNDVIP-AWEZNQCLSA-N 368.458 4.726 0 40 FJAB CCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 3371729 BPKXFUFPDSXOAU-UHFFFAOYSA-N 369.852 4.544 0 40 FJAB CSCC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 4864864 OWHWTSRCARSBKD-MRXNPFEDSA-N 374.897 4.832 0 40 FJAB Cc1cccc(-c2cc3nc(C)cc(NCCc4ccc(F)cc4)n3n2)c1 4966826 ISUICXSQMAIXAH-UHFFFAOYSA-N 360.436 4.807 0 40 FJAB CCc1cccc(NC(=O)C2(NC(=O)Nc3ccccc3)CCCCC2)c1 4967923 WAWLWKCFNKHFCD-UHFFFAOYSA-N 365.477 4.712 0 40 FJAB Brc1ccccc1CSc1nc(-c2cccs2)n[nH]1 5017914 OCNZHYRHKSRAEN-UHFFFAOYSA-N 352.282 4.588 0 40 FJAB COc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCCCC4)c1 5100531 OLSMODLOHFMPDI-UHFFFAOYSA-N 350.414 4.650 0 40 FJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCC2)cc1 5235424 QJTFFRBOVKXHDK-LJQANCHMSA-N 364.445 4.518 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1 6788555 XFFOBYXWCSCZQG-ZDUSSCGKSA-N 368.458 4.605 0 40 FJAB c1coc(-c2cc(CSc3nnc(-c4cccs4)n3C3CC3)no2)c1 7546441 ADNULLYCFXSTAV-UHFFFAOYSA-N 370.459 4.882 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1CCCCCC1 7754158 HCVRDXRABUIIDL-VAWYXSNFSA-N 371.912 4.617 0 40 FJAB COc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1 8115292 HJJHWGZBWJSHNG-UHFFFAOYSA-N 362.429 4.615 0 40 FJAB COc1ccccc1CNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 8718507 VACWUMZCMJNMTQ-UHFFFAOYSA-N 367.474 4.698 0 40 FJAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 8762337 YELYQPCDQDZPOF-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1c1ccc(O)cc1 9422908 TXFYLOQBAAMDAT-LJQANCHMSA-N 350.805 4.817 0 40 FJAB Cc1ccc2c(CC(=O)Nc3ccnn3Cc3cccs3)coc2c1C 9447327 ZLYJAAMADDGATF-UHFFFAOYSA-N 365.458 4.537 0 40 FJAB O=c1c2sc(-c3ccccc3)cc2ncn1Cc1cccc(Cl)c1 12796615 HZWOHKORMQKGSD-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB O=C(CSc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 12899460 NFPICSNGONWWJO-UHFFFAOYSA-N 362.454 4.670 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)Nc1cc(Cl)ccc1F 14136952 BSQZHHJSJUKEDG-UHFFFAOYSA-N 352.843 4.845 0 40 FJAB Cc1nc(-c2cccc(NC(=O)CNc3ccc(F)cc3C)c2)cs1 15328314 DBPKLFDJDMFZCM-UHFFFAOYSA-N 355.438 4.617 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)c1 15832373 LCVNEAIWUKIESF-INIZCTEOSA-N 366.486 4.511 0 40 FJAB C[C@@H](Sc1ccccc1Br)C(=O)Nc1cc(F)ccc1F 16549034 NAZRNXJHMHEOOZ-SECBINFHSA-N 372.234 4.847 0 40 FJAB Nc1nc(Nc2cccc(Cl)c2Cl)nc(-c2cc3ccccc3o2)n1 16996500 IEPIIIDBHSPNNT-UHFFFAOYSA-N 372.215 4.917 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(OC)ccc1OC 20047941 POOCNISGXJJRTC-LJQANCHMSA-N 365.429 4.653 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccc(OC)cc1 22528477 NXIFZXJRFIMRHX-VQTJNVASSA-N 355.478 4.737 0 40 FJAB c1cncc(COc2ccc(CNCc3nc4ccccc4s3)cc2)c1 30546050 XFGPLYHESMJTED-UHFFFAOYSA-N 361.470 4.560 0 40 FJAB C[C@@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1(Cl)Cl 36791072 MIEJSVKEIFWVJI-MFKMUULPSA-N 350.698 4.577 0 40 FJAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(-c2nccs2)cc1 58081453 FKENXPGDANJBDV-YOEHRIQHSA-N 359.495 4.527 0 40 FJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2c1 72329786 IZNNPOFTKXTPJH-UHFFFAOYSA-N 352.242 4.683 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1cccc2c1ccn2CCC(C)C 79495551 FRVWODXSJCSOFD-UHFFFAOYSA-N 353.466 4.864 0 40 FJAB COC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)cc1F 96008708 KKNBNWQWYLWVHK-SJORKVTESA-N 370.424 4.870 0 40 FJAB CCC[C@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96114943 HZKLIACZBGWAQX-NQIIRXRSSA-N 353.547 4.558 0 40 FJAB biogenic Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 100425252 UJWHDFJSWJBSFF-VXKWHMMOSA-N 362.517 4.619 0 40 FJAB CSc1nc2n(n1)[C@@H](c1ccccc1C)C1=C(O)CC(C)(C)CC1=N2 102670961 OAFMBRIHFRZCTF-INIZCTEOSA-N 354.479 4.616 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1OC 216322345 BTNQDRCHRHIEFX-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB COc1cccc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(C)nc12 216608392 NZNAEGCMWKTWQL-UHFFFAOYSA-N 351.793 4.922 0 40 FJAB CCCOc1ccccc1CCCNC(=O)COc1ccc(C(C)C)cc1 218962163 ARUWSQCPVXBIBJ-UHFFFAOYSA-N 369.505 4.727 0 40 FJAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 219740690 AKHQJAXYWYDLGX-UHFFFAOYSA-N 359.425 4.957 0 40 FJAB CCCOc1ccccc1CCCNC(=O)c1ccccc1OC(C)C 219743784 KXJZPRUTLQFRPY-UHFFFAOYSA-N 355.478 4.625 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 222913494 CDRGHIYIGIDWBH-QGZVFWFLSA-N 355.434 4.509 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223218223 XYQDVJMSSDMGLH-IAGOWNOFSA-N 351.490 4.943 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223472759 GLPWPVXTDWTDQX-IEBWSBKVSA-N 355.478 4.655 0 40 FJAB COc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OC 225322585 PJLCCCBAUCEFOP-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225365803 XLKQKZDTICBEEQ-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 225438314 SATCIPCXFBMTQA-UHFFFAOYSA-N 370.880 4.537 0 40 FJAB COC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC(C)CC1 225639888 CEWVALQIURDBIV-UHFFFAOYSA-N 353.462 4.799 0 40 FJAB CCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225862344 HYACSUMNGXKBTA-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257293658 QQPLWEATVMAAQS-IBGZPJMESA-N 368.383 4.521 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)nc1)C1(c2cccs2)CCCC1 390832167 XSYZYSKOCILFPT-UHFFFAOYSA-N 352.459 4.531 0 40 FJAB Cc1ccc(C)c(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)c1 408528616 KAFNAWAUHCCUCZ-UHFFFAOYSA-N 362.473 4.882 0 40 FJAB CCOC(=O)CCCC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361154 SJTRJJPBRMLGKX-UHFFFAOYSA-N 356.262 4.640 0 40 FJAB Clc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1 1775971634 XUAYALVSSPFVNR-UHFFFAOYSA-N 355.810 4.652 0 40 FJAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)CC)c2ccccc2)C[C@@H]1C 824680 YDOOEADADLUVBV-OXJNMPFZSA-N 350.462 4.706 0 40 FJAB O=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1 993082 YPXVJSBZPLQOBN-UHFFFAOYSA-N 365.816 4.854 0 40 FJAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 1267318 VXSNJNAYJQVRQQ-UHFFFAOYSA-N 369.515 4.822 0 40 FJAB CCc1nc(SCC(=O)c2ccc(OC)cc2)c2c(C)c(C)sc2n1 1372122 BCXZKWMNTZLJID-UHFFFAOYSA-N 372.515 4.854 0 40 FJAB Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1 1401129 JQDJNQHGQZEBNX-UHFFFAOYSA-N 359.788 4.566 0 40 FJAB COC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@H](C(C)(C)C)C2 1909864 SQFNUVPYTHQRNV-LBPRGKRZSA-N 351.512 4.670 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CSC3)c1C 3008317 YVDDQOZJRADNST-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 3196168 HYYHQNBUQSCFPJ-UHFFFAOYSA-N 373.408 4.597 0 40 FJAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1C 4033390 GCPGREPYHRRPLC-SFHVURJKSA-N 361.489 4.830 0 40 FJAB CCOc1cc(CNc2cccc3nc(C(F)(F)F)[nH]c23)ccc1OC 4626018 ZEUGDQIUMKFCAO-UHFFFAOYSA-N 365.355 4.601 0 40 FJAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2O)c1 5219470 JQOBMGNBYJTQIL-BUHFOSPRSA-N 354.409 4.570 0 40 FJAB O=c1c2ccccc2c(-c2ccccc2)nn1-c1ncc(Cl)cc1Cl 6078814 RBNYRNUFRRIPJT-UHFFFAOYSA-N 368.223 4.755 0 40 FJAB C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(F)cc1 6287987 VDYORZPXSVOSIR-KRWDZBQOSA-N 363.432 4.673 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCc3ccccc32)s1 6581704 YFGXVTPAZHRPRD-UHFFFAOYSA-N 366.461 4.780 0 40 FJAB C[C@@H]1CCCC[C@H]1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 6650675 VFBGUFSGNXJUPV-IEBWSBKVSA-N 361.489 4.653 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1cc(Br)ccc1Cl 6889117 GTWVETPRHIHDRG-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928897 CSDYVPHQFYHRGY-HUUCEWRRSA-N 371.864 4.812 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 7929110 ZXGRVHBDPAVYLN-SFHVURJKSA-N 365.473 4.639 0 40 FJAB Cc1ccc(CSc2nnc(NC(=O)c3cccc(F)c3)s2)cc1 8822135 VGPVNQRKIFOFHY-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB CCc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 9689921 LBKXXDIIAOMTGC-UHFFFAOYSA-N 354.431 4.717 0 40 FJAB Cc1occc1-c1nc(NCc2ccccc2F)ncc1-c1ccncc1 12222862 BRVVBOTZQWSLJJ-UHFFFAOYSA-N 360.392 4.858 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1cccs1 12769206 JUICIVBKKLBQFE-GFCCVEGCSA-N 356.472 4.553 0 40 FJAB Clc1ccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13720021 HMQLJTIYKMUOCM-UHFFFAOYSA-N 351.822 4.655 0 40 FJAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20036964 OXGVOLOKPNSWBY-UHFFFAOYSA-N 364.533 4.590 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 20454447 NDKYIGLQJXSZSZ-SFTDATJTSA-N 355.478 4.737 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 20494607 BGMVOGWCPVJABO-MRXNPFEDSA-N 369.939 4.853 0 40 FJAB Cc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1C 21006014 LOHUHQQTNXBNFM-UHFFFAOYSA-N 356.422 4.937 0 40 FJAB Cc1ccc2c(NC(=O)COc3cc(C)c(Cl)c(C)c3)cccc2n1 21595736 OGNJUOZUWQUGFD-UHFFFAOYSA-N 354.837 4.831 0 40 FJAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(O)c(Cl)c1 24248098 ZSDQORMWBIUUDF-CYBMUJFWSA-N 354.258 4.666 0 40 FJAB CC(=O)Nc1cccc(Nc2nnc(SCc3ccccc3)s2)c1 28967972 GJJGPHBJAUXJCV-UHFFFAOYSA-N 356.476 4.532 0 40 FJAB C[C@H]1CCCCN1[C@@H](C)CNC(=S)Nc1ccc(Cl)cc1Cl 36847560 FODGSWMIZSILCB-RYUDHWBXSA-N 360.354 4.543 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2c(F)cccc2F)C1 40287641 LSQQYFRNGHWLAU-GFCCVEGCSA-N 361.298 4.552 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)C1(c2cccc(F)c2)CCCCC1 70038469 LYUMTSLKFLEEIO-UHFFFAOYSA-N 364.464 4.868 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ccccn3)C2)n1 72356022 JIPHPLDEYRSMGI-QFIPXVFZSA-N 357.501 4.755 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cc(C)ccc1C 102202807 ZJQAVGJRZNJVRO-IERDGZPVSA-N 368.502 4.637 0 40 FJAB CSc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1 206945273 HFZAPPNIUKCICT-UHFFFAOYSA-N 368.527 4.781 0 40 FJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 224534305 JBWXHLBCPRQVTO-QGZVFWFLSA-N 364.961 4.885 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225336195 VUSKSBQZDHIKBX-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NCCCSCc2ccco2)c1 225593229 OKRHRBXFTQYGPR-UHFFFAOYSA-N 374.453 4.908 0 40 FJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(C(C)C)c(OC)cc1C 225667739 IKMDRRAUTTVYAT-NRFANRHFSA-N 367.489 4.943 0 40 FJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccccc1 257305247 SPBORDQHUNLTAW-KOMQPUFPSA-N 367.474 4.502 0 40 FJAB O=C(CCc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 409182465 LJVLIRWCRGVIOH-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 1369201 GKZBGZIXKACSPX-ROUUACIJSA-N 373.884 4.640 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc(C)c1C 1904973 IZNHGKZSDWBYOW-JXMROGBWSA-N 363.866 4.847 0 40 FJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccccc1F)CO3 2390910 KTWISMFTMDBFMO-UHFFFAOYSA-N 359.784 4.559 0 40 FJAB CC(=O)c1cccc(NC(=O)c2oc3ccc(Br)cc3c2C)c1 2658243 OFCFQJZLHYYIPH-UHFFFAOYSA-N 372.218 4.959 0 40 FJAB CC(=O)Nc1sc2c(c1C(=O)OCc1cccc(Cl)c1)CCCC2 3284645 LUPXLVLCORTBQO-UHFFFAOYSA-N 363.866 4.596 0 40 FJAB Cc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccc(F)cc3)cn12 4930911 YJTXWKBWVOWHNP-UHFFFAOYSA-N 369.396 4.902 0 40 FJAB O=C1NCc2ccccc2C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5186211 XXPLIHCNVJDGKT-UHFFFAOYSA-N 368.263 4.958 0 40 FJAB O=C([C@@H](Sc1nc2ccccc2s1)c1ccccc1)N1CCCC1 5457757 VGEDMFLMHURCTE-KRWDZBQOSA-N 354.500 4.752 0 40 FJAB O=C(CNc1cccc2ccccc12)Nc1ccc(Br)cc1 5687587 UJADDPAMBYWNLD-UHFFFAOYSA-N 355.235 4.653 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2c(F)cc(F)cc2s1 6251113 BNBBGKLRDLQHMI-UHFFFAOYSA-N 372.318 4.775 0 40 FJAB CC(C)/N=C1\S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1C(C)C 6324818 ZXFYSQXLYCWJRI-MMPDNZJGSA-N 373.305 4.788 0 40 FJAB CCCCc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 6342788 WUUOWYKRODNGNG-UHFFFAOYSA-N 354.475 4.965 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1cccc(Cl)c1 6377516 OVJYYLXXUCCQTM-ZHACJKMWSA-N 357.837 4.659 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc3ccccc3s2)c1 6789765 SDSNCOABVISRJZ-UHFFFAOYSA-N 368.502 4.766 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccccc3[C@@H](C)CC)CC2=O)cc1 7929124 CKZREKVUAVNJHF-WMZOPIPTSA-N 365.473 4.721 0 40 FJAB Cc1cccc(/N=c2\scc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 8076124 AXJKYZHRQKMCHU-XQDODVJUSA-N 350.487 4.936 0 40 FJAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)o1 8130135 TVVMAYAGCCMAGR-LLVKDONJSA-N 374.849 4.762 0 40 FJAB CC[C@@H](C)Nc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 10768101 PWKQEFXCXCIPKQ-GHMZBOCLSA-N 360.508 4.593 0 40 FJAB Cc1ccc(F)cc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11160107 SOOOGXPOJXIBFZ-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)s1 12763932 NBHIAXGVGBPNFW-UHFFFAOYSA-N 374.849 4.519 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1cccs1 14170709 AFKQICVFQHYPBS-UHFFFAOYSA-N 369.873 4.905 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 14506060 XGWPGYSDYMZYGD-UHFFFAOYSA-N 366.398 4.924 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 15585413 OLXXKSNBJVGBLL-UHFFFAOYSA-N 363.244 4.681 0 40 FJAB CCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 15832041 HFTITNOYAWASAF-UHFFFAOYSA-N 364.445 4.636 0 40 FJAB O[C@H](CNCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 16477486 OZCZPJDQSKAQJD-JOCHJYFZSA-N 367.876 4.742 0 40 FJAB O=C1N[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)Nc2ccccc21 17309210 PXAALIHNUZBZTK-HXUWFJFHSA-N 364.832 4.773 0 40 FJAB Cc1ccccc1Cn1cnc2c(-c3cccc(F)c3)csc2c1=O 23126019 YYTHHLJRRHRYPD-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB O=C(Cc1ccsc1)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 24981981 NUVZSLZUJOFSRG-FQEVSTJZSA-N 353.512 4.747 0 40 FJAB c1ccc(CN2CCO[C@@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1 25638892 OBTPBGRQJMCIAX-HXUWFJFHSA-N 372.468 4.601 0 40 FJAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)Nc1cccc2ncccc12 27491533 DNAUMJGPAUFUEW-OAHLLOKOSA-N 374.469 4.540 0 40 FJAB O=C(c1ccc(Br)s1)N(Cc1ccco1)Cc1ccco1 30471907 FWXVUQADAGMBJM-UHFFFAOYSA-N 366.236 4.539 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccccc2)CC1 39750660 GNQHJMOOIQKERZ-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)c3ccc(F)c(F)c3)c(C)c12 56226942 CHLJMQDXDKDIAC-UHFFFAOYSA-N 373.428 4.740 0 40 FJAB Nc1nc(-c2ccc(Br)cc2)cc(-c2cccc(Cl)c2)n1 71977612 MVDZXQQUAYAKIN-UHFFFAOYSA-N 360.642 4.809 0 40 FJAB Cc1ccccc1-c1noc([C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)n1 72305366 HECVVEXXZNXVJQ-AWEZNQCLSA-N 362.385 4.600 0 40 FJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72348609 GZUZWPBEJZMVSY-LJQANCHMSA-N 372.468 4.777 0 40 FJAB O=C(CC(=O)c1ccccc1)C[C@](O)(/C=C/c1ccccc1)c1ccccc1 101857787 MUWXSVQCTMZWEZ-YFDWJFFGSA-N 370.448 4.820 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 216268462 IOMCUKDBZIBUMV-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)ccc1Cl 222891852 QFEOHPDUQXIKIO-HNNXBMFYSA-N 353.849 4.885 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 223436459 IIPXYEAWUAUGMS-UHFFFAOYSA-N 366.266 4.655 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224267424 PGAVBIFFFCKEFK-UHFFFAOYSA-N 360.457 4.615 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3C)o2)cc1 224856592 GGNJCCFMEDIRSB-UHFFFAOYSA-N 364.445 4.928 0 40 FJAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 225315523 RRFSOYHDMMWKNQ-XMMPIXPASA-N 359.469 4.842 0 40 FJAB COc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1 225603069 DGWBMRYWJZZRIK-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)c(C)c1 225711048 HSPGDONKZXSVIB-SFHVURJKSA-N 370.518 4.836 0 40 FJAB Cc1ccc(C2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)cc1 225857694 JORDOULHKMVNSP-UHFFFAOYSA-N 368.502 4.522 0 40 FJAB CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1[C@H](C)O 257350307 WESDBOJFPODCAU-AXMVIYENSA-N 362.554 4.958 0 40 FJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(CC)cccc1CC 408556211 HCPKAZQBOQOVQD-UHFFFAOYSA-N 367.898 4.664 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)cc1 408698799 PPPNXWJJOBDSJY-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(OCC)cc1 408824273 GNFIPQYGAZZEDS-UHFFFAOYSA-N 367.474 4.809 0 40 FJAB CCN(C(=O)c1ocnc1C1CC1)[C@H](C)Cc1ccccc1C(F)(F)F 585083955 XNIHFNOWLPZJHU-GFCCVEGCSA-N 366.383 4.664 0 40 FJAB CN(C)C1(CNc2nc(C(F)(F)F)nc3ccsc23)CCCCCC1 1615566819 IEDLRNNJUXBVDM-UHFFFAOYSA-N 372.460 4.777 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)Nc1ccccc1Cl 1775967177 ILGSJPHJIPWLOL-CYBMUJFWSA-N 362.838 4.517 0 40 FJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2)cc1 814135 JOHFIFHJURHYAV-OAQYLSRUSA-N 360.413 4.562 0 40 FJAB Clc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Cl 845956 KLPBZYSFLSKQML-UHFFFAOYSA-N 373.203 4.807 0 40 FJAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(-c3cccc(Cl)c3)cc2n1 1340773 SEECMLGFTCWDCJ-ZIAGYGMSSA-N 354.885 4.840 0 40 FJAB Cc1cc(C)c(S(=O)(=O)c2cccc(Cl)c2C)c(OCC(C)C)n1 1386113 CVMASGYASJVYJF-UHFFFAOYSA-N 367.898 4.528 0 40 FJAB COc1c2c(cc3c(CCc4ccccc4)cc(=O)oc13)CCC(C)(C)O2 1633472 SLCCJFVICRGOKF-UHFFFAOYSA-N 364.441 4.690 0 40 FJAB COc1cc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(F)F 3254405 NPZOYVUJEBFZSD-VMPITWQZSA-N 367.779 4.910 0 40 FJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C1 4170634 JBAVQRWGAKWHRL-HZPDHXFCSA-N 361.445 4.522 0 40 FJAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(C)cc2s1 4359430 PTTVQDUVHLIUKO-UHFFFAOYSA-N 373.547 4.655 0 40 FJAB CCOc1ccccc1[C@H](c1ccccn1)c1ccc2cccnc2c1O 4369585 MKQGCHRJFARUDN-NRFANRHFSA-N 356.425 4.914 0 40 FJAB Cc1nnc2n1N=C(c1ccc(-c3cc(Cl)cc(Cl)c3)o1)CS2 4539930 GNGRLSPBKQBIAT-UHFFFAOYSA-N 365.245 4.511 0 40 FJAB CC1(C)OC(=O)C2(c3ccccc3-c3ccccc32)[C@H]1NC1CCCCC1 4747869 TZPRYYZAKOTJDB-NRFANRHFSA-N 361.485 4.579 0 40 FJAB Cc1ccc2[nH]c(C)c(CCNC(=S)Nc3cccc(Cl)c3)c2c1 5033811 VBGGXSIFHUASLK-UHFFFAOYSA-N 357.910 4.967 0 40 FJAB Cc1ccsc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5110271 CBIIOGNSQQEZIO-KRWDZBQOSA-N 369.417 4.732 0 40 FJAB Fc1ccc(-c2nnc(SCc3ccccc3)n2C[C@H]2CCCO2)cc1 5630501 KMEGMFUPWFSDOC-GOSISDBHSA-N 369.465 4.556 0 40 FJAB CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1-c1ccc(C)cc1 6155093 XXQMPIRYDBUNEN-UHFFFAOYSA-N 357.413 4.548 0 40 FJAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1F 6747630 FXJYLZBJMRVTOJ-UHFFFAOYSA-N 373.811 4.680 0 40 FJAB COC[C@@H](C)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 7643492 VUPBBSIHNXVPCZ-CQSZACIVSA-N 367.474 4.509 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)nc1C 7735486 DOSFCBIWYJINSJ-UHFFFAOYSA-N 360.435 4.774 0 40 FJAB O=C(Nc1ccc(F)cc1F)c1ccccc1OCCOc1ccccc1 7973436 SMUKXZYLMFGPDS-UHFFFAOYSA-N 369.367 4.675 0 40 FJAB Cc1sc(-c2c(Cl)cccc2Cl)nc1C(=O)N1CCSCC1 11865426 NXASHIZICMHYRL-UHFFFAOYSA-N 373.330 4.614 0 40 FJAB O=C(Cc1ccccc1Cl)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188093 WRCZTPMSUAMEGR-IBGZPJMESA-N 364.876 4.837 0 40 FJAB O=C(Nc1cc(Cl)cc2cccnc12)c1cnc(Cl)c(Cl)c1 12527271 HVADYDBASFKBBH-UHFFFAOYSA-N 352.608 4.842 0 40 FJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)cc1 12972987 FCUQKMZKDXUYGC-ZDUSSCGKSA-N 372.827 4.944 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1 12985167 WPSQPSMHRZIRTH-HOTGVXAUSA-N 367.493 4.890 0 40 FJAB CC(C)N1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 13691162 VSDQAZOZHMUOKO-UHFFFAOYSA-N 355.821 4.674 0 40 FJAB biogenic Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)C(C)(C)C 14258110 SFKXADADBCQNCM-UHFFFAOYSA-N 350.466 4.837 0 40 FJAB CCOc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)cc(Cl)c1OC 15581315 GQNHFEJLAVIQSW-RUMSDORHSA-N 373.880 4.980 0 40 FJAB Nc1c(Cl)cc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl 16489743 VAMCHZKJMUNVRX-UHFFFAOYSA-N 363.166 4.776 0 40 FJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc2ccccc2s1 18699397 NRIOILGWSXFOLT-UHFFFAOYSA-N 364.470 4.780 0 40 FJAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 20495644 LRFWFIIXRBSFSU-LLVKDONJSA-N 370.301 4.799 0 40 FJAB O=C(NCc1ccccc1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22071972 SZFOZYZPTJZJDG-UHFFFAOYSA-N 371.362 4.774 0 40 FJAB CCc1cccc2c(C(=O)CSc3nccc(C(F)(F)F)n3)c[nH]c12 26478461 ATTYXKYRSITVNP-UHFFFAOYSA-N 365.380 4.514 0 40 FJAB Cc1c(C(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)oc2ccccc12 28250931 YEMYAAPJMXUHPN-GOSISDBHSA-N 367.420 4.702 0 40 FJAB COc1ccc2cc(C(=O)N3CCC(CCc4ccccc4)CC3)[nH]c2c1 31257245 IIDMTTLMNWIXOT-UHFFFAOYSA-N 362.473 4.662 0 40 FJAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(Cl)cc1 32074161 AEDDQRPZLAXNRK-UHFFFAOYSA-N 365.776 4.501 0 40 FJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1-n1cccn1 36393360 PGLQTYPYDTVLRC-UHFFFAOYSA-N 357.413 4.704 0 40 FJAB CC(=O)c1nn(-c2ccc(F)cc2)cc1C(=O)c1ccc2ccccc2c1 36649143 PDWGFAMITPQMLD-UHFFFAOYSA-N 358.372 4.598 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1C 40478292 DETKHVCAHDZCHB-UHFFFAOYSA-N 370.250 4.708 0 40 FJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCCCCC2)cc1 44933081 JCPUNRHGILBFIT-HSZRJFAPSA-N 362.517 4.870 0 40 FJAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H](c2nc3ccccc3o2)C1 48164046 NJGSFFGCFLAFAT-HKUYNNGSSA-N 360.457 4.654 0 40 FJAB CC[C@H](C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 57464320 VBFLMZFUPXZVRO-NRFANRHFSA-N 361.489 4.641 0 40 FJAB Cc1nonc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 60855195 ZKIAPWHCSXDSQJ-UHFFFAOYSA-N 370.821 4.560 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3nccs3)cc2)cc1F 61206278 FNEJJQWHLYGRFL-YCRREMRBSA-N 354.406 4.610 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2)nc1 67296418 VRQFIMGDABEASC-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1C 72375797 NEUPZJBLTYHRNP-HXUWFJFHSA-N 359.477 4.569 0 40 FJAB C[C@@H](C(=O)Nc1cccc2c1ccn2C)c1ccc(C[C@H]2CCCC2=O)cc1 95477461 KIHKYUZMSJDMJW-VQIMIIECSA-N 374.484 4.832 0 40 FJAB CO[C@H]1CCCN(c2ccc(NC(=O)Nc3ccccc3Cl)cc2)C1 96122503 QYGHYPKEXPBLOW-INIZCTEOSA-N 359.857 4.599 0 40 FJAB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102660495 CKJQQOPCWXDMRU-UWJYYQICSA-N 356.429 4.652 0 40 FJAB Cc1noc2c1[C@H](c1cccnc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102721967 KXXSQQWERJZWPQ-JXFKEZNVSA-N 357.413 4.986 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 216313746 GWDJHOOZBDWYTE-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB CC1(C)C[C@H](NC(=O)COc2cccc3ccccc23)c2ccccc2O1 218913649 IRFJURUUBVJOMY-IBGZPJMESA-N 361.441 4.637 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223208891 JGSXBXBQFGVSBF-IAGOWNOFSA-N 359.469 4.973 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1C(C)(C)C 224173063 DEBWHLGDUHVYQM-UHFFFAOYSA-N 367.489 4.808 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225655860 GODKMUIDWGUKFT-UHFFFAOYSA-N 355.434 4.556 0 40 FJAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCCCC1 225899374 CEXGRFIHKSTOHC-UHFFFAOYSA-N 370.493 4.948 0 40 FJAB Cc1cc(Cl)c2[nH]c(-c3ccc(I)cc3)nc2c1 226343243 GWWQFOSTNYNGNI-UHFFFAOYSA-N 368.605 4.796 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1Cl 408585967 LTVJWGGAOUADEK-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB Cc1sc(NC(=O)c2c(C3CC3)cnn2C)nc1-c1cccc(Cl)c1 585114272 QZFBHRRVTUSGKK-UHFFFAOYSA-N 372.881 4.635 0 40 FJAB O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@]2(C1)CC2(F)F 650918989 PFZZKZBOHCCNHD-TZIWHRDSSA-N 355.428 4.661 0 40 FJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCC3(CC2)CC3)CC1 666976628 MANLUYFHWJEDCX-UHFFFAOYSA-N 359.897 4.732 0 40 FJAB Cc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1 1040904 DLZHZMJWOBYKNY-UHFFFAOYSA-N 350.281 4.878 0 40 FJAB Cc1ccc(OCCn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1980728 GVDSSGFIDQLMAZ-UHFFFAOYSA-N 362.454 4.512 0 40 FJAB CCCCCn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 2721546 HWEFVKFZPRNCJH-UHFFFAOYSA-N 367.468 4.728 0 40 FJAB COc1cc(C)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 3433812 YSGZHQYHDRDVGC-NSHDSACASA-N 355.217 4.683 0 40 FJAB COc1cc2c(cc1OC)[C@H](C)N(C1=Nc3cccc4cccc1c34)CC2 4064649 KHPNMCYMDZWRSQ-AWEZNQCLSA-N 358.441 4.868 0 40 FJAB biogenic O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)Nc1ccccc1 4305409 WTCGJECBRGFPFA-IBGZPJMESA-N 363.486 4.674 0 40 FJAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1cccs1 4849424 VMOUAPJZRRUDAN-UHFFFAOYSA-N 370.543 4.884 0 40 FJAB CC1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 4971299 SPDLANYHBBTKIM-UHFFFAOYSA-N 356.466 4.762 0 40 FJAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc2c(c1)OCO2 5705060 YYNMAFIWPXEJAD-UHFFFAOYSA-N 374.421 4.944 0 40 FJAB Cc1cccc(-c2c(NC(=O)c3ccccc3)n(C)c3ccccc3c2=O)c1 6804519 XWUDQHZUWGDAIB-UHFFFAOYSA-N 368.436 4.766 0 40 FJAB CC(C)CNCc1cc(Br)ccc1OCc1ccccc1F 6883565 RQKPQVLKSMFXMD-UHFFFAOYSA-N 366.274 4.913 0 40 FJAB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)c1OC 6965772 HJWGXJKGVBZCRF-PJSUUKDQSA-N 365.429 4.537 0 40 FJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7928679 REVCBLJDSOLHLZ-QGZVFWFLSA-N 365.473 4.641 0 40 FJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc2noc(-c3ccccc3)c2c1 9607332 OGTIBJGWKIRBHO-LJQANCHMSA-N 370.408 4.748 0 40 FJAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cccc(Cl)c1 9827855 BTCBFYFVCBGDHH-UHFFFAOYSA-N 364.788 4.950 0 40 FJAB Cc1cccc(C)c1NC(=O)CN1CCC(CCc2ccccc2)CC1 11154933 NZDLLKFGOKXOII-UHFFFAOYSA-N 350.506 4.587 0 40 FJAB O=C(CNc1ccc(F)cc1Cl)N[C@@H](c1ccccc1)c1cccs1 11157684 AOBFJLYYZGTYFY-IBGZPJMESA-N 374.868 4.858 0 40 FJAB CC(=O)N(c1nc(CN2CCc3ccccc32)cs1)c1ccccc1F 12534506 QUCCSRRUVBJQSS-UHFFFAOYSA-N 367.449 4.530 0 40 FJAB Cc1cccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1C 12601475 PIMNHTLUVOECAX-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB Cc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1 12750740 AKPPYDVOOLKRGR-UHFFFAOYSA-N 374.271 4.728 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1Cl 12991480 WUHLNWWAZNPZAR-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB Cc1ccc(OC(=O)c2cc3c(s2)CCCC3)c(Br)c1 13141633 HGSPDIUGUPCMPN-UHFFFAOYSA-N 351.265 4.917 0 40 FJAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1cccc2cccnc12 14093084 KHRRPRUFFLWVAB-UHFFFAOYSA-N 362.376 4.984 0 40 FJAB O[C@@H](CNCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 16477499 JBZYEXFQESNUTN-QFIPXVFZSA-N 367.876 4.742 0 40 FJAB O=C(Cn1cc(-c2ccc(F)cc2)[n+]2c1CCC2)c1cccc2ccccc12 16995468 GNAOSWZHHUFWSF-UHFFFAOYSA-N 371.435 4.564 0 40 FJAB COc1ccc(SCC(=O)Nc2cccc3ccccc23)cc1OC 20111799 HPZGICUNXNQICB-UHFFFAOYSA-N 353.443 4.588 0 40 FJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(F)c1 23053457 ZJBSEOKZHOLHJW-UHFFFAOYSA-N 373.815 4.582 0 40 FJAB COc1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1 30822830 QIRIWNLERPNKMF-UHFFFAOYSA-N 352.459 4.755 0 40 FJAB COc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3)c2)cc1 32750558 VXEQBWAWKUOKNM-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB Cc1cc(C)c(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)c(Cl)c1 36847485 CLQOWQIQBDGAFV-LSDHHAIUSA-N 353.963 4.506 0 40 FJAB Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@@H](C)C[C@@H](C)C2)cs1 37143142 QTVYKJVUZZSXBC-KZQNYRHTSA-N 370.518 4.548 0 40 FJAB COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1 38489531 TYVPPZAFHXXSIW-CQSZACIVSA-N 364.367 4.735 0 40 FJAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)c1 40284541 KNJWQWBVYMKTLD-HNNXBMFYSA-N 366.442 4.951 0 40 FJAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1 58224802 AZNKDYMNJUHLEC-HNNXBMFYSA-N 370.518 4.638 0 40 FJAB Cc1nc(C)c2c(C)c(C(=O)NC3(c4ccc(F)cc4)CCC3)sc2n1 64321407 SOKFXBFVMDXBFZ-UHFFFAOYSA-N 369.465 4.565 0 40 FJAB COc1cc(NC(=S)Nc2cc(C)ccc2F)c(OC)cc1Cl 65700998 DQOJOLLYTPQFFV-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CSc1ccccc1NC(=O)CN(C)c1nc2c(C)ccc(C)c2s1 70973866 OGKFMJJVYYYJTH-UHFFFAOYSA-N 371.531 4.710 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229852 DSKWGCDBCWZWFW-NRFANRHFSA-N 351.833 4.603 0 40 FJAB CCNc1cc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)ccn1 72311881 RJUISMXFKOEAQW-INIZCTEOSA-N 360.461 4.939 0 40 FJAB O=C(C1CCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357887 TUXSOUAKKGWXNB-HXUWFJFHSA-N 354.881 4.789 0 40 FJAB O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 97257106 PTZFBNQAQYAFLB-IAGOWNOFSA-N 371.362 4.633 0 40 FJAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(O)CCCC1=N2 102730389 XAMGXKWZATVINM-FQEVSTJZSA-N 356.429 4.790 0 40 FJAB c1ccc(C23C4[C@H]5N=N[C@@H]4[C@H]4[C@@H]5[C@@]2(c2ccccc2)[C@]43c2ccccc2)cc1 104288517 CFTZWOUSJQYYFS-YCZHSYNJSA-N 360.460 4.906 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)n1 109476525 ZNMFASAWVUWAID-UHFFFAOYSA-N 353.853 4.762 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(OC)cc1 223283721 CMSQELUTSPVRIG-KSFYIVLOSA-N 367.489 4.609 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NCCSC1CCCC1 224437934 KCTDWXYDGYCLIN-UHFFFAOYSA-N 361.935 4.504 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1cc(C)cc(C)c1 224535398 DRBLKKNGIWULKF-UHFFFAOYSA-N 353.462 4.517 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COCC(C)C 224743672 BBJZJICINNYQJA-INIZCTEOSA-N 373.468 4.888 0 40 FJAB O=C(CCCC(=O)N1CCc2cc(-c3ccncc3)ccc21)c1ccccc1 225638687 UCTILOLLSYCKRT-UHFFFAOYSA-N 370.452 4.691 0 40 FJAB CCn1c(SC(=O)c2ccc(Br)cc2)nc2ccccc21 408692379 LEVOIMGIPXEOSD-UHFFFAOYSA-N 361.264 4.751 0 40 FJAB FC(F)(F)c1ccnc(Oc2ccc(-n3ncc4ccccc43)cc2)n1 543976027 ZUJLUOLDHVXMSY-UHFFFAOYSA-N 356.307 4.627 0 40 FJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc2ncsc2c1 585147694 JONQZBUPHNDDFA-CYBMUJFWSA-N 354.456 4.513 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 755357 QBRUJNDVXIXQFA-UHFFFAOYSA-N 356.516 4.828 0 40 FJAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCC2 1088112 FLPOEJVHKZFPAT-JKSUJKDBSA-N 369.486 4.546 0 40 FJAB Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)[C@H]1CCOC1=O 1722664 BYVBDJDDIWQYLX-QGZVFWFLSA-N 358.441 4.961 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)ccc1Br 3093909 YLPJWAAJXGNSLA-UHFFFAOYSA-N 370.246 4.928 0 40 FJAB O=c1c2ccccc2sn1-c1nc2ccc(SC(F)F)cc2s1 3207228 ZLPOPTLOZQTOAC-UHFFFAOYSA-N 366.439 4.977 0 40 FJAB O=C(OCc1ccc(Br)cc1)c1cnc(Cl)c(Cl)c1 3253973 BEQUVMYLGCPKCX-UHFFFAOYSA-N 361.022 4.508 0 40 FJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(Cl)cc1 4167237 HJIBRLHHWVPSBE-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccccc1Cl 4450431 GFIAVWYCWQNCLS-OUKQBFOZSA-N 359.816 4.605 0 40 FJAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccc(CC)cc1)C2 4911812 GMXDKLFXMPMPLY-INIZCTEOSA-N 353.462 4.619 0 40 FJAB Cc1ccc(C2=NC(=C(Cl)Cl)[P@](=O)(c3ccccc3)O2)cc1 5277348 CWSSWYWKNRCARN-QFIPXVFZSA-N 352.157 4.980 0 40 FJAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C 6038228 RJOFTMNZINTFSZ-UHFFFAOYSA-N 374.440 4.843 0 40 FJAB COc1ccc(C(=O)Oc2ccc3nc(N4CCCCC4)sc3c2)cc1 7512639 PZHNQVXOJHDZAM-UHFFFAOYSA-N 368.458 4.514 0 40 FJAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 7602270 ZRNYPPTZXJWIKQ-UHFFFAOYSA-N 355.250 4.560 0 40 FJAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccccc3)n2)cc1 7643181 LJQULCJGBZAUMI-OAHLLOKOSA-N 350.487 4.934 0 40 FJAB Cc1cccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 7687974 IBQFZKXDWONQCC-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB CN(C(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCCc2ccccc21 7989372 FBOBOZTUCNVVFC-MRXNPFEDSA-N 355.438 4.977 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)c2cc(C)n(C)c2C)cc1 8051789 AROOSUZWRSAMQS-UHFFFAOYSA-N 350.418 4.695 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2C)n(C)c1-c1ccc(F)cc1 8080486 GPZGSAIMDSYMFT-XDOYNYLZSA-N 354.450 4.505 0 40 FJAB Clc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 8990518 XUJITADXQBIVGG-UHFFFAOYSA-N 363.833 4.721 0 40 FJAB Cc1ccc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1Cl 9318527 WMRXNEMBHZLMSB-CQSZACIVSA-N 367.836 4.527 0 40 FJAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cn1 10348418 QNRQROZGIHFKFU-GFCCVEGCSA-N 366.408 4.560 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1C 10442030 XFEYXOPCZATGMO-UHFFFAOYSA-N 352.217 4.731 0 40 FJAB O=C(NCc1ccccc1COc1ccccc1)c1ccc2ncsc2c1 11454128 QZBZKWHXHVTDTI-UHFFFAOYSA-N 374.465 4.805 0 40 FJAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 11614458 AIMCGNRAMZJYJL-NRFANRHFSA-N 367.404 4.851 0 40 FJAB C[C@H]1CCN(C(=O)c2ccc(Br)cc2)c2ccccc2S1 12767969 QDICEVADMMBBKY-LBPRGKRZSA-N 362.292 4.980 0 40 FJAB CCCCn1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 13018901 GGKXVSODJUWLLW-UHFFFAOYSA-N 359.779 4.916 0 40 FJAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616323 ICGWILJVOKAAHS-ZJSXRUAMSA-N 368.436 4.748 0 40 FJAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1 15729447 KEHXQYSRFNOMBC-UHFFFAOYSA-N 370.408 4.928 0 40 FJAB biogenic COc1cc(Br)c(CNc2cccc(Cl)c2)cc1OC 16194816 YAGLZVGGEAZMNR-UHFFFAOYSA-N 356.647 4.732 0 40 FJAB Cc1ccc(Cl)cc1-n1ncc2c(N[C@H](C)c3ccccc3)ncnc21 17121529 GLSFAGYVFYYVPW-CQSZACIVSA-N 363.852 4.950 0 40 FJAB O=C(NCCC1=CCCCC1)c1ccc(NC(=O)c2cccs2)cc1 17335093 HKPZVWRRVCFPGU-UHFFFAOYSA-N 354.475 4.621 0 40 FJAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccccn2)C1 19863932 CETFDPLMYJKLSN-UHFFFAOYSA-N 372.424 4.844 0 40 FJAB CSc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 21953837 QHXBAMMRLFXEPX-UHFFFAOYSA-N 373.528 4.805 0 40 FJAB Cc1ccc(C)c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 23229311 MLAOQQVCRNNFDB-UHFFFAOYSA-N 351.446 4.617 0 40 FJAB CCCCOc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 27992668 XGCFCLLFPMSARS-UHFFFAOYSA-N 354.381 4.912 0 40 FJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc(C2CC2)cs1 30637723 CDCDJIGJMNVMBP-UHFFFAOYSA-N 355.488 4.629 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccc(F)cc1)C1CC1 32894838 AHGNCLVXUBYDCX-UHFFFAOYSA-N 364.420 4.523 0 40 FJAB Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 36148707 BUCMXNIRVKGWMT-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 44816839 WJDOCKODGBQVBL-UHFFFAOYSA-N 364.470 4.735 0 40 FJAB CN(C)c1ccc(NC(=O)c2ccc3ncsc3c2)c(C(F)(F)F)c1 47885053 ADCLUNLTYXBJBH-UHFFFAOYSA-N 365.380 4.633 0 40 FJAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(C)=O)c(C)c1 48063987 ARJHSLCSAJTUDR-UHFFFAOYSA-N 374.440 4.881 0 40 FJAB CC(=O)N(c1ccc(F)cc1)c1nc(CN(C)[C@H](C)C(C)(C)C)cs1 58277659 HIDDUMUIQNUTNZ-CYBMUJFWSA-N 363.502 4.833 0 40 FJAB NCc1ccc(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)cc1 67894324 JOUBNTKWCYPUIS-UHFFFAOYSA-N 351.277 4.840 0 40 FJAB CC[C@@H](OC(=O)c1ccc(F)c(NC(C)=O)c1)C(C)(C)c1ccccc1 84718792 MZXDDBUULASZDV-LJQANCHMSA-N 357.425 4.697 0 40 FJAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccco1)c1cccc(F)c1 95349428 DKWMNSSPVVIKNI-IBGZPJMESA-N 371.795 4.609 0 40 FJAB CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3cscn3)cc2)CCO1 95993999 OWPZDFMGOAQFGA-HKUYNNGSSA-N 358.507 4.524 0 40 FJAB c1ccc2oc(-c3nnc4sc(Cc5c[nH]c6ccccc56)nn34)cc2c1 96194026 MODBWJPKMAMJMX-UHFFFAOYSA-N 371.425 4.671 0 40 FJAB Fc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3ncnc3N2)cc1 101237884 XLXATJPLVCGCQO-HNNXBMFYSA-N 361.207 4.780 0 40 FJAB Cc1c(-c2ccccc2)sc2ncnc(C3CCN(C(=O)O)CC3)c12 169810762 NLAVEDPPTDGRMG-UHFFFAOYSA-N 353.447 4.524 0 40 FJAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CCc1nnc(-c2ccsc2)o1 195567918 KJAFSQJOLGEFLJ-BPUTZDHNSA-N 362.495 4.735 0 40 FJAB Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 222559544 LJBWALRYTWACAV-ZDUSSCGKSA-N 351.837 4.596 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc2ccccc12 222872624 OSPMAMJLLHOTIO-FQEVSTJZSA-N 353.849 4.967 0 40 FJAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1C 223430582 DIVVJNRXRGBZSJ-KRWDZBQOSA-N 353.487 4.805 0 40 FJAB CSc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1 224981552 SWBPDWJMEGYOOA-UHFFFAOYSA-N 362.303 4.540 0 40 FJAB CCOC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225436855 PUNHBQZRTBSHDB-UHFFFAOYSA-N 360.457 4.652 0 40 FJAB Cc1ccc(C)c2sc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc12 225524867 YBOMTHPQZCWWGM-UHFFFAOYSA-N 362.495 4.691 0 40 FJAB CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(NC(C)=O)cc1 334157677 CZIZMAYPYWIYOT-UHFFFAOYSA-N 351.475 4.736 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 408650441 BFPABQHQUUDQHD-QZTJIDSGSA-N 365.473 4.775 0 40 FJAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 409195773 KTFLDDOCYJSDEK-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(C(C)C)cc1C(C)C 1307672072 NJYYLHQGADQWMI-QHCPKHFHSA-N 364.533 4.915 0 40 FJAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(OC(C)C)cc3)c2c1 949568 HSWLSABDYQGLGU-UHFFFAOYSA-N 350.418 4.861 0 40 FJAB Cc1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)no1 1047688 NWKGYDFEAXFMMD-UHFFFAOYSA-N 355.703 4.905 0 40 FJAB Cc1oc2ccc(OC(=O)/C=C/c3ccccc3)cc2c1C(=O)OC(C)C 1455567 WQBLYLGJMFCRJW-FMIVXFBMSA-N 364.397 4.925 0 40 FJAB biogenic COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Nc1cccc(Cl)c1 2330225 WGXCTKRZUMVFNY-UHFFFAOYSA-N 357.797 4.560 0 40 FJAB CC[C@@H](C)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3344280 FJMJSQGKEMMTAO-WSYSLRRZSA-N 363.436 4.606 0 40 FJAB Cc1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)cc1C 4372212 AHADGUUNVLDKSP-UHFFFAOYSA-N 353.491 4.584 0 40 FJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1 5155764 UVOCKBWJADXADZ-VJBWXMMDSA-N 369.480 4.703 0 40 FJAB Cc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2Cc2ccccc2)cc1 5257252 LLPZKXCJXCNRAR-JWGURIENSA-N 352.437 4.825 0 40 FJAB CCOc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 5498204 CKYGEKGWKAEQFJ-UHFFFAOYSA-N 360.413 4.737 0 40 FJAB CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(F)cc1 6226123 SDSCHZWKLIAWOW-UHFFFAOYSA-N 371.481 4.925 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc2cccc(C)c2nc1Cl 6302708 XKDKNQLZVHYSOJ-INIZCTEOSA-N 369.877 4.956 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6430961 IACCIMDPPYLSLM-UHFFFAOYSA-N 367.367 4.900 0 40 FJAB Cc1cccc(CSCCNC(=O)[C@H](C)SCc2ccccc2)c1 6504310 WZVKUHFFDIDJSJ-KRWDZBQOSA-N 359.560 4.666 0 40 FJAB COc1ccccc1NC(=O)c1cccnc1-c1nc2ccccc2s1 6669366 UCEXIDJEVUNDPC-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB Cc1ccc([C@H](C)C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087795 ZAJPOPIWXNBGOK-KRWDZBQOSA-N 373.500 4.635 0 40 FJAB Fc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccncc3)on2)cc1 12088736 UMOVYRDIQLCRLE-FQEVSTJZSA-N 351.425 4.993 0 40 FJAB COc1ccc(Cl)cc1NCc1cc2cc(C)c(Cl)cc2[nH]c1=O 12493136 ZHLCDAGXMPSJRZ-UHFFFAOYSA-N 363.244 4.764 0 40 FJAB CC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(C)cc1 12852191 MIEMEGHHUTVGOI-INIZCTEOSA-N 351.475 4.703 0 40 FJAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 12869186 VNKSCRMJLUTLSJ-JTQLQIEISA-N 367.232 4.647 0 40 FJAB O=C(O)c1sc2c(c1-c1ccccc1)N=C(O)C[C@@H]2c1ccc(O)cc1 15082261 IYCLKKRMAMTEDB-CQSZACIVSA-N 365.410 4.943 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20143953 KUUUTYPUUOXDSF-UHFFFAOYSA-N 365.429 4.580 0 40 FJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(F)cc4)nc32)c1 21801144 SOJIPIUSMXSJSO-UHFFFAOYSA-N 371.419 4.800 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1cccnc1NCCc1ccccc1 22072780 UTAIQVLSAKJQFG-UHFFFAOYSA-N 351.837 4.642 0 40 FJAB CC(C)c1ccc(-c2nnc(NC(=O)c3cc(F)ccc3F)s2)cc1 22587388 XHGCWCLWKHIQGU-UHFFFAOYSA-N 359.401 4.859 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)NCC3(N(C)C)CCCCC3)sc2c1 27580397 OMMXMNPTUQPQNO-UHFFFAOYSA-N 364.942 4.857 0 40 FJAB CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 38771591 NSGDUUFSJDSXCT-XMMPIXPASA-N 359.469 4.842 0 40 FJAB CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc2cccnc12 40103875 ZAAIPKJFJYRGQY-UHFFFAOYSA-N 370.250 4.661 0 40 FJAB O=[S@@](CCCOc1ccc(F)cc1)Cc1c(Cl)cccc1Cl 58132534 WLIDJDCOEICMBP-JOCHJYFZSA-N 361.265 4.850 0 40 FJAB COc1cccc2c1N(C(=O)c1csc(-c3ccccc3F)n1)CCC2 64784485 FSOJEFPWVLDZQN-UHFFFAOYSA-N 368.433 4.551 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 64983393 CGJHGWPVOPWAJG-SFHVURJKSA-N 352.478 4.700 0 40 FJAB O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1ccc(F)c(Cl)c1 75172179 GIPLNDDWFZZXPG-UHFFFAOYSA-N 358.760 4.705 0 40 FJAB COc1ccc(O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 80344395 HQNWIMYCNGLVML-FQEVSTJZSA-N 351.377 4.593 0 40 FJAB Cc1ccccc1NC(=O)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 85562287 HSCHCRRYIXEBJJ-QGZVFWFLSA-N 365.260 4.907 0 40 FJAB Cc1ccccc1-c1ccc(CN2CCc3nc(C4CC4)ncc3C2)s1 96125846 SWSXTKPXHCVRDV-UHFFFAOYSA-N 361.514 4.949 0 40 FJAB C[C@H](Oc1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193916 OFQBXUBLFMSDNN-LBPRGKRZSA-N 362.414 4.739 0 40 FJAB Cc1csc(C2=C(O)CN(c3ccc(Cl)c(C(F)(F)F)c3)C2=N)n1 102729895 AFLLNPRQOUSIIR-UHFFFAOYSA-N 373.787 4.890 0 40 FJAB O=C(CSc1ccc(F)cc1)N1CCS[C@@H](c2ccccc2)CC1 208040865 YNMQUMHEWCJGRZ-GOSISDBHSA-N 361.507 4.625 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219057549 IRGWNKOQMZLQHQ-BBRMVZONSA-N 359.853 4.526 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 219513917 ITZNSEPGAQWRFD-IBGZPJMESA-N 369.505 4.607 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222967943 FJBYGBJIZWIMQR-IRXDYDNUSA-N 351.490 4.773 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 223980046 IULSIKYVKWAHMI-LTGZKZEYSA-N 361.441 4.632 0 40 FJAB COc1ccc(NC(=S)NCCCSCc2ccco2)cc1Cl 225593572 HEQXQWUOCUOKIF-UHFFFAOYSA-N 370.927 4.552 0 40 FJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)NCc1cccs1 225626675 GWXAFJJUZYZNGF-UHFFFAOYSA-N 364.430 4.581 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCC(Oc2cccc3cccnc23)CC1 225705290 AGOTYLBPPSCUAU-UHFFFAOYSA-N 372.424 4.665 0 40 FJAB Fc1ccc(-c2cnc(Nc3ccc(C[C@@H]4CCCNC4)cn3)s2)cc1 585262742 BMWIDJDYSOJRGY-AWEZNQCLSA-N 368.481 4.630 0 40 FJAB Oc1ccc(Br)c(CNCCc2ccccc2C(F)(F)F)c1 1656966048 FUCRCIOZRBUOFL-UHFFFAOYSA-N 374.200 4.506 0 40 FJAB COc1ccccc1C1(C(=O)N[C@H](C)Cc2csc3ccccc23)CC1 1889056213 ZAKJGQNSJJOGHG-OAHLLOKOSA-N 365.498 4.689 0 40 FJAB CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc(C)c1C 755249 YVIUJODZJUXTKN-UHFFFAOYSA-N 352.843 4.839 0 40 FJAB CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc(C)c1C 755478 OYXKZDGDAHUXHC-UHFFFAOYSA-N 352.843 4.839 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2cccnc12 783561 GZBQZQVUASBCKO-NSHDSACASA-N 361.228 4.948 0 40 FJAB CN(C1CCCCC1)[C@@H](c1ccc(F)cc1)c1nnnn1C1CCCCC1 883956 SOKMNHUOJCZRKE-FQEVSTJZSA-N 371.504 4.671 0 40 FJAB Cc1ccc(-c2nc(SCC(=O)NC(C)(C)C)c3ccccc3n2)cc1 1367608 JAJUYSWBWAZQSM-UHFFFAOYSA-N 365.502 4.612 0 40 FJAB Cc1cccc(Oc2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)c1C 1387808 LEQWXTTZROBKHE-UHFFFAOYSA-N 367.470 4.870 0 40 FJAB CCc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCO)cc1 1409786 XZECBRNFXAAZAZ-VZCXRCSSSA-N 358.894 4.657 0 40 FJAB c1ccc(N/N=c2\cc(-c3ccc4c(c3)OCCO4)oc3ccccc23)cc1 2155049 QZLHYCOLMYADHU-NCELDCMTSA-N 370.408 4.799 0 40 FJAB biogenic COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)cc2)cc1 2253944 WKTUDQCZUHDQRB-UHFFFAOYSA-N 370.387 4.783 0 40 FJAB CCc1ccc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2c1 2395221 OMCYJKAHSNCTEV-UHFFFAOYSA-N 361.485 4.810 0 40 FJAB biogenic C[C@@H]1CN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C[C@@H](C)O1 2407427 AKXANHXHAUVJHK-HUUCEWRRSA-N 359.429 4.657 0 40 FJAB Cn1c(SCCCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 2618633 AXXLALHBICXBPR-UHFFFAOYSA-N 371.893 4.891 0 40 FJAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 2742603 FOHUVHYSQUDBIA-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB COc1cccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c1 2961481 FHUQJHXYDFDWJO-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB O=C(Nc1ccc(I)cc1)Nc1cccc(Cl)c1 3158935 HZYIKTZFYQRAKZ-UHFFFAOYSA-N 372.593 4.589 0 40 FJAB O=[P@@]1(N2CCOCC2)C=C(c2ccccc2)c2cc(Cl)ccc2O1 3180897 CQNMFUIQWLDRSB-DEOSSOPVSA-N 361.765 4.647 0 40 FJAB CCN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3280433 GYNKNDFZSWFLJC-OAHLLOKOSA-N 356.775 4.648 0 40 FJAB O=C(OCc1nc2ccccc2s1)C1(c2ccccc2F)CCCC1 3301097 KAPCTYXWDBKXPN-UHFFFAOYSA-N 355.434 4.991 0 40 FJAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2c1 3911624 FVADIKKMCDDBML-UHFFFAOYSA-N 357.413 4.825 0 40 FJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)Cc2ccc(F)cc2)[C@H]3CCC1 4708363 WMFJTQGAOGRTCA-NRFANRHFSA-N 362.448 4.551 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cccs1 5136271 PNPOYQDFLMMQPY-UHFFFAOYSA-N 368.483 4.655 0 40 FJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 5954109 MCACUGRPWUSBFY-VIFPVBQESA-N 356.702 4.600 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6288809 UNOOCSYEJZCWLV-UHFFFAOYSA-N 357.759 4.939 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 6419554 CAYDSPPWOWSQCY-UHFFFAOYSA-N 374.897 4.640 0 40 FJAB CSc1ncccc1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 7723624 BCUVMWYZNZFTMZ-UHFFFAOYSA-N 355.488 4.796 0 40 FJAB COc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 8296896 AJUKUBNTBNBDAC-UHFFFAOYSA-N 350.443 4.613 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 8559169 CECVWKOLKKXIHF-UHFFFAOYSA-N 355.438 4.563 0 40 FJAB CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)cc1 12080451 SATNDFOLSLJURR-GGAORHGYSA-N 355.441 4.886 0 40 FJAB O=C(Nc1nc(SCc2ccccc2)ns1)c1cccc(Cl)c1 12770706 FGHUJLGLWRZDDT-UHFFFAOYSA-N 361.879 4.736 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1 12774154 YBHCVNIMIOPRGP-UHFFFAOYSA-N 373.412 4.768 0 40 FJAB Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)o2)c1 13114630 MVIJYYVYRSXTKA-OWCLPIDISA-N 373.522 4.624 0 40 FJAB Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)oc2c(C)cccc12 19236740 XYRDNYPHCKATML-UHFFFAOYSA-N 363.457 4.871 0 40 FJAB Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cnn(C)c3C)c(-c3ccccc3)c2c1 19716826 LBCYXHUZPQHKCJ-OAHLLOKOSA-N 372.472 4.676 0 40 FJAB CCCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 19943249 OFFMUKRDBFEQCS-GASCZTMLSA-N 373.946 4.576 0 40 FJAB CCCCCN(CCCCC)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 20081522 OJQWSCCGISNPFM-HXUWFJFHSA-N 358.526 4.563 0 40 FJAB OC1=Nc2n[nH]cc2[C@H](c2cccc(OCc3ccc(F)cc3)c2)SC1 20733373 IWMSUHZGTUEAAL-SFHVURJKSA-N 369.421 4.552 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312205 FXKKTEAVUXZYNZ-INIZCTEOSA-N 353.340 4.510 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C)C(C)C 22475232 AFCLMMVYZQYMLB-JTQLQIEISA-N 356.413 4.912 0 40 FJAB Clc1ccc([C@@H](c2ccccc2)N2CCN(c3ccccn3)CC2)cc1 23486796 QMVDYCYXQNDXFB-JOCHJYFZSA-N 363.892 4.647 0 40 FJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3F)o2)cc1 28236743 VFYQPEAYTNMRBB-UHFFFAOYSA-N 371.339 4.592 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1C 28237666 ZJWXKWUXJPKYNM-LLVKDONJSA-N 359.779 4.680 0 40 FJAB Cc1cccc(NC(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 28305170 GKWWKHHBOZRMKW-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB Cc1ccc(F)c(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 28492893 NARNTIDQULALJV-UHFFFAOYSA-N 354.381 4.570 0 40 FJAB CN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CCc2ccccc21 29489477 XYORXVBUWPVYDL-KRWDZBQOSA-N 373.378 4.875 0 40 FJAB CCOc1ccccc1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 36626640 YWYLKQCMTSNFED-LJQANCHMSA-N 369.511 4.996 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(Cl)cc1 38754288 SMXOVZFQSWYRPT-IBGZPJMESA-N 359.897 4.863 0 40 FJAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)OCc1ccccc1F 58745175 WJLPWIQPGRYVEI-JLHYYAGUSA-N 363.388 4.556 0 40 FJAB Cc1cc(C(=O)CSc2ccc(O)cc2)c(C)n1Cc1ccc(F)cc1 65493330 CTLSZWVUAMWAFS-UHFFFAOYSA-N 369.461 4.973 0 40 FJAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72214256 HEIGJCINCVMVFZ-SFHVURJKSA-N 353.466 4.922 0 40 FJAB CC(C)n1c([C@H]2CCCN2C(=O)c2cccc(F)c2F)nc2ccccc21 72306561 FKLRYVFIBWTMCJ-GOSISDBHSA-N 369.415 4.873 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1ccco1)C1CCOCC1 96025036 BFSIMKZDDIKYQO-UHFFFAOYSA-N 368.355 4.512 0 40 FJAB COc1ccc(CN2CCC3(CC2)C[C@@H](OC)c2cc(C)ccc23)cc1 96100196 UFNPBAABHDNWKN-JOCHJYFZSA-N 351.490 4.629 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(Cl)cc1 100032077 SLRHJGKZUMEMDQ-BEFAXECRSA-N 374.893 4.673 0 40 FJAB CO[C@@H](CNC(=O)Cc1cccc2ccccc12)c1ccccc1Cl 206850761 RIXPPYXMJSWOFL-FQEVSTJZSA-N 353.849 4.540 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c(C)c1 222995659 PNYVVDUNTVRXRV-HXUWFJFHSA-N 369.461 4.585 0 40 FJAB O=C(CCSc1ccccc1)NCCOc1cccc2ccccc12 223509689 JHEBQVKPXOFZDF-UHFFFAOYSA-N 351.471 4.517 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccccc1 224806413 CIWCZFDCENIYQD-NRFANRHFSA-N 369.530 4.631 0 40 FJAB COc1ccccc1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224976862 IATOJYUUQMQZSI-UHFFFAOYSA-N 359.469 4.654 0 40 FJAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(Oc2nccs2)cc1 225647841 XZUCTFYNTVWFFG-UHFFFAOYSA-N 373.865 4.588 0 40 FJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(OC)cc1 408626951 JPYJZRBTLQJVAO-GOFCXVBSSA-N 368.502 4.735 0 40 FJAB Cc1cc(NC(=O)c2ccc(N3CCCC3)cc2)ccc1Br 408678332 XFWLFBARLUQQJH-UHFFFAOYSA-N 359.267 4.610 0 40 FJAB O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1cccs1 409340209 SFHAUYIXWYEMLH-UHFFFAOYSA-N 361.513 4.841 0 40 FJAB Cc1ccc2c(-c3ccccc3)c(-c3nnnn3-c3ccccc3)cnc2c1 721390 RVAHEKVRBVZHJG-UHFFFAOYSA-N 363.424 4.853 0 40 FJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3C)ccc21 2061841 UFMQGXTXNZPGHA-UHFFFAOYSA-N 364.470 4.924 0 40 FJAB CCOc1ccccc1C(=O)Nc1nn(CC)c2nc3cc(C)ccc3cc12 2401312 DWZHDCYPZOJFPL-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB CCCc1nc2sc3c(N4CCC(C)CC4)ncnc3c2c2c1CCC2 2448797 RQNCWRBUSLRBNM-UHFFFAOYSA-N 366.534 4.917 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccco2)sc(C)c1-c1ccc(F)cc1 2886861 HRBUZPWBSODJQL-UHFFFAOYSA-N 373.405 4.885 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2c(F)cccc2Cl)cc1 3300030 WONRACUJAJCZLL-GFCCVEGCSA-N 363.816 4.788 0 40 FJAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1 4122423 ACQFIOBLPYQSQF-OUKQBFOZSA-N 354.409 4.570 0 40 FJAB Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ccc(Cl)cn2)cc1 4550798 SVVPPTZHSUUMPL-UHFFFAOYSA-N 364.832 4.839 0 40 FJAB COc1ccc(NC(=O)NC(C)(C)COC23CC4CC(CC(C4)C2)C3)cc1 4625759 JXHKFOSZTKOGCI-UHFFFAOYSA-N 372.509 4.581 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 4659273 OQYIQUBPCAGALK-INIZCTEOSA-N 353.462 4.804 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)o2)cc1 4925799 KHCVQWWHLOLDST-AWEZNQCLSA-N 367.474 4.727 0 40 FJAB O=C(Nc1cccc2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 5332271 DAFRUVZASFHTJO-UHFFFAOYSA-N 365.864 4.847 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCCOc1cccc2ccccc12 5705037 OZQJIVFGXNHLTH-OUKQBFOZSA-N 351.833 4.702 0 40 FJAB Cc1c(Cl)cccc1NC(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)O 5921541 HGOPOJGRIIDOBX-ZDUSSCGKSA-N 366.244 4.574 0 40 FJAB CCOc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 6538752 XGUYBHOHTUGICN-UHFFFAOYSA-N 361.441 4.694 0 40 FJAB CC(=O)Nc1ccc(N[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 7221576 HSEWXOJYSLHFSC-QFIPXVFZSA-N 373.456 4.745 0 40 FJAB CC(C)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)s1 7231891 XEQACVYSIICJNL-JTQLQIEISA-N 371.528 4.545 0 40 FJAB Cc1nc(Nc2ccc(C(N)=O)cc2)c2c(-c3ccccc3)csc2n1 7271623 OFHCAKOYOLSURB-UHFFFAOYSA-N 360.442 4.509 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(N2CCCC2=O)c1 7919920 BVNJFORETLZAEX-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB CC(C)c1cccc(NC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c1 8328109 GMUFJJLWYQJVBQ-LJQANCHMSA-N 353.466 4.595 0 40 FJAB CCOC(=O)Cc1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 8782993 XFQRGRHVEPFIME-UHFFFAOYSA-N 361.441 4.630 0 40 FJAB COc1ccccc1-c1nc(COc2ccc3ccc(=O)oc3c2)cs1 8942193 CTGJIJXLXUGSKC-UHFFFAOYSA-N 365.410 4.504 0 40 FJAB CSc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C 9041081 NALPNGKTVBPWER-UHFFFAOYSA-N 361.474 4.898 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c(C)c1 9064458 DYDPAHDCQGCDGV-GOSISDBHSA-N 352.478 4.700 0 40 FJAB O=C(CCc1cccs1)Nc1ccc(N2CCCCC2)c2ccncc12 9613672 FEZGVANUUMWIFS-UHFFFAOYSA-N 365.502 4.858 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 12237280 QCGHNCAMNSGRNN-UHFFFAOYSA-N 367.449 4.584 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccccc1SCc1cc(C)on1 12567683 LJBPQEYHXLSOTR-UHFFFAOYSA-N 368.458 4.845 0 40 FJAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)o1 12621052 NLFCYVHIRQRNBG-PGBBXINNSA-N 372.490 4.904 0 40 FJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2c(s1)CCC2 12688847 UKTNPOYVOIQTME-UHFFFAOYSA-N 373.528 4.633 0 40 FJAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc(Cl)c3)=NN12 13593671 RUVPERIQUYACBW-MJGOQNOKSA-N 358.894 4.963 0 40 FJAB CCc1ccc(C(=O)CSc2nc(/C=C/c3cccs3)n[nH]2)s1 14334911 VFPRYHKZFNXEBO-SOFGYWHQSA-N 361.517 4.636 0 40 FJAB COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1Cl 16945785 LLSKBJFTOLREPU-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312198 FXKKTEAVUXZYNZ-MRXNPFEDSA-N 353.340 4.510 0 40 FJAB C/C=C/c1ccc(OCc2coc(-c3ccc(OC)cc3)n2)c(OC)c1 22842031 AVCCREMKZPBAJH-SNAWJCMRSA-N 351.402 4.971 0 40 FJAB O=C(Nc1cccc(OC2CCCC2)c1)c1cccc(Nc2ncccn2)c1 25084104 DJFNPIHIBZDOKU-UHFFFAOYSA-N 374.444 4.794 0 40 FJAB CCC(CC)N(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)C1CC1 32925594 WURWYFKXABCBEE-UHFFFAOYSA-N 370.493 4.593 0 40 FJAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3F)s2)on1 40154744 XUSRMHVJGJEOER-HNNXBMFYSA-N 356.422 4.828 0 40 FJAB CC(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 44836739 LYQVVKXAYYMCRT-UHFFFAOYSA-N 352.261 4.812 0 40 FJAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)c1 44934889 FIHKZQWITWLVCN-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1cccc(C)c1 44948554 HUBVYKPWZKACFB-IBGZPJMESA-N 357.519 4.510 0 40 FJAB CC(C)(C)[C@@H](NCc1csc(-c2ncccn2)n1)c1ccc(F)cc1 53643700 RRTUTIXPJRUFQR-INIZCTEOSA-N 356.470 4.616 0 40 FJAB Cc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1C 71978349 UJLNNSVVBWQUED-UHFFFAOYSA-N 354.251 4.772 0 40 FJAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)cc12 84067883 DVBYVKBRIKQHDQ-LJQANCHMSA-N 363.461 4.806 0 40 FJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccco1 84432149 YVYLUAMOYLNNLP-ZWKOTPCHSA-N 353.368 4.567 0 40 FJAB O=C(Nc1ccccc1Br)c1cccc(Oc2ccccn2)c1 96122657 DHVLNQXJGDWQCW-UHFFFAOYSA-N 369.218 4.889 0 40 FJAB CCc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 223377923 IBXPQIXGXDFGQZ-UXBLZVDNSA-N 364.272 4.764 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COC(C)C 224722182 JDQCGVDCLKMTHG-GOSISDBHSA-N 369.505 4.761 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)NCCC3=CCCCC3)o2)cc1 224855407 QOELGHRVMOVCOA-UHFFFAOYSA-N 368.477 4.680 0 40 FJAB CCCC[C@@H](CC)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225119093 MUUXQYBHOIOVHG-MRXNPFEDSA-N 355.544 4.622 0 40 FJAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1 225368149 QHLLKIVCWKUFOB-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225642883 QVGQYHNWXUYXBA-INIZCTEOSA-N 358.507 4.536 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 408779764 KBJBXGOUEUOYNA-FJJYYWMZSA-N 362.857 4.641 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3CCC[C@H]3C)cccc2c1=O 729661295 GOXYCVQFJVXXJG-AUUYWEPGSA-N 361.441 4.687 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)Nc1ccccc1Cl 1775968913 OZRSTKGZYSBLMT-CYBMUJFWSA-N 362.838 4.517 0 40 FJAB Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)s1 723834 FCRVRCDCEPFFEV-UHFFFAOYSA-N 360.529 4.915 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 724336 KLRPNNYHYOBEIJ-UHFFFAOYSA-N 373.865 4.761 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934644 WSAAIAWAAWWEET-CYBMUJFWSA-N 362.267 4.726 0 40 FJAB CNc1ccc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 1705192 IRUSTBAOCPUTOP-UHFFFAOYSA-N 357.498 4.546 0 40 FJAB CC(C)N(C(=O)CSc1ccc(Br)cc1)c1ccccc1 3233894 FIBHDEUELAGVRO-UHFFFAOYSA-N 364.308 4.983 0 40 FJAB COC(=O)c1ccc(Nc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 3255092 RXIUNUUXJMCQAC-NSHDSACASA-N 367.474 4.655 0 40 FJAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3cc(Cl)ccc3o2)[C@@H]1C 4984954 CHXBWOKJPGFPLE-WZRBSPASSA-N 352.887 4.514 0 40 FJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 5091932 LOIOCQKUCGPGNZ-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)C1CCCCC1 5136292 QOPPPRPQUSTXOI-UHFFFAOYSA-N 368.502 4.860 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)c3ccccc3n2)cc1 5394477 GMQNRUWFSNXSMJ-UHFFFAOYSA-N 369.424 4.866 0 40 FJAB COc1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1=O 5441532 INPWRPLDVRTVIF-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB COc1cc([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O 6031734 YPQNDHHCUQGPFN-QVEMZERUSA-N 358.434 4.503 0 40 FJAB biogenic,in-vitro Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2cccs2)cc1 6679080 FUGOKBUSXOKKAF-CXAGYDPISA-N 369.515 4.714 0 40 FJAB O=C(c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6786449 QUNOPOSKEQNIIR-HNNXBMFYSA-N 372.877 4.776 0 40 FJAB Cc1cc(C)cc(-n2ccnc(SCc3ccc(F)cc3Cl)c2=O)c1 6915448 ZVZHUWJSZWFYLV-UHFFFAOYSA-N 374.868 4.934 0 40 FJAB Cc1nc(-c2cccc(NC(=S)NCCc3ccccc3)c2)cs1 7101721 MQAIUSFLWHTSFV-UHFFFAOYSA-N 353.516 4.648 0 40 FJAB CCOc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 7367971 FCBWECZZZFWIHU-UHFFFAOYSA-N 366.939 4.817 0 40 FJAB Cc1cc(C)nc(SCc2ccccc2C(=O)NC2CCCCCC2)n1 8327802 KXTJTQNBAAKMLO-UHFFFAOYSA-N 369.534 4.838 0 40 FJAB CCCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)cc1 9107161 IJKYHZLWOMEKFS-UHFFFAOYSA-N 350.462 4.581 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c(C)c1 12268854 ADWNIYOMRROBGH-OAQYLSRUSA-N 351.471 4.650 0 40 FJAB CC(C)c1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 12292953 YSGGLUPMBSGGEH-UHFFFAOYSA-N 359.476 4.799 0 40 FJAB c1ccc(OCc2nc3ccccc3n2Cc2cc(-c3ccco3)on2)cc1 15551543 QFSXQBIUXIASAD-UHFFFAOYSA-N 371.396 4.912 0 40 FJAB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OC(C)C 16411801 XWDUXRLLCZOSNV-WOJGMQOQSA-N 364.445 4.645 0 40 FJAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)n1 19817197 CIGNVDXALIZOGS-IBGZPJMESA-N 374.488 4.624 0 40 FJAB Fc1ccccc1Cc1nnc2sc(-c3cccc4ccccc34)nn12 19910055 QTEXDMIYPONAMR-UHFFFAOYSA-N 360.417 4.736 0 40 FJAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20612934 AXJDMSZRBUSYFE-UHFFFAOYSA-N 370.518 4.968 0 40 FJAB COc1cc(NC(=O)CCc2ccccc2Cl)c(OC)cc1Cl 22375003 PHIDDTQSMXMUFK-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB Cc1ccc(-c2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)o1 32367797 SSEGCZADHAHSFK-UHFFFAOYSA-N 352.459 4.731 0 40 FJAB C[C@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2OC(=O)c2ccccc2)N1C 33688664 WESAJBQBYCQVNO-JJEOQYAHSA-N 373.452 4.996 0 40 FJAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 36446882 SJXCNUPMHXAXBS-FQEVSTJZSA-N 368.527 4.704 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616011 PCBDVSMWSARMTD-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C#N)O1 38549763 JQXOTYALWMLXAU-UQVAWVEYSA-N 369.505 4.542 0 40 FJAB biogenic COc1ccc(OCCCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 38773194 JLTANHKSUBSODB-NRFANRHFSA-N 355.478 4.758 0 40 FJAB Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1Cl 41096867 ZQKKGBMJASDEAD-UHFFFAOYSA-N 368.241 4.618 0 40 FJAB CC1CCN(C(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 44904132 BQZLPXBFDXQCPA-UHFFFAOYSA-N 355.503 4.730 0 40 FJAB CCOc1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44911309 SQXVWPKYIFOGCT-UHFFFAOYSA-N 352.478 4.714 0 40 FJAB Cc1csc(N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)n1 58061887 PZBNSZKWSHAEOW-LJQANCHMSA-N 371.550 4.572 0 40 FJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(OC)cc1 71844327 ZVGMHJSNELGZBH-VXKWHMMOSA-N 351.490 4.813 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CCSCC1 85651700 WKGNLHUYZKPFNL-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB CSc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1 102739597 CCXBKFCFTTYOCF-OAHLLOKOSA-N 356.451 4.663 0 40 FJAB Fc1ccc(-c2cnc(Nc3cc(C4CCNCC4)ccn3)s2)cc1F 143383869 XBFBZDWOTVOTJM-UHFFFAOYSA-N 372.444 4.694 0 40 FJAB CCOCC(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1 206892310 HKJDRGVDTIMZLS-UHFFFAOYSA-N 371.437 4.668 0 40 FJAB CCCOc1ccccc1CCCNC(=O)CCSCc1ccccc1 218997754 GRYYXENERBGLRC-UHFFFAOYSA-N 371.546 4.848 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 222852766 NIVBDENCSBYRSZ-KSSFIOAISA-N 373.880 4.834 0 40 FJAB C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223153014 OYCMRDQDTCXKBW-AWEZNQCLSA-N 359.922 4.939 0 40 FJAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COC(C)C 224426186 JBPDEGUDRODAHF-UHFFFAOYSA-N 367.367 4.891 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1cccc(C)c1 224455594 CVQCVYNPNLDTQO-NRFANRHFSA-N 363.457 4.501 0 40 FJAB CC1(C)COc2ccc(C(O)(c3ccccc3)c3ccccc3)cc2OC1 225357349 KPBCSGICPXXOJS-UHFFFAOYSA-N 360.453 4.768 0 40 FJAB O=C(Cc1ccccc1F)NCCSCc1ccc(Cl)cc1Cl 225444933 KYAGOZORIBSIMQ-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB COc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cn1 225875109 IEUFOIVCUQKRLP-UHFFFAOYSA-N 369.534 4.631 0 40 FJAB COC(=O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 226366785 COKDKQBQWOPIGJ-UHFFFAOYSA-N 362.212 4.732 0 40 FJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c(=O)c2cc(C)ccc21 408713144 LPUCNIHQZCYWBG-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB Cc1cccc(Cc2cnc(NC(=O)COc3ccccc3Cl)s2)c1 848358 KIBYTEMILAPBMD-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccco1 1369150 DNZRJKXKGAXZLF-QZTJIDSGSA-N 373.884 4.640 0 40 FJAB CCCCOc1nc(CC)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2258597 WHERWGCDIZLARM-UHFFFAOYSA-N 371.506 4.832 0 40 FJAB CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCc1ccccc1-2 2329968 JKHBYSPNTGRQHG-UHFFFAOYSA-N 357.475 4.819 0 40 FJAB CCCCn1nc(NC(=O)c2ccccc2)c2cc3cccc(C)c3nc21 2407770 UZOLEYDSCINSMD-UHFFFAOYSA-N 358.445 4.945 0 40 FJAB Cc1ccc(C(=O)c2ccc(OCCOc3ccc(F)cc3)cc2)cc1 3173806 UPCFPDNFUBQHPB-UHFFFAOYSA-N 350.389 4.823 0 40 FJAB CCCCOc1ccc(C(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1 3339317 CBWGKOBJUSYCRB-UHFFFAOYSA-N 354.446 4.830 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc2c(c1)CCC2 3344357 UIAYJYBHVGVOKG-UHFFFAOYSA-N 351.837 4.575 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 3345035 BSSGDZONEDRASD-CQSZACIVSA-N 361.869 4.846 0 40 FJAB aggregator COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1 4032978 DAESCJZCPFEYKM-UHFFFAOYSA-N 363.442 4.632 0 40 FJAB CCOc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1OC 4168520 LPWLTHXGJNAWIU-DHZHZOJOSA-N 363.413 4.738 0 40 FJAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1OC 4571583 NPBWLZPJEYJCIJ-BBATYDOGSA-N 372.490 4.709 0 40 FJAB COc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OC 4682224 DGCYHWGUXLBEQJ-UHFFFAOYSA-N 356.647 4.732 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(C(C)=O)c1 4849253 JHWXIEBRYCRRMP-UHFFFAOYSA-N 364.470 4.731 0 40 FJAB CCOc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 5131004 YDYNTZJOAJVLNK-GXDHUFHOSA-N 369.442 4.719 0 40 FJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5254865 WGYUNJBUDLXZGQ-PMVMPFDFSA-N 369.480 4.703 0 40 FJAB O=C(C1CCCCC1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264948 MTMBSKJRXMPGLC-UHFFFAOYSA-N 369.465 4.944 0 40 FJAB O=C(CSc1c(Cl)cccc1Cl)N1CCC(c2ccccc2)=N1 6000540 GAYIFKYSOCCOLT-UHFFFAOYSA-N 365.285 4.722 0 40 FJAB COc1ccccc1OCCn1cc(C(=O)C(C)(C)C)c2ccccc21 6022797 AFJIZRILNVWRMU-UHFFFAOYSA-N 351.446 4.958 0 40 FJAB CC1CCN(c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)CC1 6348814 NQMQMYZUUGWMKK-UHFFFAOYSA-N 352.478 4.962 0 40 FJAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 7370037 RXZLDFGLKAXXGV-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1C 8428920 GPAZBUREGUEKQX-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB COc1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8700910 UFRQGZAOHIQFKU-NYHFZMIOSA-N 354.494 4.658 0 40 FJAB COc1cc(OC)c(NC(=O)CNc2cccc3ccccc23)cc1Cl 11122545 GDCOYITWDWRIRN-UHFFFAOYSA-N 370.836 4.561 0 40 FJAB Cc1c(C(=O)Nc2ccccc2F)cnn1-c1cccc(C(F)(F)F)c1 12999018 NCSAGZIDVJUIKL-UHFFFAOYSA-N 363.314 4.591 0 40 FJAB Oc1cc(CSc2nc3ccccc3s2)nn1-c1ccc(F)cc1 14162650 FWWGCJFMJJBLRM-UHFFFAOYSA-N 357.435 4.619 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccncc2)cc1 15565568 ANOMRXYQWJRUEB-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB Cc1c(C(=O)NCc2cccs2)sc2nc(-c3ccc(F)cc3)cn12 16992451 YJBCCIKYLXFPQB-UHFFFAOYSA-N 371.462 4.502 0 40 FJAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 17073658 KRLVUFFVUKXKJR-AWEZNQCLSA-N 356.491 4.649 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 20493780 HGISONGIEJUGMS-YWZLYKJASA-N 359.441 4.505 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2c(C)ccc3nsnc23)cc1 21595331 IPTIQEDPPHQREK-GFCCVEGCSA-N 355.463 4.531 0 40 FJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1 23507589 BEORRRDCRWUPAQ-CQSZACIVSA-N 370.399 4.772 0 40 FJAB Cc1nc(Sc2nc3ccccc3[nH]2)c2c3c(sc2n1)CCCC3 28464362 RSUOKOACHPAFCU-UHFFFAOYSA-N 352.488 4.906 0 40 FJAB C[C@@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccccc1F 32794964 AMEXBSPDRFRRLG-GFCCVEGCSA-N 370.346 4.627 0 40 FJAB C[C@@H](NCC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 49580909 OMIGOPTULKAUBH-HXUWFJFHSA-N 372.512 4.676 0 40 FJAB COc1ccccc1OCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 58023728 YXJCVXXIYCFTAB-UHFFFAOYSA-N 363.413 4.529 0 40 FJAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cs2)o1 65515150 DTCWNWWZGKJSIZ-FZMZJTMJSA-N 356.447 4.700 0 40 FJAB O=C(Cn1ccc2ccc(Br)cc21)Nc1cccc2[nH]ccc12 70666402 LOUICGCZSKAQOC-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic Clc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377601 XOKPIUQNKKGASG-GOSISDBHSA-N 365.868 4.606 0 40 FJAB Cc1cccc2sc(-c3ccc(I)cc3)nc12 73638894 XANWSEHVUVFOGR-UHFFFAOYSA-N 351.212 4.876 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3)c3ccccc3C2=O)cc1C 103005260 KYOKGDJVYNPRFE-PXLXIMEGSA-N 368.436 4.943 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(C)c1C 219309511 JWPJXJGEQFZHGF-IBGZPJMESA-N 369.505 4.609 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl 219603632 DLINMAVGXJDIGP-SFHVURJKSA-N 366.288 4.900 0 40 FJAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 223407506 SCBROPTYLMHKIA-MRXNPFEDSA-N 353.462 4.759 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223444073 MNTFSHKMNHCDDQ-LAUBAEHRSA-N 355.478 4.655 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1 223748178 FUGCKORNXIKZMA-KRWDZBQOSA-N 357.519 4.794 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Cl)cc1 224452672 MAFGZFLEUOHLFH-DLBZAZTESA-N 355.850 4.505 0 40 FJAB COc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1Cl 225122996 YXEOXOBVWYKVPW-SFHVURJKSA-N 362.853 4.721 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccccc3)ccc21 225131500 OXXPZBAFXFCILO-UHFFFAOYSA-N 372.515 4.516 0 40 FJAB Fc1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225296236 DBNVLXURPDEVMY-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1Cl 225570396 JQLWJWNGOGKDAL-UHFFFAOYSA-N 373.880 4.734 0 40 FJAB COc1cc(C)c(C(=O)N[C@@H](C)COc2ccccc2C)cc1C(C)C 225666706 FLJOMMDBHGNCLW-KRWDZBQOSA-N 355.478 4.633 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1 408875905 MIALPQQVKDDNDR-CQSZACIVSA-N 365.951 4.870 0 40 FJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1nc2ccccc2s1 585146716 GVLBXQMZXXFJBY-GFCCVEGCSA-N 354.456 4.513 0 40 FJAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 618256478 RXKGEKUCBKLGAB-CQSZACIVSA-N 358.488 4.640 0 40 FJAB Cc1ccc(N2C(=O)c3cc4cccc(Br)c4cc3C2=O)cc1 727139 INLATFIQBAKXLI-UHFFFAOYSA-N 366.214 4.711 0 40 FJAB CCOc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1241608 SQEPOLVRAQCAHJ-UHFFFAOYSA-N 357.479 4.613 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(Cl)cc1)CO2 2398665 NKFLEEBKONZWCF-UHFFFAOYSA-N 367.832 4.600 0 40 FJAB CCc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 2622433 KCSZTVAXGRECRR-UHFFFAOYSA-N 363.486 4.682 0 40 FJAB COC(=O)c1cccc(Oc2nnc(-c3ccccc3)c3ccccc23)c1 3220215 BEPOEJMFMNRBDQ-UHFFFAOYSA-N 356.381 4.876 0 40 FJAB Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2ccccc2C(C)C)c1 3262151 BEJYVSNGVWXJRC-UHFFFAOYSA-N 371.502 4.701 0 40 FJAB COc1ccc(OCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 3439557 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O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1Cc1ccccc1 12548985 UQTPHEJYDJCDLP-UHFFFAOYSA-N 373.481 4.885 0 40 FJAB CCOc1ccccc1NC(=O)CSc1nc(C)c(C)n1C1CCCC1 12629161 DOXYOFYKRHRHRS-UHFFFAOYSA-N 373.522 4.745 0 40 FJAB Cc1sc(N[C@H](C)c2ccccc2)nc1-c1ccc2c(c1)NC(=O)CO2 12775673 HPODFAPDVXOVTG-GFCCVEGCSA-N 365.458 4.623 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccccc3C)s2)cc1 13000550 GBCYVNRCWBBALQ-UHFFFAOYSA-N 366.486 4.577 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(C)cc2Br)cc1 13789925 FVZQQXSNRDAGCV-UHFFFAOYSA-N 351.269 4.575 0 40 FJAB COc1ccc(CN(Cc2ccncc2)Cc2cccc(C)c2)cc1OC 13989905 NRVPCSYYHOACAQ-UHFFFAOYSA-N 362.473 4.610 0 40 FJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3nccs3)cc2)cc1 14112092 BTWNEJYPMPCPGX-LFYBBSHMSA-N 350.443 4.861 0 40 FJAB Cc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1 14190554 LNZRAQFEFRKELO-UHFFFAOYSA-N 353.491 4.567 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 14291981 QLCNIVUNGXVPBA-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB Cc1ncsc1-c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 19563205 ZNCPBWMMTOVSKJ-UHFFFAOYSA-N 374.897 4.535 0 40 FJAB O=C(Cc1cccc2ccccc12)N1CCCC[C@@H]1CCN1CCCCC1 21170490 RCUHRLGFHXOUHH-JOCHJYFZSA-N 364.533 4.639 0 40 FJAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 22510196 YGSHVDKSYXDZOI-NRFANRHFSA-N 363.457 4.712 0 40 FJAB Cc1c(Cl)c(CN2CCN(Cc3cccs3)CC2)nc2ccccc12 23248533 CKMURAMIWIHZGI-UHFFFAOYSA-N 371.937 4.576 0 40 FJAB Cc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c(C)c1 24830515 CCFPMPWNSBZUJQ-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCC[C@H]1c1ccncc1 29809577 DJCHXOPPBHVFCS-DUIUGDAFSA-N 363.848 4.660 0 40 FJAB CC(C)c1ccc([C@H](C)NC(=O)Cc2csc(-c3ccco3)n2)cc1 31250570 CYPRFHNCSOMKCT-AWEZNQCLSA-N 354.475 4.946 0 40 FJAB OC1=Nc2c(ncn2-c2ccccc2Br)[C@@H](c2ccsc2)C1 36357998 LOIHMYNVHOGYJH-LLVKDONJSA-N 374.263 4.820 0 40 FJAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)c(OC)cc1C 40103458 TVXZUQGYKBGZQJ-UHFFFAOYSA-N 368.886 4.781 0 40 FJAB COc1ccccc1OCc1nc2ccccc2n1Cc1cccc(C)c1 40233178 VIBGTUYMJBPVLV-UHFFFAOYSA-N 358.441 4.981 0 40 FJAB O=C(Nc1ccc(Br)nc1Cl)C12CC3CC(CC(C3)C1)C2 40816707 ZKEYLCVAXWMKDH-UHFFFAOYSA-N 369.690 4.652 0 40 FJAB C[C@H]1CCCCN1CCCCNC(=O)c1cc(F)c(Cl)cc1Cl 46989499 HBMMXPJWATVBDM-LBPRGKRZSA-N 361.288 4.517 0 40 FJAB CCn1c(-c2ccccc2)nn(CN2CCc3sccc3[C@H]2C)c1=S 52583951 RYANJROUMNGGPB-CQSZACIVSA-N 370.547 4.739 0 40 FJAB COc1cc2ccccc2c(Br)c1C(=O)NC1CCCCC1 59843567 ZAVGZZQDGYOEBI-UHFFFAOYSA-N 362.267 4.673 0 40 FJAB CCN(C(=O)Nc1cccnc1Cl)[C@@H](Cc1ccc(C)cc1)C1CC1 72304767 AEVOGMYNWPJGQZ-SFHVURJKSA-N 357.885 4.919 0 40 FJAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccco1)N1CCCCC1 72328479 SNRXZQAOWUKRCD-UHFFFAOYSA-N 369.852 4.719 0 40 FJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1 72328978 WUKOBTCLCXCDNI-UHFFFAOYSA-N 367.493 4.876 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)Cc1cn(C(C)C)c2ccccc12 72404091 UNXMMZWZUYRUAZ-UHFFFAOYSA-N 352.482 4.798 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCOc2ccc(F)cc21 89949346 FVQKAPXXFIHSGD-DLBZAZTESA-N 374.481 4.820 0 40 FJAB O=C1CCc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2N1 95348659 QPPCCDHIYVROAB-UHFFFAOYSA-N 357.818 4.659 0 40 FJAB Cc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c(C)n1C(C)C 95348780 OTWMXRKEEZPRCR-UHFFFAOYSA-N 361.392 4.788 0 40 FJAB CC(C)CSc1nnc(NC(=O)CCc2ccccc2Cl)s1 222858898 HZTMGRXBWVKSHQ-UHFFFAOYSA-N 355.916 4.511 0 40 FJAB Cc1cccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1C 223900728 CMAZFENJDKQTHC-LTGZKZEYSA-N 361.441 4.632 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224877398 WTOROLRBSIYCOZ-UHFFFAOYSA-N 353.340 4.528 0 40 FJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 225429621 IHQKJUISLMRJEO-UHFFFAOYSA-N 358.441 4.862 0 40 FJAB COc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1OC 225492499 SFXZBYNXDWCQRX-KRWDZBQOSA-N 358.507 4.778 0 40 FJAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c2cccnc12 225901126 GJNLTTQIWNYSJM-YCRPNKLZSA-N 356.466 4.557 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 408621963 NULDSQYOYXDPJG-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)oc2c1 408628957 YPUUNHUVYOWKRJ-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB CN(CC(=O)Nc1ccc2c(c1)oc1ccccc12)C(=O)Oc1ccccc1 408997753 HOVCBIRMHQBSSF-UHFFFAOYSA-N 374.396 4.655 0 40 FJAB COCC1CCC2(CC1)Nc1ccccc1C(=O)N2c1cccc(C)c1 639404177 KWFNHZYMXSFREO-UHFFFAOYSA-N 350.462 4.600 0 40 FJAB CCC[C@H](Nc1cnn(CCO)c1)c1ccc(Oc2ccccc2)cc1 679083554 OVYBQFKHJGBKPC-NRFANRHFSA-N 351.450 4.621 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1058884 OCVZUJDOHLMJJV-UHFFFAOYSA-N 364.426 4.604 0 40 FJAB O=C1c2cc(Br)ccc2-c2c(F)cc(Br)cc21 1674716 HKFCEQMYJCDVIL-UHFFFAOYSA-N 355.988 4.562 0 40 FJAB C[C@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)nc(N)c3c21 2209034 XGXBJFJTJBQWHQ-NSHDSACASA-N 369.515 4.688 0 40 FJAB CCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1 4215843 SNNLEHVMRDCTNG-UHFFFAOYSA-N 365.473 4.947 0 40 FJAB in-man COc1cc(OC)cc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)c1 4330917 YORTYFYCOUFATE-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C 4631900 ZDIKPSMFXAIDPD-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc(Br)cc1 5674384 YSASMRGORNZWCO-UHFFFAOYSA-N 351.269 4.620 0 40 FJAB Cc1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)cc1 5814587 DXWGMNFSZRAXCS-UHFFFAOYSA-N 359.469 4.589 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 6212382 YKKXOYXKFDSOLZ-UHFFFAOYSA-N 358.441 4.736 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1 6260039 KCQZDWLQPBSPSQ-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3CCCCC3)cc12 6337513 XAFMXSZIVJOIBM-UHFFFAOYSA-N 371.481 4.656 0 40 FJAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1cccc2cccnc12 6649450 QRIWERRLUKEJGY-UHFFFAOYSA-N 362.458 4.622 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 6910475 NWKMFHKJUFJLEF-UHFFFAOYSA-N 364.445 4.957 0 40 FJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 6962308 GYKROQWGSBMGEA-UNMCSNQZSA-N 362.517 4.741 0 40 FJAB Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)c(Br)c1 7383212 WTTBUQFSLQIMJT-UHFFFAOYSA-N 359.267 4.610 0 40 FJAB Cc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 7738236 OGASZXGFGYCYAH-UHFFFAOYSA-N 371.440 4.562 0 40 FJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2C)c(C)c1 8410433 ZRKVAPBJOXLCCM-UHFFFAOYSA-N 352.503 4.794 0 40 FJAB Cc1ccc(-c2noc(CN(C)C(=O)Nc3cccc4ccccc34)n2)cc1 9227080 BZCDIQZKBPFALS-UHFFFAOYSA-N 372.428 4.862 0 40 FJAB Cc1cccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)c1 9251025 JAZHBPBOXBSJCG-ZDUSSCGKSA-N 372.515 4.891 0 40 FJAB O=C(CCCc1cccs1)N1CCC(c2nc3ccccc3o2)CC1 9457262 MDKLDZBFHNJRBK-UHFFFAOYSA-N 354.475 4.618 0 40 FJAB Cc1ccc(F)cc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11160100 SOOOGXPOJXIBFZ-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB O=C(COc1cc(Cl)ccc1Cl)N[C@H](c1ccccc1)C1CC1 11217699 GEHNRHBIVASMPY-GOSISDBHSA-N 350.245 4.640 0 40 FJAB Cc1ccc(Cl)c(OC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 12821032 WJFXQAJDGPIIJL-UHFFFAOYSA-N 370.836 4.612 0 40 FJAB Fc1ccc(-c2ccc(CNCc3ccccc3Cn3cccn3)o2)cc1 12871763 WFGTWFRAHICHSW-UHFFFAOYSA-N 361.420 4.620 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(Cl)c1 12918362 MSMUXRRZZSUFTM-NSHDSACASA-N 362.907 4.945 0 40 FJAB Cc1ccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)o1 13227388 MRDYECRKSSEYME-UHFFFAOYSA-N 354.460 4.842 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 14036314 UMFWMKCSJVHLLT-SFHVURJKSA-N 361.441 4.980 0 40 FJAB Cc1cc(C(=O)CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)s1 16490198 MLURDXYVFHRXLQ-UHFFFAOYSA-N 371.289 4.856 0 40 FJAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c1OC 19240247 HBALXEQLZHSYAY-INIZCTEOSA-N 374.531 4.604 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 20482458 RANKGAZPNXXJJI-UWJYYQICSA-N 355.478 4.675 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)NCCSc1ccc(Cl)cc1 20485356 FVPXZGIZLJEGGE-AWEZNQCLSA-N 363.910 4.578 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 20490591 OLZZUXRPLDJMSG-HSZRJFAPSA-N 365.517 4.942 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20495703 FOGCORYEMRTUKN-HNNXBMFYSA-N 360.885 4.588 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 25870953 PTJNJBHPGOQFTC-UHFFFAOYSA-N 374.440 4.978 0 40 FJAB O=C(NCc1ccc(F)cc1)c1ccc(COc2cccc(Cl)c2)o1 27970200 ZXXONDUBSGFXFX-UHFFFAOYSA-N 359.784 4.581 0 40 FJAB CCn1ncc(Br)c1C(=O)Nc1ccccc1-c1ccccc1 28223758 DQAHQMPOIYWSCO-UHFFFAOYSA-N 370.250 4.585 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccccc2OC)cc1 30853316 WAYGPVZJMIXNJP-IXDOJHRFSA-N 353.462 4.621 0 40 FJAB O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc2ccccc2c1 32508868 XEPBOLOINWQLJG-UHFFFAOYSA-N 373.503 4.540 0 40 FJAB CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3OC)oc12 32751230 PFBDWZKGIHIZJJ-CYBMUJFWSA-N 354.406 4.723 0 40 FJAB O=C(/C=C/c1nc2ccccc2o1)N(Cc1c(F)cccc1Cl)C1CC1 32880018 RSQYWQBHQSUILR-ZHACJKMWSA-N 370.811 4.825 0 40 FJAB COc1ccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1Cl 35671962 HIJZTMYJNAPKIF-UHFFFAOYSA-N 356.809 4.873 0 40 FJAB O=C(CCN(Cc1ccco1)C1CC1)Nc1c(Cl)cccc1Cl 37176482 RDGMYXQYVGSIBW-UHFFFAOYSA-N 353.249 4.580 0 40 FJAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(Br)cc2Cl)o1 40103534 DKJGXIDVGSMNHV-VIFPVBQESA-N 357.635 4.887 0 40 FJAB Fc1ccccc1-c1n[nH]c(SCCOc2ccc3ccccc3c2)n1 43808389 ZNKRNBWMCAGHNB-UHFFFAOYSA-N 365.433 4.935 0 40 FJAB Cc1ccc(CC(Cc2ccc(C)cc2)N(C)C(=O)c2ccccn2)cc1 72295407 OWDKWZXDALSHPN-UHFFFAOYSA-N 358.485 4.624 0 40 FJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(Cl)c2c1 72329830 WUGBBAXDPCGROE-UHFFFAOYSA-N 370.232 4.822 0 40 FJAB CCSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344149 XGQGHUQHHAHRGC-QWRGUYRKSA-N 374.318 4.699 0 40 FJAB CC(C)(C)[C@H](NCc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 95996232 HCCDCFZJUMPLFN-JOCHJYFZSA-N 374.488 4.950 0 40 FJAB O=C(c1cccc2ccccc12)N1CCC(Oc2ncccc2Cl)CC1 96024789 QJAWMAMBLGUZPI-UHFFFAOYSA-N 366.848 4.572 0 40 FJAB Cc1ccc(CN2CCCC3(CCN(Cc4cccs4)CC3)C2)cc1 96047372 FAFZQMIXTRWFOI-UHFFFAOYSA-N 354.563 4.935 0 40 FJAB c1csc(CN[C@H]2CC3(CCN(CC4CC4)CC3)Oc3ccccc32)c1 96242806 OYRSVIVAVREDKG-FQEVSTJZSA-N 368.546 4.606 0 40 FJAB Cc1nn2c(c1-c1ccccc1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 102660759 DNXXODDPIMFDSZ-NRFANRHFSA-N 356.429 4.925 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2ccccc2Cl)c2ccccc2O1 224925044 IEICTHJHYOPALU-KRWDZBQOSA-N 373.880 4.918 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225333726 PLTQXZVZEHWGTL-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 225642604 HVLRDBVFXBLBTR-UHFFFAOYSA-N 364.489 4.927 0 40 FJAB CCc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225681811 QDAUOWDIQSENNR-GOSISDBHSA-N 370.518 4.846 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 225829416 FZICBKKTQMKNQS-OALUTQOASA-N 359.441 4.568 0 40 FJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12 225905162 JVRUCLQLUIDHEC-OAQYLSRUSA-N 358.482 4.803 0 40 FJAB Nc1nc2c(Cl)cc(NC(=O)c3cccc4ccccc34)cc2s1 226311546 HWJRPBHAXATEIF-UHFFFAOYSA-N 353.834 4.937 0 40 FJAB CN(C)c1ccc(N)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl 226324591 ULUYEBITUCJOIP-UHFFFAOYSA-N 358.656 4.547 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CC(C)C)C2)n1 257253904 KATIENJGKOAUSU-GOSISDBHSA-N 354.469 4.948 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408677371 CHBXRHDICFBUOR-NSHDSACASA-N 368.658 4.817 0 40 FJAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)/C=C/c1ccccc1Cl 727448733 JDOCGJSNLWETIK-ONOODXEBSA-N 367.923 4.711 0 40 FJAB COc1ccc(F)c2[nH]c(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)cc12 1587462871 LUUNEPUZNZPPCX-INIZCTEOSA-N 372.362 4.557 0 40 FJAB O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccccc1Cl 659561 JOZRQKDGBWWPBC-UHFFFAOYSA-N 359.878 4.721 0 40 FJAB COc1cc(Cl)ccc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 693049 YPHLTCPZMUTOCD-UHFFFAOYSA-N 360.841 4.586 0 40 FJAB CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(O)cc12 835755 UCKMHWZVNCYGCB-UHFFFAOYSA-N 374.234 4.584 0 40 FJAB Cc1ccc(C(=O)Nc2cccc(OCC(=O)c3ccc(F)cc3)c2)cc1 993053 MOSIAKOGDBRLMK-UHFFFAOYSA-N 363.388 4.648 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1244099 ITCPEPHYFDREAC-GOSISDBHSA-N 350.805 4.925 0 40 FJAB CCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@](C)(O)CC1(C)C 2227914 PWIQDIFRODNVFE-QGZVFWFLSA-N 359.297 4.913 0 40 FJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 2253705 SAXHQHHXBZHNEE-UHFFFAOYSA-N 352.397 4.644 0 40 FJAB CCCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 2296160 DADXQJHSRBOCAV-UHFFFAOYSA-N 354.519 4.707 0 40 FJAB O=C(NCC1(c2ccccc2)CCCC1)c1ccccc1Br 2313467 UJFCGWRFQFDDSC-UHFFFAOYSA-N 358.279 4.691 0 40 FJAB C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@H](c2ccccc2Cl)CC3=O)C1 2434657 XXOJCYWPOYETKL-KKUMJFAQSA-N 369.896 4.525 0 40 FJAB COc1cc(-c2nc(Cl)nc3ccc(Cl)cc23)cc(OC)c1OC 2479301 FZKRHSMSELOSHG-UHFFFAOYSA-N 365.216 4.629 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)NCc1cccc(C(F)(F)F)c1 2634802 NNFNKVBLTHJSNJ-UHFFFAOYSA-N 362.178 4.871 0 40 FJAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cccc(C(F)(F)F)c1 2714010 FXVLIJYMLGWGIK-UHFFFAOYSA-N 358.291 4.846 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 2787575 GMNXGYZQCWPCKO-LLVKDONJSA-N 352.463 4.750 0 40 FJAB CC(C)CC(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3051546 DGOKKGPZNUGASQ-LBPRGKRZSA-N 358.096 4.611 0 40 FJAB O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(Oc2ccccc2)c1 3209491 IQPCMZIHZFLRNV-ZHZULCJRSA-N 359.356 4.963 0 40 FJAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1 3295945 NRRZRKZZIPTTJM-UHFFFAOYSA-N 373.861 4.891 0 40 FJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1 3531156 HGUGJGYFUCLWRG-IBGZPJMESA-N 374.469 4.510 0 40 FJAB COc1ccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)cc1 3912219 LMUVGAHYJNKCFF-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=O)N2c1ccccc1 4034444 CBJSRNNINRMSKX-JTSKRJEESA-N 374.396 4.602 0 40 FJAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3nc(C)cs3)nc2c1 4127325 RNLZDRJXCNQWJS-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)C)C2 4156464 IARWPVFUHGGATM-NSHDSACASA-N 353.484 4.644 0 40 FJAB O=C(c1cccc(F)c1)N(Cc1ccccn1)c1nc2ccccc2s1 4304727 BOLMNFCOLYQTES-UHFFFAOYSA-N 363.417 4.677 0 40 FJAB COc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)nc1 5267284 JXTVWGJJGLGGDG-UHFFFAOYSA-N 374.893 4.674 0 40 FJAB CC(C)(C)c1cc(NC(=O)CSC2=Nc3ccccc3CS2)on1 5325779 UMIXRONSVHIJPA-UHFFFAOYSA-N 361.492 4.578 0 40 FJAB O=[S@]1c2ccccc2N=C(c2cccs2)C[C@H]1c1ccccc1O 5890780 NGOLXNTVIRFVBA-YADARESESA-N 353.468 4.827 0 40 FJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(OC)c2)N3)C1 6934496 YERUVQBWOXCGCH-BBATYDOGSA-N 372.490 4.709 0 40 FJAB Clc1ccc(-c2noc(CNc3ccc(Br)cc3)n2)cc1 7115672 UCNPLLRKBKKQHJ-UHFFFAOYSA-N 364.630 4.765 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCCSc2ccccc21 7735412 CFKPEUXMZUCKKS-UHFFFAOYSA-N 351.393 4.777 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c(C(F)(F)F)c1 7807774 YRZDHZHZDQHVIK-UHFFFAOYSA-N 354.715 4.681 0 40 FJAB CN(Cc1ccccc1NCC(=O)Nc1cccc(F)c1)C1CCCCC1 7977091 IEAVXFPBFLSDIE-UHFFFAOYSA-N 369.484 4.641 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl 8881505 RAFFZRVRIGYORI-FQEVSTJZSA-N 352.865 4.526 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1C 9250587 VAPGTFGIYUFBGL-ZDUSSCGKSA-N 372.371 4.643 0 40 FJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CCCCCCC1 9337865 PBEWOVORXYCTCU-UHFFFAOYSA-N 350.528 4.884 0 40 FJAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccccc1Cl 9827854 RWUPUPDBEYZATB-UHFFFAOYSA-N 364.788 4.950 0 40 FJAB Cc1cc(-c2cnc(N(C)CCc3ccccc3)nc2-c2ccoc2C)on1 12251537 GPRPYUAVLSYQIP-UHFFFAOYSA-N 374.444 4.687 0 40 FJAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 12937859 XTNDOWGPFKDTOJ-QFIPXVFZSA-N 362.498 4.643 0 40 FJAB c1csc(-c2noc(CN3CCC[C@H]3c3nc4ccccc4s3)n2)c1 14158599 WUAPOHQRMSNLQH-ZDUSSCGKSA-N 368.487 4.745 0 40 FJAB O=C1C[C@H](c2ccsc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15083284 AZIKTHYBZAJLJW-GFCCVEGCSA-N 355.440 4.649 0 40 FJAB O=C(Cc1ccc2c(c1)CCC2)N[C@@H](c1ccc(F)cc1)c1cccs1 23041140 YJMAKFWPEBRCHN-QFIPXVFZSA-N 365.473 4.824 0 40 FJAB Nc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1Br 40301873 HYIQXMHPCQXAGX-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 46012539 IWCZBPQFBOVGDO-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 71839311 JGFIZHPOOTWFIO-OAHLLOKOSA-N 370.478 4.555 0 40 FJAB CCc1onc(C)c1-c1nc(NC2CCCCC2)ncc1-c1ccncc1 72342876 HRRHHESBHPALDH-UHFFFAOYSA-N 363.465 4.809 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Oc3cnccn3)c2)c1 76989407 FCZQTOOFYCSPRP-UHFFFAOYSA-N 363.417 4.524 0 40 FJAB COc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1-c1ccccc1 83962595 YWWGRHHFLPZLEX-FPOVZHCZSA-N 361.416 4.787 0 40 FJAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Oc1cccc(C(F)(F)F)c1 84325619 VPDZWTPANIHJKZ-UHFFFAOYSA-N 352.356 4.754 0 40 FJAB C[C@H](c1ccccn1)N(C(=O)c1ccccc1F)c1ccc(N(C)C)cc1 95468115 LYSZPZRBNYTCKX-MRXNPFEDSA-N 363.436 4.695 0 40 FJAB CN(C)CCNCC[C@](C)(c1cccc(C(F)(F)F)c1)c1cccs1 96693164 DIQQAAZOAHNOAD-GOSISDBHSA-N 370.484 4.614 0 40 FJAB Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)O 149634946 DBLBPRFLLZXMOW-INIZCTEOSA-N 366.804 4.670 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 195589354 RNKHNORIPBOFAW-UHFFFAOYSA-N 373.880 4.816 0 40 FJAB C[Si](C)(C)c1c(C(F)(F)F)nc2ccc(F)cc2c1Br 219792329 CSVWVAPCEYYIFI-UHFFFAOYSA-N 366.228 4.700 0 40 FJAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223657887 ICACSNCOYQVXCV-UHFFFAOYSA-N 359.491 4.714 0 40 FJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCCCC2)cc1 224125109 NSLUGYKNFWTGEA-UHFFFAOYSA-N 371.484 4.915 0 40 FJAB CCCOCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 224414530 WJPYSOXOJSHXGO-UHFFFAOYSA-N 367.367 4.893 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COCC(C)C)c1 224450447 QXCXVBMNSRCKJU-UHFFFAOYSA-N 357.450 4.519 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COC(C)C 224718355 OZSLQRPMHCPHQV-UHFFFAOYSA-N 359.491 4.985 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225640773 MYMJTFSWRNWTGB-KRWDZBQOSA-N 367.474 4.618 0 40 FJAB CCOc1ccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)cc1 225848322 RDLARMOVGYHQKC-UHFFFAOYSA-N 370.518 4.850 0 40 FJAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1 225901267 VTFCSEPYVVXFIQ-OPAMFIHVSA-N 370.493 4.946 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)c(C)n1 225904773 QJCCKIRXRDPGGJ-FQEVSTJZSA-N 350.503 4.739 0 40 FJAB CCCCOc1ncc(NC(=O)[C@](C)(CCCC)OCCC)cc1C 225907576 JLSQXWMPLJOLLF-FQEVSTJZSA-N 350.503 4.883 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1F)N2 408994502 HVAZXJPBUOWOOM-NYVOZVTQSA-N 359.400 4.995 0 40 FJAB Cc1cccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)c1 409100692 RQKRMPRGPRAXJJ-UHFFFAOYSA-N 358.470 4.713 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccc(Cl)s1 575609537 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0 40 FJAB C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)CC(C)(C)CC1=O 4915370 UCSIADQIPSFJSN-ARGWCVDVSA-N 373.924 4.692 0 40 FJAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(OC(F)F)cc1 5626801 DOXUQNPPMDELOQ-UHFFFAOYSA-N 360.385 4.567 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccnc1Cl 5780431 LMBKJOMLTYRBAG-UHFFFAOYSA-N 370.286 4.729 0 40 FJAB COc1ccc(NC(=O)CCc2cccc(Br)c2)cc1Cl 5966346 OGWFCDTUSSRPSA-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 6649317 MZXBJZSRJLRPJS-JLHYYAGUSA-N 356.853 4.522 0 40 FJAB COc1cccc(C(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)c1 6810641 BYECILNPTKLMDL-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1 7068237 AFPLTCCYESTPSF-AWEZNQCLSA-N 362.429 4.549 0 40 FJAB CC(C)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)s1 7231894 XEQACVYSIICJNL-SNVBAGLBSA-N 371.528 4.545 0 40 FJAB CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 8654019 JBTGFPJGXMYCIA-SJLPKXTDSA-N 361.489 4.911 0 40 FJAB 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370.424 4.841 0 40 FJAB Cn1ccc2c(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cccc21 71289136 XNHHQUKACMHROE-UHFFFAOYSA-N 363.848 4.512 0 40 FJAB biogenic COc1ccc(Nc2nc(C(=O)Nc3cc(F)ccc3C)cs2)cc1 72293066 LTAWISWGQDUCKB-UHFFFAOYSA-N 357.410 4.595 0 40 FJAB CC(=O)Nc1cccc(NCc2ncc(-c3ccccc3Cl)o2)c1C 72911385 IFFQNEIXSPOXLQ-UHFFFAOYSA-N 355.825 4.874 0 40 FJAB C[Si](C)(C)c1cc2nc(C(F)(F)F)cc(Br)c2cc1F 219791920 UZJIWLLMHQDIJZ-UHFFFAOYSA-N 366.228 4.700 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Nc1cccc(Cl)c1 222632123 HREIGVAZFGRICI-INIZCTEOSA-N 360.841 4.773 0 40 FJAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCCCCC2)cc1 224133220 ZJORYUHZDOAPBS-UHFFFAOYSA-N 364.533 4.814 0 40 FJAB CCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1C 224326652 QKQDUFIYVDEAQQ-UHFFFAOYSA-N 369.461 4.621 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cc2ccncc2)cc1 224617265 JWRMXPOVXLHRLL-HXUWFJFHSA-N 364.420 4.608 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(F)(F)F)cc1 224847435 TWUSMFOSCBAUTQ-CYBMUJFWSA-N 363.379 4.990 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)cc1)CC(C)(C)O2 225680697 QYKVKOGQGRNVRT-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)s1 225702626 JPGBTEWBMROLCZ-NSHDSACASA-N 363.788 4.538 0 40 FJAB CCC[n+]1cc(Br)cc(-c2nc3ccc(F)cc3s2)c1 226776812 MIYHHSHEEVNJEF-UHFFFAOYSA-N 352.252 4.562 0 40 FJAB CCN1Cc2ccccc2OC2(CCC(N(C)C[C@H]3CC=CCC3)CC2)C1 257245177 IOJHWJJEEJAVOC-INVBSJAUSA-N 368.565 4.870 0 40 FJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1F 408574813 LJNGICQRBZGADF-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccccc4O)C(=O)O3)sc2c1 408837952 AXEHSRGJXFVREI-UKTHLTGXSA-N 369.829 4.913 0 40 FJAB CCCCOc1ccc(NC(=O)Nc2ccc(-c3ccncc3)nc2)cc1 585149381 CRSMIKYZBVDWDG-UHFFFAOYSA-N 362.433 4.967 0 40 FJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccco1 940891 ZXCUPDRHROEAFA-UHFFFAOYSA-N 355.415 4.746 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 1026437 BKVBKXYCDGGCEH-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1ccccc1 2629194 CJHGFYFIJOICMV-DTQAZKPQSA-N 357.453 4.638 0 40 FJAB CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1C 2684560 UKSZDCABVRPLNQ-UHFFFAOYSA-N 374.249 4.579 0 40 FJAB Cc1ccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)cc1 3315977 QVBPZUSHHLJHAG-UHFFFAOYSA-N 365.521 4.810 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)ns2)c(C)c1 4167228 HFRJWOOPESXLOA-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3C)ns2)c1 4167438 UIAVSMCZDGVMHP-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB Cc1ccc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 4657387 ZNNFKLBBRPCSQU-BZSISCHUSA-N 370.562 4.513 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 4816511 LTPBWWHLRKJSFF-SFTDATJTSA-N 374.488 4.844 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1cccc(Cl)c1 4887914 FUBOBDOVQPLINL-SEJPIABJSA-N 368.908 4.656 0 40 FJAB CC1(C)c2ccccc2[C@](C)(Br)C(C)(C)S(=O)(=O)C1(C)C 4974732 UYCNDBNDSPBXFO-KRWDZBQOSA-N 373.356 4.560 0 40 FJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)cc1 5164653 HMOJGKUPOBIJBW-SGNDLWITSA-N 365.517 4.872 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 6563525 QSXLUFWIPUZYLK-UHFFFAOYSA-N 366.505 4.992 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)n2)cc1 6736943 ZTDUAGWXZLPHLI-UHFFFAOYSA-N 369.852 4.749 0 40 FJAB Cc1cc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2n1 7426753 JQFFIQRIVBEJMK-CYBMUJFWSA-N 353.805 4.625 0 40 FJAB Cc1cc(N[C@H](C)c2nc(-c3ccccc3)no2)ccc1Br 8706901 DQKDXCYHFRPGDM-GFCCVEGCSA-N 358.239 4.981 0 40 FJAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc2c1 8868864 SBFNKJVCVTWKLX-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1 9063015 OFARAXSESOXAGM-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1 10254583 DTOIUMYTLNPKJS-UHFFFAOYSA-N 372.852 4.601 0 40 FJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)c(Cl)c1 10491073 VOSUDCJFETUIER-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccc(Br)s2)cs1 10573643 KXJKUQAGUHKVQH-VIFPVBQESA-N 369.309 4.929 0 40 FJAB COc1ccc(-c2nnc(SCc3ccccc3OC(F)F)o2)cc1 10993074 RCWDUYMLKPOUEN-UHFFFAOYSA-N 364.373 4.639 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 11009363 XCPUGXLTADVYCQ-UHFFFAOYSA-N 355.781 4.829 0 40 FJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2 12603179 DTMDQGQIAKLKNM-XMMPIXPASA-N 359.469 4.852 0 40 FJAB Fc1ccc(-c2nc(CSc3nccn3-c3ccccc3)co2)cc1 12775907 LDMIUZBKTWMXOW-UHFFFAOYSA-N 351.406 4.959 0 40 FJAB CC[C@@H]1CCCCN1c1nc(-c2cccc(OC)c2O)nc2ccccc12 13127424 QKIPZWIPWXDLCI-OAHLLOKOSA-N 363.461 4.780 0 40 FJAB aggregator CC(=O)N(Cc1cccnc1)c1cccc(-c2nc3ccccc3s2)c1 13282887 IQXGHYCPBBETEO-UHFFFAOYSA-N 359.454 4.911 0 40 FJAB Fc1cccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 13691402 RLOLVGKFTOQIBO-UHFFFAOYSA-N 355.438 4.543 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(F)c(F)c1 14186855 WKXDAUUIIGLXBQ-AWEZNQCLSA-N 355.432 4.677 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)nc1)c1csc(-c2cccs2)n1 14810493 AMOHESHZSGCFFV-UHFFFAOYSA-N 370.503 4.509 0 40 FJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)cc1OC 19240225 JZAVHPULKSVAJZ-INIZCTEOSA-N 374.531 4.604 0 40 FJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC(C)C)cc1)NCC2 20507005 GDECODBDFLBNHY-JOCHJYFZSA-N 355.478 4.506 0 40 FJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(Cl)c1 21711285 NMLBKGZCROGPPW-UHFFFAOYSA-N 371.790 4.852 0 40 FJAB Cc1sc(NC(=O)c2ccc(N(C)C)cc2)nc1-c1ccc(F)c(F)c1 22744956 GBKRIPOPUWFETL-UHFFFAOYSA-N 373.428 4.715 0 40 FJAB Cc1ccc(N(Cc2ccco2)C(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 24636789 ITTFUPICEFMWDY-JWTNVVGKSA-N 351.446 4.517 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(-c4ccn[nH]4)c3)o2)cc1 24889160 NLWXPXJZCQJICY-UHFFFAOYSA-N 372.428 4.611 0 40 FJAB Cc1csc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)n1 25177659 YPZGHUOKQKGSIW-UHFFFAOYSA-N 370.459 4.585 0 40 FJAB CC(=O)c1c(C)cc(C)c(CNc2cc3c(cc2Cl)OCCO3)c1C 29691150 YEYSKCOYJJTTKQ-UHFFFAOYSA-N 359.853 4.851 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)CCSc1nc2ccccc2s1 32768353 PIOPTXIYYQSANS-CQSZACIVSA-N 356.516 4.964 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccccc1F)C1CC1 32900436 YPAFWGUDLCIVPH-UHFFFAOYSA-N 364.420 4.523 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)c(C)c1 36616398 DFOZDHWBCQDGKT-UHFFFAOYSA-N 356.429 4.504 0 40 FJAB CN(C)Cc1ccc(CNC(=O)Nc2ccccc2Cc2ccccc2)cc1 40023982 XYEAUWOMPIFJRQ-UHFFFAOYSA-N 373.500 4.661 0 40 FJAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 45617375 QYXNEXYBJRAZLF-UHFFFAOYSA-N 360.498 4.570 0 40 FJAB COc1cc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)ccc1O 95349959 KFXFLQNPAWLOKG-UHFFFAOYSA-N 373.861 4.713 0 40 FJAB Cc1csc(-c2cccc(NC(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)c2)n1 95464603 KGUNQTBTRQBHRA-MSOLQXFVSA-N 373.522 4.834 0 40 FJAB CCOc1ccc(CCC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 107134141 CSPCQVCUVOCYFC-JAXLGGSGSA-N 355.522 4.693 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)O)[C@@]4(C)CC[C@@H]32)C1 118913934 KXWWWRVUYQUXMN-MNSAEQACSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@@H](C)c2cccc(O)c21 186292922 BRXKMBZPMDZUCO-GFCCVEGCSA-N 368.458 4.500 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 222976817 LWRXFTCVBVBKJF-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCC2 223185328 UTVHHDVBAXFUQC-NSHDSACASA-N 370.301 4.522 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 224054168 JAGKAUDZNGLVKR-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(Cl)cc1 224496439 POSRBMGILYVLCZ-UHFFFAOYSA-N 373.880 4.990 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225545796 DMVLQHGYNCHSNU-UHFFFAOYSA-N 371.452 4.692 0 40 FJAB COc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)c(OC)c1 225848726 PQSLWEWSSVGODJ-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB Cc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1Cl 226271800 LHURPMMBXQECMZ-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB COc1ccccc1-c1nnc(SC(=O)c2cccc3ccccc23)o1 408624553 UYWJRNAIRCTGRH-UHFFFAOYSA-N 362.410 4.831 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(F)cc2)c1 408697793 JOHXLFLCHUDUJI-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O 409238269 WOUFXHBAAZPKMC-KBVGCWLLSA-N 353.871 4.964 0 40 FJAB Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)nc(-c2ccccn2)n1 509483979 AXSAYRIGUOTUFI-ACDBMABISA-N 356.473 4.762 0 40 FJAB COc1cccc2c1CCCCN2C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 513889257 PLSGSZQGOLMOEU-UONOGXRCSA-N 355.400 4.733 0 40 FJAB CSc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2nccn2C)s1 564131868 KARNVRNVMRVWMC-INIZCTEOSA-N 363.939 4.736 0 40 FJAB CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1ncnc2sccc12 581862412 HEYPKKCHVIPCSL-AWEZNQCLSA-N 366.870 4.776 0 40 FJAB c1ccc(-c2nnc(SCCN3CCCCC3)n2-c2ccccc2)cc1 860553 RWXXRWKESYQAKM-UHFFFAOYSA-N 364.518 4.512 0 40 FJAB CSc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 1511266 CQLXCKHNAYJGPH-OQLLNIDSSA-N 374.259 4.516 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(CC)c1)CO3 2117209 SAWFVBUBWBQLDU-UHFFFAOYSA-N 363.457 4.973 0 40 FJAB biogenic O=C([C@H](Sc1ccccc1)c1ccccc1)n1cc(Br)cn1 2762807 SQAZFZAWOCRNOH-MRXNPFEDSA-N 373.275 4.819 0 40 FJAB CC(C)COC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 3668685 BMALNFRWUWZDAC-UHFFFAOYSA-N 363.483 4.619 0 40 FJAB CCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O 4043672 OMGCJMSRRORYQI-UHFFFAOYSA-N 356.805 4.579 0 40 FJAB biogenic O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)C1CCCCC1 4092381 BNIVZPLXXDXLMS-UHFFFAOYSA-N 363.505 4.532 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c(C)c1 5060107 UYWAQGHNJDHIGC-YCRPNKLZSA-N 367.518 4.638 0 40 FJAB CCN(CC)CCCN(c1ccccc1)[C@H]1Cc2ccccc2[C@@H]1OC 5316022 QQGGXAOUSKREAE-GOTSBHOMSA-N 352.522 4.537 0 40 FJAB in-man CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](CC)C4)N2)ccc1O 5984705 IDKNQQFIIMRUII-ZMZPIMSZSA-N 372.490 4.796 0 40 FJAB CCOc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(OCC)c1OCC 6649579 YCQXCHHGSPVBAP-UHFFFAOYSA-N 369.461 4.624 0 40 FJAB Cc1ccc(C)c(NCc2nnc(-c3ccc(Br)cc3)o2)c1 6820874 JATHGMNVDKHDJI-UHFFFAOYSA-N 358.239 4.728 0 40 FJAB CCn1c2ccccc2c2cc(CN(C)C(=O)CCc3cccnc3)ccc21 7314199 UAPFMYKJWPHEKT-UHFFFAOYSA-N 371.484 4.801 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1 7642473 IXNIDRJQKPVQOK-UHFFFAOYSA-N 351.471 4.512 0 40 FJAB Cc1ccc2[nH]c(SCc3nc(-c4ccccc4Cl)no3)nc2c1 7676200 OLSAKVSNZLGIDJ-UHFFFAOYSA-N 356.838 4.867 0 40 FJAB CCOc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(C)cc1 10254506 ABKVNRCHUSLNAF-UHFFFAOYSA-N 366.461 4.646 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)NC1CCCC1 12789730 DHXYYFSXKDVLMF-UHFFFAOYSA-N 372.468 4.693 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)Cc1csc(-c2cccs2)n1 12910248 PSJZVXKFGYONAB-UHFFFAOYSA-N 362.907 4.726 0 40 FJAB C[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13495001 TZUHUPROAMIJJR-ZDUSSCGKSA-N 367.424 4.664 0 40 FJAB Cc1cc(O[C@@H]2OCCO[C@@H]2Oc2ccc(Cl)c(C)c2)ccc1Cl 15905886 KGNARJIRQANLBD-HDICACEKSA-N 369.244 4.767 0 40 FJAB O=C(Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1ccco1 16790351 DTNJWCAQJQNSCX-CCHVVGMOSA-N 362.882 4.818 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Br)cc1 20459325 MGTBVSJBVUXUTF-LLVKDONJSA-N 366.280 4.577 0 40 FJAB CCCCC[C@@H](C)NC(=O)c1cccnc1SCc1c(C)noc1C 21203613 SFCUPZIXWKDCIJ-CYBMUJFWSA-N 361.511 4.677 0 40 FJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1OC(F)F 21829998 JTPVLHZSHMIVMJ-MRXNPFEDSA-N 351.780 4.823 0 40 FJAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)oc2ccccc12 27664678 NWJUAOXOETWRNM-KRWDZBQOSA-N 368.502 4.760 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2c(C)cccc2s1 27976985 JCLNAPNUGWMEMV-UHFFFAOYSA-N 362.458 4.660 0 40 FJAB CC[C@@H](C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccccc1 32609699 VBXXYXJLMIKWPC-MRXNPFEDSA-N 371.843 4.856 0 40 FJAB CC1(C)CC(NC(=O)Nc2ccccc2Cc2ccccc2)CC(C)(C)N1 36391268 RBXMDYZUTLGAGZ-UHFFFAOYSA-N 365.521 4.708 0 40 FJAB COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 36621045 NBGOGWHZCLZLRE-QGZVFWFLSA-N 360.841 4.726 0 40 FJAB COc1ccc(OC)c(NC(=O)N(C)Cc2cccc(Cl)c2Cl)c1 40098000 QVUKCGNONRMBBP-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB OC1=Nc2c(ncn2-c2cccc(Br)c2)[C@@H](c2cccs2)C1 40268448 USDBTBQDNFAECV-GFCCVEGCSA-N 374.263 4.820 0 40 FJAB O=C(CNc1cccc(OC2CCCC2)c1)N1CCC[C@H]1c1cccs1 58128963 JAHUKXVAPIBLLE-IBGZPJMESA-N 370.518 4.845 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccccc1F 58618437 GDVIMODPOSSACT-LSDHHAIUSA-N 351.343 4.607 0 40 FJAB CCC[C@@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccccc1 71195104 WLMXYVZSWFGBHQ-INIZCTEOSA-N 370.399 4.934 0 40 FJAB CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72214367 SGRBOVHLIJWLDU-SFHVURJKSA-N 353.466 4.766 0 40 FJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(O)=N2 79484907 RORACDQXYRJBDZ-QGZVFWFLSA-N 370.865 4.653 0 40 FJAB O=C(NCC1CCCCC1)C1(c2ccc(Cl)cc2Cl)CCOCC1 84341464 SFBAUQQENZFDTH-UHFFFAOYSA-N 370.320 4.738 0 40 FJAB C[C@H]1CN(c2ccccc2NC(=O)NC2CCCCCCC2)C[C@@H](C)O1 84713894 QFKYFZORVHWIKS-CALCHBBNSA-N 359.514 4.535 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1/C(=O)Nc2cc(Cl)ccc21 96883971 KQKWPJZIHNGIQR-VCHYOVAHSA-N 367.811 4.774 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccco2)C[C@@H](c2cccc(Cl)c2)C1 102571045 GBTLVGGSIVPMPM-KZULUSFZSA-N 366.808 4.590 0 40 FJAB CCSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 102579271 QFYRTWGHSWGXDZ-CQSZACIVSA-N 360.508 4.759 0 40 FJAB CCc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2c(Cl)cccc23)cc1 102730534 PMBRKLRHZDAITA-QFBILLFUSA-N 358.894 4.837 0 40 FJAB CCOc1ccccc1CCCNC(=O)c1cc2ccccc2cc1OC 216350238 CRQNKLOUWSVHSR-UHFFFAOYSA-N 363.457 4.610 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(C)c(C)c1 222805731 ISXFONCNDZQILQ-HXUWFJFHSA-N 351.490 4.963 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1Cl 224137353 HLMNTBHTERMNKF-UHFFFAOYSA-N 373.880 4.944 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224438686 BPTGPERAKORGBU-QFIPXVFZSA-N 360.457 4.777 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2F)cc1COCc1ccccc1 224459550 HIJJGHBBFRGNMU-UHFFFAOYSA-N 365.404 4.803 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3)o2)cc1 224857325 QRLSWYBDIOUIKU-UHFFFAOYSA-N 370.836 4.965 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(Cl)c1 225581558 IPEBYHSGADTIFA-INIZCTEOSA-N 353.963 4.589 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1Cl 226255365 KMPXTBDYDPEPRD-UHFFFAOYSA-N 357.885 4.719 0 40 FJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)cc1 409001183 VFBZGHIIHMPIRM-PUHATCMVSA-N 371.436 4.864 0 40 FJAB c1ccc(-c2cnc(Nc3cccc(C[C@H]4CCCNCC4)n3)s2)cc1 585263068 IJPJEGIQTOPFQR-INIZCTEOSA-N 364.518 4.881 0 40 FJAB O=C(NCc1cccc(-c2ccccn2)c1)NC1CCC2(CC1)CC2(F)F 664500386 FHDUMHBRCOTFFW-UHFFFAOYSA-N 371.431 4.516 0 40 FJAB Cc1cccc(Nc2nc(C)c3nc(S)n(-c4cccc(C)c4)c3n2)c1 1505840586 DEQJUVUTMHHDMX-UHFFFAOYSA-N 361.474 4.773 0 40 FJAB CCN(CC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 786497 DKJKCAUMSQTYMP-HNNXBMFYSA-N 365.304 4.804 0 40 FJAB C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 1324063 AGFKTPQPFURZHG-XIKOKIGWSA-N 353.384 4.801 0 40 FJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccc(F)cc1 1447878 SITMISMJVSTVBD-UHFFFAOYSA-N 374.367 4.861 0 40 FJAB biogenic COC1(OC)[C@@]2(Cl)C(c3ccccc3)=C[C@]1(Cl)C(Cl)=C2Cl 1701988 ZJISSEZHGZUVDT-UONOGXRCSA-N 366.071 4.731 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2F)c2cc3cccc(C)c3nc21 2406848 RPHSHMKPYVJFGX-UHFFFAOYSA-N 362.408 4.694 0 40 FJAB Cc1c(-c2ccc(O)cc2)c(=O)oc2c(Cl)cc(Br)cc12 2581721 PZOHXPHPZJLKIN-UHFFFAOYSA-N 365.610 4.890 0 40 FJAB biogenic Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1 2624115 ZZCFEKCNAKAUQE-UHFFFAOYSA-N 362.545 4.955 0 40 FJAB O=C(CSc1nc(O)c2ccccc2n1)c1ccc(Cl)cc1Cl 2665061 HLOSTAFUUJYITQ-UHFFFAOYSA-N 365.241 4.617 0 40 FJAB CCCCNc1nc(SCC(=O)c2ccccc2)nc2ccccc12 2941575 FWDMLYCQIIVHGW-UHFFFAOYSA-N 351.475 4.817 0 40 FJAB CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 3235856 RORRLKMSKVYHLJ-AWEZNQCLSA-N 366.244 4.669 0 40 FJAB Cc1csc2nc(-c3cccc(NC(=O)c4c(F)cccc4F)c3)cn12 4249062 UDKGSMWDZIAFME-UHFFFAOYSA-N 369.396 4.902 0 40 FJAB aggregator C/C(=C/c1ccccc1)[C@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4554081 MCTAXHIAVFVFTN-RNUYOQPASA-N 367.518 4.674 0 40 FJAB Cn1c(-c2cccc(Br)c2)cnc1NCc1cccc(F)c1 4678295 BTTWEUPITDMCCA-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(F)c2)cc1 5066095 KGDOMQLEUBLJLS-UHFFFAOYSA-N 370.387 4.783 0 40 FJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1 5155758 UVOCKBWJADXADZ-VABKMULXSA-N 369.480 4.703 0 40 FJAB CCSc1ccccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 5240694 SKMGPOVAZMNMLD-UHFFFAOYSA-N 371.487 4.619 0 40 FJAB COc1ccc(NC(=O)c2cccc3ccccc23)cc1N1CCCCC1=O 5441943 IPCQIIXBOAMEMZ-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB Cc1ccc(SCc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 5546190 FKWXHYJHDPSLEC-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2 6097884 UFGURQIYJSOXLQ-HUUCEWRRSA-N 372.538 4.637 0 40 FJAB Cc1ccc(OCCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 6647256 CHUIXXRBSJYSHG-ZHACJKMWSA-N 358.441 4.968 0 40 FJAB COc1ccc(NC(=O)Cc2coc3ccc(C(C)C)cc23)c(OC)c1 6809870 PZXOUHFOVWZDBG-UHFFFAOYSA-N 353.418 4.755 0 40 FJAB COc1cc(CNC(C)(C)C)ccc1OCc1ccc(F)cc1Cl 6882544 ZHMOENZYGAYSPV-UHFFFAOYSA-N 351.849 4.955 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 7929437 YYLALRTYBSZCEB-GOSISDBHSA-N 365.473 4.694 0 40 FJAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(C)c(C)c2)o1 8279678 RYTXFSLBUFZNQT-CQSZACIVSA-N 368.458 4.726 0 40 FJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 8959975 KORUOFJVHPRBGI-UHFFFAOYSA-N 374.525 4.859 0 40 FJAB CCOC(=O)c1oc2cc(NC(=O)c3ccccc3Cl)ccc2c1C 9659903 CFCXVDPFYJHNNK-UHFFFAOYSA-N 357.793 4.824 0 40 FJAB biogenic O=C(N[C@H](c1ccccc1)C1CC1)c1cc(Br)ccc1Cl 11204474 MBDZVZGAHIATBS-MRXNPFEDSA-N 364.670 4.984 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@@H]2CCCC[C@H]21 12550381 ZQPVNSBBGSIPQP-LAUBAEHRSA-N 359.473 4.820 0 40 FJAB CSc1ccc(CN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12607372 WGDLKOAPGOSHLD-UHFFFAOYSA-N 369.515 4.529 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 12757076 GRFWDAWVADUAMP-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB COC(=O)c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1C 13688348 IRQAVBBBLWWHHK-UHFFFAOYSA-N 373.452 4.819 0 40 FJAB CC1(C)CC(O)CC(C)(C)N1C(=S)Nc1ccc(Cl)cc1Cl 16577768 UWPHTCOLFQVCDP-UHFFFAOYSA-N 361.338 4.704 0 40 FJAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-c2nccs2)cc1 17590922 QWQSJNHIGBZJEB-IZZDOVSWSA-N 372.453 4.648 0 40 FJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(Br)c1 20029720 FGIRWBBAEQIULK-SNVBAGLBSA-N 372.184 4.959 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20105559 RBBABYVAAXUHFD-NHCUHLMSSA-N 373.468 4.895 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)c(Cl)c1 22509477 RAFRIWYYRLLDKO-CSKARUKUSA-N 364.228 4.822 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1 27662272 MTVPJCRPWZNIFO-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2c1 28227073 XESDABZQFPLKGQ-GASCZTMLSA-N 366.486 4.521 0 40 FJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 32610130 CURFHYLBYFSQGB-RYUDHWBXSA-N 368.260 4.647 0 40 FJAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCCC2=CCCCC2)CC1=O 32958764 FITNPPFIGDHMPA-MJGOQNOKSA-N 368.521 4.560 0 40 FJAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCCC2=CCCCC2)CC1=O 32958770 FITNPPFIGDHMPA-PKOBYXMFSA-N 368.521 4.560 0 40 FJAB C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](S)CC1=CC(=O)CC[C@@]13C 34002560 NZCDWYJROUPYPT-FLSZIVPYSA-N 374.546 4.502 0 40 FJAB Cc1cccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)c1C 41156584 MBCDAIALSUJQMO-UHFFFAOYSA-N 359.469 4.631 0 40 FJAB CC(C)Sc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 41466512 OWCYHHIIZVBTBM-UHFFFAOYSA-N 354.475 4.566 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(OC)c1 42124284 IFDDGIVJWYHJBZ-OAHLLOKOSA-N 357.450 4.542 0 40 FJAB COc1c(Br)cc(C(C)C)cc1C(=O)N1CCCC[C@H]1C 57339377 BCBCPTCNYIAXIU-GFCCVEGCSA-N 354.288 4.596 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 63887813 ARSDXTPRCOGQKB-UHFFFAOYSA-N 364.445 4.847 0 40 FJAB c1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc4nccnc34)C2)cc1 72314679 LJOWIZCHUXTYRI-JOCHJYFZSA-N 350.425 4.986 0 40 FJAB C[C@@H](Oc1cccnc1NC(=O)c1ccc(F)cc1F)c1ccccc1 75104481 JFFCGIWYFHQEPU-CYBMUJFWSA-N 354.356 4.752 0 40 FJAB Cc1ccccc1Cc1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 75107970 XDANTSJLRXTHIF-UHFFFAOYSA-N 368.864 4.719 0 40 FJAB c1ccc(-c2nsc(N3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 95407755 TVCKHZBTPMQMQP-HNNXBMFYSA-N 362.458 4.730 0 40 FJAB Cc1cccn2cc(-c3ccccc3NC(=O)CSC3CCCC3)nc12 206901205 IHSLURSBINGCRI-UHFFFAOYSA-N 365.502 4.924 0 40 FJAB Cc1ccc(-c2nn3c(C(F)(F)F)cc(C)nc3c2Br)cc1 215881143 FGLZVOUGRZXPHL-UHFFFAOYSA-N 370.172 4.794 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219330072 VVKCVOGRYSHXQG-VQTJNVASSA-N 367.489 4.879 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)C2(c3ccccc3)CCCC2)c1 222749248 LKDAYQBHIOOHRP-UHFFFAOYSA-N 351.446 4.622 0 40 FJAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223140878 OWEKYCYCEGFAIV-JOCHJYFZSA-N 351.490 4.774 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cccc3ccccc23)c(C)c1 223720872 KTSYJFBLJHZAHL-UHFFFAOYSA-N 353.487 4.586 0 40 FJAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 224565660 XRQBZOZPYXUEJN-GFCCVEGCSA-N 372.317 4.736 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1C 225371381 KXIPEHRDYKMAOR-VGSWGCGISA-N 351.490 4.909 0 40 FJAB S=C(Nc1cccnc1)NC1(CCc2ccc(Cl)cc2)CCCC1 225874175 BONQWIROFUTZHG-UHFFFAOYSA-N 359.926 4.967 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2F)cc1 408677686 QQHGFZATIYNESQ-UHFFFAOYSA-N 372.399 4.875 0 40 FJAB C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(F)cc1 554354678 MPKGFROHENSFEI-GFCCVEGCSA-N 354.347 4.939 0 40 FJAB Cc1c(NC(=O)c2cccc(C(C)(C)C)c2)cnn1-c1ccc(F)cc1 1585401019 VHGVXZTVRNSQIS-UHFFFAOYSA-N 351.425 4.870 0 40 FJAB Cc1ccc(C)n1-c1sccc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 1629433598 WSGHOZLMIBWRLM-CYBMUJFWSA-N 360.429 4.925 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 682387 KOJZVACYOICBNC-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB O=C(CSc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1 1082647 LNZUEYJZIWFYMK-UHFFFAOYSA-N 362.376 4.984 0 40 FJAB Cc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCCC3 1299984 LWIQKHOSYZAOAQ-UHFFFAOYSA-N 366.515 4.819 0 40 FJAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 1576347 MKKCVNJPERCQBR-KXBFYZLASA-N 369.461 4.814 0 40 FJAB COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC 1722761 ORQFDHFZSMXRLM-HZPDHXFCSA-N 358.478 4.778 0 40 FJAB biogenic,investigational Fc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 2221340 YWXCTEUTYMYZIM-UHFFFAOYSA-N 362.433 4.761 0 40 FJAB Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 2951247 KVLNQGAUGRRKMF-QOCHGBHMSA-N 361.426 4.682 0 40 FJAB COc1cc(SC)ccc1C(=O)OCc1ccc(Br)cc1 3233264 KNXSDXTVGVJYKS-UHFFFAOYSA-N 367.264 4.537 0 40 FJAB O=C(CSc1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 3473813 GPZXUTAFNPJRCK-QGZVFWFLSA-N 365.420 4.991 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc4ccccc4c2)N3)C1 4556169 PZBAGRIDWPUUEP-IBGZPJMESA-N 363.486 4.708 0 40 FJAB Cc1cc(Br)ccc1NC(=O)COc1ccc2ccccc2c1 4666251 OSNZCSCLWQCCCU-UHFFFAOYSA-N 370.246 4.928 0 40 FJAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Cl)cc1 4677356 WNHNVCJGXPKTNC-PGMHBOJBSA-N 367.619 4.724 0 40 FJAB CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 4888130 AZZGXBSBHMXPPG-JEPFWEBQSA-N 358.570 4.505 0 40 FJAB CCc1ccc2[nH]c(C)c(SC(F)(F)[C@@H](F)C(F)(F)F)c(=O)c2c1 5050436 HYGXWWNKOCFVSY-ZDUSSCGKSA-N 369.330 4.984 0 40 FJAB COc1ccc(Sc2ccc(Sc3ccc(OC)cc3)nn2)cc1 5527052 FZIKUHUMYCDCOJ-UHFFFAOYSA-N 356.472 4.796 0 40 FJAB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccccc2F)CS3)cc1 5851308 OLQUFCMHGLOOSC-UHFFFAOYSA-N 366.465 4.740 0 40 FJAB CC(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C\c1ccc(Cl)cc1 6645913 OWZUYUROXCIEDY-LEMUSSHESA-N 360.757 4.658 0 40 FJAB O=C(NC1CC1)[C@@H](Sc1nc(-c2ccccc2)cs1)c1ccccc1 7501837 MLIDBONYVHCRPV-SFHVURJKSA-N 366.511 4.922 0 40 FJAB O=C(O)c1ccc(CNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 7539832 NXQRBUWRLVMEMM-UHFFFAOYSA-N 359.784 4.727 0 40 FJAB S=c1[nH]nc(-c2ccccc2)n1NCc1c(Cl)cccc1Cl 7601472 FFQYFPAUIYWKFJ-UHFFFAOYSA-N 351.262 4.658 0 40 FJAB Fc1ccccc1Nc1nnc(Sc2ncnc3sccc23)s1 7783152 NEILTAMSCQGSMQ-UHFFFAOYSA-N 361.452 4.577 0 40 FJAB Cc1nc(SCC(=O)NC2CCCCCC2)n(C2CCCCC2)c1C 9338323 XNTWTCMLWSVLKR-UHFFFAOYSA-N 363.571 4.936 0 40 FJAB CC(=O)c1sc(NC(=O)CCCSc2ccc(Cl)cc2)nc1C 10218158 JZJSKDCVUKOKSS-UHFFFAOYSA-N 368.911 4.819 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 10287013 ZRVOQIPRXVSALY-KGLIPLIRSA-N 368.433 4.571 0 40 FJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCCC2)cc1 10430416 KNDIFSOJGOBJSW-UHFFFAOYSA-N 363.505 4.525 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1nccs1 11326661 VGJNBHZKXGGETR-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nccn1-c1ccccc1 12741134 QROOHHUNFLSUDS-AWEZNQCLSA-N 371.893 4.953 0 40 FJAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCCC1 12782588 HXFCJXPRUMYUQA-UHFFFAOYSA-N 360.457 4.954 0 40 FJAB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3)C[C@@H]21 13036356 FOIDJJULTXQNDG-GHTZIAJQSA-N 362.454 4.999 0 40 FJAB CN(C)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 14258284 RRZHCXMFGBXIGM-UHFFFAOYSA-N 352.478 4.818 0 40 FJAB Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)cc1F 15358656 JCNYHVFFCORKCF-HXUWFJFHSA-N 372.440 4.652 0 40 FJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)c2ccccn2)o1 15669863 REBOCOXJEFGSBU-UHFFFAOYSA-N 364.445 4.719 0 40 FJAB C[C@@H](c1ccc(OC(F)(F)F)cc1)n1c(=S)[nH]c2ccccc2c1=O 27223459 BMQZEUIFRAIKIG-JTQLQIEISA-N 366.364 4.567 0 40 FJAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C 27824923 CBEVZWYJPHIDOT-UHFFFAOYSA-N 361.850 4.581 0 40 FJAB Cc1cccc(OCc2ccc(C(=O)NCc3ccccc3Cl)o2)c1 28239239 RSHBESHQRSIYBV-UHFFFAOYSA-N 355.821 4.750 0 40 FJAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1cccc(C(C)C)c1 32676143 GKUIQZYQVPCLIK-UHFFFAOYSA-N 371.502 4.893 0 40 FJAB O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H]1c1nc2ccccc2s1 33325954 MPHUWEZADPJOIX-CYBMUJFWSA-N 362.376 4.691 0 40 FJAB OCc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 34772806 BYMLANHAKSIDAP-UHFFFAOYSA-N 362.050 4.827 0 40 FJAB CC(=O)Nc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc1 35045193 RISJQKLNZFJCMJ-SSZFMOIBSA-N 372.424 4.768 0 40 FJAB CC(C)c1cc(C(=O)Nc2c(F)cccc2F)c2cnn(C(C)C)c2n1 57662947 WCHXSNSZFKCMIK-UHFFFAOYSA-N 358.392 4.666 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2cc(F)ccc2C)cc1Cl 71761609 RSMTXSPBILDFSN-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(Nc2ccccc2)nc1 72214118 CFTDZFZQFMTCMX-UHFFFAOYSA-N 369.465 4.703 0 40 FJAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)cnc1N1CCCCC1 72219197 PTVRJNQIUTWKSW-OAQYLSRUSA-N 363.505 4.748 0 40 FJAB Cc1c(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)oc2c(C)cccc12 84230386 YENVOBKCKKTGPQ-SFHVURJKSA-N 369.848 4.917 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2c([nH]c3ccccc23)C1 89915303 KANHUANATOZZPB-UHFFFAOYSA-N 357.457 4.557 0 40 FJAB biogenic CC1(C(=O)Nc2cc(Cl)ccc2F)CCN(Cc2ccccc2)CC1 97165027 VKFYZBVXZKLSFB-UHFFFAOYSA-N 360.860 4.720 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc2ccccc2c1 222795846 UMGHSTLGKSMDQI-IBGZPJMESA-N 353.849 4.967 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221434 XJAFOWCYWQASHS-DYESRHJHSA-N 351.490 4.827 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224198422 JTKOKFHJBCNBKH-QGZVFWFLSA-N 355.478 4.809 0 40 FJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225672929 YYKKBUBMCMXHFM-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)s1 689349 NCEITJRQYLFHOX-UHFFFAOYSA-N 359.454 4.597 0 40 FJAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 1005048 ZNSQBTBEQOALTN-UVTDQMKNSA-N 373.286 4.903 0 40 FJAB O=C(Nc1sc2c(c1CN1CCCCC1)CCCC2)c1ccccc1 3118683 YSIIQRGYAANLCP-UHFFFAOYSA-N 354.519 4.865 0 40 FJAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccncc1)O2 4176626 FTNHRSONTISOAJ-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB C[C@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5622465 OMORPAMVQZCOET-MNOVXSKESA-N 355.290 4.746 0 40 FJAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](CC)C4)N2)ccc1O 5984974 IDKNQQFIIMRUII-VOJFVSQTSA-N 372.490 4.796 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 6840997 MXKXOUGQJBSNTJ-UHFFFAOYSA-N 370.518 4.680 0 40 FJAB O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 7670470 JTEHGWSRMWJWMS-UHFFFAOYSA-N 368.842 4.682 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccncc2)nc2ccccc12 7737601 SMWKQHUAFGBKBX-MRXNPFEDSA-N 365.436 4.888 0 40 FJAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN(C)Cc1ccccc1 8572578 ASOQAEKADZPACQ-UHFFFAOYSA-N 364.489 4.916 0 40 FJAB Cc1ccc(OCc2nc(CSc3nc(C(C)C)n[nH]3)cs2)cc1 10214096 KJYQGGCGFGCHMB-UHFFFAOYSA-N 360.508 4.564 0 40 FJAB COc1ccc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 12531777 FYTFHHZCQDMWEC-SECBINFHSA-N 358.448 4.536 0 40 FJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@H]1c1ccncc1 12563573 VSBAPKUXOZFGTL-NRFANRHFSA-N 370.518 4.655 0 40 FJAB Cc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 12818177 DTSGJUNZVSIZOC-GFCCVEGCSA-N 350.487 4.804 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C 12972889 NDUMUVJKEMVPOP-UHFFFAOYSA-N 372.471 4.609 0 40 FJAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 14136559 FWNHQLAOTMJIHJ-UHFFFAOYSA-N 368.820 4.769 0 40 FJAB C[C@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 19205574 ILUJDPNQPVRONE-VIFPVBQESA-N 356.622 4.733 0 40 FJAB Fc1ccc(CN2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)cc1 19376477 RCSDQZZZZHQGHH-LJQANCHMSA-N 374.419 4.761 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C)c1ccc(C)cc1 24776983 INUAUAZCCPGSJT-SJLPKXTDSA-N 365.473 4.640 0 40 FJAB O=C(NCCc1ccccc1)c1ccc(COc2ccc3ccccc3c2)o1 28224673 MQNPTGBGQQVVKO-UHFFFAOYSA-N 371.436 4.984 0 40 FJAB C[C@@H]1CC(=O)c2c(OC(=O)Cc3c[nH]c4ccccc34)ccc(Cl)c21 32010827 UQBMXLUHHAOCDP-LLVKDONJSA-N 353.805 4.659 0 40 FJAB CCn1c(SCc2csc(-c3ccc(C)o3)n2)nnc1-c1ccco1 32922444 RINBPTRXKIHLQP-UHFFFAOYSA-N 372.475 4.875 0 40 FJAB CN(Cc1ccc(Br)cc1)C(=O)c1cc2ccccc2cc1O 32962299 WCWGIFBQQPFFID-UHFFFAOYSA-N 370.246 4.580 0 40 FJAB Cc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1 35682907 DHASEIYHSHBWEH-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)OC(=O)COc2ccc(C(C)C)c(C)c2)c1 40157859 XWZJUHJBUJMZMH-MRXNPFEDSA-N 369.461 4.760 0 40 FJAB Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478364 CTMJRLZZWVFOAM-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccc(C(C)C)cc2)cc1 44900195 OJEAWJDTVIBMTB-INIZCTEOSA-N 357.519 4.658 0 40 FJAB O=C(NCc1nc2ccccc2s1)NCc1csc2ccccc12 61233157 RCYWCHJLTDCXJJ-UHFFFAOYSA-N 353.472 4.510 0 40 FJAB COc1nc(C(=O)Nc2cnccc2Oc2ccccc2)cc2ccccc12 65552039 WDRCCCQFBXPJEI-UHFFFAOYSA-N 371.396 4.683 0 40 FJAB CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215340 GYMCZHUKNAIDHB-GOSISDBHSA-N 359.514 4.923 0 40 FJAB CCc1cccc(C)c1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 72294146 DRSVREICQLEHSX-IBGZPJMESA-N 365.521 4.686 0 40 FJAB Cc1ccccc1-c1cc(NC(=O)c2cccc(Cl)c2Cl)n(C)n1 74286044 SYYZHORFYATBFX-UHFFFAOYSA-N 360.244 4.955 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 101327765 VCTLNUYPMBPRDQ-BGPZULBFSA-N 356.293 4.702 0 40 FJAB FC(F)Oc1ccc(-c2cs/c(=N/c3cccnc3)n2C2CC2)cc1 103462403 VNUSZJYVWVLMKL-RELWKKBWSA-N 359.401 4.780 0 40 FJAB O=C(NCCCSc1ccccc1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 105177193 PIQJKOLVGQWJDH-MVYVIFSASA-N 363.954 4.863 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)c(C)c1 206586981 WQZQXYGKMHFRMQ-UHFFFAOYSA-N 367.424 4.888 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 219530923 DPXPGVHYBBUIQQ-WIYYLYMNSA-N 369.505 4.983 0 40 FJAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(OCc2ccccc2)cc1 222572171 JYLSHJXPRYUNQM-UHFFFAOYSA-N 361.445 4.740 0 40 FJAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C(C)C 222609737 MLYAJRIGQZEAAA-KYNGSXCRSA-N 354.523 4.670 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCc2cccc3ccccc23)c1C 222673401 CFGNVMOZDOEJAI-UHFFFAOYSA-N 361.441 4.896 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221490 XJAFOWCYWQASHS-UTKZUKDTSA-N 351.490 4.827 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)C 223790241 ICWHPQLCEUKOCN-OAQYLSRUSA-N 369.505 4.779 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F 224250925 ZZAHNJAMQBHOTH-ZDUSSCGKSA-N 351.874 4.898 0 40 FJAB O=C(c1nc2ccccc2s1)N1CCc2cc(-c3ccncc3)ccc21 225638308 MIQJNJJZFXOFQD-UHFFFAOYSA-N 357.438 4.561 0 40 FJAB COc1ccc2oc(CN3CCC(c4ccc5cccnc5n4)CC3)cc2c1 656272111 ZGBCEASZUBRNGQ-UHFFFAOYSA-N 373.456 4.764 0 40 FJAB Cc1ccc2cc(C(=O)N3CCC(n4c(C)nc5ccccc54)CC3)[nH]c2c1 684499912 WNAYEJWYXGYBDY-UHFFFAOYSA-N 372.472 4.612 0 40 FJAB CC(C)COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 1775977331 TUTPKABXNJNVGM-MOPGFXCFSA-N 371.864 4.895 0 40 FJAB c1ccc(CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 870467 BCLUUEJXNGBXSC-UHFFFAOYSA-N 352.488 4.510 0 40 FJAB O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cccs1 878083 XGKOQUFLALFNOI-UHFFFAOYSA-N 356.834 4.906 0 40 FJAB O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(Cl)cc1 991664 YLFSZMBJIXWCCI-UHFFFAOYSA-N 351.789 4.812 0 40 FJAB Cc1nn(-c2ccccc2)c2c1c(=O)n(-c1ccccc1)c1ccccc21 1089861 FLUIJAKWTADPPR-UHFFFAOYSA-N 351.409 4.638 0 40 FJAB biogenic Cc1ccc([C@@H](CC(=O)NCc2ccccc2)c2ccccc2)c(O)c1C 2292966 FOQBHBHJFKAQTJ-QFIPXVFZSA-N 359.469 4.847 0 40 FJAB CCCCNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 2296287 DQLZIDDWDQMJTP-UHFFFAOYSA-N 356.495 4.611 0 40 FJAB CCOc1ccc2nc(NC(=O)c3ccc(N(CC)CC)cc3)sc2c1 4064067 LZVKWUYAKCSLQU-UHFFFAOYSA-N 369.490 4.794 0 40 FJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)s1 4070190 VRZCXCUWIOHDFG-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3)cc1 4193018 IAGFIKSZUCSGOD-UHFFFAOYSA-N 360.413 4.837 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)c3cccc(Cl)c3)nc12 5256562 YSFDRUIVLJMSCT-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 5374092 CRGQLPFKJKLEJP-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCCCC1 5450632 FRNPSEGBBXQWFB-SFHVURJKSA-N 362.395 4.871 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 5528746 ZFDGFKNFYHETRQ-MRXNPFEDSA-N 357.881 4.589 0 40 FJAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 6315632 XOMLXDRVWBHLAW-UHFFFAOYSA-N 357.475 4.738 0 40 FJAB COc1ccc(CC(=O)OC2c3ccccc3-c3ccccc32)cc1OC 6424343 KCMQIKLYBFLZQN-UHFFFAOYSA-N 360.409 4.560 0 40 FJAB c1cncc([C@@H]2CCCCN2CCCCOc2ccc3c(c2)CCC3)c1 6624602 NCVHXFHVRZRTLC-QHCPKHFHSA-N 350.506 4.957 0 40 FJAB biogenic CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OC 6957993 DTHXYZDAACPSJR-UHFFFAOYSA-N 354.219 4.608 0 40 FJAB C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C(C)(C)C)cc1 6958621 NHGYSOPWCVUWHZ-CYBMUJFWSA-N 356.491 4.760 0 40 FJAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1c1ccccc1 7088083 QBSCSBHEOQUSHT-JOCHJYFZSA-N 366.424 4.643 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnc3ccccc3n2)cc1 7364100 CIHNRJMBXDPHIO-QFIPXVFZSA-N 366.424 4.709 0 40 FJAB CCc1ccccc1NC(=O)c1ccccc1OCc1csc(C)n1 7921884 ZVWFQJIZMUQQRN-UHFFFAOYSA-N 352.459 4.845 0 40 FJAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c(C)c1 7922288 LSFIEFQUMBEJGN-INIZCTEOSA-N 367.518 4.853 0 40 FJAB Cc1cc(NC(=O)[C@@H](Sc2nc3ccccc3o2)c2ccccc2)no1 8327755 NBOQQQLXFQAKEL-KRWDZBQOSA-N 365.414 4.596 0 40 FJAB COc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(Cl)c1OC(C)C 9515289 ZQHHBETYYABTBK-UHFFFAOYSA-N 361.825 4.591 0 40 FJAB CC1CCN(c2nc3c(c(Nc4ccccc4)n2)C(=O)CC(C)(C)C3)CC1 10339433 OUIKDDATAKNEJE-UHFFFAOYSA-N 364.493 4.612 0 40 FJAB c1coc(-c2cc(CSc3nc(NC4CC4)c4ccccc4n3)no2)c1 11353236 UOXZEMPKSHHETG-UHFFFAOYSA-N 364.430 4.744 0 40 FJAB O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(Cl)c(Cl)c1 12422254 DCDDLQJSDCEPLC-UHFFFAOYSA-N 353.230 4.891 0 40 FJAB CCOc1cccc2cc(-c3nc(-c4ccccc4Cl)no3)c(=O)oc12 12879993 NKWKTCKIRRREPP-UHFFFAOYSA-N 368.776 4.562 0 40 FJAB CC(=O)c1ccc(NC(=S)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 13684978 LBGKJBUIWBSGDT-OAHLLOKOSA-N 352.503 4.887 0 40 FJAB CCC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 14857279 LAIQFCUTRMQKHX-OAHLLOKOSA-N 353.491 4.578 0 40 FJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cc2)cc1OCC 16317271 YEZPJAKFJIOAIV-OAHLLOKOSA-N 358.507 4.840 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2cnn(C3CCCCC3)c2)cc1OC 19658049 YLPSMKBJTDRUJL-FQEVSTJZSA-N 369.509 4.743 0 40 FJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1Cc2ccccc2O1 21598867 FASHDMUNQVBLFT-LJQANCHMSA-N 372.449 4.906 0 40 FJAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@@H]1c1nc2ccccc2s1 25049081 UBSUQCQXAOSYLX-QGZVFWFLSA-N 365.433 4.894 0 40 FJAB Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1cccc(Cl)c1 35288566 UIQUIXCCPMEIMP-UHFFFAOYSA-N 370.884 4.734 0 40 FJAB Cc1ccc(OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C)c1 36397273 ICPUFKMJZSPOKU-UHFFFAOYSA-N 351.450 4.972 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)Oc3cccc(NC(C)=O)c3)ccc2c1 39969518 ATYGTEYUBZWGJA-AWEZNQCLSA-N 363.413 4.516 0 40 FJAB CCCCc1nc(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cs1 48056767 IFEWWOQXTXUOMC-UHFFFAOYSA-N 372.534 4.589 0 40 FJAB Cc1nc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)oc1C 48325824 AIEVOAHDHGBZHY-UHFFFAOYSA-N 371.820 4.881 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc2ccc(Cl)cc2o1 69613843 NDWVJDQPFJKSFW-LBPRGKRZSA-N 360.866 4.793 0 40 FJAB COc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348929 QANGOWXZUMBYFP-LJQANCHMSA-N 359.473 4.532 0 40 FJAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1nc(C2CCCCC2)no1 74908379 ZDISUJHABNKXGV-GJZGRUSLSA-N 356.470 4.581 0 40 FJAB Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3c[nH]c4c(C)cccc34)[nH]c2c1 78099259 FLMNHWMHPJQNMU-HXUWFJFHSA-N 372.472 4.567 0 40 FJAB Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)c1 78680286 YUEKMVWJRDLVFT-QFIPXVFZSA-N 363.501 4.793 0 40 FJAB O=C(Nc1ccccc1CC(F)(F)F)N(C[C@@H]1CCCO1)C1CCCC1 84502405 KIPNBVGMHWJWFV-INIZCTEOSA-N 370.415 4.747 0 40 FJAB CC[C@@H](C(=O)N1CCC(CSCc2ccco2)CC1)c1ccccc1 85472436 APUPCLNLEYXLRV-HXUWFJFHSA-N 357.519 4.945 0 40 FJAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc2ccc(Cl)cc2s1 96343542 NNJADAKPFVSVOC-GDBMZVCRSA-N 362.926 4.549 0 40 FJAB biogenic O=C(O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 110418669 XNGFJOFJCJAHIX-FNORWQNLSA-N 367.626 4.779 0 40 FJAB CC1(C)C[C@H](NC(=O)CCSCc2ccccc2)c2ccccc2O1 218997544 IEIALSIIAIJGCH-SFHVURJKSA-N 355.503 4.729 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224132713 WJDSNYVXNNJDDU-CYBMUJFWSA-N 351.833 4.998 0 40 FJAB CC[C@@H](C(=O)Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1 224284813 QMPMJTJEWVWWFY-MRXNPFEDSA-N 351.381 4.540 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1cc(C)cc(C)c1 224535468 UXAPDSWZBICILW-UHFFFAOYSA-N 367.489 4.907 0 40 FJAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1 408559678 AWPQNFWXNSHIBJ-VZCXRCSSSA-N 356.878 4.939 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1OC 408681505 WXUCXPMYPZASBL-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CCCc1ccccc1 409122949 COZFFMFNHSFOAL-CPNJWEJPSA-N 362.454 4.837 0 40 FJAB COc1cccc(NC(=O)N[C@@H](C)Cc2csc3ccccc23)c1OC 575619285 CUTVQXPNHBMFLY-ZDUSSCGKSA-N 370.474 4.671 0 40 FJAB Fc1ccc(-c2cnc(Nc3cc(C4CCNCC4)ccn3)s2)c(F)c1 585262918 PQXKREJYBODVHY-UHFFFAOYSA-N 372.444 4.694 0 40 FJAB COc1cccc2c1OC1(CCN(C3CCCCC3)CC1)[C@@H]1CCCO[C@@H]21 1615154060 DBKCQYQPGHPOCO-CTNGQTDRSA-N 371.521 4.723 0 40 FJAB Clc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)c(Cl)c1 632769 RAYABJUINXLZBB-UHFFFAOYSA-N 361.257 4.750 0 40 FJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 780283 KQWZKSUSPIFUCU-IBGZPJMESA-N 350.805 4.817 0 40 FJAB CCOC(=O)c1nc(Nc2ccc(OCC(C)C)cc2)c2ccccc2n1 956528 BHHCXBUVVQKYNF-UHFFFAOYSA-N 365.433 4.585 0 40 FJAB F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(-c2cn3ccsc3n2)cc1 1509180 NZRWIXVBBGXWOM-NSHDSACASA-N 366.286 4.935 0 40 FJAB CC(C)=CC(=O)O[C@H](CCCc1ccccc1)c1ccc2c(c1)OCO2 1597421 CQLCQJABDJIAOD-LJQANCHMSA-N 352.430 4.989 0 40 FJAB CCN(CC)CCC[C@H](C)Nc1cc(OC)c2nc(C)cc(C)c2c1OC 2028739 POISOEAVOLICSP-INIZCTEOSA-N 373.541 4.791 0 40 FJAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccccc2)cc1 2371617 YAAYRNWARXLNIC-LVXARBLLSA-N 373.433 4.696 0 40 FJAB CCc1ccc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 3329754 SYYLWAFOXFOFRN-UHFFFAOYSA-N 372.635 4.644 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Cl)cc1F 3398443 BBQIXSQHRIDZND-UHFFFAOYSA-N 357.212 4.500 0 40 FJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)c1C 4502052 KUKBSHVJLPOOSH-LPTDTENNSA-N 361.441 4.631 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4540003 ZEXLTRSZOSYDJI-HXUWFJFHSA-N 361.372 4.532 0 40 FJAB Cc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)cc1 4891801 AQCFRBKEPHRJIA-UHFFFAOYSA-N 362.498 4.928 0 40 FJAB Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1C 5121370 RMKAUGVSVNOPLI-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 6507335 UJLZMTCGUXKKPU-UHFFFAOYSA-N 371.849 4.674 0 40 FJAB Cc1cc(C)n(-c2ccc(COC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 6551049 LONHPBAKNCJEJN-UHFFFAOYSA-N 374.362 4.865 0 40 FJAB COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6582989 NNHLIRCMSDHRRY-UHFFFAOYSA-N 354.233 4.800 0 40 FJAB C[C@H](NC(=O)CN1c2ccccc2C[C@H]1C)c1ccc(Cl)cc1Cl 6822678 VMCJTVNOZLEBNU-OLZOCXBDSA-N 363.288 4.622 0 40 FJAB COc1ccc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc1 7136276 QZPYIGTXUBKDTF-ATVHPVEESA-N 361.470 4.936 0 40 FJAB S=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccc(Cl)cc1 7402433 OHHMMPSNGRZSIS-UHFFFAOYSA-N 373.953 4.813 0 40 FJAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1Cl 7878318 YFPRDJZIQOCRTJ-SNVBAGLBSA-N 355.290 4.613 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 7928928 RTHGLKUECQURSR-FUHWJXTLSA-N 365.473 4.775 0 40 FJAB Cc1nc(NCCCn2ccnc2)c2c(-c3ccccc3)c(C)sc2n1 7983076 ZKPIFVUDMHMXFX-UHFFFAOYSA-N 363.490 4.674 0 40 FJAB CN(Cn1nc(C2CC2)n(C)c1=S)C(c1ccccc1)c1ccccc1 12809099 AVSQYWVQRPSFGL-UHFFFAOYSA-N 364.518 4.507 0 40 FJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCCc1ccncc1 13228355 OYHPLCXYSPHVFG-UHFFFAOYSA-N 358.747 4.935 0 40 FJAB O=C(Nc1ccc(Cl)cn1)Nc1ccc(Br)cc1Cl 13320267 DEYUZDWEXHFFOD-UHFFFAOYSA-N 361.026 4.795 0 40 FJAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(Br)cc1 15841851 MTHBTFIRFJRILR-UHFFFAOYSA-N 367.246 4.509 0 40 FJAB Clc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1 19900153 HWDKFWWDICLQDO-UHFFFAOYSA-N 350.893 4.811 0 40 FJAB COc1ccc(-n2nc(Nc3ccc(C)cc3C)c3c2CCCC3=O)cc1 20796770 FRGWKYAYGUACLF-UHFFFAOYSA-N 361.445 4.760 0 40 FJAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1c(Cl)cccc1Cl 23221105 IMQQTRPCEPBQIO-UHFFFAOYSA-N 367.163 4.540 0 40 FJAB CN(Cc1nc(O)c2oc3ccccc3c2n1)[C@H]1CCCc2ccccc21 23701948 GFEGGFNSLXEIBM-KRWDZBQOSA-N 359.429 4.591 0 40 FJAB Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(F)cc3)nc12 27117654 WWHCAPZZWQVNSM-UHFFFAOYSA-N 370.225 4.908 0 40 FJAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 27377453 CCSHYMXFZLEDIY-UHFFFAOYSA-N 370.518 4.502 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Cl)cc2)o1 31676089 HUARSKOBUJOZDP-UHFFFAOYSA-N 367.792 4.932 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2csc(C)n2)c[nH]1 32781365 CCGKDLLSSDYMFC-MRXNPFEDSA-N 357.504 4.658 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc2ccccc2s1 32930678 SHMNAPVYDXDGPF-UHFFFAOYSA-N 350.443 4.811 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(OC(F)F)cc1 40103176 OOBAGLYPCBIWGX-UHFFFAOYSA-N 363.389 4.562 0 40 FJAB Cc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 40104684 LFFXYOQCSRXPPA-UHFFFAOYSA-N 353.466 4.644 0 40 FJAB OCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 44383354 JEVPOYFZJLLZIA-UHFFFAOYSA-N 368.480 4.648 0 40 FJAB Cc1ccc(CN(C(=O)Cc2csc(-c3ccsc3)n2)C2CC2)o1 46284322 ZBQCDWZNSJAUCU-UHFFFAOYSA-N 358.488 4.507 0 40 FJAB O=C(/C=C/c1cc2cc(Br)ccc2o1)NCc1ccccc1 67339420 INJBXQSXLOGYHU-VQHVLOKHSA-N 356.219 4.525 0 40 FJAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2c(C)noc2C)S1 71285724 UTJCULZMIABOCM-INIZCTEOSA-N 360.483 4.975 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 71761585 DARGKFGVZVCZMX-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB Cc1ccc(-c2nc(N[C@@H](C)c3ccccn3)ncc2-c2cnccn2)s1 72340296 JOPLTCDNFSOVML-AWEZNQCLSA-N 374.473 4.539 0 40 FJAB Cc1occc1-c1nnc(SC2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 89544280 ILCOYLYICBDPKA-KBPBESRZSA-N 369.490 4.884 0 40 FJAB CCCOc1ccc([C@@H](C)N[C@H](C)c2nc3c(s2)CCC3)cc1OC 95450981 CQRSEBAIKAJALC-ZIAGYGMSSA-N 360.523 4.841 0 40 FJAB CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 102075834 NEYPTZLZXOPDNO-RBUKOAKNSA-N 367.832 4.978 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(Cl)cc1 113970840 AJWZTGVCRRXGFV-KRWDZBQOSA-N 352.261 4.776 0 40 FJAB Nc1nnc(/C=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)o1 216906220 CXBYSNANGKNMRI-FNORWQNLSA-N 362.216 4.708 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219295315 QKZCRHRNSMGVSI-APWZRJJASA-N 367.489 4.743 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(CC)Cc1ccccc1 222620259 FGGBCQFISPNTQL-JOCHJYFZSA-N 351.490 4.772 0 40 FJAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 222965572 RRUILYYUXZDZRX-HNNXBMFYSA-N 357.494 4.815 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C 223469444 AFZWNSJKKWETDI-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225327891 RLAKAXCYGACZIW-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB Fc1cccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225836819 CGYUGHFBKLFHAW-UHFFFAOYSA-N 362.779 4.985 0 40 FJAB Cc1cc(C)c(CC(=O)N2CCc3c(C)cccc32)c(C)c1Br 1545069836 MFJXLRSXVYMUBV-UHFFFAOYSA-N 372.306 4.815 0 40 FJAB CC1=CC[C@H](OC(=O)c2ccc(O)cc2)C(C)=C[C@@H](O)C(C)(C)CCC1 1613892355 JDZBITULCWBIMC-VQTJNVASSA-N 358.478 4.771 0 40 FJAB biogenic CN1CC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 2037844550 WZXKLRBHVBNEKJ-OAHLLOKOSA-N 368.481 4.582 0 40 FJAB Clc1cc(Br)c(I)c2ccccc12 2362804677 HSYUPIJZMKFVOY-UHFFFAOYSA-N 367.411 4.860 0 40 FJAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 704993 ZQLUAKGIYAIRTC-UHFFFAOYSA-N 362.451 4.565 0 40 FJAB O=C(CSc1nnc(C2CCCCC2)o1)Nc1ccccc1Cl 925491 GWOULEAFGGDFFZ-UHFFFAOYSA-N 351.859 4.502 0 40 FJAB FC(F)(F)c1ccnc(SCn2c(=S)sc3ccccc32)n1 1034743 LGQISPDCCZPYKY-UHFFFAOYSA-N 359.423 4.991 0 40 FJAB Cc1cc(C)cc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 1358382 SCBZSGQTNKOYFE-INIZCTEOSA-N 364.518 4.756 0 40 FJAB CC(C)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 2107104 QFGZJDRGKHJCBK-UHFFFAOYSA-N 361.441 4.762 0 40 FJAB biogenic Cc1cc(C)cc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)c1 2917508 JXYRPDZOOHDVAP-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB Cc1sc2nc(SC(F)(F)F)n(-c3ccccc3)c(=O)c2c1C 3296300 DAJFRYFEVRSTCJ-UHFFFAOYSA-N 356.394 4.676 0 40 FJAB OCCCn1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1 4183597 JNDULPZXWIUNCX-VLGSPTGOSA-N 350.896 4.546 0 40 FJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1OC 4849297 STHHSNFQDNGDKG-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(F)cc1)C3 5149993 PFFIYIJJAUKZHF-UHFFFAOYSA-N 353.393 4.631 0 40 FJAB CCc1ccc(-c2n[nH]c(SCCCC(=O)c3ccc(F)cc3)n2)cc1 5180277 UUERTWBZAGNVTO-UHFFFAOYSA-N 369.465 4.928 0 40 FJAB COc1ccc(NC(=O)[C@H]2Cc3ccccc3N(C)c3ccccc32)cc1 5334745 HPGHJTXDKDUMEJ-FQEVSTJZSA-N 358.441 4.742 0 40 FJAB CCc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccnc1)=N2 6844090 JZWKAFUPKPAZAC-UHFFFAOYSA-N 360.848 4.731 0 40 FJAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 6973447 MSZDTKJODQTLHN-UHFFFAOYSA-N 361.832 4.783 0 40 FJAB O=c1[nH]c(CNc2ccc(Cl)cc2)nc2scc(-c3ccccc3)c12 7321820 CULWHCAYASAICD-UHFFFAOYSA-N 367.861 4.917 0 40 FJAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(Br)cc1 7645386 IFFOWXXNNXCLNY-SNVBAGLBSA-N 368.658 4.602 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc3c(c2)OCO3)c2ccccc2)c1 7814399 MFXIXUDQCGWCTA-QFIPXVFZSA-N 374.440 4.824 0 40 FJAB Cc1nc(SCc2c(F)c(F)c(F)c(F)c2F)c2ccccc2n1 7977443 GDFQJHFLSQADKC-UHFFFAOYSA-N 356.319 4.926 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)c(Cl)cc1Cl 9221189 PXZBQGCYBOXNPB-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB COc1cccc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 9377983 JNZSHKFSHSLDFR-GCZGRYASSA-N 352.459 4.538 0 40 FJAB Cc1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)cc1 9450468 JJGBVJVZCGPMDJ-UHFFFAOYSA-N 357.508 4.512 0 40 FJAB O=C(NCc1ccco1)c1cc2sc(Nc3ccccc3)nc2s1 10165458 ISAMMSLBMQHTIF-UHFFFAOYSA-N 355.444 4.624 0 40 FJAB CCc1nc2ccccc2n1CC(=O)Nc1cc(C(C)(C)C)ccc1OC 12539731 SDYCBCHAOKNILH-UHFFFAOYSA-N 365.477 4.544 0 40 FJAB CC[C@@H](C)[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 13008479 PUHANAMFCXHHEL-IIBYNOLFSA-N 350.462 4.582 0 40 FJAB NC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 13717288 NQRBYEGCSCZICO-UHFFFAOYSA-N 361.426 4.620 0 40 FJAB Cc1ccc(Sc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)cc1C 14892427 FHHDEDHFGOQVKA-UHFFFAOYSA-N 370.518 4.555 0 40 FJAB C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccccc2C(=O)O1 15356112 PNESISLTEJRRNW-QHCPKHFHSA-N 373.408 4.589 0 40 FJAB CC[C@H](C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 15390147 QVOHFSPXJOWZJN-LSDHHAIUSA-N 357.450 4.623 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OCC)cc23)cc1 15880464 MIGIPHKYTJVALJ-UHFFFAOYSA-N 367.401 4.569 0 40 FJAB biogenic COc1ccc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 20798186 PJQGVQRIEQPKCA-UHFFFAOYSA-N 351.353 4.976 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(OC)cc1 22532609 ISIWXWQTXJPOMB-HRAATJIYSA-N 363.457 4.883 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC 24274083 FKOSGBQKBNFUNG-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)Nc1cnn(Cc2ccccc2F)c1 28220388 BWZZUAPMUQVJBV-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB COc1ccc(SCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 30855409 GHYZAVIGTZKDPE-HXUWFJFHSA-N 373.518 4.700 0 40 FJAB O=C(c1ccc(CN2CCCCC2)cc1)N1CC=C(c2ccccc2)CC1 30996488 DRULOKBFXBLIAI-UHFFFAOYSA-N 360.501 4.602 0 40 FJAB O=C(Oc1cccc2cccnc12)c1cccc(NC(=O)c2cccs2)c1 32737972 RRSGBSOWOPZHSJ-UHFFFAOYSA-N 374.421 4.768 0 40 FJAB CCOc1cc2c(cc1CSCCC(=O)Nc1ccccc1)O[C@H](C)C2 32778811 FJVZEVXBPARPQI-OAHLLOKOSA-N 371.502 4.671 0 40 FJAB CN(Cc1ccccc1NC(=O)Cc1ccc(F)cc1)C1CCCCC1 32903619 YQSJQNYDJXJRHS-UHFFFAOYSA-N 354.469 4.771 0 40 FJAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccnc2ccccc12 43277843 ZPNUMYXLTAHJNC-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB c1csc([C@@H](CNc2ncnc3c2oc2ccccc23)N2CCCC2)c1 68836730 DBLUETNCWBUBGL-OAHLLOKOSA-N 364.474 4.687 0 40 FJAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC[C@H](c2ccc(F)cc2)C1 206669739 JBTBREYUCLICNB-HNNXBMFYSA-N 369.465 4.687 0 40 FJAB O=C(c1ccc2nccnc2c1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880643 GLTKAHHABVBJSG-KRWDZBQOSA-N 365.864 4.693 0 40 FJAB Cc1cccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 223448033 COHMZVJSMTWYDA-PTGBLXJZSA-N 357.453 4.731 0 40 FJAB CC(C)C(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254507 FVQASZKHMMRZDU-OQLLNIDSSA-N 363.483 4.556 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)c1C 225484725 CCVLODGCHBOKIX-GOSISDBHSA-N 370.518 4.918 0 40 FJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1C 225908287 FXMBLQKZOJTXOW-FQEVSTJZSA-N 350.503 4.883 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC(Oc2ccc(F)cc2)CC1 522332070 WPWXFDSPHGNWHM-UHFFFAOYSA-N 368.235 4.816 0 40 FJAB CC1(C)C[C@@H]2CN(C(=O)C3CCCCC3)CC[C@@H]2N1c1ccc(F)cc1 1615161497 YYLUCCBVUZIYGY-XLIONFOSSA-N 358.501 4.612 0 40 FJAB O=C(Nc1ccc(F)cc1)c1cc(Br)ccc1Br 682481 UUSFHNAZGGZZOP-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Br 817495 HUSULUCNCLIDFZ-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB COc1cccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1 1340338 ILEGGSVSIUUXMA-UHFFFAOYSA-N 358.488 4.600 0 40 FJAB CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(C)=O)cc2c1 1367874 DIDBMCMVJYALTM-UHFFFAOYSA-N 374.893 4.897 0 40 FJAB CSc1nc(Sc2ccccc2)c2cnn(-c3ccccc3)c2n1 1403692 GOTNMVGISTUWKS-UHFFFAOYSA-N 350.472 4.689 0 40 FJAB CC[C@@](C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)P(=O)(OC)OC 2271364 LCPJZDOYJOWETJ-ZDUSSCGKSA-N 369.185 4.727 0 40 FJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1 2312273 VVGBZLVNZUGFBV-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB CCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 3163385 AYADCUHEUBQWEF-IIBYNOLFSA-N 350.462 4.706 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3224959 FITBLQVKFYPSLY-IZZDOVSWSA-N 363.335 4.534 0 40 FJAB O=C(CNc1ccc2ccccc2c1)Nc1ccccc1Br 3305263 VRPJSXYNOLEEJG-UHFFFAOYSA-N 355.235 4.653 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1Br 3429894 ARVYORBJMTYXQN-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB CC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1 4123036 HLCGPUKONWQHJY-UHFFFAOYSA-N 358.869 4.594 0 40 FJAB Cc1ccccc1-c1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 4174516 FUPBQDZJJXQMBA-ZDUSSCGKSA-N 355.488 4.633 0 40 FJAB O=C(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 4678965 BDFHBICZVAVNCD-QFIPXVFZSA-N 357.453 4.528 0 40 FJAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816516 YCIBJLVTTVFHKY-LEWJYISDSA-N 374.488 4.700 0 40 FJAB Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1 4968479 PNSILJRRQITPMD-UHFFFAOYSA-N 367.518 4.772 0 40 FJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccccc1F 5147298 BDYZLQYXCUXDOZ-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB CCCCc1ccc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 5585051 FTRWUPMBMXHDLE-NTEUORMPSA-N 366.480 4.530 0 40 FJAB CCC(=O)Nc1ccc(C2=NN=C(Nc3ccc(C)cc3C)SC2)cc1 5637290 VVMQVLRREOSAJC-UHFFFAOYSA-N 366.490 4.571 0 40 FJAB CCOc1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 6155634 UJXGLIBMHVKFGY-UHFFFAOYSA-N 356.422 4.524 0 40 FJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 6603228 NYCPSXCSIJSOOQ-NRFANRHFSA-N 360.438 4.518 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 7403945 HDFOJFPKUDGJFK-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1 8475432 SLRLCIVIYSFRIS-HNNXBMFYSA-N 370.408 4.578 0 40 FJAB O=C(OCC(F)(F)F)c1ccc(COc2cccc3ccccc23)o1 9724073 XVTRBZAMUXIRDL-UHFFFAOYSA-N 350.292 4.731 0 40 FJAB Cc1ccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 12409684 GWHBMNRRLLBPJG-OAQYLSRUSA-N 372.472 4.662 0 40 FJAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1 12419490 YHKHRIXTVIRUDU-INIZCTEOSA-N 365.454 4.810 0 40 FJAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3ccccc3)co2)cc1 12552096 MTPKVRMOWINWLL-AWEZNQCLSA-N 368.458 4.611 0 40 FJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 12757794 XZOKWQJTOPEUGD-NSHDSACASA-N 362.882 4.549 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)ccc1F 12764078 DSJNLEIFDOVLEZ-UHFFFAOYSA-N 370.380 4.765 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c12 12769769 PFSPNRIVXUUEBF-UHFFFAOYSA-N 362.216 4.968 0 40 FJAB Cc1nc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)cs1 12780859 BCKLGUCBXRKSCO-VIFPVBQESA-N 363.533 4.980 0 40 FJAB CCn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2ccccc2)c1=S 12924588 IRVZBQGXVKNOHQ-IBGZPJMESA-N 364.518 4.896 0 40 FJAB CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CCOC(C)(C)C1 13553140 FGXVWGHEVQCKIM-FQEVSTJZSA-N 351.490 4.625 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(Cl)sc1Cl 14198649 OLOQRVBSTWWOMX-LBPRGKRZSA-N 373.305 4.605 0 40 FJAB COc1ccc(-c2nc(COc3ccc(C(C)=O)cc3)cs2)cc1OC 14215072 WQTOBDJIKCNSBQ-UHFFFAOYSA-N 369.442 4.609 0 40 FJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)cc1OCC 14724697 BKWZAONCEBQVRT-UHFFFAOYSA-N 366.417 4.700 0 40 FJAB CCCOc1ccc(NC(=O)COc2ccc(C)c(C)c2)c2cccnc12 15840987 QLVRTJSJEQSIBE-UHFFFAOYSA-N 364.445 4.658 0 40 FJAB Clc1ccc(COc2ccc(CNC[C@H]3CCCO3)cc2)c(Cl)c1 16401557 KJBRDHLOTFUALU-GOSISDBHSA-N 366.288 4.841 0 40 FJAB CCc1cccc(CC)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 16702138 HCOOPQBHHSLRIA-UHFFFAOYSA-N 357.322 4.688 0 40 FJAB S=C(NCCSc1ccccc1)Nc1cccc(Br)c1 16944422 IQEAFUVCTYNWBD-UHFFFAOYSA-N 367.337 4.528 0 40 FJAB COC(=O)c1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 17123950 SGLHVRKCTMRNBF-UHFFFAOYSA-N 371.396 4.533 0 40 FJAB CC(C)COc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20142089 GCHJBVHKQUDCOK-UHFFFAOYSA-N 365.429 4.726 0 40 FJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc(Cl)c1 20732444 CRQIZVRPWAAMOB-UHFFFAOYSA-N 365.776 4.501 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 22285368 ILTBFHRAJVYHAR-KRWDZBQOSA-N 350.245 4.979 0 40 FJAB CN(Cc1nc2ccccc2n1C/C=C\c1ccccc1)C(=O)c1ccco1 28048254 NWKZRXSONVSQAP-XFFZJAGNSA-N 371.440 4.615 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)Nc1cnn(Cc2cccc(F)c2)c1 28305784 GIKRZBUBEOTRSN-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB Cc1cc(C)cc(NC(=O)c2c(Br)c3ccccc3n2C)c1 32915742 PLUCZHSUZFHHMR-UHFFFAOYSA-N 357.251 4.810 0 40 FJAB O=C(Nc1ccccc1F)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 35291761 KSBOEOXKNWYRDO-UHFFFAOYSA-N 372.831 4.767 0 40 FJAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1-n1nc(C)cc1C 40104888 IHLBQWQURYBVLS-UHFFFAOYSA-N 366.440 4.682 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 48331498 PVXILRIOPCCLLI-UHFFFAOYSA-N 362.838 4.934 0 40 FJAB Clc1cc2c(c(CN3CCC(Cc4ccccc4)CC3)c1)OCOC2 49580952 OAJJWUYIGXBTNS-UHFFFAOYSA-N 357.881 4.661 0 40 FJAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1 55902111 VVAONGFDLNNVBT-UHFFFAOYSA-N 357.624 4.858 0 40 FJAB O=C(c1cc(Cl)ccc1Cl)N(Cc1ccccn1)Cc1ccco1 62018060 SZXGQSZACZGRIZ-UHFFFAOYSA-N 361.228 4.824 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C1 72280560 KUPPQNOCUNXXEO-MRXNPFEDSA-N 371.912 4.894 0 40 FJAB Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(cc12)CCCCCC3 85698564 KAQLLIPASYZOPE-UHFFFAOYSA-N 369.465 4.929 0 40 FJAB Cc1nc(C(C)C)c(-c2nn3c(-c4cccc(F)c4)nnc3s2)s1 95472316 BIKLJLAWTIDZIW-UHFFFAOYSA-N 359.455 4.547 0 40 FJAB CCOc1ccccc1NC(=O)CNc1ccc2nc(C(C)C)sc2c1 95956014 CHGZMVKYJJHSHI-UHFFFAOYSA-N 369.490 4.869 0 40 FJAB O=C1[C@H]2C[C@H](c3ccccc3)CC[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 102616697 TYRSUUSHGPMFIA-OLMNPRSZSA-N 373.374 4.779 0 40 FJAB COc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1Cl 104604688 VZHDTXDEEYZOSW-SKLAPFLYSA-N 354.277 4.865 0 40 FJAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 106745663 NWXZGXXOJBAZKP-ZJQBRPOHSA-N 360.445 4.522 0 40 FJAB CC(C)CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 222830748 LHOSLDJXXRQFLJ-UHFFFAOYSA-N 362.307 4.845 0 40 FJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224152580 AYOAOHJITIIFLC-DLBZAZTESA-N 351.500 4.629 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(C)cc1 225486818 VAHQBEJJWKEHMI-KRWDZBQOSA-N 365.502 4.990 0 40 FJAB CCc1ccc2oc(-c3ccc(N(CC)C(=O)C(F)(F)F)cc3)nc2c1 226284651 YWYAUKBXZCIWEV-UHFFFAOYSA-N 362.351 4.972 0 40 FJAB CC(C)[C@H]1O[C@H]2c3cccc(C(F)(F)F)c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257261307 LGQSGAAELFBEID-MYPMTAMASA-N 372.383 4.679 0 40 FJAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1F 408563340 LNJQZSHTRBPUHV-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409001182 VFBZGHIIHMPIRM-PMVMPFDFSA-N 371.436 4.864 0 40 FJAB CCOC(=O)c1ccc(CSc2ccc(Br)cc2)cc1 409183850 VMVKWDZQKINOLK-UHFFFAOYSA-N 351.265 4.918 0 40 FJAB 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0 40 FJAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1 27824931 OBTURBJRYIFHTQ-UHFFFAOYSA-N 361.850 4.581 0 40 FJAB Cc1cccc(Cn2ccc(NC(=O)Nc3ccccc3C(F)(F)F)n2)c1 27916384 LDCABRUEKQDYSA-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB O=C(CCCc1cccs1)N1CCC(c2c[nH]c3ccccc23)CC1 32876342 MDZZDUNFEKMKHS-UHFFFAOYSA-N 352.503 4.958 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 32942932 IPGUXVBAFWVVCN-OAHLLOKOSA-N 358.869 4.736 0 40 FJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3)o2)cc1C 33646885 PDXQTBRDGYLIBT-UHFFFAOYSA-N 350.443 4.690 0 40 FJAB Cc1cc(N2CCC(C)CC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217008 CDENFXRTJFPFPJ-UHFFFAOYSA-N 354.885 4.903 0 40 FJAB CCSc1nnc(NC(=O)c2ccccc2CCc2ccccc2)s1 40965940 WCPRPMCSHDUHHJ-UHFFFAOYSA-N 369.515 4.688 0 40 FJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 47081078 URXBAFRMRHEZBS-INIZCTEOSA-N 370.518 4.596 0 40 FJAB NC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 51330103 DAPSBYMSZAOQGY-HRQWZESXSA-N 367.399 4.640 0 40 FJAB 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FJAB CCCCCCn1nc(C(=O)Nc2cccc(C)c2)c2ccccc2c1=O 16028734 ASDNAXYZDUHPKA-UHFFFAOYSA-N 363.461 4.538 0 40 FJAB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C1\SC(=S)N=C1O 16406698 SRSYHNDZQQHMCS-WDZFZDKYSA-N 370.286 4.817 0 40 FJAB C[C@@H]1c2ccsc2CCN1Cc1ccccc1OCc1cccnc1 19498372 XEOWFFRWHQLOPF-MRXNPFEDSA-N 350.487 4.841 0 40 FJAB CCn1nc(C)c(CN(Cc2ccccn2)Cc2ccccc2Cl)c1C 19523818 NSWPQCSOBRDRQX-UHFFFAOYSA-N 368.912 4.771 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20138837 OWMZQENPGWKMIK-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB CC(C)[C@@H](NC(=O)CN1CCSC1=O)c1ccc(C2CCCCC2)cc1 29766080 XXZUCEOPBZFMRE-HXUWFJFHSA-N 374.550 4.716 0 40 FJAB O=C(NCc1ccccc1COc1ccccc1)C1(c2ccccc2)CC1 30511146 XFAYORDUGSMMPF-UHFFFAOYSA-N 357.453 4.614 0 40 FJAB CC(=O)c1cc2c(cc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)OCO2 32994750 HHVVDJVFNRQUDX-LJQANCHMSA-N 373.836 4.650 0 40 FJAB Cc1cccc2c1N([C@H](OC(=O)C(C)C)c1ccccc1)C(=O)C2(C)C 38337924 IUCSDBLQFFLVRW-LJQANCHMSA-N 351.446 4.517 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccccn2)cc1 40114652 UJJIFIWTMHCIHU-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB CC(C)(C)c1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 40156991 GNRFRWUHLGKDCW-UHFFFAOYSA-N 355.916 4.610 0 40 FJAB CC(C)Oc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1 44848531 OJMASRWPRNTCBT-UHFFFAOYSA-N 363.910 4.677 0 40 FJAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1C 44856659 VGCMOMGOTUTORB-QHCPKHFHSA-N 364.533 4.783 0 40 FJAB CSc1nccn1-c1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 48261352 UTDJXGTYSFPSBR-KRWDZBQOSA-N 369.515 4.633 0 40 FJAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](C)c1ccccn1 48362887 HXSCVVRRJQZZOM-MNOVXSKESA-N 355.290 4.746 0 40 FJAB CNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1Cl 56693686 LUQOFVCKRUYCHS-QGZVFWFLSA-N 373.884 4.609 0 40 FJAB Cc1ccccc1CNc1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 57775465 IMCOMLWQSGIMDV-UHFFFAOYSA-N 373.435 4.604 0 40 FJAB Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1 72331284 ZSEJJOQFRSPUNC-UHFFFAOYSA-N 363.288 4.573 0 40 FJAB O=C1CCc2cc(NC(=O)c3ccc(-c4ccccc4F)s3)ccc2N1 84514611 LAYFVMMIVILPMD-UHFFFAOYSA-N 366.417 4.691 0 40 FJAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)c1 89469825 HCFSWRWZMKJHOJ-IBGZPJMESA-N 362.454 4.748 0 40 FJAB O=C(Nc1ccc(F)cc1F)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100487327 JFPHNTGGZJNCGH-QQJLWGBUSA-N 370.237 4.637 0 40 FJAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccn1C 101682015 QLTCMICEMXVEGB-OAQYLSRUSA-N 363.461 4.838 0 40 FJAB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)c(Cl)c1 104114542 JDWDJEGAZCIBRO-GFMRDNFCSA-N 366.779 4.710 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1C 222894221 RJKDMPNSYRRCJE-HXUWFJFHSA-N 369.461 4.530 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 223006544 CUMUELIOVZEDIW-KRWDZBQOSA-N 373.500 4.610 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnn(-c2ccccc2)c1 224053472 MQMBLBMZSLYIDC-UHFFFAOYSA-N 355.397 4.917 0 40 FJAB COc1ccc(Cl)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409124143 KKGRVCNTIXMEMV-MHWRWJLKSA-N 365.882 4.965 0 40 FJAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)c(C)cc1Br 604858914 VDQGSZGKUFGRLS-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB COc1ccc(OCCCOc2ccc(Cl)cc2)c(Br)c1 1651912027 RATHMRHZZGXFKG-UHFFFAOYSA-N 371.658 4.959 0 40 FJAB CC(C)c1cccc(C(C)C)c1N1C=[N+]([C@H](CO)c2ccccc2)CC1 1911936407 PRUWRPGEWNOVQQ-JOCHJYFZSA-N 351.514 4.528 0 40 FJAB O=C(CCc1cccc(Cl)c1)NCCc1ccc(-c2ccco2)s1 2087180121 JASQAZGAZSRKRU-UHFFFAOYSA-N 359.878 4.953 0 40 FJAB Cc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2c1 907294 JBQIOTVXVVZXFK-UHFFFAOYSA-N 351.406 4.732 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 993986 UMLNKXUPYBEESH-CYBMUJFWSA-N 357.475 4.610 0 40 FJAB Cc1ccc(-c2noc(COc3ccc(Br)cc3C)n2)cc1 2381675 LVOCLUSGANNAQF-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB CCCCNc1ncc2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 2444528 SCMVKNHPZXOMBS-MRXNPFEDSA-N 351.494 4.899 0 40 FJAB COc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1F 2620301 URPRBSKXJDVCBH-UHFFFAOYSA-N 361.467 4.590 0 40 FJAB COc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(OC)cc1Cl 3338487 BORXQBFNKBBRQS-UHFFFAOYSA-N 358.825 4.708 0 40 FJAB COc1cccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)c1 3359036 FZIONZMOOPWHHS-UHFFFAOYSA-N 359.469 4.576 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)c1 3895815 XKRWOZTYRYOCBF-UPQHMETBSA-N 358.526 4.599 0 40 FJAB Cc1ccccc1-c1nnc(NC(=O)Cc2cccc3ccccc23)s1 4072291 SFPYWQKRJAGVAM-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(F)cc1 4154567 OIWTYKJQPHFRNY-UHFFFAOYSA-N 369.417 4.983 0 40 FJAB Cc1nc(SCc2cc(Cl)cc3c2OCOC3)c2ccccc2n1 4240229 ZUXODZJDQTVYJW-UHFFFAOYSA-N 358.850 4.750 0 40 FJAB CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 4517385 AAPNLYODKCOODP-UHFFFAOYSA-N 368.483 4.987 0 40 FJAB COc1ccc(NC(=S)N2CCC(CCc3cccc(F)c3)CC2)cc1 4709735 BBZMNXVFPBZGAF-UHFFFAOYSA-N 372.509 4.876 0 40 FJAB O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccccc1 4741053 ZXIZOLXOCPUHDR-UHFFFAOYSA-N 366.848 4.970 0 40 FJAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1cccs1 4880642 YYUJNUUQSSGHKR-UHFFFAOYSA-N 374.893 4.547 0 40 FJAB FC(F)(F)c1c2c(nn1-c1nc(-c3ccncc3)cs1)CCCCC2 4915993 OVSMWXIZOYZTQV-UHFFFAOYSA-N 364.396 4.679 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ncnc2ccccc12 5519842 IRCORIWVRRSOJN-RVKKMQEKSA-N 358.507 4.726 0 40 FJAB COc1ccc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6540136 WEGVOWWCVZZIHX-LFPRZYRFSA-N 359.535 4.508 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 6589054 ATPQQTBFRBOYTR-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)c1 6790182 XNHUIDYDFPLDPN-UHFFFAOYSA-N 359.853 4.992 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 6825768 WNIOEIRUSMVFIZ-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB O=C(C[C@@H]1C=CCC1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 6935641 UZAJWICFUWHUQU-IVZQSRNASA-N 368.404 4.833 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H]1CCCc2ccccc21 7989523 OPYLESZRJAJECC-HSZRJFAPSA-N 373.500 4.616 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)c2)cs1 7990851 JXZLCBMYRVIHNX-UHFFFAOYSA-N 372.833 4.753 0 40 FJAB Cc1ccc(C)c(-c2nc(CC(=O)NCc3ccccc3)sc2C)c1 8103235 WURKNWWJCAHCSK-UHFFFAOYSA-N 350.487 4.594 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C12CC3CC(CC(C3)C1)C2 8782717 FIVZSPCDPPRUMK-UHFFFAOYSA-N 353.462 4.883 0 40 FJAB Cc1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 9111989 JWDDQWZAKHCCFD-HXUWFJFHSA-N 354.450 4.675 0 40 FJAB CCOC(=O)c1oc2ccc(NC(=O)c3ccccc3Cl)cc2c1C 9659859 YYVZQJDZQZZKNN-UHFFFAOYSA-N 357.793 4.824 0 40 FJAB biogenic CC(C)c1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)cc1 9709636 BZHCRDHGTXKFGF-UHFFFAOYSA-N 354.841 4.688 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1cc(Cl)cc(Cl)c1 10875423 JXSFLWJXQCNQHP-UHFFFAOYSA-N 353.230 4.640 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1 12778759 QEKNDLQXVJKLBT-INIZCTEOSA-N 356.897 4.817 0 40 FJAB O=C(Nc1nc2c(s1)CCCCC2)c1cc(F)ccc1Br 12781625 BBBCAHQXXRXZBA-UHFFFAOYSA-N 369.259 4.566 0 40 FJAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)c1 13513875 LCRBAABOKXHFHG-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccsc3)no2)cc1 14021410 QVWMTYAPZGTMJR-SFHVURJKSA-N 369.490 4.924 0 40 FJAB Cc1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)o1 21786858 SJBKSNBOGCQTIB-UHFFFAOYSA-N 371.234 4.593 0 40 FJAB COc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 23742226 CUKUDNCJLXQCLF-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB O=C(Nc1cnc2ccccc2c1)c1cnn(-c2ccccc2)c1C1CC1 28509128 UAQDYPQBIJIGNR-UHFFFAOYSA-N 354.413 4.550 0 40 FJAB CCC[C@@H](C)NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423687 SRHHELAVIRUHRW-GFCCVEGCSA-N 352.887 4.533 0 40 FJAB CCCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12 31904035 CXBPJPNJKCOHQG-MRXNPFEDSA-N 361.507 4.582 0 40 FJAB CN(C)[C@@H](CNC(=O)c1sccc1-c1ccccc1)c1cccc(F)c1 32729659 SVZLADIVKNZKAZ-IBGZPJMESA-N 368.477 4.587 0 40 FJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3cc(F)cc(F)c3)c(C)c12 32752676 YXEVTWDRVSUXMD-UHFFFAOYSA-N 359.401 4.716 0 40 FJAB O=C(Nc1ccc(OCc2nc3ccccc3s2)cc1)c1ccco1 32957735 SRFSIHDSDDZUDC-UHFFFAOYSA-N 350.399 4.721 0 40 FJAB CCCCOc1ccc(/C=C2/SC(=O)N(CCCC)C2=O)cc1OC 35042139 IPEYJHFBDMIDRJ-GHRIWEEISA-N 363.479 4.711 0 40 FJAB O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3cccc(Cl)c3)c2N1 35324452 OOWKAHADIYEMIC-HNNXBMFYSA-N 358.228 4.653 0 40 FJAB Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)o2)s1 37149344 XJMKXUWKHKKELM-LBPRGKRZSA-N 373.503 4.790 0 40 FJAB O=C(Nc1nc(-c2ccccc2)ns1)c1cc(F)c(Cl)cc1Cl 40122713 ZXLHFPJKBZXACW-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1C(F)(F)F 48253289 HBONBMCLFPMYDB-UHFFFAOYSA-N 363.364 4.806 0 40 FJAB Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)c(C)c1 48363905 WPNBCTGEZOFAQU-UHFFFAOYSA-N 359.473 4.847 0 40 FJAB Cc1ccc2c(Nc3ccccc3)c(C(=O)N3CCCCCC3)cnc2n1 49004689 LTJLYGYNGJQANY-UHFFFAOYSA-N 360.461 4.698 0 40 FJAB C[C@H]1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 57427729 FMWCJPWJSCACTC-KRWDZBQOSA-N 363.461 4.548 0 40 FJAB COc1c(C)cnc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C 65366051 OWTOSBFTJUOALP-UHFFFAOYSA-N 373.456 4.600 0 40 FJAB CC(=O)N[C@@H](CC(=O)O[C@@H](Cc1ccccc1)C(C)(C)C)c1cccs1 69596392 VNYNZVMVOVDKQG-HKUYNNGSSA-N 373.518 4.516 0 40 FJAB CN(C)c1ccc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)cc1 72404193 NDGDYUOOQCKSQF-UHFFFAOYSA-N 372.428 4.674 0 40 FJAB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102699524 JAKRXWHZLILKLD-KKSFZXQISA-N 374.419 4.791 0 40 FJAB C[C@H](NC(=O)/C=C/c1ccc(SC(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107450078 YTDPRMKIDRNKTG-YIPIRIEHSA-N 351.462 4.955 0 40 FJAB Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCNCC1 115223806 WQOFPZFDXPHYLX-UHFFFAOYSA-N 367.276 4.794 0 40 FJAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928161 GQXZPRCPDHVBKD-JKAFWBDVSA-N 362.554 4.958 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)ccc1Cl 165598125 ROMFCUZUGCCEEQ-UHFFFAOYSA-N 351.833 4.918 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(Cl)cc1)CC(C)(C)O2 222636691 FBMOMVSXSAPRCM-MRXNPFEDSA-N 360.841 4.773 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(Br)c2)cc1 222871822 NTOIEJFRNKJACM-QGZVFWFLSA-N 362.267 4.808 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222959710 AEZAMGZCZLTFBY-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1C 222966528 RFXVMVFPWAPRSM-IBGZPJMESA-N 369.461 4.585 0 40 FJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4c(Cl)cccc4Cl)cn1c23 223094969 IPEMPUMANANACG-JTQLQIEISA-N 373.239 4.678 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1C 223713395 IFHARKPSMGVOCS-GOSISDBHSA-N 369.505 4.563 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccccc1C(C)C 223829349 KYGYXKQNXQBNDD-NRFANRHFSA-N 369.505 4.779 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 224745836 MQHADJPQLBAHGJ-GOSISDBHSA-N 366.505 4.562 0 40 FJAB Fc1cccc(F)c1NC(=S)NCCCSCc1ccccc1 225598028 OJIKMFXLXMRJHQ-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(Br)c1 225621276 AAXJYAJMZJDXLX-OAHLLOKOSA-N 374.322 4.864 0 40 FJAB NC(=O)/C=C/c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244516 VMOOVIBHRGBFJJ-DUXPYHPUSA-N 361.022 4.514 0 40 FJAB CCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1CC 408560676 NFTABROQKLYJNS-UHFFFAOYSA-N 368.506 4.525 0 40 FJAB O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cc2ccccc2c(O)n1 542916931 ZPNIVGPVPCIFTA-UHFFFAOYSA-N 364.420 4.536 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 549100161 PMTKLLLQIGUKHK-WKCHPHFGSA-N 373.500 4.831 0 40 FJAB O=C(CCn1ccnc1)NCc1cccc(Oc2ccc3ccccc3c2)c1 570589961 GDMZKJWVPADYPJ-UHFFFAOYSA-N 371.440 4.535 0 40 FJAB O=C(NC[C@H](c1ccsc1)c1ccco1)NC12CC3CC(CC(C3)C1)C2 618254899 GKATZAJAMHSBLM-DIKOGFFKSA-N 370.518 4.741 0 40 FJAB O=C(CC1CCC2(CC1)CCN(CCc1ccccc1)CC2)N1CCCC1 2055819439 UUJXBHQSZQUOCB-UHFFFAOYSA-N 368.565 4.514 0 40 FJAB O[C@@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc12)[C@H]1CCCCN1 1683266 YVTAGCVIOXWKOW-CTNGQTDRSA-N 352.865 4.731 0 40 FJAB Cc1nc2sc(C(=O)Nc3ccccc3Cl)c(N)c2c2c1CCCC2 2249508 RZVJPBDMBHVWPL-UHFFFAOYSA-N 371.893 4.971 0 40 FJAB Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1C 2432169 UXXNDJLWFZASQM-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB COc1cccc(OCCSc2ncnc3sc4c(c23)CCCC4)c1 3203161 JJBWSIVHHZGKGE-UHFFFAOYSA-N 372.515 4.750 0 40 FJAB CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 4063013 JPQVGYLYCTVWJE-UHFFFAOYSA-N 374.469 4.677 0 40 FJAB CCSc1nnc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)s1 4174688 FJMMRDJNFDTTPY-LLVKDONJSA-N 373.956 4.813 0 40 FJAB Cc1ccc(-c2cnc(SCCNC(=O)c3cc(C)cc(C)c3)[nH]2)cc1 4315407 DHKVDBPCDHBKEA-UHFFFAOYSA-N 365.502 4.524 0 40 FJAB Fc1cccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c1 4776383 XGLCJNZRKMCXGJ-UHFFFAOYSA-N 365.220 4.966 0 40 FJAB COc1ccc(CNc2c(-c3ccccc3O)nc3c(C)cccn23)cc1 4848436 JOQSAOSVAJERAG-UHFFFAOYSA-N 359.429 4.636 0 40 FJAB COc1ccc(CNc2c(-c3ccc(OC)cc3)nc3ccc(C)cn23)cc1 4848451 KOTGGJDPDZVAHP-UHFFFAOYSA-N 373.456 4.939 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCCCC1 5199462 XHVNSMAGHRDHBX-UHFFFAOYSA-N 362.395 4.877 0 40 FJAB O=C(/C=C/c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6602664 OSALSSFWBCCFFH-UJGDBWEASA-N 364.470 4.522 0 40 FJAB CCOc1ccc(-c2nc(COc3ccccc3OC)cs2)cc1OC 6625797 KXQIEDWSADFJOG-UHFFFAOYSA-N 371.458 4.805 0 40 FJAB COc1cc2sc(NC(=O)c3cccc(Cl)c3)nc2cc1Cl 8114169 RRQDQFKIEGJTFA-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 8368589 DSJOTQFOLJTQEO-HZPDHXFCSA-N 353.487 4.631 0 40 FJAB COc1ccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn23)cc1 8715026 DEMICONQFVPTCQ-UHFFFAOYSA-N 364.474 4.826 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)cc1 10326529 XFBQSVZNGCZSOW-UHFFFAOYSA-N 362.395 4.944 0 40 FJAB O=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 10819723 XAKTUAXNOJJLLB-UHFFFAOYSA-N 362.256 4.729 0 40 FJAB CCn1c(C)cc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1C 10841018 UGUODRIAJSVDKK-UHFFFAOYSA-N 358.438 4.894 0 40 FJAB CC(C)c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1C1CC1 10924953 SKXFLFMNKWATKF-GFCCVEGCSA-N 354.479 4.581 0 40 FJAB Cc1ccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)cc1Cl 13086000 XDIPEGNLJBWQCX-UHFFFAOYSA-N 369.804 4.517 0 40 FJAB C[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13494995 JMLODLNZWQRZFO-CYBMUJFWSA-N 367.424 4.664 0 40 FJAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 13552799 POLIIAABYWYIOD-OXQOHEQNSA-N 354.475 4.577 0 40 FJAB O=C(NCCCn1ccc2ccccc21)c1cc(F)c(Cl)cc1Cl 15534811 ZSASVDHFFSGJCW-UHFFFAOYSA-N 365.235 4.907 0 40 FJAB O=C(NCc1ccccc1OC(F)F)c1cc2c(F)cccc2s1 22325950 RYWFGONTWPFIDZ-UHFFFAOYSA-N 351.349 4.572 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(OC)cc1 22532614 ISIWXWQTXJPOMB-KKSFZXQISA-N 363.457 4.883 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)CCC(=O)c1ccc2c(c1)CCC2 23529469 YKHFIJUPBILYDF-UHFFFAOYSA-N 373.855 4.589 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 30864504 ZUDZEEMBHGDPTD-UTKZUKDTSA-N 369.505 4.929 0 40 FJAB O=C(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1ccncc1 32088135 BYDWSLZZJVQXEO-UHFFFAOYSA-N 370.286 4.526 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 44885110 DSSMOXWEKCRHGS-PXNSSMCTSA-N 355.478 4.737 0 40 FJAB Cc1nc(SCC(=O)N2c3ccccc3CCc3ccccc32)oc1C 47559084 VSAJOZNGHBGHLH-UHFFFAOYSA-N 364.470 4.847 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1N1CCOCC1 64335956 JFTISJSADSIEEC-UHFFFAOYSA-N 373.456 4.519 0 40 FJAB CCN(Cc1c(F)cccc1Cl)CC1CCN(c2ccccn2)CC1 72305008 YXIGUHMLPJZVBP-UHFFFAOYSA-N 361.892 4.613 0 40 FJAB Cc1nc2ccc(Br)cc2c(NCCCc2cn[nH]c2C)c1C 78903744 HQVCJVFMPAMFMY-UHFFFAOYSA-N 373.298 4.690 0 40 FJAB CCOc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cn1 89269761 NHPWLPJVTMRMOZ-UHFFFAOYSA-N 365.414 4.602 0 40 FJAB C[C@@H](NCc1ccc(F)cc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96296892 NRCNANTWMNRGDJ-LLVKDONJSA-N 374.799 4.683 0 40 FJAB biogenic,in-vitro Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1 100424411 YJKJUICGTSPQJT-WOJBJXKFSA-N 371.594 5.000 0 40 FJAB COc1ccc2c(c1)[nH]c1c(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ncnc12 101076260 WHCODBIWLXPJFS-YEJXKQKISA-N 350.466 4.525 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O 101464095 TXLNPMJVWKULQQ-NJDAHSKKSA-N 361.485 4.885 0 40 FJAB CC(=O)c1cccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 103130801 WVWXYSKLKDXZJF-KLHDSHLOSA-N 366.288 4.684 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219323700 MWUNGIBOJFYVHL-ROUUACIJSA-N 373.880 4.916 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219360681 YNTJLNRUKKUTJA-NHCUHLMSSA-N 355.478 4.737 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1OCC 225066280 QZGLJFKLKZTGBY-UHFFFAOYSA-N 361.441 4.988 0 40 FJAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cccc3ccccc23)s1 225442477 CVCKGMWEODZDRX-LBPRGKRZSA-N 373.503 4.599 0 40 FJAB CC(C)Oc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cn1 225934723 PQMNHYUTKTYMJH-UHFFFAOYSA-N 360.457 4.814 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)n1 257224477 FBZHGGIGOFZIIC-KRWDZBQOSA-N 367.468 4.779 0 40 FJAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC 408811858 MDCFIGFMUIPMRT-AQTBWJFISA-N 369.442 4.725 0 40 FJAB COc1ccc([C@H]2CCCCCN2Cc2ccc(/C=C/C(=O)O)cc2)cc1 2037873392 GRVNLJWUJPHNAY-RCJYHZQCSA-N 365.473 4.910 0 40 FJAB CCOc1ccc(Nc2ccc(Nc3ccc(OCC)cc3)nn2)cc1 1505023 DUHJFRBFWSHEFC-UHFFFAOYSA-N 350.422 4.761 0 40 FJAB O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)OCc1ccccc1 1713637 DKRWSCHASXIAHU-XWGVYQGASA-N 370.448 4.886 0 40 FJAB CC(C)=CCSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 2409104 PXGMJAKYEUOCPO-ZDUSSCGKSA-N 355.504 4.740 0 40 FJAB O=C(c1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1 3093713 UBWIUUVXYNRXIT-UHFFFAOYSA-N 358.279 4.544 0 40 FJAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 4033298 JSHVPKPLPXUHBW-GOSISDBHSA-N 361.489 4.974 0 40 FJAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 4372497 LEANRCCSPXJZNO-SIKLNZKXSA-N 366.436 4.655 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2cc(C)ccc2C)o1 4479512 ZONHLVNMGDKQPG-UHFFFAOYSA-N 373.412 4.768 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 4945059 JDDGFHPNKATNTA-UHFFFAOYSA-N 366.442 4.651 0 40 FJAB COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c(OC)c1 5550095 AWBNBDDDDUDOAT-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB Cc1cc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2cc1C 5562556 ZRLNLUMLJFMMAB-UHFFFAOYSA-N 361.485 4.865 0 40 FJAB biogenic Cc1ccc2nc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1 6279414 OUDQEBISSJXPSS-UHFFFAOYSA-N 358.291 4.553 0 40 FJAB CC1(C)CC(=O)c2sc(NC(=O)c3cccc4ccccc34)nc2C1 6307845 DOWXNNBJCRMLGG-UHFFFAOYSA-N 350.443 4.704 0 40 FJAB CCN(CC)c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6629983 OHTIQICTKARIFJ-BIXZQSIESA-N 359.539 4.622 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(C)c(C)c3)C(C)C)n2)cc1 6737003 ZYMYJTIZRKVVRJ-UHFFFAOYSA-N 363.461 4.713 0 40 FJAB COc1ccccc1-c1noc(COc2ccc(Cl)c3cccnc23)n1 6880939 OUULIDRHLSEIRF-UHFFFAOYSA-N 367.792 4.526 0 40 FJAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(F)cc1 7596660 PJGFKKZUMQFZHU-UHFFFAOYSA-N 373.815 4.580 0 40 FJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 8287320 BZLMUPJBXMJFMJ-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)c(Cl)c1 9750869 QQCXTGJUQOEDBC-OAHLLOKOSA-N 368.264 4.545 0 40 FJAB Cc1ccn2c(=O)cc(CSCc3ccc(Cl)c(Cl)c3)nc2c1 9885265 GVIIFBOSPFFCHO-UHFFFAOYSA-N 365.285 4.743 0 40 FJAB Oc1ccc(C2=CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 12929882 VCTRPNYFBOMOIP-UHFFFAOYSA-N 354.759 4.753 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1OC(F)(F)F 14016345 COHMMDJOMNLMNF-UHFFFAOYSA-N 362.307 4.801 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)cc1C 15842352 UWAPBFVRFIGCSA-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)c(OC)cc1Cl 16201357 FMFBYPZDHFFPLA-HASJVIIQSA-N 361.825 4.726 0 40 FJAB CCc1ccc2c(CN(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc(=O)oc2c1 17524022 YNOZRLSDBVLPBF-LIRRHRJNSA-N 351.446 4.704 0 40 FJAB Cc1ccc(-c2nnc(C3CCN(CCc4ccccc4)CC3)o2)s1 19217825 KMZZZDSELFVDLF-UHFFFAOYSA-N 353.491 4.529 0 40 FJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20142204 CNWQOIFBFSPOMY-OAHLLOKOSA-N 365.429 4.869 0 40 FJAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCCc3ccccc32)cc1 20451775 YTJZOMHMXNIDFF-UHFFFAOYSA-N 370.496 4.912 0 40 FJAB CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21170847 ZEOCEAVEAURTIT-NRFANRHFSA-N 372.553 4.735 0 40 FJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 22526338 JCZZVTGJXIHOEU-CQSZACIVSA-N 373.518 4.948 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 27464572 SDZBIBVLLMYPJY-MRXNPFEDSA-N 366.436 4.551 0 40 FJAB Cc1cccc2c1N[C@H](c1ccc(OCc3ccccc3F)cc1)NC2=O 28923731 IOORBSAVVUQBDY-NRFANRHFSA-N 362.404 4.567 0 40 FJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Cc1ccc(Cl)cc1 32609738 WXFGNDMWHWYMDY-UHFFFAOYSA-N 371.843 4.522 0 40 FJAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1 33854562 MHDSTSRDXVXPTJ-GOSISDBHSA-N 372.490 4.633 0 40 FJAB COc1cccc(-c2csc(-c3nnn(-c4ccc(C)cc4)c3C)n2)c1 38651792 LCQVSSJYHJHKBQ-UHFFFAOYSA-N 362.458 4.683 0 40 FJAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 39768111 UMZHKGJLFZURTE-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB COc1cccc(CN[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 40161245 CNZNUXCPJLYEFO-QHCPKHFHSA-N 374.484 4.782 0 40 FJAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C)c1Cl 41095059 LHWUEGMFVAZAFG-UHFFFAOYSA-N 350.311 4.645 0 40 FJAB CCOc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 46913965 CFFCBYXEUJRNCU-UHFFFAOYSA-N 366.808 4.846 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Cl)cc2C)cc1 55529386 HTPIZVRUWJEZEY-UHFFFAOYSA-N 372.881 4.517 0 40 FJAB Cc1ccc(-c2nn(CN3CCc4sccc4[C@@H]3C)c(=S)[nH]2)cc1 57449884 PPPBUYOORTWNJO-ZDUSSCGKSA-N 356.520 4.554 0 40 FJAB CCCC(C)(C)NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 65041968 WXFURJRPPIQDEK-UHFFFAOYSA-N 366.914 4.992 0 40 FJAB Clc1ccccc1CN1CCC[C@H](c2nnc(-c3cccs3)o2)C1 72390075 LJYBXIGTMOEAPK-AWEZNQCLSA-N 359.882 4.831 0 40 FJAB CCN1C/C(=C/c2cc(C)ccc2C)c2nc3ccccc3c(C(=O)O)c2C1 97993221 RUULSDMCHRMINI-PDGQHHTCSA-N 372.468 4.926 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CCCc2ccccc21 113970569 IAZWKXJQZGXEFR-PMACEKPBSA-N 357.881 5.000 0 40 FJAB Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](c1ncccc1C)C(C)C)CCC2 115841451 DYCGJDBGFPLMLX-DLBZAZTESA-N 372.538 4.571 0 40 FJAB CCOc1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2F)CC1 219141171 MENKXOSKVQUJGW-LJQANCHMSA-N 374.481 4.937 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1cc(C)cc(C)c1 224197098 DODDUPKINSDKES-UHFFFAOYSA-N 367.489 4.907 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408678226 DFZKYJYSIYUURC-HXUWFJFHSA-N 359.469 4.991 0 40 FJAB Cc1ccc(CSCC(=O)NCCSCc2ccccc2C)cc1 409028616 QIEKZGLEOJSHSI-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB Cc1ccc(C)c(-n2ncc([C@H](C)NCc3cn4c(C)cccc4n3)c2C)c1 539084061 DAGOKVYNCAOCAK-SFHVURJKSA-N 373.504 4.604 0 40 FJAB O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCCN(C2CCCCC2)CC1 585282118 XYCXQULBTLTYPH-IBGZPJMESA-N 372.336 4.922 0 40 FJAB Cc1cc(C)cc(NC(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)c1 670929 LOFPMFCTJLYLLB-UHFFFAOYSA-N 373.456 4.820 0 40 FJAB COc1ccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1 856375 RMJIQQBZJZQWTO-UHFFFAOYSA-N 364.474 4.826 0 40 FJAB Clc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 868694 CENQLYLPAGJSNA-UHFFFAOYSA-N 352.850 4.761 0 40 FJAB O=C(C1CCC1)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 1345590 VCOKUJUWRMBTPL-UHFFFAOYSA-N 361.898 4.934 0 40 FJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2s1 1438315 GFWJZSQZVWUJEU-CMPLNLGQSA-N 354.928 4.737 0 40 FJAB COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)cc1 1453056 SOWUEVAHMLKQDY-MRXNPFEDSA-N 354.258 4.781 0 40 FJAB CC1(C)C[C@H](CNCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 1817165 VFBQBALYJXPYLA-AUSIDOKSSA-N 359.554 4.698 0 40 FJAB biogenic CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)cc1 2751603 ADDHTLSQUNSMNN-UHFFFAOYSA-N 350.418 4.803 0 40 FJAB COc1ccccc1CNC(=O)CSc1cccc2cccc(Cl)c12 3332670 UZBYSJUYPITJSL-UHFFFAOYSA-N 371.889 4.910 0 40 FJAB COc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 3342921 AZHVBBDEYATTAY-AWEZNQCLSA-N 367.474 4.716 0 40 FJAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)N1c1ccc(C)cc1 3765496 FACLDCXHBHMMFQ-HSZRJFAPSA-N 355.441 4.923 0 40 FJAB CCC[C@@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C 4100018 XVMYIMXBHZVAHC-AZIXLERZSA-N 369.505 4.647 0 40 FJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](CO)[C@H](C(C)C)C[C@@H]3CC[C@@H]12 5084825 RIFVPADJXHOIQV-IUOZABMSSA-N 350.543 4.673 0 40 FJAB Cc1ccc(CSc2nnc(-c3cc(Cl)ccc3Cl)n2N)cc1 5245298 HBJJPYJXHOSNJD-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB CCCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O 5398390 HVXLOWYKRWHNLT-UHFFFAOYSA-N 370.832 4.969 0 40 FJAB biogenic Cc1ccccc1C1=Nn2c(nnc2-c2ccc(C(C)(C)C)cc2)SC1 5577071 HMEQSRGQPWROGR-UHFFFAOYSA-N 362.502 4.909 0 40 FJAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 5666747 BXYWVWRFRRPIGO-HNNXBMFYSA-N 374.436 4.765 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 5705598 IJFPCTVARKTECZ-UHFFFAOYSA-N 365.404 4.813 0 40 FJAB CCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(OC)cc2)n1 5826169 SOZFKJDGMCKOHG-UHFFFAOYSA-N 373.456 4.922 0 40 FJAB biogenic CC(C)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl 6284450 APUSWRGETLVUSP-UHFFFAOYSA-N 352.261 4.812 0 40 FJAB COC(=O)c1cn(C(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc12 6313355 FUDLLRLPVCCHTH-UHFFFAOYSA-N 371.820 4.579 0 40 FJAB O=C(/C=C/c1cc(Br)ccc1O)c1ccc(OC(F)F)cc1 6321861 IEUYIXZBMCIQAL-XVNBXDOJSA-N 369.161 4.652 0 40 FJAB Fc1cc(Br)ccc1Nc1ncnc2sc3c(c12)CCC3 6561517 YYHRIMKYUPVLBD-UHFFFAOYSA-N 364.243 4.825 0 40 FJAB CCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)c2ccccc21 6953650 NQPIEQSKENPOCU-LDADJPATSA-N 351.446 4.637 0 40 FJAB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)O 6959520 ONRRSMKHGLGJAK-UFFVCSGVSA-N 361.825 4.570 0 40 FJAB Cc1cc(Br)c(NC(=O)Cn2c(C)cc3ccccc32)cc1C 6961425 WZZUAEPJJDKISV-UHFFFAOYSA-N 371.278 4.968 0 40 FJAB Cc1cc(C)cc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 7739128 QKWOBSRDOOTJLM-OAQYLSRUSA-N 351.471 4.650 0 40 FJAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1F 7886533 WFPJZMRFEBXVSR-MRXNPFEDSA-N 363.230 4.565 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccccc3)cccc2c1=O 8183624 UOYWKTRWBCVVRX-UHFFFAOYSA-N 369.420 4.698 0 40 FJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 10964784 DXETVASZDOLYSX-UHFFFAOYSA-N 374.318 4.803 0 40 FJAB Cc1ccc(CN(C(=O)COc2c(C)cccc2C)c2ccccn2)cc1 11914870 GSQWPGUNZUMGHV-UHFFFAOYSA-N 360.457 4.619 0 40 FJAB Cc1ccc(C(=O)CCNc2ccc(C(=O)NCc3ccccc3)cc2)cc1 12447589 DEOODKNENVAHFG-UHFFFAOYSA-N 372.468 4.610 0 40 FJAB CC(C)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl 12507890 SWUUOYCLPUNYAM-UHFFFAOYSA-N 350.292 4.979 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12941578 FKSILCNWFXWURO-UHFFFAOYSA-N 371.396 4.587 0 40 FJAB C[C@@H](Oc1ccccc1)c1nn2c(-c3ccc(F)c(Cl)c3)nnc2s1 13736037 JUJOMSKVDVTXGI-SNVBAGLBSA-N 374.828 4.785 0 40 FJAB FC(F)(F)c1cc(NC(=S)NCCc2ccccc2)ccc1Cl 13934144 PPUJCMIZEYPVGT-UHFFFAOYSA-N 358.816 4.888 0 40 FJAB Cc1c(Cl)c(CN(C)Cc2ccc3c(c2)OCO3)nc2ccccc12 14124638 ZHKUDTXLMRMEBD-UHFFFAOYSA-N 354.837 4.557 0 40 FJAB CCCc1nnc2sc(-c3cccc4c(Br)cccc34)nn12 15423451 LRRWAKDKJYVQQL-UHFFFAOYSA-N 373.279 4.721 0 40 FJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(C)c(C)c1)=C2 15838666 JBWBJKJKMXEDJE-UHFFFAOYSA-N 355.821 4.894 0 40 FJAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 17154621 RNDVWVZBNKVGKT-UHFFFAOYSA-N 350.890 4.635 0 40 FJAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 17198193 DZTOTINEAQLNFO-QGZVFWFLSA-N 367.392 4.883 0 40 FJAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC 20110541 VTZDJXNLVHCCCA-HZPDHXFCSA-N 373.518 4.679 0 40 FJAB CC1(C)CC(=O)c2nc(-c3ccccc3)n(CC(=O)c3ccccc3)c2C1 20674275 WYEUBHMCZIFEAK-UHFFFAOYSA-N 358.441 4.588 0 40 FJAB COC(=O)c1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc1 20861766 WOMJZYSOJIYCAX-UHFFFAOYSA-N 364.426 4.598 0 40 FJAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 24840697 RDEWTWBXQGYFTP-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccccc2Cl)[nH]n1 24964971 ABIJCJZYEACQOA-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB O=C(NC1CCC(C(F)(F)F)CC1)c1cc(F)c(Cl)cc1Cl 27896029 MRDQKBFASISAQJ-UHFFFAOYSA-N 358.162 4.983 0 40 FJAB Cc1noc(C)c1CCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 31336899 UHMKKFQQFNDENH-NSHDSACASA-N 355.265 4.750 0 40 FJAB Nc1cc(Cl)ccc1NC(=O)c1cc(Br)ccc1Cl 37287606 OSZRGUTYVSWBCV-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cccnc1NCc1ccccc1 40556513 KRWQZIPIKYXJDU-UHFFFAOYSA-N 367.836 4.608 0 40 FJAB Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnc(C(C)(C)C)s3)[nH]c2c1 61228628 YBJLMHXOIMZKJL-OAHLLOKOSA-N 368.506 4.603 0 40 FJAB CNc1nc2c(s1)[C@@H](c1ccccc1OCc1ccccc1)CC(O)=N2 61719312 YLEMBWLGOPVPOP-OAHLLOKOSA-N 365.458 4.887 0 40 FJAB CCN(CC)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72212927 VFHQVEXBSWPTHO-HXUWFJFHSA-N 367.493 4.792 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358000 BUMBNEXIJWZPFG-NRFANRHFSA-N 352.453 4.665 0 40 FJAB CCCOc1ccc(CNC2(c3noc(C)n3)CCCCCC2)cc1OC 97000641 SUTPXLKQGBSSJY-UHFFFAOYSA-N 373.497 4.515 0 40 FJAB c1cc(-c2nc3nc(-c4ccc5c(c4)CCC5)cn3nc2-c2ccoc2)co1 141601052 SJQCKBZATHTESK-UHFFFAOYSA-N 368.396 4.800 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 222976881 LWRXFTCVBVBKJF-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)c1 224223255 PBPBWOYYAXRRBJ-QZTJIDSGSA-N 351.500 4.629 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 225829457 VTPNFJKYRNQAII-VAWYXSNFSA-N 367.499 4.791 0 40 FJAB CCCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C 225904981 VFARGLJIAZDKIL-HXUWFJFHSA-N 350.503 4.739 0 40 FJAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccccc3Cl)oc12 226270608 WNVZTGYHSILPSN-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1F 226287959 WATTVMLQEDDNAO-UHFFFAOYSA-N 360.388 4.547 0 40 FJAB Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)c2c(F)cccc2F)c(C)c1 676721860 NBZMNBCJHLDMNG-OXJNMPFZSA-N 355.432 4.870 0 40 FJAB CO[C@H]1C[C@@H]2CN(C3CCCCC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242888 XQRAASZANCIPSK-WKZKVMAPSA-N 367.537 4.575 0 40 FJAB Cc1ccc(CN2C(=O)[C@H]3CCCN3c3ccc(C(F)(F)F)cc32)cc1 1395278 SDBRNHCGSCSTOM-QGZVFWFLSA-N 360.379 4.529 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1 1838984 DVIRRJJBYBNZPN-UHFFFAOYSA-N 367.228 4.579 0 40 FJAB Cc1cc(C)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)c(O)c1 5343727 OSUYWRIOUBBAAQ-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CCSc1ccc(F)cc1 6083124 NLHWXIVYOFIXID-UHFFFAOYSA-N 353.846 4.917 0 40 FJAB COc1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1O 6169991 ZXKFQYRCBRJWPH-FPYGCLRLSA-N 357.406 4.842 0 40 FJAB Cc1ccc(Oc2c(C(F)(F)F)oc3cc(O)c(C)cc3c2=O)cc1 6199433 NVTYFUJKJPJAGO-UHFFFAOYSA-N 350.292 4.927 0 40 FJAB COc1cc(SC)ccc1C(=O)Nc1ccc(N2CCCCC2)cc1 6249174 IIRQORSKGBHTGZ-UHFFFAOYSA-N 356.491 4.660 0 40 FJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 6553391 ZNBUHYASWSZPNL-UHFFFAOYSA-N 366.442 4.662 0 40 FJAB CCCCOc1ccc(C(=S)N2CCc3ccccc3C2)cc1OC 6651750 KYCOMDVJRAUNQT-UHFFFAOYSA-N 355.503 4.608 0 40 FJAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(-n2ccnc2)cc1 6657712 LRTGSORHGHZERG-SFHVURJKSA-N 359.473 4.562 0 40 FJAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc2cccnc12 6881662 NMSVRPOWSYRZON-UHFFFAOYSA-N 367.380 4.889 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1OC 7688104 KPIBZFIFIVVALK-UHFFFAOYSA-N 367.367 4.684 0 40 FJAB Cc1occc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 7847750 ZVNZQQPYQNRZEY-UHFFFAOYSA-N 365.410 4.574 0 40 FJAB O=C1OCC(c2ccc(Br)s2)=C1c1ccc(Cl)cc1 7988762 JXHFNJKRZFCSAU-UHFFFAOYSA-N 355.640 4.632 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(OC)cc1 8085612 WAKDNPYZEMJQAC-INIZCTEOSA-N 352.862 4.925 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 8097676 QMLWGNYLVJFVQD-UHFFFAOYSA-N 373.499 4.594 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 8489282 IMQFNJDRZGWDQA-SECBINFHSA-N 371.289 4.592 0 40 FJAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)c(C)c1 9074830 LOUCUJSIPGHYIC-UHFFFAOYSA-N 360.396 4.663 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)[nH]2)cc1 9199386 KHALAHHSGQYTIR-UHFFFAOYSA-N 366.490 4.500 0 40 FJAB O=C(CSc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9447682 VKWUULAXRAMHQV-MRXNPFEDSA-N 372.490 4.891 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2ccccc2)C(C)C)c2c1[C@@H](C)CC2=O 11052936 WMWMPWFYUJBNMI-HJPURHCSSA-N 365.473 4.577 0 40 FJAB Cc1cccc(Nc2nnc(SCc3cccc(C(=O)O)c3)s2)c1C 12632881 NPXUZPOMROHAKM-UHFFFAOYSA-N 371.487 4.889 0 40 FJAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 12673080 ZPANNUMIMZUMEQ-FZKQIMNGSA-N 373.294 4.517 0 40 FJAB COc1ccc(-c2cc(CC(=O)Nc3ccc(C(C)C)cc3)no2)cc1 13574307 SIOZFHAZORUHDC-UHFFFAOYSA-N 350.418 4.655 0 40 FJAB Cc1ccc2cc(CN(C(=O)C(C)(C)C)c3ccccc3C)c(=O)[nH]c2c1 13757504 VWPGSXLSPKQVJS-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)cc1 14609517 ZHYQVNBCVHDYNN-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CCCOc1c(Cl)cc(/C=C/C(=O)Nc2cccnc2)cc1OCC 15435860 UXDKFFPUTDSFMJ-BQYQJAHWSA-N 360.841 4.574 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cccc(F)c1 17178257 YWKWXDXHNVRFPC-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB COc1ccc2[nH]c(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)c(C)c2c1 19715072 CHLSYFZSMVXTTN-UHFFFAOYSA-N 374.444 4.540 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 20528693 WVIHBSRXOOTJJA-MRXNPFEDSA-N 369.461 4.783 0 40 FJAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(Cl)c1 21168078 WLJCBEHNWDGYLZ-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB CSc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222441 HYLKUCDLKLDKIU-NRFANRHFSA-N 363.530 4.821 0 40 FJAB COC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@@H]4[C@@H]3CC[C@@H]2C1 27843657 FVIBFMBTKOCWJO-ZRIWILRFSA-N 362.554 4.612 0 40 FJAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2C)c1 32609715 BBHLKLBSZGQXKM-LEWJYISDSA-N 359.473 4.599 0 40 FJAB Cc1ccccc1-n1c(C)nnc1Sc1ncnc2sc(C)c(C)c12 32857540 JJQQRSFLZNOUTO-UHFFFAOYSA-N 367.503 4.657 0 40 FJAB COC(=O)c1c(CCCc2ccc(Cl)cc2Cl)cccc1OC 35973486 RSDUAHVHNXQXAF-UHFFFAOYSA-N 353.245 4.964 0 40 FJAB COc1cc(OC)c(NC(=O)N(C)Cc2cccc(Cl)c2)cc1Cl 40103504 OHQDHSZOPKMCQY-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB Oc1c([C@@H](Nc2ccc(Cl)cn2)c2ccncc2)ccc2cccnc12 46085422 HZXKLEKNBHZFFN-SFHVURJKSA-N 362.820 4.585 0 40 FJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1Cc1ccc(F)cc1 58404814 HERADVGSDBIYBI-OAHLLOKOSA-N 355.438 4.674 0 40 FJAB CCCCNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213654 CAPJYAPRYXWKCM-LJQANCHMSA-N 353.466 4.767 0 40 FJAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1Sc1ccccc1 72217645 GZNYKMKUKVCSPD-UHFFFAOYSA-N 372.490 4.720 0 40 FJAB O=C(NCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 72331420 ASYRNZPXGIBJQP-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB Cc1csc(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)n1 102084111 CSGPVTQEZWMIAQ-RBAVJSINSA-N 369.328 4.514 0 40 FJAB Cc1ccc(C)c(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 102202305 VQZJSWMRRSGOER-HNAYVOBHSA-N 358.894 4.891 0 40 FJAB CCN(C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 104489244 JWPJWGDDEDOKCM-KMQSCTNJSA-N 351.575 4.623 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1C 225469384 DJSXNEFPYDCTTP-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225597455 MACYHVTYEPJZJL-SFHVURJKSA-N 358.526 4.849 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2(C(C)C)CCCC2)cc1Cl 225866772 ULYLJDSHZXOPOG-UHFFFAOYSA-N 368.930 4.772 0 40 FJAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)c2cccnc12 225899298 CEUCVRVHXOCOHK-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C4CCC4)C3)c2)c1 257247945 JBGADUSLPDNBHD-IBGZPJMESA-N 364.489 4.572 0 40 FJAB Cc1nc2ccc(OC(=S)N3C[C@H]4C[C@H]3CC(C)(C)[C@H]4C)cc2nc1C 408734882 GQHAJHQOWZJKBS-MAZHCROVSA-N 369.534 4.667 0 40 FJAB O=C(NCc1cccc(F)c1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728065201 DTUHGJKKYNDARG-KRWDZBQOSA-N 366.358 4.891 0 40 FJAB CCCCCN1C(=O)N(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc21 1889139435 BBCYZBDBEXSENB-UHFFFAOYSA-N 372.490 4.629 0 40 FJAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCC)cc1 939527 GBVPYUKNERXAGV-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB CCc1cc2c(c3c1CCCC3)C[C@]1(Cc3ccc(C(=O)OC)cc3C1)C2 1645352 PPZMRZDTOWEHON-VWLOTQADSA-N 360.497 4.798 0 40 FJAB CCCCCOC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778543 FBNDLBQJAGZOCQ-GFCCVEGCSA-N 364.536 4.642 0 40 FJAB CCOc1ccc(C(=O)Nc2nn(CC)c3nc4c(C)cccc4cc23)cc1 2425683 KKMZXSYCYAEKJZ-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB O=C(c1ccc(CN2CCCCC2)cc1)c1cccc(Br)c1 2514504 UXZNNOKIXLKJBA-UHFFFAOYSA-N 358.279 4.666 0 40 FJAB Cc1c(CN(C)C(=O)c2sc3cccc(Cl)c3c2Cl)cnn1C 2770057 NXGCDMICXAOELK-UHFFFAOYSA-N 368.289 4.522 0 40 FJAB CCOc1ccc2nc(SCC(=O)NC3CCCCCC3)sc2c1 3221739 YWLYWTURWNNMJE-UHFFFAOYSA-N 364.536 4.626 0 40 FJAB O=C(Cc1ccccc1F)Nc1nc(-c2c[nH]c3ccccc23)cs1 3326602 ZVVGULGXVWFESX-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1OCC 3429175 MINDYGYUSXSGAL-CYBMUJFWSA-N 362.470 4.671 0 40 FJAB CCCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 4385040 MMUTWOJXYANTEF-AWEZNQCLSA-N 353.853 4.620 0 40 FJAB CCn1c(SCc2ccccc2Br)nnc1-c1ccco1 4516355 FZJBWJGKLIAIBJ-UHFFFAOYSA-N 364.268 4.613 0 40 FJAB CSc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 4517690 ZYKLROTUAQGSDM-UHFFFAOYSA-N 365.458 4.590 0 40 FJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 4816539 DNEDZFLWIZVVRU-SFTDATJTSA-N 374.488 4.762 0 40 FJAB O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)OCc1ccccc1 4887774 DKRWSCHASXIAHU-QPTUXGOLSA-N 370.448 4.886 0 40 FJAB CCCCCOc1ccc(NC(=O)C(=O)NC[C@@H](CC)CCCC)cc1 5245148 YPKZSCLHIIVSKT-KRWDZBQOSA-N 362.514 4.527 0 40 FJAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1N1CCCCC1=O 5441321 MYERERMDQJDFOC-UHFFFAOYSA-N 366.461 4.551 0 40 FJAB CN(CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccsc1 7926920 MQRNITNGCCSVIR-UHFFFAOYSA-N 368.527 4.970 0 40 FJAB COC(=O)c1c(C)[nH]c(-c2nc(Nc3ccccc3OC)sc2C)c1C 8389488 MIWCYGKSFPMWFP-UHFFFAOYSA-N 371.462 4.602 0 40 FJAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1Cl 9062906 MLPMNTRPGWVMPB-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB C[C@@H]1Cc2cc(/C=C3/SC(Nc4ccc(Cl)cc4)=NC3=O)ccc2O1 10299421 KEFHQVFNWPXVSS-JDAJCMJVSA-N 370.861 4.746 0 40 FJAB CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(F)cc3)no2)cc1 12756420 MWNDXVYWUTUUHW-IBGZPJMESA-N 367.424 4.612 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccc(Cl)cc1 12857737 LAAGOKHCPPZDNL-UHFFFAOYSA-N 368.868 4.806 0 40 FJAB O=C(Cc1ccc(Br)cc1)Nc1ccccc1OC(F)(F)F 13007078 ZUFCAZCRWBOPER-UHFFFAOYSA-N 374.156 4.529 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 14399603 BMSVSGTXBXFSLG-INIZCTEOSA-N 357.881 4.589 0 40 FJAB CCn1ncc2c(C(=O)N(C)C3CCCCC3)cc(-c3ccccc3)nc21 22240062 CUTVWWYZAVDZBT-UHFFFAOYSA-N 362.477 4.523 0 40 FJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@H]1C[C@H]1c1ccccc1 28229400 CSZNQQSXZLZGTP-GOTSBHOMSA-N 367.452 4.827 0 40 FJAB CN(Cc1cccc(NC(=O)CCc2ccccc2)c1)C(=O)OC(C)(C)C 40088400 TWUUACVYXSTZDD-UHFFFAOYSA-N 368.477 4.625 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2ccc(F)c(F)c2)C1 40267958 ONDVSGRGVUKADW-NSHDSACASA-N 361.298 4.552 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@H]2CCCC[C@H]21 45221838 FWRLMIWCWSFFFU-MSOLQXFVSA-N 359.853 4.692 0 40 FJAB CSc1nc2ccc(NC(=O)N3CCc4ccccc4C3)cc2s1 48235648 GVCREPHFPDQUSI-UHFFFAOYSA-N 355.488 4.608 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2cccs2)cc1 57470809 DTCOOPGRQHHQRT-OXQOHEQNSA-N 350.487 4.763 0 40 FJAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCCc3cc(OC(F)F)ccc32)o1 58477575 MVRUMBCOHQCCEC-QGZVFWFLSA-N 373.403 4.747 0 40 FJAB COc1ccc(C2(C(=O)N[C@H](C)c3ccccc3OC)CCCCC2)cc1 65716512 UKMQXAISMHCXJK-QGZVFWFLSA-N 367.489 4.783 0 40 FJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 67207121 VUTBWYJPPNVKHI-UHFFFAOYSA-N 368.820 4.757 0 40 FJAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccc3ncccc3c2)cc1 71287906 LJTOEYBQKLWTKU-PDGQHHTCSA-N 361.426 4.962 0 40 FJAB C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)c1cnc(-c2ccco2)s1 75106188 KVROZQHNZUXEKZ-NWDGAFQWSA-N 356.472 4.933 0 40 FJAB c1ccc(COC[C@H](Nc2ncnc3ccccc23)c2ccccc2)cc1 75145318 HSQWEOMIXUJFNH-QFIPXVFZSA-N 355.441 5.000 0 40 FJAB O=C(/C=C/c1ccnc2ccccc12)Nc1nc(-c2ccc(O)cc2)cs1 79112654 MYHZKVQZWGLJBE-JXMROGBWSA-N 373.437 4.716 0 40 FJAB C[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1cccc2ccccc12 84656397 VGAOYHUOJLBERP-CQSZACIVSA-N 358.397 4.829 0 40 FJAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 89505696 LQNRTWWVKRZKGI-LBPRGKRZSA-N 369.415 4.724 0 40 FJAB Clc1cc(CNC2(c3nc(-c4ccsc4)no3)CCCCC2)ccn1 95451554 GUHRAQUGZCSRIO-UHFFFAOYSA-N 374.897 4.796 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)ccc1Cl 113968991 SKVNCHKQIIPXRH-OAHLLOKOSA-N 361.869 4.519 0 40 FJAB CC[C@@H](C(=O)NCC1(Sc2ccccc2)CCOCC1)c1ccccc1 211071115 DZNSWAHFUYTYOT-HXUWFJFHSA-N 369.530 4.638 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1F)CC(C)(C)O2 222711526 FWOQDQDTUZMEDB-GOSISDBHSA-N 373.493 4.786 0 40 FJAB CCC1(CC)C[C@H](NC(=O)CCc2ccccc2F)c2ccccc2O1 224443937 UAOLWVLSGGWWKC-IBGZPJMESA-N 355.453 4.957 0 40 FJAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc2sc(N)nc12 226311580 XPXBJVRUXCFCGN-UHFFFAOYSA-N 373.481 4.958 0 40 FJAB CCCCNc1ccccc1-c1nc(OC)c2cnn(-c3ccccc3)c2n1 253495554 JFDFIRNPMJBYRB-UHFFFAOYSA-N 373.460 4.703 0 40 FJAB CCn1c2c(s/c1=N\C(=O)c1ccc(Cl)cc1)CCc1ccccc1-2 408560914 FPSQNLUEIJEBGK-XDOYNYLZSA-N 368.889 4.730 0 40 FJAB Cc1ccc(C(=O)Oc2csc(=S)n2C(=O)c2ccc(C)cc2)cc1 777946 LROIGNPBNCBPFI-UHFFFAOYSA-N 369.467 4.804 0 40 FJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1F 1353507 NTFOUBYOKFIZIP-UHFFFAOYSA-N 366.367 4.545 0 40 FJAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Cl)cc1Cl 1507751 YTKJIEOKWXJWLM-VGOFMYFVSA-N 352.604 4.991 0 40 FJAB Clc1ccccc1CSc1nnnn1-c1cccc2ccccc12 2360189 KUZRWEWLMLOXJJ-UHFFFAOYSA-N 352.850 4.761 0 40 FJAB Cc1ccc(C(=O)COc2cccc(-c3cnc4ccccc4n3)c2)cc1 2368681 BTTJGKQNNJSLKV-UHFFFAOYSA-N 354.409 4.867 0 40 FJAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCCC1 2376003 VPNQJSBWBKFMGE-UHFFFAOYSA-N 357.310 4.639 0 40 FJAB Cc1cc(SCC(=O)Nc2ccccc2F)c(C)cc1Br 3410637 MTVPYFWCBYBIIU-UHFFFAOYSA-N 368.271 4.936 0 40 FJAB CC(C)c1ccc(COc2cccc(C(=O)N3COC(C)(C)C3)c2)cc1 4110131 WYHSVOTWILHNJX-UHFFFAOYSA-N 353.462 4.598 0 40 FJAB O=C(Cc1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1 4176318 CIIQDUJUJDFRLR-UHFFFAOYSA-N 351.456 4.601 0 40 FJAB Cc1cccc(Nc2nc(Nc3ccc(C)cc3C)c3cnn(C)c3n2)c1 4272726 ZLSMZRHKAFWHSM-UHFFFAOYSA-N 358.449 4.776 0 40 FJAB Cc1cccn2cc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)nc12 4370822 XUXDHGAZUZLAIV-NTEUORMPSA-N 353.425 4.962 0 40 FJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NC1CCCCC1 4691459 SWBMNQPAWCXBSO-UHFFFAOYSA-N 350.462 4.580 0 40 FJAB CCc1ccc2oc(-c3cc(NC(=O)c4cccnc4)cc(C)c3O)nc2c1 4988464 BCRFKNLILJPMAA-UHFFFAOYSA-N 373.412 4.719 0 40 FJAB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccco1 5205298 NKHKMYUGISHIPA-UHFFFAOYSA-N 365.772 4.959 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5468789 MHIIRUISZBFHSO-HOCLYGCPSA-N 370.880 4.845 0 40 FJAB Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C)oc2ccc(Br)cc12 6201115 LIMLTVNIRUONRU-HZMBPMFUSA-N 350.256 4.812 0 40 FJAB COc1ccc(OCCn2cc(C(=O)C(C)(C)C)c3ccccc32)cc1 6720926 UFCNDEUTRRUKDY-UHFFFAOYSA-N 351.446 4.958 0 40 FJAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 6790597 JDXWLYCMLVXGBK-UHFFFAOYSA-N 359.425 4.964 0 40 FJAB CCOc1ccc(N(CC(=O)c2ccc(C)cc2)C2=NCCCS2)cc1 6870349 NYOJWXZARIBJHS-UHFFFAOYSA-N 368.502 4.576 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)Sc3nc4ccccc4n3C)o2)cc1 6930054 PNBNMHCMTHLFLF-ZDUSSCGKSA-N 350.447 4.785 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(C)C 7360676 XIVGOXROZTYQLT-UHFFFAOYSA-N 373.396 4.638 0 40 FJAB O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 7786298 HTNJCPCTZAOCSQ-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1F 7886534 WFPJZMRFEBXVSR-INIZCTEOSA-N 363.230 4.565 0 40 FJAB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 8903689 VNIWQYBKRXNHMS-DHZHZOJOSA-N 366.442 4.513 0 40 FJAB CC(C)[C@@H]1C[C@](CCNCc2ccccn2)(Cc2ccccc2)CCO1 8993027 BZGWPDMFUVTYRS-GOTSBHOMSA-N 352.522 4.625 0 40 FJAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 10893709 AWIDWMKWPWQWAR-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB CN(CC1CCCCC1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 12546083 BIXMTTSSCAFKQS-UHFFFAOYSA-N 359.473 4.949 0 40 FJAB O=C(Nc1cccc(Br)c1)c1occc1COc1ccccc1 12618187 JYXYSLUKRWXLTP-UHFFFAOYSA-N 372.218 4.873 0 40 FJAB Cc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 12755700 HVCNTRFTORHZLA-ROUUACIJSA-N 362.498 4.971 0 40 FJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13058353 JTJPTVMLUSNTMI-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Oc2ccc(F)cc2)cc1 16180515 TZRWTVLDVGECFP-UHFFFAOYSA-N 374.415 4.958 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CCOCC1 16985280 FXRUQRYCVUPPJF-UHFFFAOYSA-N 371.480 4.641 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Br)cc1 20037371 LTTYEYSBLWMLGL-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB CCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 27775945 AZLJNGKPPZFBLC-ZDUSSCGKSA-N 372.494 4.556 0 40 FJAB O=C(CN(C1=NCCCS1)c1ccc(F)cc1)c1ccc(Cl)cc1 28527475 GLOOUYRENCPJLB-UHFFFAOYSA-N 362.857 4.661 0 40 FJAB O=C(c1cccc(OCc2ccc(F)cc2)c1)N(Cc1ccco1)C1CC1 29269708 VEEAMQULJPDZJG-UHFFFAOYSA-N 365.404 4.803 0 40 FJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCc2ccccc21 32876363 SIXCYYZGVIVHRJ-UHFFFAOYSA-N 352.821 4.517 0 40 FJAB Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)N2CCCCC2)cc1 36293468 UCKKNGANROYYCF-UHFFFAOYSA-N 369.534 4.735 0 40 FJAB O=C(Nc1cccc(OC(F)F)c1)c1cccnc1Nc1cccc(F)c1 53434626 OVJXRAVKYNQITD-UHFFFAOYSA-N 373.334 4.818 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)c2cccs2)cc1F 57508775 ZKHQUIFVUKEQPE-YWZLYKJASA-N 368.477 4.902 0 40 FJAB CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1 67296214 JKGUYDOSJPSESH-BZZOAKBMSA-N 369.424 4.875 0 40 FJAB Cc1csc(-c2ccc(C(=O)N3CCc4sccc4[C@H]3C)cc2)n1 70011145 WMUCNKKVNPZGRK-CYBMUJFWSA-N 354.500 4.940 0 40 FJAB Cc1ccc(C)c(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1 72331285 QZWPSFJWNZZTCH-UHFFFAOYSA-N 363.288 4.573 0 40 FJAB O=S(=O)(NCc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl 222772706 SXTPKPVZFLGJQE-UHFFFAOYSA-N 366.269 4.625 0 40 FJAB Cc1ccccc1CSCC(=O)Nc1ccc(Cc2ccncc2)cc1 223398188 XQBSPSOTZJLVJY-UHFFFAOYSA-N 362.498 4.853 0 40 FJAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1 224083673 DAFRGVJREZNGKE-UHFFFAOYSA-N 361.441 4.513 0 40 FJAB CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C)c(C)c1 224314146 VBQJEMQGMBPWFK-JOCHJYFZSA-N 351.490 4.829 0 40 FJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1cccc2c1CCCC2 224922081 WHTWZFITQZEPIQ-GOSISDBHSA-N 365.517 4.817 0 40 FJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)c(I)c1 225009768 PFJHQKBTBLDMFB-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB CCCCOc1c(I)cc(C(C)(C)C)cc1C=O 225276699 QSBMGONDXRHKDP-UHFFFAOYSA-N 360.235 4.580 0 40 FJAB C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 679216928 GKUZDPBUMJUJBK-RYUDHWBXSA-N 364.371 4.510 0 40 FJAB CC(C)COc1ccc(C(C)(C)C(=O)N2CCCc3occc3C2)cc1 1129443653 QLMABMHVFVYQBL-UHFFFAOYSA-N 355.478 4.567 0 40 FJAB Cc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501040259 IPRQQUTWJKOSAM-UHFFFAOYSA-N 352.488 4.595 0 40 FJAB Brc1ccc(I)c2c1oc1ccccc12 1857790021 BXZMFVJDSDHLNW-UHFFFAOYSA-N 372.987 4.953 0 40 FJAB O=C(NCc1cccc(C(F)(F)F)c1)c1c2c(nc3ccccc13)CCC2 2635638 TXRPESAQCPMNLB-UHFFFAOYSA-N 370.374 4.672 0 40 FJAB C[C@H]1C[C@H](C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 3175737 RBWJBGOTDBXWHA-HOTGVXAUSA-N 365.502 4.719 0 40 FJAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3s2)C1 3232970 VAQFJNZRPHUBGS-GHMZBOCLSA-N 354.928 4.546 0 40 FJAB CCOP(=O)(OCC)OCP(=O)(OCC(C)C)OCC(C)C 4705710 LXMINOODAKYZSR-UHFFFAOYSA-N 360.324 4.680 0 40 FJAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1 4854418 BNDFXLABAZSHKP-HXUWFJFHSA-N 367.399 4.712 0 40 FJAB COc1cccc(-n2c(/C=C/c3ccccc3C)nc3ccccc3c2=O)c1 4899183 KDOGTTWDUUZZCR-CCEZHUSRSA-N 368.436 4.873 0 40 FJAB COc1ccc2[nH]c3c(N4C[C@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c2c1 5645014 QPGPAELKASZCLS-LRTDBIEQSA-N 350.466 4.525 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 6564778 OCHVXUMFGMIACN-NSHDSACASA-N 374.897 4.856 0 40 FJAB O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 6626374 FBKRXZTWJCACPZ-INIZCTEOSA-N 372.877 4.692 0 40 FJAB Cc1nc(-c2ccc(Cn3c(=S)[nH]c4ccccc4c3=O)s2)cs1 7047524 ZDBTVNMUDHEZOH-UHFFFAOYSA-N 371.512 4.601 0 40 FJAB COc1cc(C(C)=O)ccc1OCc1cc(=O)oc2cc(C)c(Cl)cc12 7200879 YIZNFVKSTGESLG-UHFFFAOYSA-N 372.804 4.545 0 40 FJAB C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(C)cc2Cl)N1C 7734792 FFVHUEWAQMHYCT-UHFFFAOYSA-N 371.893 4.924 0 40 FJAB CC[C@@H](C)n1c(SCc2nc3ccccc3o2)nc2ccccc2c1=O 8325547 CUQKWESHTOGIRX-CYBMUJFWSA-N 365.458 4.801 0 40 FJAB COc1ccc(Cl)cc1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8393756 FAXDGFRGUXULPS-UHFFFAOYSA-N 373.836 4.571 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 8903135 CWSLBQXESIIZSK-UHFFFAOYSA-N 372.421 4.645 0 40 FJAB OC(c1nc2ccccc2s1)(c1nc2ccccc2s1)C(F)(F)F 8941306 NBIIKKHUVRMOJP-UHFFFAOYSA-N 366.389 4.704 0 40 FJAB CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063561 PJLKUCWKTWWVOC-UHFFFAOYSA-N 354.469 4.800 0 40 FJAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 10231570 WHBIQKTYSDNREM-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 10279770 FYMBQLWFXWOAQB-IERDGZPVSA-N 368.477 4.524 0 40 FJAB COc1cc(C)c(NC(=O)CCCc2nc3ccccc3s2)cc1OC 11644821 FGHRZCZMGSOQFP-UHFFFAOYSA-N 370.474 4.583 0 40 FJAB O=C(NCc1ccco1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 12563565 SEOPEFTWIZBLPH-CPNJWEJPSA-N 369.367 4.738 0 40 FJAB c1nc(SCc2cn3ccsc3n2)c2c3c(sc2n1)CCCC3 12601592 MXYVEDXSAWVKBN-UHFFFAOYSA-N 358.517 4.572 0 40 FJAB O=C(/C=C/c1c(F)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 12603800 QRWKTQJEIHRKBH-ZGKFYVQTSA-N 369.827 4.732 0 40 FJAB COc1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1 12790595 MDXCGBHCZZPWFW-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB COC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 12791352 WJWFVRKZYFYBQU-UHFFFAOYSA-N 373.767 4.778 0 40 FJAB CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC 12983018 BIBZQAXQKRFUPI-LBPRGKRZSA-N 373.836 4.985 0 40 FJAB Fc1ccccc1CN[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 13562961 HSBAYIHQSCXMDL-NOZRDPDXSA-N 374.503 4.974 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1N1CCCC1=O 16105419 LWYCQTRFGSHUSI-UHFFFAOYSA-N 370.452 4.662 0 40 FJAB CCCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17286261 WDVSFVPJRVJTNT-UHFFFAOYSA-N 358.449 4.689 0 40 FJAB CC(=O)c1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1 19118799 CYPSZHYLGWWEHM-UHFFFAOYSA-N 366.848 4.594 0 40 FJAB Cc1ncc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)s1 19715797 SSUFKWBBKPVXKR-MRXNPFEDSA-N 354.523 4.762 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)cc1F 22237742 WBTSDQLBGPHBSB-UHFFFAOYSA-N 359.401 4.750 0 40 FJAB Cc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cc1-n1cccc1 22613642 GGENAEXNSJUGTM-MRXNPFEDSA-N 373.412 4.754 0 40 FJAB CC1(C)COC2(CCC3=C(CC[C@@H]4C3=CC[C@]3(C)C(=O)CC[C@H]43)C2)OC1 34109735 IJHCQNUMWSPJQN-KNKQGSTJSA-N 356.506 4.962 0 40 FJAB CCOC(=O)c1cccc(Nc2ccnc3ccc(Br)cc23)c1 40175592 KGSRGBKSNVWDAD-UHFFFAOYSA-N 371.234 4.918 0 40 FJAB Cc1ncsc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 46568685 LQGQGXFKIQSCIL-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 52595521 VRGDLHWKLHMCAC-AQTBWJFISA-N 367.474 4.627 0 40 FJAB CCOC(=O)c1c(C)nn(-c2nc3c(Cl)c(Cl)ccc3s2)c1C 57351376 CZRZLBUQESGUTA-UHFFFAOYSA-N 370.261 4.582 0 40 FJAB CCc1nc2cc(NC(=O)c3cccc(OCc4cccnc4)c3)ccc2o1 57995145 ULIMFUXMWJYKCD-UHFFFAOYSA-N 373.412 4.617 0 40 FJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)c3ccccc3)n2)cc1 72357585 LIXKLMDRROOMEV-QHCPKHFHSA-N 356.469 4.958 0 40 FJAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC(C)(C)CC(C)(C)C 75109166 ZJVLXEDUXAZCTJ-UHFFFAOYSA-N 359.514 4.567 0 40 FJAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96118279 LPPYMMHXYSJDTJ-KRWDZBQOSA-N 371.868 4.553 0 40 FJAB COc1cccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194169 LSVSOGCTDNINLR-UHFFFAOYSA-N 362.414 4.583 0 40 FJAB C[C@@H](NC(=O)CN1c2ccccc2C[C@H]1C)c1ccc(Cl)cc1Cl 104750156 VMCJTVNOZLEBNU-CHWSQXEVSA-N 363.288 4.622 0 40 FJAB CC1(C)C[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)c2ccccc2O1 141557003 KWZKBVSWODRABR-HXUWFJFHSA-N 364.489 4.709 0 40 FJAB Cc1ccccc1COc1c(Cl)cc(-c2nnc(N)o2)cc1Cl 216847320 FKZJPJFYWIJSDM-UHFFFAOYSA-N 350.205 4.513 0 40 FJAB Cc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Cl 218924332 SHHXEGMMVQJDBJ-QGZVFWFLSA-N 373.880 4.754 0 40 FJAB CCCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218982896 ZUEXDAUPAZRJCX-LJQANCHMSA-N 369.461 4.516 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1Cl 219059458 AUPJAWIUHRITBS-PBHICJAKSA-N 373.880 4.834 0 40 FJAB Cc1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 219127398 QLKQQIPMLURMSA-UHFFFAOYSA-N 359.469 4.712 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)ccc3OC)N21 222668498 DSCIPMSKNXJGGA-MORSLUCNSA-N 373.909 4.723 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(OC)cc1 222903949 MZRGOWRUKKQEIS-OAQYLSRUSA-N 369.505 4.809 0 40 FJAB COc1cc2c(cc1S(=O)(=O)Nc1ccc3ccccc3c1)CCCC2 223141925 BHSAPALWQVJEKL-UHFFFAOYSA-N 367.470 4.528 0 40 FJAB Cc1ccccc1CSCC(=O)NCCOc1ccccc1C(C)C 223746264 UVHKQWFMZLEMKH-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257275 KEPNJWCPECCEJH-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccccc2)c(C)c1 225481207 DHZZACAKKJLBSV-KRWDZBQOSA-N 356.491 4.609 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 225641222 PVAJOEDQHAOWPS-GFCCVEGCSA-N 352.862 4.541 0 40 FJAB CC1=NCC(=O)Nc2ccc(-c3ccc(OCc4ccccc4)cc3)cc21 1344282153 CINRENKPMZYGOW-UHFFFAOYSA-N 356.425 4.694 0 40 FJAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 849055 GRQHWQXLXJXRIN-UHFFFAOYSA-N 358.869 4.552 0 40 FJAB Cc1ccc2nc(SCC(=O)Nc3nc(C)c(C)s3)c(C)cc2c1 932927 MIAUSNWALVIQTI-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB CCN(Cc1ccccc1)C(=O)c1sc2nc(C)c(Cl)c(C)c2c1N 1080269 BATJYUIBVKVBMC-UHFFFAOYSA-N 373.909 4.811 0 40 FJAB CCc1ccccc1NC(=S)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1358312 FCFAKPAEHBEVDM-MRXNPFEDSA-N 364.518 4.702 0 40 FJAB Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1Cl 1792291 MMEKYQIAGOQGAC-UHFFFAOYSA-N 366.877 4.758 0 40 FJAB O=C(O)CCCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242952 VBOODLAPYQEPDB-UHFFFAOYSA-N 356.262 4.942 0 40 FJAB O=C(NCc1cccc(Br)c1)C1(c2ccccc2)CCCC1 2512708 SXTQZZFBAPILPX-UHFFFAOYSA-N 358.279 4.577 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCCc2ccccc21 3382424 FCWXDDXWCLKWDG-INIZCTEOSA-N 350.245 4.566 0 40 FJAB Cc1[nH]c2cc(-c3ccc(C(C)(C)C)cc3)nn2c(=O)c1Cc1ccccc1 4116370 NOSKQGSEZKRCPH-UHFFFAOYSA-N 371.484 4.886 0 40 FJAB CCc1ccc(N(CC(=O)c2ccccc2)C2=N[C@@H](CC)CS2)cc1 4619585 FMGAPOHJJLWQAD-SFHVURJKSA-N 352.503 4.820 0 40 FJAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 4676531 YOYLALGIHLUVTG-VGOFMYFVSA-N 365.241 4.625 0 40 FJAB O=C(Nc1nonc1-c1ccccc1)c1sc2ccccc2c1Cl 5451787 HIPDHQMDPALJRH-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2Cl)N3)C1 6256297 CVXBKKMAHLCGKW-INIZCTEOSA-N 361.898 4.597 0 40 FJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)ccc1C 6652954 HGIDYZUEOZFQJY-UHFFFAOYSA-N 367.367 4.600 0 40 FJAB CCN(C(=O)COc1ccc(Cl)cc1C)c1nc2c(C)cccc2s1 6788775 MVIKGYSLJRDLNS-UHFFFAOYSA-N 374.893 4.998 0 40 FJAB O=C(CSCc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 7146287 WIILFPLQYDAICF-UHFFFAOYSA-N 365.473 4.965 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc2ncsc2c1 8189959 YMZIYNBXRQWFDT-UHFFFAOYSA-N 351.475 4.929 0 40 FJAB CCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@@H]1c1ccc(C)cc1 8916641 QLMNRCOOOIZOHU-FQEVSTJZSA-N 361.441 4.755 0 40 FJAB c1csc(-c2nnc(Sc3ncnc4c3oc3ccccc34)o2)c1 9153944 SEDZUOUFUSSTPY-UHFFFAOYSA-N 352.400 4.639 0 40 FJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1ccccn1 9938196 KNNWZUAIBHMGDO-UHFFFAOYSA-N 368.502 4.801 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)NCC1(c2ccccc2)CCC1 10323763 MKJOBONISRCUGJ-UHFFFAOYSA-N 358.485 4.632 0 40 FJAB CC(C)(C)c1cc(CCC(=O)NCc2ccccn2)cc(C(C)(C)C)c1O 12609648 DNVYELFRSYJSSB-UHFFFAOYSA-N 368.521 4.631 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(C)c(Cl)c2)cc1Cl 12738630 IZIQHIMZMIXLRE-UHFFFAOYSA-N 365.260 4.832 0 40 FJAB COc1ccc(CCC2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 12872520 LEKWHQMKMXNWRP-UHFFFAOYSA-N 352.478 4.880 0 40 FJAB CSc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 12986987 AIUTXASTJYJWAX-UHFFFAOYSA-N 355.438 4.602 0 40 FJAB O=c1c(C/C=C/c2ccccc2)c(O)ccn1CCc1c[nH]c2ccccc12 13123010 FBVUJAKDGZHOGU-RMKNXTFCSA-N 370.452 4.534 0 40 FJAB CCCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1 14256594 POOVFGHJYLHXJL-UHFFFAOYSA-N 368.296 4.511 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1C 15366678 DADJGKSHNOFURL-GFCCVEGCSA-N 366.230 4.611 0 40 FJAB Cc1ncsc1-c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 19563185 GLTAGTGTTPBSDT-UHFFFAOYSA-N 374.897 4.535 0 40 FJAB Cc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3)nc21 21801129 VLWPHRFRIDROCH-UHFFFAOYSA-N 353.429 4.660 0 40 FJAB O=C(Cc1ccccc1F)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22527420 OOPIOLNBKMUVOH-RVCSHAMNSA-N 371.455 4.782 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCSCc1cccc(C)c1 22528300 CUWFCYKSYUTJAU-UHFFFAOYSA-N 365.498 4.820 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1csc(-c2ccco2)n1 31420366 IVWLQTSEQSKXGB-ZDUSSCGKSA-N 370.499 4.614 0 40 FJAB O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCC[C@@H]1Cc1ccccc1 32786816 RYBYDWBTBDVUBC-CQSZACIVSA-N 350.245 4.546 0 40 FJAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCC(F)(F)F 32794172 RWRXSRQYUDTGRK-MRXNPFEDSA-N 373.827 4.841 0 40 FJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(Cl)c1 33758384 BRCSHOOKVASYCD-OEAKJJBVSA-N 359.816 4.599 0 40 FJAB CCCOc1c(Cl)cc(C(=O)N[C@@H](C)c2cccs2)cc1OC 36339622 XWFWBXOOEJMMDY-NSHDSACASA-N 353.871 4.690 0 40 FJAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 39760121 FLHFZEGRMDWUEG-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3sc(C)nc3C)o2)c1 40051698 PXQMDCSXKKCHIY-LBPRGKRZSA-N 373.503 4.790 0 40 FJAB CCN(CC)Cc1ccccc1CNC(=O)N(C)Cc1cccc(Cl)c1 40069042 LIDDQJRGJBEAQN-UHFFFAOYSA-N 373.928 4.523 0 40 FJAB CCCCc1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 40088713 ALZAZEFNJJDWAK-QGZVFWFLSA-N 358.507 4.594 0 40 FJAB COc1ccc(Cc2nnc(S[C@H]3CCCc4ccccc43)o2)cc1 40114153 CSJWAQNASPXGPR-SFHVURJKSA-N 352.459 4.839 0 40 FJAB Cc1cc([C@H](C)NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c(C)s1 40153956 ZMGUCIJHYNFBPD-LBPRGKRZSA-N 357.504 4.704 0 40 FJAB CCOC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127162 KOEBITUWTGJSAU-UHFFFAOYSA-N 350.201 4.907 0 40 FJAB Cc1nc(C)c([C@H](C)NC(=O)N2CCCCC[C@H]2c2ccncc2)s1 57282947 JWEQERWQADIQNL-YOEHRIQHSA-N 358.511 4.543 0 40 FJAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@H]3CC(C)C)cc1 61717551 UULGMJHCJVKFLQ-GFCCVEGCSA-N 359.447 4.594 0 40 FJAB CCCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 77491864 QSNAAIZTTZXCML-KRWDZBQOSA-N 368.433 4.573 0 40 FJAB CCCC(=O)Nc1cccc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1C 92127706 RWBAPVOYCAHFIM-ICSRJNTNSA-N 365.521 4.981 0 40 FJAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC 96146366 SUERYWVIUNZNEG-UHFFFAOYSA-N 369.509 4.695 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(C)=O)c1 223343374 JSOUUSPZWZJOJG-NRFANRHFSA-N 351.446 4.564 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2ccccc2C)cc1Cl 223563800 BYURYQWUKAGYCN-UHFFFAOYSA-N 363.910 4.710 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225477522 DXYALBQBKKVEHO-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 225575758 ZQDHAWMBKYVYOM-UHFFFAOYSA-N 373.880 4.816 0 40 FJAB COc1ccc(CCCC(=O)Nc2ccc(Br)cc2)c(C)c1 408910403 IDBXBGONMLVADD-UHFFFAOYSA-N 362.267 4.728 0 40 FJAB Cc1nc(SCC(C)C)sc1CC(=O)N(C1CC1)[C@@H](C)C1CC1 1125601725 WIBBCZVPCGVGDH-ZDUSSCGKSA-N 352.569 4.532 0 40 FJAB COC(=O)c1cc2n3ccccc3c(C)c(-c3ccccc3)c-2c1C(=O)OC 643146 TXYUKFXMRKODMT-UHFFFAOYSA-N 373.408 4.593 0 40 FJAB Cc1ccc(C)c(Nc2nc3nonc3nc2Nc2cccc(C)c2C)c1 793487 ADSUIKWZHHALJL-UHFFFAOYSA-N 360.421 4.734 0 40 FJAB CC[C@@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)OC(C)C 952375 LKYKZGJYTQIKNA-DGCLKSJQSA-N 364.536 4.638 0 40 FJAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1 1013596 IUJROOHTVGUIMO-UHFFFAOYSA-N 353.462 4.984 0 40 FJAB CC(C)(C)n1nc(C2CC2)c(Br)c1NC(=O)c1ccccc1 1037310 QHUVPDZAVPAKQQ-UHFFFAOYSA-N 362.271 4.530 0 40 FJAB CC(=O)c1cccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c1 3429757 YBTFENRBGDWZCA-UHFFFAOYSA-N 353.365 4.639 0 40 FJAB Clc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1 3912244 SKUCFBHUKRJHHB-UHFFFAOYSA-N 361.836 4.553 0 40 FJAB CC(C)(C)C(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 5106965 LKDSCZQKBBABIG-UHFFFAOYSA-N 372.371 4.948 0 40 FJAB CCCCCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1 5845584 NHESPHRLXRZYSN-KSSFIOAISA-N 373.522 4.895 0 40 FJAB O=C1C[C@H](c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2s1 6719679 ULYSTVSATAQRQE-CYBMUJFWSA-N 363.417 4.534 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1C 7791632 ZCYMIDIZEVSENI-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 8519053 LTOFBNOWLJQZCA-GFCCVEGCSA-N 371.820 4.545 0 40 FJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(Cl)ccc2o1 9306106 RSBAEABLHUAMBY-LBPRGKRZSA-N 352.821 4.929 0 40 FJAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 10897832 KGQZNRGHSPMALB-IIANPFDCSA-N 364.228 4.577 0 40 FJAB Cc1cc(C)c2nc(N(Cc3ccco3)C(=O)c3cc(C)no3)sc2c1 11693200 CXJAUYGTCIDPJW-UHFFFAOYSA-N 367.430 4.650 0 40 FJAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1Cl 12550439 IESQQNXLPBIMMT-OAHLLOKOSA-N 357.885 4.769 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)cc3C)cs2)cc1 12926644 UBBRSGMZQVSPAZ-UHFFFAOYSA-N 370.449 4.659 0 40 FJAB Cc1ccc(C)c([C@@H](C)NCC(=O)Nc2ccccc2C(F)(F)F)c1 14250042 NXQYFKLRLXZYEK-CQSZACIVSA-N 350.384 4.612 0 40 FJAB Cc1occc1C(=O)OCc1cc(-c2ccc(Cl)cc2Cl)no1 15513875 RTHCWJUDHKLQQJ-UHFFFAOYSA-N 352.173 4.907 0 40 FJAB CC(C)c1ccc(-c2nnc(NC(=O)C3(c4ccccc4)CC3)s2)cc1 15554174 HCIBLCMBUBVFBD-UHFFFAOYSA-N 363.486 4.999 0 40 FJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c1 17073139 MNCNVAIEYOROJE-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 17288898 BQYZMGFWCARNCL-UHFFFAOYSA-N 356.425 4.515 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Cl)c3F)c12 22080829 SAVBLEYTKVJKHR-UHFFFAOYSA-N 371.755 4.836 0 40 FJAB Cc1noc([C@H](C)Sc2ncc(-c3ccc(F)cc3)n2CC(C)C)n1 26560110 JUXSTTWUHKNGCI-LBPRGKRZSA-N 360.458 4.890 0 40 FJAB O=C(Nc1nccs1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29507326 ZZRLHJBVWPWUAH-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB C[C@@H](NC(=O)c1ccccc1Br)c1cccc(OC(F)F)c1 32931097 GWNPGYAONQBAJJ-SNVBAGLBSA-N 370.193 4.542 0 40 FJAB Cc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 36611705 OQOCDIDQHLTFTH-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB COc1cccc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)c1OC(F)F 36728985 UJHSDMXSNXHIBJ-FNDVETGQSA-N 361.388 4.529 0 40 FJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1N1CCCC1 40103764 HFZBMJKARRCJET-AWEZNQCLSA-N 359.420 4.790 0 40 FJAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1)c1ccco1 40154678 YGBMDMZJLSPBSW-QGZVFWFLSA-N 366.442 4.571 0 40 FJAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 40478293 CBPFCDUUDBTCFD-UHFFFAOYSA-N 370.250 4.708 0 40 FJAB CC[C@H](NC(=O)CSc1ncccc1Cl)c1ccc(Cl)cc1 45842077 WQVQQSHFXGNGID-AWEZNQCLSA-N 355.290 4.748 0 40 FJAB Cc1nc(C)c([C@H](C)NC(=O)N(C)Cc2ccccc2C(F)(F)F)s1 56487029 KCDLCUVQOQRDIM-NSHDSACASA-N 371.428 4.681 0 40 FJAB Fc1cccc(-c2cnc(-c3ccncc3)c(CNCc3cccnc3)c2)c1 72343217 PYFCMHGPELFMMC-UHFFFAOYSA-N 370.431 4.635 0 40 FJAB CN(C(=O)OC(C)(C)C)c1cc(Br)cc(C(F)(F)F)c1 95917841 LJEZMMZZPHLYDC-UHFFFAOYSA-N 354.166 4.839 0 40 FJAB CSc1ccc([C@@H](O)CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 96103319 VYVCOEDOJLTTFC-HNNXBMFYSA-N 371.289 4.570 0 40 FJAB O=C(NCc1ccccc1-c1ccsc1)c1ccc(Cn2ccnc2)cc1 96383430 LWEPCPKSWROZPC-UHFFFAOYSA-N 373.481 4.590 0 40 FJAB C[C@H]1CCC(=O)N[C@@H]2C(=O)[C@@]3(C)[C@@H](CC[C@H]13)[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@@H]21 118939790 DVKKOXLBDFKRNO-DGFYCJPJSA-N 371.565 4.739 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219592558 JFTXAQKUXVELOW-OALUTQOASA-N 353.462 4.571 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219608201 KOMZYUIAUVMAJK-MSOLQXFVSA-N 373.880 4.916 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 222838240 XUVAWIUMQQHZEE-RTBURBONSA-N 355.478 4.737 0 40 FJAB CCSc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 224841448 LTKBKQNNBHGLCW-UHFFFAOYSA-N 368.546 4.715 0 40 FJAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCC(C)CC1 225891267 RDPMDIHLEYYGPV-UHFFFAOYSA-N 370.493 4.803 0 40 FJAB COc1cc(CN2[C@H]3CC[C@H]2c2cccnc2C3)ccc1OC1CCCC1 247893398 NLDGMHHMQXCFPE-UWJYYQICSA-N 364.489 4.673 0 40 FJAB COC(=O)c1ccc2c(c1)[C@H]1O[C@@H](c3ccccc3)CC[C@@H]1C(C)(C)O2 257321659 WCPVFYYKPUKCPV-NLWGTHIKSA-N 352.430 4.853 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl 408706062 UJAPDMNHVDFGPM-LFPRZYRFSA-N 361.913 4.809 0 40 FJAB O=C(NCc1ccc2occc2c1)c1cc2cc(Br)ccc2[nH]1 1557409043 KBRZTUHGBRVJJV-UHFFFAOYSA-N 369.218 4.607 0 40 FJAB Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)c1 1615158374 MJLMCIHVBHBURJ-SFTDATJTSA-N 366.480 4.796 0 40 FJAB O=C(c1ccsc1)N1CCS[C@H]1c1ccc(F)c(Br)c1 1775965833 LLYXXXGKJOOEPT-AWEZNQCLSA-N 372.284 4.538 0 40 FJAB COc1ccc(N(C(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 877756 SAAKJNKEOIKZJK-UHFFFAOYSA-N 371.392 4.780 0 40 FJAB O=C1C[C@@H](c2ccc(F)cc2)Sc2nc(-c3ccc(Cl)cc3)nn21 935552 GQLUCTMJQJFVEQ-AWEZNQCLSA-N 359.813 4.615 0 40 FJAB CCN(CC)C(=S)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 948433 FTBLKUPJDYHNJU-SNVBAGLBSA-N 351.566 4.535 0 40 FJAB CC(C)CC[C@]1(CCN2C(=O)c3ccccc3C2=O)CCO[C@@H](C(C)C)C1 2110960 NEILMZQSPHYQKI-OFNKIYASSA-N 371.521 4.930 0 40 FJAB biogenic Cc1ccc(O)c([C@@H](CC(=O)NCCc2ccccc2)c2ccccc2)c1 2210846 INTBRXDAJUGNAN-NRFANRHFSA-N 359.469 4.582 0 40 FJAB C[C@H]1CCc2sc3nc(Cl)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2372524 CMNQGQZXMIPYKM-VIFPVBQESA-N 365.285 4.879 0 40 FJAB Cc1ccccc1NP(=O)(OCC(F)(F)F)OCC(F)(F)F 2593741 BHPYOLBRHPXGJV-UHFFFAOYSA-N 351.183 4.673 0 40 FJAB C[C@@H](NC(=O)COC(=O)c1sc2ccccc2c1Cl)c1ccccc1 3448074 CKTZVVJCOYBAQE-GFCCVEGCSA-N 373.861 4.589 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 3465731 UMGXVNPTPQDPMK-UHFFFAOYSA-N 371.531 4.762 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 3999154 VUUHTGJJJVCBFX-MAIORPNCSA-N 372.509 4.514 0 40 FJAB Cc1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1Cl 4354697 YBIQTNOOHXAECQ-UHFFFAOYSA-N 355.873 4.912 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4699754 LDVCMDJHGCZEQS-LFPRZYRFSA-N 361.913 4.748 0 40 FJAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 5373703 JCSZNQDLROVVER-UHFFFAOYSA-N 350.462 4.536 0 40 FJAB Cc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(F)cc2)cc1 6078702 VPXIHSKSZRAVKE-UHFFFAOYSA-N 372.490 4.710 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(Br)cc1 6449806 LWZLBVHQHHZKGE-ZDUSSCGKSA-N 362.267 4.980 0 40 FJAB Cc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1Br 6571270 RPOMDBPZVVSXMT-IZZDOVSWSA-N 359.267 4.928 0 40 FJAB C[C@H](NC(=O)CN1c2ccccc2C[C@@H]1C)c1ccc(Cl)cc1Cl 6822681 VMCJTVNOZLEBNU-STQMWFEESA-N 363.288 4.622 0 40 FJAB Cc1c(NC(=O)c2ccccc2F)cccc1NC(=O)c1ccccc1F 6921336 FXGJXHSVUMUXBL-UHFFFAOYSA-N 366.367 4.778 0 40 FJAB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)O 6959499 WHQCKIRLBJQFPE-UFFVCSGVSA-N 361.825 4.570 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1OC(F)F 7483418 NDZBJHYHFWYHDM-UHFFFAOYSA-N 357.809 4.813 0 40 FJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(F)cc1 7595037 AGXHBLXTKUMWBU-UHFFFAOYSA-N 373.815 4.580 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC 12773141 SONVIYASQCPNME-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1C(F)(F)F 12802767 XTZYMHLMDYECPA-UHFFFAOYSA-N 350.365 4.587 0 40 FJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)Nc1ccccc1 12919479 IQRYEKNRILAKAT-UHFFFAOYSA-N 358.850 4.867 0 40 FJAB Cc1cnc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)s1 12948120 UUMAYXYPWFYVDU-UHFFFAOYSA-N 360.870 4.666 0 40 FJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(Cl)cc1 12981728 WVZBJQUSPLIRQU-LJQANCHMSA-N 374.868 4.858 0 40 FJAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 17308041 DIPJSPXNWKIBOU-UHFFFAOYSA-N 359.433 4.575 0 40 FJAB CCOc1ccc2nc(N3C(=O)CS[C@H]3c3cccs3)sc2c1 19927534 DMLJYMDAUYOKLL-HNNXBMFYSA-N 362.501 4.535 0 40 FJAB CCCn1ccnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 25059038 VLUAIQMLPYNAIB-MRXNPFEDSA-N 365.502 4.554 0 40 FJAB CCCOc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)c1 28292519 HLTXOENYMDCZLL-UHFFFAOYSA-N 364.420 4.857 0 40 FJAB CC(C)[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(C(C)(C)C)cc1 32744921 IYDKIDLZYDDAEK-IBGZPJMESA-N 367.493 4.602 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1Cl 33626688 HLXGSXCKZUTDDV-UHFFFAOYSA-N 366.848 4.835 0 40 FJAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833813 TVJITKREZZKUPD-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB O=C(/C=C/c1sc2ccccc2c1Cl)Nc1nnc(C2CC2)s1 39980473 GNVDRNVQMXTRJC-BQYQJAHWSA-N 361.879 4.936 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Br 44901754 BWWVLTKKMUYGJG-HNNXBMFYSA-N 368.658 4.899 0 40 FJAB O=C(CSCc1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 48235970 LRKNNFWQYLDKEL-UHFFFAOYSA-N 363.486 4.622 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 59341942 MXFMLGVBZINTHE-UHFFFAOYSA-N 350.462 4.618 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCOc1ccc(Cl)cc1 59475306 NBSVEAPMAHGUJQ-KRXBUXKQSA-N 370.663 4.855 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccccc2Br)C1 89212667 QGHUWIPYGXNQNN-ZDUSSCGKSA-N 369.303 4.508 0 40 FJAB O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1c1ccc(F)cc1 103278079 TYDGTSVTARZEQV-HXUWFJFHSA-N 357.384 4.518 0 40 FJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 108888752 XZOWONVNGBYESD-JCGIZDLHSA-N 352.405 4.788 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1 113970185 JTXYTIFCVYYORN-SFTDATJTSA-N 355.478 4.683 0 40 FJAB Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)OC(C)(C)C)s1 137974585 QUVXAYSRBLGINB-UHFFFAOYSA-N 367.858 4.704 0 40 FJAB CCCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218982832 QDFBRBISIKAKAA-LJQANCHMSA-N 369.461 4.516 0 40 FJAB Cc1cccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 222743029 PLULYESJUSADTD-GOSISDBHSA-N 355.503 4.647 0 40 FJAB CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(OC)c(C)c1 223205343 HWMUGQZUZLOQOO-HXUWFJFHSA-N 355.478 4.739 0 40 FJAB Cc1ccccc1CSCC(=O)NCc1cccc(C(F)(F)F)c1 223220775 IKCPRHFGEUTTAJ-UHFFFAOYSA-N 353.409 4.563 0 40 FJAB Cc1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)cc1Cl 224116770 BKRHEIJWIAFFLR-VQHVLOKHSA-N 350.245 4.510 0 40 FJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1C 225908268 FXMBLQKZOJTXOW-HXUWFJFHSA-N 350.503 4.883 0 40 FJAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CC(C)C)C3)c2)cc1 257324180 WNOFXTDYWPXWCO-QGZVFWFLSA-N 367.493 4.504 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 408703086 MSTCCPRORPCRNV-SCUMNGBJSA-N 355.522 4.836 0 40 FJAB O=C(c1coc(C2CCCC2)n1)N1CCC[C@H](Oc2ccccc2Cl)C1 585079965 YKALUIBMKYKSMP-HNNXBMFYSA-N 374.868 4.669 0 40 FJAB CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2Cl)c1C(=O)OC 799349 UOOJCJBYOXFBKY-UHFFFAOYSA-N 372.273 4.965 0 40 FJAB CCC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12 811916 CNDFZUDHUZFORF-UHFFFAOYSA-N 374.362 4.892 0 40 FJAB CCOc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C)cc1 882869 VOJOHQZVRQRWSL-UHFFFAOYSA-N 366.486 4.981 0 40 FJAB O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc(O)cc1 992782 CKBRGUJEWMUFGY-UHFFFAOYSA-N 365.772 4.639 0 40 FJAB COc1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1 1222374 NAAOVMOIZLSKMH-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CC[C@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 2461044 QGWACIPPDXFALT-LBPRGKRZSA-N 363.460 4.658 0 40 FJAB CCOc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 3448526 KDWJITYRYXCKDW-UHFFFAOYSA-N 373.815 4.624 0 40 FJAB CCOC(=O)/C=C(\C)N1N=C(/C=C/c2ccccc2)C[C@@H]1c1ccccc1 4481425 LBVMKYMCFNYGIK-JDWXWVEOSA-N 360.457 4.970 0 40 FJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Cl)c(Cl)c1 4590029 DUDNOYSNZTWVSV-ZSOIEALJSA-N 352.604 4.991 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H](C)CC)cc3)CC2=O)cc1 4700402 IFIBNNZUZVBRRJ-APWZRJJASA-N 364.489 4.754 0 40 FJAB C[C@H]1CC=CC[C@H]1COC(=O)CCCCC(=O)OC[C@H]1CC=CC[C@H]1C 4783015 FVBFUZKTISMNMG-FGYAAKKASA-N 362.510 4.838 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c2ccccc12 5150596 SJWDQDIIJWKQRB-UHFFFAOYSA-N 355.459 4.656 0 40 FJAB CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 5862274 OTLCPIKENGJDFO-UHFFFAOYSA-N 354.450 4.712 0 40 FJAB CN(C)CCCNc1nc(-c2cccs2)nc2sc3c(c12)CCCC3 6084846 CBTOFTVQIAYUKA-UHFFFAOYSA-N 372.563 4.662 0 40 FJAB CC(=O)c1ccc(O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 7338067 AXBPOZPWOYKAQP-NRFANRHFSA-N 363.388 4.787 0 40 FJAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1 7922229 ICOHHEXEQPZCMC-OAHLLOKOSA-N 353.491 4.545 0 40 FJAB COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)c(OC)c1 8036208 CRKDGJKRCMGECS-UHFFFAOYSA-N 360.457 4.729 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc2ccccc2c1 8127536 QTQKDHFTEHBMNC-UHFFFAOYSA-N 368.864 4.572 0 40 FJAB Fc1ccccc1NC(=S)NCCSCc1ccc(Cl)cc1 8149441 CZMGTDKXAKHCCY-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB Clc1ccc(-c2nc(CSc3nnc4ccccn34)cs2)cc1 8275579 VDASDJUDJHAZFZ-UHFFFAOYSA-N 358.879 4.799 0 40 FJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccccc2C)cc1 8476547 XCKHLXPZQLYRNQ-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 9335782 OIBNMNSSKVFGGJ-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB Cc1csc(N(C(=O)c2cncn2-c2ccccc2)c2ccccc2)n1 9467081 RCBXOEPZLYJAGY-UHFFFAOYSA-N 360.442 4.616 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 10287017 ZRVOQIPRXVSALY-UONOGXRCSA-N 368.433 4.571 0 40 FJAB CC[C@@H](Sc1nnc(-c2cccs2)n1CC)C(=O)Nc1ccccc1 10303250 OZZASFWROSDRBL-CQSZACIVSA-N 372.519 4.536 0 40 FJAB CC1(C)CC(NC(=O)c2sc3ccccc3c2Cl)CC(C)(C)N1 10815452 IMOWMBCFUKZXDC-UHFFFAOYSA-N 350.915 4.594 0 40 FJAB COc1ccc(OC)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 12523850 ZTVZNZYKYSJZDJ-JOCHJYFZSA-N 357.413 4.693 0 40 FJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1)O[C@H](C)C2 12589283 IQTSUDXAIIIGKU-CHWSQXEVSA-N 374.868 4.501 0 40 FJAB O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12598977 RGBZPARAJNBSSB-CYBMUJFWSA-N 363.866 4.540 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 12728022 VTTHCLMSBJZPMJ-HUUCEWRRSA-N 366.383 4.512 0 40 FJAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 13391352 OTRPLFPOEHUQPW-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB c1ccc(CN2CC[C@@H](NCc3cccs3)[C@@H](c3ccccc3)C2)cc1 13562958 UXYJZCLJPYUZCM-DHIUTWEWSA-N 362.542 4.896 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)cc1 14609516 QAWCKQKFZCZRPU-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB O=C1[C@H](C2CCN(C3CCCC3)CC2)CCCCN1CCc1ccccc1 19745020 NDHUHNCELROHBB-QHCPKHFHSA-N 368.565 4.512 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20142038 QJMQBLDQFIVJRC-UHFFFAOYSA-N 365.429 4.726 0 40 FJAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)cc1 20453826 YYRZVJVMNHLRDJ-SFHVURJKSA-N 363.910 4.849 0 40 FJAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2C)c2ccccc2)cc1 20487573 XGBPEAHFVKPGQH-QFIPXVFZSA-N 365.498 4.512 0 40 FJAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nncs3)cc2)cc1 21214177 QJMAQKYZSUBDLT-UHFFFAOYSA-N 367.474 4.667 0 40 FJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)c3ccccc3)c12 22836511 FHVVWTLQMWLJLK-UHFFFAOYSA-N 361.376 4.614 0 40 FJAB Cc1cccc(N(Cc2ccc(Cl)cc2Cl)C2=NC(=O)CS2)c1 24838973 YSIYDCBOAPYKSK-UHFFFAOYSA-N 365.285 4.938 0 40 FJAB Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2 25283615 PKIFDWDFPMKSPO-FQEVSTJZSA-N 372.468 4.556 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2cc(C)ccc2C)cc1 28527064 MYORQHQYNVNSMS-UHFFFAOYSA-N 364.489 4.974 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc[nH]2)cs1 29353013 QOBZEFVUCCFTJZ-JTQLQIEISA-N 363.895 4.911 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(F)c(NC(C)=O)c1 30010636 DBNLLKSTZYVQJE-UONOGXRCSA-N 371.456 4.737 0 40 FJAB Cc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)cc1 32604226 HOWAAWIQYHTSQA-UHFFFAOYSA-N 372.415 4.868 0 40 FJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 32904218 OXOXYDWEGJJKNN-GOSISDBHSA-N 366.505 4.857 0 40 FJAB Cc1cc(C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)c(C)o1 35586459 KQNYOCODAWSIRE-UHFFFAOYSA-N 358.206 4.567 0 40 FJAB FC(F)n1c(CSc2nccc(C(F)(F)F)n2)nc2ccccc21 41909520 HBVWBCGICPQZIE-UHFFFAOYSA-N 360.311 4.533 0 40 FJAB COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc(OC)cc3)co2)cc1 42738865 RJVLYVSSMUCXOQ-NRFANRHFSA-N 364.445 4.696 0 40 FJAB COc1ccc([C@@H](C)NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1F 45103404 CDHJEMYPBYQHIH-DNVCBOLYSA-N 371.456 4.617 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)Nc1ccccc1Cl 49410284 SRMDZZAZYWZWIS-UHFFFAOYSA-N 359.882 4.974 0 40 FJAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(F)(F)F)c3)oc2c1 57316747 RHVGPWXQBFJDPO-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412621 DHGXNSNEDQYXNI-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB Cc1ccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1 59109431 IGBABTSBUPYGBD-UHFFFAOYSA-N 374.362 4.642 0 40 FJAB Cc1ccc2cc(C(=O)N[C@@H]3CCSc4c(F)cccc43)c(C)nc2c1 84210000 BLSYCYXZAJFKRX-GOSISDBHSA-N 366.461 4.958 0 40 FJAB Brc1cccc(N2CC[C@@H](CNc3nc4ccccc4o3)C2)c1 84600432 QHEODHYBTOZEMS-ZDUSSCGKSA-N 372.266 4.529 0 40 FJAB CC(C)C(=O)N1CC[C@@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 96071047 WPHMVSZTCBYAIT-DEOSSOPVSA-N 362.517 4.577 0 40 FJAB COc1ccc([C@@H]2CCCCN(C(=O)CCSc3ccccc3)C2)cc1 208003914 JOOWHTKOMLJIIU-LJQANCHMSA-N 369.530 4.974 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCS[C@@H](c2ccccc2F)CC1 219100758 PIGFACXKIVBQLO-LJQANCHMSA-N 355.434 4.892 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2cccc(C)c2)cc1 222878780 JMJQOKCCMURPPB-OAQYLSRUSA-N 371.546 4.764 0 40 FJAB C[C@@H](CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 224480999 KUPORRCKYQUKCD-KRWDZBQOSA-N 367.470 4.561 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(C)c(C)c1 224623804 XHDHSORJBQYYJC-UHFFFAOYSA-N 353.462 4.517 0 40 FJAB COc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1Cl 225124249 WSDZMJDBJALFTC-OAHLLOKOSA-N 357.258 4.790 0 40 FJAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(C(C)C)cc2)n1 225828188 YXUHNUVTIPPDQU-UHFFFAOYSA-N 366.490 4.655 0 40 FJAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@H](C)C1 225890512 JWESGXHDTUTCCA-YCRPNKLZSA-N 356.466 4.556 0 40 FJAB Nc1ccc(N2CCCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 226255494 YJLPMUSKLYOVAP-UHFFFAOYSA-N 371.484 4.640 0 40 FJAB O=C(O)CSc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408613784 YEQYGDAAABVTQS-UHFFFAOYSA-N 361.806 4.515 0 40 FJAB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(O)c1 408620325 IGIANADLGFKMPT-UHFFFAOYSA-N 370.861 4.634 0 40 FJAB Cn1ccnc1[C@@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cccc(F)c1 534235610 OJVFVZDRJIVFCH-PMACEKPBSA-N 369.871 4.969 0 40 FJAB O=C(c1coc(C2CCCC2)n1)N1CCC[C@@H](Oc2ccccc2Cl)C1 585079966 YKALUIBMKYKSMP-OAHLLOKOSA-N 374.868 4.669 0 40 FJAB CC(C)(CNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)C1CC1 1134256429 SHMJUVLHKNFDDP-UHFFFAOYSA-N 359.473 4.705 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccccc3C)c2C(=O)O)cc1 709110 MVWSTUJABLCTQP-UHFFFAOYSA-N 351.427 4.982 0 40 FJAB CC(C)(C)NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 1339886 RPQVXLFRZZZYFK-UHFFFAOYSA-N 364.514 4.832 0 40 FJAB CC(C)Sc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 1836589 RACJXHSNBBJUSH-UHFFFAOYSA-N 354.519 4.706 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1Br 2647207 XCNGMYHUCZGZBF-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)cc1C 3117428 MNUTXCCRYHRUAY-UZLBHIALSA-N 368.477 4.583 0 40 FJAB biogenic Cc1nc(NC[C@@H](c2ccccc2)N(C)C)c2c3c(sc2n1)CCCC3 3338955 IRHSKRKWUFDUFV-KRWDZBQOSA-N 366.534 4.593 0 40 FJAB O=C(NCCC1=CCCCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O 3893690 UWLYWHDLDLUENL-UHFFFAOYSA-N 366.244 4.720 0 40 FJAB biogenic CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(OC)cc1 4061626 ARTQJLZHFSOIRE-UHFFFAOYSA-N 350.447 4.536 0 40 FJAB O=C(CSc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 4250515 DQMLAXONZWTCGF-UHFFFAOYSA-N 359.454 4.961 0 40 FJAB COc1cccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 4988512 XEHZVTFPQGKYTI-UHFFFAOYSA-N 374.396 4.770 0 40 FJAB Clc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1 5025318 XGKRAGQAKPBCFD-UHFFFAOYSA-N 361.257 4.610 0 40 FJAB CCSc1ccccc1C(=O)Nc1nc2c(F)cc(F)cc2s1 5240829 SMINKQFFJAZOFX-UHFFFAOYSA-N 350.415 4.939 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1OCC 6152209 DKXLOWSNGYLOLR-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB CCc1ccc(OCC(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1 6243670 CJXDWKZGHUADKT-HNNXBMFYSA-N 370.518 4.655 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(N2CCOCC2)cc1 7504748 BECMLEUHYVWMLJ-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ccccc2n1 8230447 FQEQKHMXCRRPRI-UHFFFAOYSA-N 359.351 4.572 0 40 FJAB COc1ccc(N(CC(=O)c2ccc(C)cc2C)C2=NCCCC2)cc1 8410406 IXMBOJIKVZRWJZ-UHFFFAOYSA-N 350.462 4.584 0 40 FJAB O=C(c1ccccc1)[C@H](Sc1nnc(-c2ccncc2)o1)c1ccccc1 9145916 RPCVSXXAKQVTPW-LJQANCHMSA-N 373.437 4.848 0 40 FJAB COc1ccc2oc(-c3csc(NC(=O)c4ccccc4)n3)cc2c1 10882274 OVZWYGIHJGXHLK-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccccc1)O2)CCCC3 12321756 OYZXWERPGGXBLS-SFHVURJKSA-N 360.409 4.687 0 40 FJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(Br)o1 12591383 WMSPHYVQHBOAEA-BQYQJAHWSA-N 369.218 4.860 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)cc1F 12820678 NVPQZOBZWOJXGO-UHFFFAOYSA-N 374.824 4.790 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(F)c3)c12 12989637 CQMVFTJKTRCBII-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cccnc1NCCc1ccccc1 22072280 MBWOXURPENXRGB-UHFFFAOYSA-N 351.837 4.642 0 40 FJAB O=C(NCc1cccs1)C1(c2ccc(Br)cc2)CCCC1 25363012 ATLXXAVAJDMZJN-UHFFFAOYSA-N 364.308 4.639 0 40 FJAB Cc1cccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)c1 28573623 BIWCACPJKFKIGL-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29460098 ADFQYXQKCULXNI-UHFFFAOYSA-N 362.360 4.671 0 40 FJAB Cc1ccccc1-n1ccnc1S[C@H](C)c1nc(-c2ccco2)no1 29739680 LOKIGHNZWRBWJS-CYBMUJFWSA-N 352.419 4.677 0 40 FJAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1C 41077010 JIJKODAYJVRWPD-UHFFFAOYSA-N 369.852 4.544 0 40 FJAB C[C@@H](Cc1cccs1)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 74852459 FRTLAOPKNTVHLO-JKSUJKDBSA-N 365.502 4.802 0 40 FJAB Cc1nccc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1 84290725 YIUXBECACWEDDI-UHFFFAOYSA-N 357.335 4.723 0 40 FJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccc(F)c1 95115914 ARZFKZRIAVCERG-GOSISDBHSA-N 350.418 4.879 0 40 FJAB Cc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 95453540 FLFTVORRKHKVSR-HXUWFJFHSA-N 350.849 4.757 0 40 FJAB CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 102112693 HKFJCIANJHBGAS-QFIPXVFZSA-N 360.461 4.604 0 40 FJAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1CCCCC[C@@H]12 104271615 PLKOGXQBDGYGAR-FQPOAREZSA-N 360.108 4.844 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)c(C)c1 139012049 PIASYCAOFDYVDE-CQSZACIVSA-N 351.368 4.578 0 40 FJAB CSc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 148106174 YSPMIVLXZGZUJZ-UHFFFAOYSA-N 351.475 4.522 0 40 FJAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206669780 JBTBREYUCLICNB-OAHLLOKOSA-N 369.465 4.687 0 40 FJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1C 214446517 WNNNEXAVCFHKPQ-WOJGMQOQSA-N 353.443 4.549 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219295170 VYVABPQWEXYYFK-LPHOPBHVSA-N 367.489 4.743 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)ccc3OC)N21 222668390 DSCIPMSKNXJGGA-DOPJRALCSA-N 373.909 4.723 0 40 FJAB O=C(c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)N1CCCCCC1 225268054 ZKDYVLXIYUIWCD-UHFFFAOYSA-N 353.853 4.900 0 40 FJAB CSc1ccc(CCC(=O)NCc2cncc(-c3cccs3)c2)cc1 225665196 UFTMPHQRGWPQQQ-UHFFFAOYSA-N 368.527 4.781 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1 225793928 BFXJNYXVMZDTEV-UHFFFAOYSA-N 371.362 4.647 0 40 FJAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)o1 226321780 QEZYDFOCUKXHJG-UHFFFAOYSA-N 370.623 4.858 0 40 FJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1C 409054999 OYFIVALYERMMGB-WQRHYEAKSA-N 353.443 4.549 0 40 FJAB CC(C)SCc1nnc2sc(COc3cccc4ccccc34)nn12 1776111065 SUJJSNNFMQNXQM-UHFFFAOYSA-N 370.503 4.560 0 40 FJAB Cc1ccccc1-c1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 632690 HQAVGLSNHWNCQD-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB Cc1cccc(OCc2nnc(SC(C)C)n2Cc2ccccc2)c1 916289 SBWPKDBMMCTLEO-UHFFFAOYSA-N 353.491 4.714 0 40 FJAB COc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1F 937526 JGQRDHJIYFJBKO-UHFFFAOYSA-N 362.404 4.811 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1sc2c(c1C(=O)O)CCCC2 940880 BOYTXKADPMDYRP-UHFFFAOYSA-N 365.454 4.660 0 40 FJAB Cc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)n2)cc1 947009 WNUQZJNUBURZAH-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1ccccc1 1263069 IBBBQUFERLGZBM-GDNBJRDFSA-N 374.259 4.686 0 40 FJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1)c1cccc(Cl)c1 1370224 WGKOWAWOMPOYAV-WOJBJXKFSA-N 360.929 4.788 0 40 FJAB Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405039 DXGBFHCVHIDBDU-UHFFFAOYSA-N 354.385 4.523 0 40 FJAB CC(C)(C)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3280607 KLBNEKBAJKAKRI-UHFFFAOYSA-N 351.475 4.658 0 40 FJAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3cccc(Cl)c3)c2cc1C 4002603 ZIQCBDSGXQHIRO-UHFFFAOYSA-N 363.848 4.710 0 40 FJAB COc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(C)cc1)=N2 4161630 BXVNRRNKBPERPX-UHFFFAOYSA-N 355.441 4.746 0 40 FJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 4248107 BWTUTWVZWKPBCM-OAQYLSRUSA-N 357.409 4.702 0 40 FJAB CCCCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12 4267326 TVKNUSSHWWIBDV-UHFFFAOYSA-N 366.417 4.822 0 40 FJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Nc1ccc(Cl)cc1 4904132 PWYHUGCCKGHSDY-UHFFFAOYSA-N 357.797 4.642 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc2ccccc12 6053027 NDTURLNULMDDLM-ZDUSSCGKSA-N 355.821 4.908 0 40 FJAB O=C(CSc1ccccc1Cl)Nc1ccc(Br)cc1F 6343763 HMMLKLDGWINYKG-UHFFFAOYSA-N 374.662 4.972 0 40 FJAB CC(=O)c1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1 6624666 RKUSPIIJEPLHLY-QFIPXVFZSA-N 352.478 4.670 0 40 FJAB biogenic COc1ccc(-c2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2C)cc1 6967457 PUOAIZAJEOFEEG-UHFFFAOYSA-N 374.849 4.738 0 40 FJAB Cc1ccccc1-n1cccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6969377 IZDBHAYOXRJBIZ-NFYBBCHUSA-N 367.518 4.875 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 7600905 RSKAXSHCULCAAN-QHCPKHFHSA-N 372.468 4.746 0 40 FJAB Fc1ccc(OCc2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 8328927 RYVCRTLFZWPLKF-UHFFFAOYSA-N 357.406 4.690 0 40 FJAB CC[C@H](C)c1ccc(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)cc1 8845092 GDSRWHOJGFGLER-QFBILLFUSA-N 361.489 4.544 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 10289301 UBENVCJTZWYTDT-MGPUTAFESA-N 369.461 4.869 0 40 FJAB Cc1nc(CSc2ccc(C(=O)NOCc3ccccc3)cc2)cs1 12766036 DEEKNTFJHJNBCV-UHFFFAOYSA-N 370.499 4.605 0 40 FJAB Cc1cc(C)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(C)c1 12766865 XSTBOUYFLVNNRH-UHFFFAOYSA-N 361.401 4.969 0 40 FJAB Cc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)c1ccco1 12848409 RUQUXUZOUZGFEF-MRXNPFEDSA-N 374.440 4.822 0 40 FJAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2ccccc2c1O 12924889 CEQJVZGJMQLQRR-UHFFFAOYSA-N 364.397 4.504 0 40 FJAB COc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1Cl 12995579 KTUQPGUTDVUJRN-UHFFFAOYSA-N 358.825 4.661 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCCCC1 13005803 QSNRECYLJFAORG-UHFFFAOYSA-N 354.397 4.763 0 40 FJAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1Cc1ccccc1Cl 13637347 ZAKDIPPXOMALQG-UHFFFAOYSA-N 364.807 4.904 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 14109985 IPGKDALWWNVBIX-UHFFFAOYSA-N 352.478 4.570 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)cc1Cl 14180592 LGFAVNJORWLNLO-UHFFFAOYSA-N 352.843 4.845 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Cn2cccn2)cc1 14232690 XRBPSRARAMSZKS-UHFFFAOYSA-N 367.880 4.962 0 40 FJAB Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)sc2c1 16488678 ASLPJIHBFWVRIX-UHFFFAOYSA-N 362.458 4.660 0 40 FJAB CC(C)(C)C(=O)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20312983 VAIMDRUTKHORLF-MRXNPFEDSA-N 369.852 4.642 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cc(C)ccc1C 21787192 VGLNYLBWZDMLIP-OAQYLSRUSA-N 361.489 4.775 0 40 FJAB O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccccc2Cl)n1 22010462 CQSHMEYHYVXMDD-UHFFFAOYSA-N 370.783 4.692 0 40 FJAB COc1ccc(-c2nc(CN3CCCc4ccccc43)cs2)c(OC)c1 24829569 WLXFCBMIZBYKKX-UHFFFAOYSA-N 366.486 4.780 0 40 FJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(O)c(Cl)c1 25618192 MXFMUBWKIKAMBT-QGZVFWFLSA-N 361.825 4.766 0 40 FJAB O=C1CCCN1c1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 26777897 ICASEBDUXHLLFJ-UHFFFAOYSA-N 368.820 4.701 0 40 FJAB Cc1ccc(C)c(Nc2nc(Nc3ccccc3C)nc3c2cnn3C)c1 27666438 XMTLBXXYIOHSEH-UHFFFAOYSA-N 358.449 4.776 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Cc2c(C)noc2C)o1)c1ccc(C)cc1 28242737 SSHLVAKFNDEGBY-LJQANCHMSA-N 352.434 4.665 0 40 FJAB Cc1nc(COc2ccc(/C=C/C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cs1 29515875 SSLLIPQUWCPUJG-MYNUTGAYSA-N 370.518 4.548 0 40 FJAB Cc1cccc(-n2ccnc2SCc2noc(-c3ccsc3)n2)c1 32908193 WSIPYRPKUFNVRY-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1OC 44904814 QHSLNAHZPKVHRG-FQEVSTJZSA-N 365.429 4.653 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)cc2)cc1OCC 48228518 WFOKGZYDBBVQEB-AWEZNQCLSA-N 374.506 4.540 0 40 FJAB CC(C)(C)n1cc(C(=O)Nc2cccc(C3SCCCS3)c2)cn1 56163452 DKHIOSTWHLXRNU-UHFFFAOYSA-N 361.536 4.759 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2c(F)cc(F)cc21 57981378 LGKSMPRUMBKMAG-UHFFFAOYSA-N 354.356 4.521 0 40 FJAB COc1ccc(Cl)cc1NC(=O)N1CCC(c2cccs2)CC1 75157090 VLNLOTFJSVSWGR-UHFFFAOYSA-N 350.871 4.822 0 40 FJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc2ccccc2c1 95349547 FWTIEFOHRAVBTI-UHFFFAOYSA-N 360.388 4.872 0 40 FJAB CC(C)c1nc2ccc(NCC(=O)Nc3ccc(F)cc3F)cc2s1 95956016 SYBGWLPNGXPOSL-UHFFFAOYSA-N 361.417 4.749 0 40 FJAB CN(C)c1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)s1 96346806 MTFSLDPDEVKZDS-SJORKVTESA-N 355.503 4.930 0 40 FJAB CO[C@@](C)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 96392511 CGRWUQIWKPIPQY-CQLMTFPYSA-N 361.913 4.534 0 40 FJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223369908 DTFMBMRNLRRNLZ-ZWKOTPCHSA-N 365.527 4.624 0 40 FJAB COc1cc(C)c(C(=O)NCCOc2cc(C)cc(C)c2)cc1C(C)C 224114169 PHEJCPDDGDDAPL-UHFFFAOYSA-N 355.478 4.553 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccccc1 225480853 REKOKOOEGCEERG-INIZCTEOSA-N 362.882 4.564 0 40 FJAB CCc1ccc2oc(-c3cccc(N(CC)C(=O)C(F)(F)F)c3)nc2c1 226284506 WSPQRRCVSHCOPJ-UHFFFAOYSA-N 362.351 4.972 0 40 FJAB CC(C)(C)CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257246462 IUFSRQIYWGQTQU-INIZCTEOSA-N 358.457 4.547 0 40 FJAB Cc1cccc(Nc2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)n1 257341469 ZKMJZKLVGVYMGU-FQEVSTJZSA-N 359.477 4.651 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)cc1)c1cccc(Br)c1 390832090 XDVAQPKTVQGKMK-UHFFFAOYSA-N 356.219 4.639 0 40 FJAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccccc2)C1=O 408728207 WRKJDMMZCFJCKB-MHWRWJLKSA-N 358.850 4.754 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3cccs3)sc1CC2 409053214 NCBVZBGNNLUXAU-UHFFFAOYSA-N 356.472 4.540 0 40 FJAB CC(C)(C)OC(=O)NCc1cc2cc(Br)cc(Cl)c2o1 521840100 IEMNSFZDWWSDIJ-UHFFFAOYSA-N 360.635 4.873 0 40 FJAB O=C(COc1ccccc1)NCc1ccc(-c2nc3ccccc3s2)cc1 624179 VNJNBKAOMZHBJW-UHFFFAOYSA-N 374.465 4.659 0 40 FJAB Cc1ccc2nc3n(c2c1)C(=O)[C@H]1C2c4ccccc4C(c4ccccc42)[C@@H]31 988081 AEVLAQMBVRXWGD-HDJSHQJTSA-N 362.432 4.989 0 40 FJAB O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1c1ccccc1 1213456 XDJCCIVUAKDYPN-UVTDQMKNSA-N 360.232 4.690 0 40 FJAB O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)c1ccccc1 1317586 PQKFFGSOFXWYAN-UHFFFAOYSA-N 356.377 4.722 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cccc(F)c1 1339999 UZKZFBWLKNPQEK-UHFFFAOYSA-N 354.450 4.976 0 40 FJAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 1448034 BGPXGURKBHEERP-UHFFFAOYSA-N 372.376 4.688 0 40 FJAB biogenic COc1cccc2c1[C@]1(O)[C@@H]2CCCCCCCCCC12OCCCO2 1634662 LDXHOTCDKPRQCD-XMSQKQJNSA-N 360.494 4.638 0 40 FJAB CC(C)CN(CC(C)C)C[C@H](O)Cn1c2ccccc2c2ccccc21 2198080 MFXOUUHTHFOOOW-IBGZPJMESA-N 352.522 4.769 0 40 FJAB Cc1cccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CCC4)c1 2312732 YTKHIKALWRLJBL-UHFFFAOYSA-N 356.516 4.745 0 40 FJAB O=C(CSc1ccccc1F)Nc1nc2c(s1)CCc1ccccc1-2 3328338 YTGAFKKJFCCSMR-UHFFFAOYSA-N 370.474 4.779 0 40 FJAB C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1cccc(Cl)c1Cl 3450135 ALUKEMNHVUJDQR-QROSGCPLSA-N 370.257 4.639 0 40 FJAB Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 4221275 SHCJHCOOJUSACM-UHFFFAOYSA-N 352.503 4.816 0 40 FJAB CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4517610 QVFFKNMSDMQKMF-UHFFFAOYSA-N 370.455 4.513 0 40 FJAB Nc1nc(SCCc2ccccc2)nc2sc3c(c12)CCCCC3 4817179 ZKGQAJIYAMJGHY-UHFFFAOYSA-N 355.532 4.877 0 40 FJAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccco4)cc(C)c3O)nc2c1 4988483 DYQKWXRLXZHHGH-UHFFFAOYSA-N 362.385 4.971 0 40 FJAB CC(=O)c1cccc(NC(=O)COc2ccc3oc4ccccc4c3c2)c1 5677464 FAUCTZZOCYGJNI-UHFFFAOYSA-N 359.381 4.806 0 40 FJAB COc1ccccc1OCCC(=O)Nc1ccc(Oc2ccccc2)cc1 6259524 HHLZEZWJBPLZQH-UHFFFAOYSA-N 363.413 4.895 0 40 FJAB C[C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 6943976 PSECHVGJFFWNTD-YJBOKZPZSA-N 365.502 4.909 0 40 FJAB CN(C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 6949501 PHYQOMPAHQVCRP-UHFFFAOYSA-N 368.436 4.535 0 40 FJAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 7481442 PMKSOFIXFVNDCV-LLVKDONJSA-N 364.228 4.996 0 40 FJAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(Cl)c1Cl 7601534 UBPQYNXCCOKOMF-UHFFFAOYSA-N 351.262 4.658 0 40 FJAB Cc1ccc2oc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c(C)c2c1 8614056 DUDFAWAKQYHQLA-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)c1 9318534 NLLASRKEJOMNLT-OAHLLOKOSA-N 367.836 4.527 0 40 FJAB CCOc1ccccc1CCCNC(=O)CSc1ccc(Cl)cc1 10110863 FRBYQSXTUZCXSY-UHFFFAOYSA-N 363.910 4.580 0 40 FJAB Cc1ccc(-c2cc(C(=O)Oc3ccccc3Br)no2)cc1 11916415 VWURLMVRDPWDEB-UHFFFAOYSA-N 358.191 4.632 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)cc3)s2)cs1 12396581 WUBFWLYUWPJRDM-UHFFFAOYSA-N 362.907 4.806 0 40 FJAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Br 12754808 PKCWATDYGKRTPO-XUXNNNHQSA-N 362.311 4.843 0 40 FJAB CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12871670 FJMJFBZBZAITBQ-UHFFFAOYSA-N 364.449 4.541 0 40 FJAB C[C@@H](OCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 12872230 OPRQYWWPODCXNZ-CYBMUJFWSA-N 352.261 4.891 0 40 FJAB CC(C)Cn1c(S[C@@H]2CCCCCC2=O)nnc1-c1ccccc1F 12883015 QYSFCOBQOJIFFM-QGZVFWFLSA-N 361.486 4.734 0 40 FJAB COc1ccccc1/C=C(\C(=O)NCc1ccc(C)cc1)c1ccccc1 12954702 JXZOREDSFSPERO-JWGURIENSA-N 357.453 4.861 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2c(-c3ccccc3)noc2C)c1 14014921 CGNLVYHHPDNZRB-UHFFFAOYSA-N 366.417 4.700 0 40 FJAB Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(Cl)cc3Cl)ccc12 14115513 FDTUYXWSXSGHDA-UHFFFAOYSA-N 362.212 4.589 0 40 FJAB COc1cccc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)c1OC 15018282 HYHNNVRFRFABHM-IBGZPJMESA-N 359.425 4.708 0 40 FJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1nc(Cl)ccc1Cl 16004758 AALZQEGYYFXREF-UHFFFAOYSA-N 358.637 4.904 0 40 FJAB C[C@H](SCCCCCCCCCCS[C@H](C)C(=O)O)C(=O)O 17140546 MBVHGSSDZDDVJS-OKILXGFUSA-N 350.546 4.520 0 40 FJAB CCCCc1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 19815064 CAFOAKBCUXUGKT-UHFFFAOYSA-N 367.562 4.544 0 40 FJAB Cc1ccccc1OCC(=O)N(Cc1cccs1)c1ccc(F)cc1 27664325 RIYXIZQKRKYUBU-UHFFFAOYSA-N 355.434 4.808 0 40 FJAB O=C(Nc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 28226668 BLBYVASICMUMEL-UHFFFAOYSA-N 361.232 4.882 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 30754327 UEIQNXXOAOODSI-QGZVFWFLSA-N 352.478 4.570 0 40 FJAB COc1ccc(OC)c(NC(=O)CS[C@@H](C)c2ccccc2Cl)c1 33047580 DKNDHDWZBSWPEB-LBPRGKRZSA-N 365.882 4.790 0 40 FJAB Cc1cccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 44847694 ANLKIWJERZHSEY-QFIPXVFZSA-N 365.498 4.512 0 40 FJAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 45890500 KDFKAZFMXYREGZ-UHFFFAOYSA-N 368.289 4.518 0 40 FJAB CC(C)c1nnc(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)o1 49377113 DVOGPUCPILCNAO-UHFFFAOYSA-N 353.388 4.591 0 40 FJAB NC(=O)[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 58369696 ARYMYYLEJVUXFH-HXUWFJFHSA-N 371.465 4.616 0 40 FJAB CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 59457313 YKPDYHZVXBWMGX-MHWRWJLKSA-N 374.462 4.654 0 40 FJAB O=C(/C=C/c1ccccc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130219 SDHKRYISUJEXFV-VAWYXSNFSA-N 371.484 4.502 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)C1CCC(n2cccc2)CC1 65614693 WRSIJQFMHYECDC-UHFFFAOYSA-N 351.494 4.848 0 40 FJAB CC(C)Oc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72211930 QBZUPVNNKXYYLY-LJQANCHMSA-N 354.450 4.733 0 40 FJAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)C1(c2cccs2)CCCC1 96097249 VZJCDVUVEOBZJA-MRXNPFEDSA-N 369.486 4.546 0 40 FJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1ccc(F)cc1 101361541 RUESPEYHUYWDRT-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COc2cccc(Cl)c2Cl)C1 102243379 MEFLDVHFYQEPFE-KPZWWZAWSA-N 356.293 4.799 0 40 FJAB C[C@@]12CC[C@@H]3c4cc(OCC(F)(F)F)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 104314265 SEJLRFOCUWYOPK-RSADAIHESA-N 370.411 4.550 0 40 FJAB O=C(Cc1cccs1)N1CCS[C@@H](c2ccccc2Cl)CC1 208046244 OCVYYYSFQFEXLJ-MRXNPFEDSA-N 351.924 4.651 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219545321 WVGNGVMWDDAVFU-LJQANCHMSA-N 369.505 4.607 0 40 FJAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1cccc(C)c1 224388555 ONNZDUMRQYFQNT-UHFFFAOYSA-N 355.478 4.749 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2cc(C)ccc2C)cc1 225802226 QVYMRDJJEOXCLU-UHFFFAOYSA-N 360.548 4.781 0 40 FJAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)cs1 226093133 HPLSWOBXUGJICV-UHFFFAOYSA-N 373.865 4.766 0 40 FJAB CSCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 408729844 JVHHIOYUQURABF-UHFFFAOYSA-N 351.924 4.725 0 40 FJAB O=C1N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 409107093 USSNEQZRVGZQFY-VGOFMYFVSA-N 367.619 4.744 0 40 FJAB O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cnc(O)c2ccccc12 530350333 HXEWRGAONUBKQY-UHFFFAOYSA-N 364.420 4.536 0 40 FJAB O=C(C[C@@H](Cc1ccccc1)c1ccccc1)Nc1cnn(CC2CC2)c1 608251649 LYFCCJDOCUTXQU-OAQYLSRUSA-N 359.473 4.648 0 40 FJAB C/C=C/C[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)C1 629376318 VNROJHYRGSQXOZ-FAAWYNLUSA-N 356.491 4.687 0 40 FJAB CCOC(=O)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1 725538353 FUHREEUSMVPWLY-HZCBDIJESA-N 351.490 4.811 0 40 FJAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NCc1ccccc1 682558 NIXBXAIDJLKYJM-SNVBAGLBSA-N 358.652 4.731 0 40 FJAB COc1ccc(NC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 799480 UFGXZONRENHBBD-UHFFFAOYSA-N 360.826 4.511 0 40 FJAB O=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1 800751 SBFYJZXUKFICOD-UHFFFAOYSA-N 359.381 4.764 0 40 FJAB Cc1ccc2nc3n(c2c1)C(=O)[C@H]1C2c4ccccc4C(c4ccccc42)[C@H]31 988083 AEVLAQMBVRXWGD-BBITVKMKSA-N 362.432 4.989 0 40 FJAB Cc1ccc(C(=O)COc2ccc3c(C)c(CC(C)C)c(=O)oc3c2)cc1 1511620 VBOFPWMLXVRGGU-UHFFFAOYSA-N 364.441 4.870 0 40 FJAB Cn1c(NC(=O)C2CCCCC2)c(-c2cccs2)c(=O)c2ccccc21 2353307 MIYWWWWRRFEOKS-UHFFFAOYSA-N 366.486 4.786 0 40 FJAB COc1cc2nc(-c3ccccc3)nc(N3CCC[C@@H](C)C3)c2cc1OC 2357369 GZJQFKZLTQHEHA-OAHLLOKOSA-N 363.461 4.550 0 40 FJAB C[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 2632267 ICPNHXKPIRQVNF-GOSISDBHSA-N 361.441 4.522 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1 2917501 IKHLMNFUZVBAPS-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB Fc1ccccc1CSc1nc(NC[C@@H]2CCCO2)c2ccccc2n1 2948686 YKXMUTREICSZMY-HNNXBMFYSA-N 369.465 4.652 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3222333 JPHXRBBVGFUTIU-UHFFFAOYSA-N 363.486 4.913 0 40 FJAB CC[C@@H]1c2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1C 4416625 RTPSBRFMJKJZNR-QOAZOABKSA-N 356.462 4.996 0 40 FJAB in-vitro O=C(NCc1ccccc1NC(=O)Nc1ccccc1)Nc1ccccc1 5774467 LMQTVMZKGSCVQR-UHFFFAOYSA-N 360.417 4.652 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2ccc(Br)c(C)c2)cc1 6377398 GLJFUTIGVUXHHU-UHFFFAOYSA-N 362.267 4.864 0 40 FJAB O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(/C=C/c2ccccn2)c1 6822601 JSJBFIRQQAZWNW-ACCUITESSA-N 354.453 4.922 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1OC 7285457 RUKVEEVGQLAPMJ-UHFFFAOYSA-N 359.425 4.917 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCSc2ccccc21 7988109 SSCWUAHXPFTNOY-KRWDZBQOSA-N 366.511 4.706 0 40 FJAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2cccc(C)c2)cc1 8414561 OLRFJGFMWWEZAD-UHFFFAOYSA-N 350.462 4.665 0 40 FJAB Cc1ccc(CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 9426031 VZLGEQGSXJBLHP-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)c2ccc3ccccc3n2)cc1 12420684 SYBSBCGHMWKVJZ-UHFFFAOYSA-N 364.470 4.979 0 40 FJAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NC1CCCCCC1 12885994 OECYAZOMCHKDEH-UHFFFAOYSA-N 361.536 4.688 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 14007003 YAOPLCICZYHIIO-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB CCc1nnc(NC(=O)c2ccccc2OCc2ccccc2Cl)s1 15963533 MXUGIZPEERIFCZ-UHFFFAOYSA-N 373.865 4.585 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccccc1 20494330 MSFFSOIKFLGELJ-LJQANCHMSA-N 357.519 4.510 0 40 FJAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(F)cc1 25045170 CCEQBHNYAASXHT-UHFFFAOYSA-N 359.378 4.576 0 40 FJAB CC(C)(C)c1ccc(NC(=O)NCc2ccccc2Cn2ccnc2)cc1 40024072 YAZYNMOYMOCFSP-UHFFFAOYSA-N 362.477 4.551 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 44885119 DSSMOXWEKCRHGS-YLJYHZDGSA-N 355.478 4.737 0 40 FJAB Fc1ccc([C@@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CCO2)cc1 48236052 PSBGVJIOIFFIOM-FQEVSTJZSA-N 372.827 4.708 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)cc1)CO3 54278196 DHARDOMAKGOVIK-UHFFFAOYSA-N 369.848 4.669 0 40 FJAB biogenic CCCCOC(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71761013 CNLOVDDPTJMIMK-UHFFFAOYSA-N 364.417 4.731 0 40 FJAB COc1ccc(C)cc1C1(CNc2nc3ccccc3s2)CCOCC1 71824068 ZAHQKEYGNXRNCG-UHFFFAOYSA-N 368.502 4.774 0 40 FJAB O=C(CC1CCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380337 CGWMVMBKNAYXRT-QGZVFWFLSA-N 355.457 4.502 0 40 FJAB Cc1nc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2n1C 78518776 KHBUAWUAKYLURE-UHFFFAOYSA-N 357.413 4.926 0 40 FJAB O=C(N[C@@H](SCc1ccccc1)C(=O)c1ccccc1)c1cccs1 80346134 ZDEFSQBQKDBHDT-FQEVSTJZSA-N 367.495 4.620 0 40 FJAB Cc1ccc(NC(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c(C)c1 84133444 VYLMWEABEGEBJB-RTBURBONSA-N 365.521 4.582 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222970051 UCEPQOGBAICWJM-YCRPNKLZSA-N 355.453 4.739 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)s1 223081378 XDXXYBWMNJVHMP-ZWKOTPCHSA-N 357.548 4.757 0 40 FJAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1C 223430516 DIVVJNRXRGBZSJ-QGZVFWFLSA-N 353.487 4.805 0 40 FJAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COC 224685193 OYVJIFBZDQRLBG-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCC2)cc1 224924868 PIUUSJYKKWDESM-HXUWFJFHSA-N 352.478 4.700 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225279060 MPECDSLCGAYAJL-UHFFFAOYSA-N 361.507 4.799 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NCCC2=CCCCC2)cc1Cl 225355364 FCBBJGZNCSRRAU-UHFFFAOYSA-N 366.914 4.694 0 40 FJAB CCOc1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 225438724 SYPMBMWCFPOFAO-UHFFFAOYSA-N 354.397 4.591 0 40 FJAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(-n2cccc2)cc1 225651407 PDSBLPQXHVVCMK-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 225665714 OTLBHTYTMGMTBP-UHFFFAOYSA-N 369.486 4.774 0 40 FJAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C)c(C)c1 225710950 QCGYGPZTKBJEQQ-KRWDZBQOSA-N 356.491 4.512 0 40 FJAB CCN(C[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 257345114 JWPJWGDDEDOKCM-IWLVTHKOSA-N 351.575 4.623 0 40 FJAB O=C(O)c1cccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 408583002 QQXHAZUUESOGIV-UHFFFAOYSA-N 370.474 4.528 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 408616432 ZCDHNORIFPNMKA-UHFFFAOYSA-N 364.489 4.909 0 40 FJAB COc1ccc(OC)c(-c2nc(NC(=O)c3cccc(F)c3)sc2C)c1 408824060 GTDMKSVSIUKDEZ-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CC(C)(C)C(=O)N[C@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl 872964 WVXWVLDNRMVICQ-ZDUSSCGKSA-N 374.699 4.505 0 40 FJAB Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 1780653 HWRIRNWRJZOCQL-MRXNPFEDSA-N 366.530 4.966 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 2761032 NRDQVADRAQLYSH-OAHLLOKOSA-N 353.393 4.797 0 40 FJAB O=C(NCCSc1ccc(Br)cc1)c1ccccc1Cl 3132989 AWBWWDLJDAFUQN-UHFFFAOYSA-N 370.699 4.625 0 40 FJAB CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 3899312 OHQDARXZSURSKY-JXAWBTAJSA-N 360.523 4.891 0 40 FJAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cc(Cl)ccc1Cl 4348438 SMJKWHSMBGQGDD-UHFFFAOYSA-N 367.213 4.584 0 40 FJAB Nn1cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1 4406092 VXYGLEXJINEHHP-UHFFFAOYSA-N 350.274 4.863 0 40 FJAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1nc(C)cs1 4849503 FNGJOSGEAFGAKM-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5453458 JXOICCUMHAXSEM-LLVKDONJSA-N 374.897 4.856 0 40 FJAB O=C1CC[C@@H](c2nc3ccccc3[nH]2)N1Cc1csc(-c2ccccc2)n1 5544872 VMHRFCOEGSVKNO-SFHVURJKSA-N 374.469 4.550 0 40 FJAB CC(C)COc1cccc(C(=O)Nc2ccc(CN3CCCC3)cc2)c1 6358003 AQOPHGPJCZKVHU-UHFFFAOYSA-N 352.478 4.570 0 40 FJAB CCn1c([C@@H](NC(=O)c2cccs2)c2ccccc2)nc2ccccc21 6658931 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CC(C)(C)c1cn2c([nH]1)c(-c1nc3ccccc3[nH]1)c(=O)c1ccccc12 12535225 XUAIQKLZVZYGRB-UHFFFAOYSA-N 356.429 4.622 0 40 FJAB O=C(CCc1cccs1)Nc1c(-c2ccc(F)cc2)nc2sccn12 12550084 IWZJCBNWCZBVAG-UHFFFAOYSA-N 371.462 4.835 0 40 FJAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccco2)n1-c1ccccc1 12607969 OVUCDCJTHMGWLW-LLVKDONJSA-N 366.273 4.813 0 40 FJAB C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccs1 12784918 LXJIPVBZMHJOJV-CQSZACIVSA-N 355.434 4.957 0 40 FJAB Cc1ccc(NCC(=O)Nc2cccc(-c3csc(C)n3)c2)c(F)c1 15319397 MQPYUJSBHHGPSD-UHFFFAOYSA-N 355.438 4.617 0 40 FJAB Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc2ccccc21)c1ccccc1 15346771 HTCKQPPSNQNJOY-HYBUGGRVSA-N 372.468 4.512 0 40 FJAB Cc1nn(-c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)c(C)c1Cl 16022779 WRSNJIGQRQQEHM-ZDUSSCGKSA-N 365.864 4.734 0 40 FJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 16751083 ZNWRJNCRZMPNNO-FQEVSTJZSA-N 361.441 4.872 0 40 FJAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17288291 VISUNVQARXNIGI-UHFFFAOYSA-N 363.852 4.935 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1 20395646 MXVCOASDAZSISC-UHFFFAOYSA-N 374.799 4.598 0 40 FJAB CCCCC[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 25346058 VCAKRJOTIVKXDS-WIYYLYMNSA-N 366.505 4.633 0 40 FJAB O=C(OCc1csc(-c2ccco2)n1)c1cc(F)c(F)cc1Cl 25462713 VHXDYYXMFJPQJL-UHFFFAOYSA-N 355.749 4.692 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCCCCC2)cc1 27664375 HVKYOVWGLPIPPN-NRFANRHFSA-N 370.924 4.996 0 40 FJAB Cc1ccc(Cn2nc(C)c(NC(=O)CSc3ccccc3)c2C)cc1 27922129 MVHWCRKTSBGBNU-UHFFFAOYSA-N 365.502 4.587 0 40 FJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1Cl 28276586 XYYFOBMSQVCRNW-UHFFFAOYSA-N 367.836 4.664 0 40 FJAB CCC(CC)C(=O)Nc1c(C)nn(Cc2ccc(F)cc2Cl)c1C 28305999 HIKLWGBXWBRALV-UHFFFAOYSA-N 351.853 4.715 0 40 FJAB CNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1 32818047 XBMAUJJTVAXBLO-UHFFFAOYSA-N 369.421 4.558 0 40 FJAB COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(Cl)s3)cc2c1 32865602 RGZBPGBNHYJSCF-UHFFFAOYSA-N 360.866 4.539 0 40 FJAB CC(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 32915825 MGVMBMVWAFSOBA-UHFFFAOYSA-N 365.429 4.502 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 32930806 YHESXPSFBAGGCN-UHFFFAOYSA-N 371.849 4.897 0 40 FJAB Fc1ccc(CN(Cn2ncn(C3CC3)c2=S)C2CCCCC2)cc1 40071352 NEZLJIIGXABKTB-UHFFFAOYSA-N 360.502 4.680 0 40 FJAB FC(F)(F)c1cccc(N2CCN(C3=Cc4ccccc4CC3)CC2)c1 55145711 VSVAJGSZITVCQV-UHFFFAOYSA-N 358.407 4.815 0 40 FJAB Cc1cccc(Cc2cnc(NC(=O)NCc3ccccc3F)s2)c1 75572440 GNXKGVOLKKOLPD-UHFFFAOYSA-N 355.438 4.503 0 40 FJAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 85411972 GBNDMJHTVZZWDE-GOSISDBHSA-N 371.506 4.966 0 40 FJAB Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)c1 223391675 AAQXPICHSWPRDA-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB Cc1ccc(C)c(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 223426941 IGBHTKDUEAASNA-STZFKDTASA-N 374.440 4.614 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1C 223505609 MUPVIIGMFOANRS-HNNXBMFYSA-N 360.295 4.794 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 224613439 XALSKNLHCUTGSU-QGZVFWFLSA-N 364.489 4.665 0 40 FJAB COc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)c(OC)c1 225344982 KMLRYUAPFYUAIM-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1Cl 225630565 WJANCFBTOUGPPZ-UHFFFAOYSA-N 357.837 4.648 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cccc(OC(C)C)c3)n2)cc1 408619219 ABGJYLQMNXZEFA-UHFFFAOYSA-N 368.458 4.858 0 40 FJAB O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCSc2ncccc21 607840819 CWGNPBKLFXRIGS-UHFFFAOYSA-N 366.417 4.766 0 40 FJAB Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)c2c(F)cccc2F)c(C)c1 676721861 NBZMNBCJHLDMNG-OXQOHEQNSA-N 355.432 4.870 0 40 FJAB Cc1ccc(CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c(Cl)c1 1544793521 TZBVLJIIXHFZOF-UHFFFAOYSA-N 365.820 4.966 0 40 FJAB Cc1nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2s1 810235 XNOQMXHHYDYDEI-UHFFFAOYSA-N 354.456 4.559 0 40 FJAB c1ccc(-c2csc3ncnc(Sc4nnc5ccccn45)c23)cc1 934423 VTWTZEHOBOADIH-UHFFFAOYSA-N 361.455 4.552 0 40 FJAB CCCOc1ccc([C@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 2294684 MAZZASHVOPNVPI-GOTSBHOMSA-N 353.506 4.779 0 40 FJAB CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc(C)c1C 3356272 ZWDHYZORTZWTMW-UHFFFAOYSA-N 363.504 4.663 0 40 FJAB CCc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3434200 GTLYLOUMGPXLPU-UHFFFAOYSA-N 372.420 4.520 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCCc2ccccc2)cc1 4699143 CTMQCSXNJLGVIA-SFHVURJKSA-N 366.505 4.524 0 40 FJAB COCc1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 5278933 HYTKSFCKPYGLCD-UHFFFAOYSA-N 361.397 4.993 0 40 FJAB Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 6452610 LXGMSKVXSZRJRP-UHFFFAOYSA-N 370.528 4.517 0 40 FJAB Cc1c(C)c(C)c(CNNC(=S)Nc2cccc(Cl)c2)c(C)c1C 6483343 NVKHBAMBCYSSMA-UHFFFAOYSA-N 361.942 4.873 0 40 FJAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)CCc2nc3ccccc3s2)c1 6628122 ZDMLTVCZZQFHHX-OAHLLOKOSA-N 367.470 4.660 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 7080041 OPBMILQMXRYKDB-INIZCTEOSA-N 368.477 4.812 0 40 FJAB Cc1ccc(Nc2nnc(Sc3ncnc4sccc34)s2)cc1 7271945 ZDHSDMKTLJBCTI-UHFFFAOYSA-N 357.489 4.746 0 40 FJAB Cc1ccc(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 8715569 WRNZCMMKIXVPPH-UHFFFAOYSA-N 363.482 4.791 0 40 FJAB Cc1cccc(NC(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c1 8778876 UZSJQOWXPUSSRO-CYBMUJFWSA-N 358.392 4.665 0 40 FJAB Cc1ccc(C)c(-n2cnn(CN3CCC[C@H]3c3ccccc3)c2=S)c1 12597691 SDVLHOIQZZJTQW-IBGZPJMESA-N 364.518 4.815 0 40 FJAB CCc1ccc(-c2noc(CN[C@@H](c3ccc(F)cc3)C(C)C)n2)cc1 12859973 BPWYJLUKTYEVNN-HXUWFJFHSA-N 353.441 4.925 0 40 FJAB Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 12894613 PMBCCPIMIZRKLP-GDNBJRDFSA-N 373.840 4.975 0 40 FJAB Cc1cccc(-c2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)c1 12920189 XZYMQMDGKRGQJQ-UHFFFAOYSA-N 356.878 4.631 0 40 FJAB C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O 13410048 RAPGMQQTEPEGFO-OBPDKVQSSA-N 350.499 4.972 0 40 FJAB CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)c(C)c3)=NN12 13758556 AZXTUVGLPQWGGX-FPOVZHCZSA-N 352.503 4.926 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 15632586 DVLMYKOUZMAAQS-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB CCCCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 15841225 YSPYWIKZSWNJKQ-UHFFFAOYSA-N 355.463 4.903 0 40 FJAB Cc1c(C(=O)NCCN(C(C)C)C(C)C)oc2c1ccc1ccccc12 16600057 HYQXDNPZNKPXMC-UHFFFAOYSA-N 352.478 4.743 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSc1ccccc1 20485282 LKFVYADDRWAOAK-NRFANRHFSA-N 365.498 4.906 0 40 FJAB CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(OC)cc1 22074758 IOPODUUJRSMORP-UHFFFAOYSA-N 354.277 4.733 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1F 23996314 YOYCAOBXHOBIIW-HNNXBMFYSA-N 371.415 4.927 0 40 FJAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(F)cc1F 25066636 VAKDAVZCPDTVDS-UHFFFAOYSA-N 366.411 4.849 0 40 FJAB Cc1cc(Br)ccc1SCC(=O)NCc1sccc1C 29234900 TWPQPVPELJAFDR-UHFFFAOYSA-N 370.337 4.536 0 40 FJAB Cc1nc(NC(=O)c2cncc(Br)c2)sc1-c1ccccc1 29921763 IRDVNCOHLPLBBZ-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB O=C(Cc1ccccc1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 32610548 QYWFLBRPVKEVDU-UHFFFAOYSA-N 373.387 4.724 0 40 FJAB CCOC(=O)c1c(/C=C/c2ccc(Br)s2)cccc1OC 34008864 BWDVBBLIPZRFFC-BQYQJAHWSA-N 367.264 4.866 0 40 FJAB Cc1noc([C@@H](C)Sc2ncnc3scc(-c4ccccc4)c23)n1 37149593 NSIHFLQORLRXIL-SNVBAGLBSA-N 354.460 4.903 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1)c1ccco1 40110534 QXFLCSHODNNPQZ-QGZVFWFLSA-N 366.442 4.571 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1C(F)(F)F 41018835 BCKVCVKACPBISS-UHFFFAOYSA-N 360.335 4.932 0 40 FJAB O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 41450286 AAYAJSLHQBEEQJ-UHFFFAOYSA-N 362.385 4.638 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc2nsnc2c1 59294385 BXSOJTDMUHFSKZ-UHFFFAOYSA-N 372.881 4.587 0 40 FJAB Cc1ccc(F)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 67296358 IJQNPIKUTADONO-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@@H]1C1CCCCC1 70040646 FGIJOYPYHZRIFS-HXUWFJFHSA-N 363.505 4.546 0 40 FJAB CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215444 LMECLZAKCFBOCZ-SFHVURJKSA-N 359.514 4.923 0 40 FJAB C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc(Oc2ccncc2)c1 72311344 KUNHZUFUBFBWBO-HNNXBMFYSA-N 352.459 4.639 0 40 FJAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccsc3)=NN21 72314740 FNLUEFFLEHDPQB-RXVVDRJESA-N 362.454 4.999 0 40 FJAB Clc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359435 CAKGHPPIOPNQPF-QGZVFWFLSA-N 364.880 4.572 0 40 FJAB CN(Cc1ccccc1)CC1CCN(C(=O)c2ccc3ccccc3c2)CC1 89361400 LOUCQVTUKCNBCM-UHFFFAOYSA-N 372.512 4.824 0 40 FJAB O=C(NOCc1ccc(C(F)(F)F)cc1)Nc1nc2ccccc2s1 96012671 YCOIPBMOLFYNRB-UHFFFAOYSA-N 367.352 4.568 0 40 FJAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 103718202 QANVZMKXMRYWGI-LJQANCHMSA-N 364.489 4.638 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)(C)C)nn1 118234496 VPBKEDDZZDIGGK-UHFFFAOYSA-N 370.840 4.643 0 40 FJAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 118935288 BWTUOEBFEPGMCK-CQDYRIEUSA-N 358.522 4.619 0 40 FJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222913823 MIKSVFIWHVRSOA-PMACEKPBSA-N 368.550 4.627 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)c1ccccc1 223832666 UOURLYACNOWSIP-UHFFFAOYSA-N 367.807 4.891 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 224320457 LUTLDOUPXSOPLC-SCZPIIQISA-N 367.489 4.892 0 40 FJAB CCOc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 225306908 AUARWTHSALVFGF-UHFFFAOYSA-N 355.478 4.544 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)s2)cc1 225869200 ARVZOBLFHOJHDQ-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB O=C(NCc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 408587099 QAYVMRGVDKEFDM-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 861830 XDADMRNUKRNNLA-UHFFFAOYSA-N 364.883 4.930 0 40 FJAB O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 998873 KBVRBQXPCGAPSV-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB CCOC(=O)c1c(C)n(CCOc2ccc(C)c(C)c2)c2ccc(O)cc12 1085412 BFGVNTPZHUBMKD-UHFFFAOYSA-N 367.445 4.528 0 40 FJAB C[C@@H](CN1CCCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698623 QZUSABKVUXHRGF-PGRDOPGGSA-N 357.925 4.892 0 40 FJAB O=C1CCCc2cc3c(cc21)CC1(C3)Cc2cc3c(cc2C1)C(=O)CCC3 1855333 AKPUCJQSLKCIIJ-UHFFFAOYSA-N 356.465 4.608 0 40 FJAB COc1ccc(C2=CN3C(=NN2)SC(C)=C3c2ccc(Cl)cc2)cc1 2270989 RUAFPLNGLDPTFK-UHFFFAOYSA-N 369.877 4.959 0 40 FJAB CCc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2447233 GLXRCHDUYNKXFQ-UHFFFAOYSA-N 361.441 4.591 0 40 FJAB O=C(O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1 2950844 YLXOKMPPDOHQPB-UHFFFAOYSA-N 362.335 4.940 0 40 FJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 3049975 TWHULCKWIHVHSN-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB O=C(CCSc1ccc(Br)cc1)Nc1ccc(F)cc1 3233375 GRKJNJLAAYCQPX-UHFFFAOYSA-N 354.244 4.709 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 3442714 SFEDDSMJBWXNQR-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(Br)o1 3473619 WAFAZKLOHMLGQM-UHFFFAOYSA-N 356.219 4.885 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(C(F)(F)F)c1 4108377 NORGTXIBXFOBPX-UHFFFAOYSA-N 359.307 4.540 0 40 FJAB Cn1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 4662534 KQSHAECLMHDNTM-VCHYOVAHSA-N 366.417 4.554 0 40 FJAB C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C12CC3CC(CC(C3)C1)C2 4699444 PWQNRZPBWABTPP-PBCAVFOPSA-N 373.365 4.717 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(C)c1 4739881 ZMUJJCVONOAZKM-UHFFFAOYSA-N 352.478 4.557 0 40 FJAB O=C(OCCOc1c(Cl)cccc1Cl)c1ccc2ccccc2n1 5848638 QMKJFIJUARXHCG-UHFFFAOYSA-N 362.212 4.777 0 40 FJAB Cc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1NC(=O)c1ccco1 5994917 RBQKAXKIGYLOHZ-UHFFFAOYSA-N 369.804 4.851 0 40 FJAB COc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(C(C)C)cc1)=N2 6077022 AMEIDMCCZSJQFC-UHFFFAOYSA-N 370.456 4.648 0 40 FJAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 6128166 DENIQUFCMAKQJV-UHFFFAOYSA-N 374.412 4.668 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccccc1O 6720782 UYTXUVRJZNSTPB-BUHFOSPRSA-N 374.827 4.915 0 40 FJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3)n2C)cc1 6963719 XKFHPQFWQBCVMV-DQRAZIAOSA-N 366.486 4.510 0 40 FJAB Cc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071599 ZMKFWAOHZWIBCJ-UHFFFAOYSA-N 370.246 4.948 0 40 FJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCc2ccccc2C1 8265126 ZHVRUXCIUZLLJY-UHFFFAOYSA-N 354.409 4.693 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2C1 8586751 WQLCRUHUSOHVMO-CYBMUJFWSA-N 358.507 4.583 0 40 FJAB Cc1ccc([C@@H](NCc2nc(-c3cccs3)no2)c2ccccc2)cc1 9516438 FQGLPSXMXMWFCT-FQEVSTJZSA-N 361.470 4.986 0 40 FJAB O=C(CCCc1nc2ccccc2s1)NCC1(c2ccccc2)CCC1 11193644 DVCWJEWHPWILCY-UHFFFAOYSA-N 364.514 4.857 0 40 FJAB COC(=O)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12326689 PMLCESWFCLWZOU-UHFFFAOYSA-N 350.414 4.612 0 40 FJAB c1ccc(C(c2ccccc2)c2nn3c(-c4ccco4)nnc3s2)cc1 12653869 WZEFPZJGEUAULW-UHFFFAOYSA-N 358.426 4.626 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 12773105 UVDJEWGYYIYCKC-VXGBXAGGSA-N 353.796 4.571 0 40 FJAB Cc1occc1-c1nnc(Sc2ncc(C(F)(F)F)cc2Cl)n1C 12798525 PPPKKAZHQCSYIE-UHFFFAOYSA-N 374.775 4.602 0 40 FJAB Cc1nn(C)c2sc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cc12 12877990 VXUAXGUONJYRKV-UHFFFAOYSA-N 368.289 4.522 0 40 FJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(Cl)cc1 12981730 WVZBJQUSPLIRQU-IBGZPJMESA-N 374.868 4.858 0 40 FJAB CCCc1cc2c(cc1NC(=O)CCCc1c[nH]c3ccccc13)OCO2 15083731 BTCWZFNLWORIAW-UHFFFAOYSA-N 364.445 4.811 0 40 FJAB O[C@H]1C2C[C@@H]3C[C@H](C2)CC1(CCC(O)(c1ccccc1)c1ccccc1)C3 18023961 VRDCOVZTKCMJMY-YTHKZRDUSA-N 362.513 4.890 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1C 20456132 RMJZBUYHNOQBKF-IBGZPJMESA-N 369.461 4.585 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 22571628 LWFSMZJAGWUUNO-UHFFFAOYSA-N 364.449 4.591 0 40 FJAB CCc1cccc2c(CNC[C@@H](c3cccs3)N3CCCC3)c[nH]c12 22753884 HESDKZQYBYCBHJ-IBGZPJMESA-N 353.535 4.719 0 40 FJAB O=c1c2scc(-c3cccc(Cl)c3)c2ncn1Cc1ccc(F)cc1 23126544 WEIIZUKAOLOSNF-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB Fc1ccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 23126586 LWDOYOFFBAAIJZ-UHFFFAOYSA-N 353.397 4.967 0 40 FJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221090 MRKUUMRIUUNSFV-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1c(F)cccc1F 36682868 KRKBHJIKIDVIAT-UHFFFAOYSA-N 370.142 4.574 0 40 FJAB C[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)N1CCCC[C@H]1C 36847559 FODGSWMIZSILCB-NEPJUHHUSA-N 360.354 4.543 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 39754921 ZMDXPJPOPVRRCN-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB COc1ccc(Nc2ccc(NC(=O)c3ccc[nH]c3=S)cc2)cc1 40033795 NUXWKFPSSPWKSH-UHFFFAOYSA-N 351.431 4.749 0 40 FJAB CCN(CC)[C@@H](CNC(=O)Nc1cccc2cnccc12)c1ccsc1 43161604 MNKBUTLAFMZVPQ-IBGZPJMESA-N 368.506 4.501 0 40 FJAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccccc1 48135828 LPBKUDBFUBYKRK-HXUWFJFHSA-N 362.498 4.640 0 40 FJAB O=C(CSCc1ccc(F)cc1Cl)N[C@H]1CCCc2ccccc21 48365595 KCMNXVBFLGIJMM-SFHVURJKSA-N 363.885 4.906 0 40 FJAB CCn1cc(-c2nc(-c3ccc(C(C)C)cc3)no2)c(=O)c2ccccc21 57354809 OZHAYLSMMBRFSA-UHFFFAOYSA-N 359.429 4.862 0 40 FJAB CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58313778 ZGDHKFREWWHQPI-MRXNPFEDSA-N 351.450 4.955 0 40 FJAB O=C(NCc1cccc2cccnc12)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 68746098 OGWVBVLVVCEEBN-ROUUACIJSA-N 370.374 4.674 0 40 FJAB COc1c(C)cnc(CSc2nnc(NC3CCCCC3)s2)c1C 78708649 DPQIQDQDJQOGPI-UHFFFAOYSA-N 364.540 4.595 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(C(F)(F)F)cc2)S1 85412210 SQMFMEIYIHDANO-ZDUSSCGKSA-N 355.385 4.662 0 40 FJAB O=c1c2[nH]cc(-c3ccccc3)c2[nH]c(=S)n1-c1ccc(Cl)cc1 101058298 MHWYBEUKRDOBCF-UHFFFAOYSA-N 353.834 4.697 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@@H](CCCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105363550 WJHCKHVBUITAAF-FIRLOTFOSA-N 351.531 4.936 0 40 FJAB biogenic CN1/C(=C2/C=NN(C)[P@]2(=O)Nc2ccccc2)C(C)(C)c2ccccc21 136438522 NQEYPKQBJYCSJW-MHUYLZCFSA-N 366.405 4.862 0 40 FJAB O=C(c1ccc(-n2cccc2)cc1)N1CCS[C@H](c2ccccc2)CC1 206986263 PTRLVIXSBVLBIW-NRFANRHFSA-N 362.498 4.798 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222606346 RVATXNVRQGXSEM-UHFFFAOYSA-N 374.227 4.711 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)s1 224388489 KINCHHFTLYXLIM-MSOLQXFVSA-N 369.490 4.768 0 40 FJAB CCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)(C)C)c1 224506627 VPTLWSUGDUNXAV-UHFFFAOYSA-N 355.478 4.712 0 40 FJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)COc1cc(C)ccc1C(C)C 224780871 QCPIOMTWWDPBPK-OAQYLSRUSA-N 367.489 4.700 0 40 FJAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 225057841 QNCKUXCSKUDOPY-LBPRGKRZSA-N 365.524 4.568 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)CCSc3ccc(C)cc3)ccc21 225077350 LJBLHWXCJWUEKT-UHFFFAOYSA-N 372.515 4.512 0 40 FJAB CC(C)Oc1cccc(NC(=S)NCCCSCc2ccco2)c1 225594847 ZKSUXUCCKGGTQD-UHFFFAOYSA-N 364.536 4.677 0 40 FJAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccccc1Cl 226287687 SBSIFYZZTNDVRK-UHFFFAOYSA-N 362.816 4.753 0 40 FJAB O=C(c1ccccc1F)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257231380 GGLRZABZRIMSRO-IBGZPJMESA-N 368.383 4.521 0 40 FJAB CC(C)[C@H](C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)c1cccnc1 684770189 OCIBMQJDZOJBGR-HKUYNNGSSA-N 358.869 4.505 0 40 FJAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 663673 PZCOPFAMPUKTAH-VBEHJTROSA-N 370.836 4.615 0 40 FJAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCC)cc1 949554 NGBFGGWOXZJEHZ-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB CCCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 1372458 NXFDSCDNERGQQL-UHFFFAOYSA-N 369.468 4.647 0 40 FJAB CC(C)OC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 1377455 MCPDROOIEYJRHM-UHFFFAOYSA-N 364.536 4.737 0 40 FJAB COc1cc2c(cc1OC)C1=Cc3cc(OC)c(OC)cc3[C@H](C)N1C=C2 1634801 HXRVLYCRGOAIRA-ZDUSSCGKSA-N 365.429 4.580 0 40 FJAB O=C(COc1ccccc1)Nc1nc2c(Cl)cc(Cl)cc2s1 2713986 VYPPDWJLNTVTTR-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c1 2723094 FRKOTHDSTDBCNS-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB O=C(COc1ccc(Cl)cc1)OCc1csc(-c2ccccc2)n1 3223748 DNPFOYOLMLQTRY-UHFFFAOYSA-N 359.834 4.586 0 40 FJAB S=C(NC1CCCCC1)N(CCc1ccccc1)CCc1ccccc1 3306921 YMCDMXDIGIITIJ-UHFFFAOYSA-N 366.574 4.981 0 40 FJAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3401485 JIIARUZIGHEUAX-GOSISDBHSA-N 367.449 4.677 0 40 FJAB COc1cccc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 3415361 QDQDLOYVBYKZGR-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1 3655311 QSFGRWSEUHNILT-UHFFFAOYSA-N 351.402 4.657 0 40 FJAB CCCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033256 QRMNBRPDSLPCLR-HNNXBMFYSA-N 367.880 4.929 0 40 FJAB Cc1cccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)c1 4120143 NHLNJZJHIKHBNP-UHFFFAOYSA-N 362.857 4.533 0 40 FJAB Cc1ccc(C)c(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)c1 4372214 QHGMXMMBZIWFEH-UHFFFAOYSA-N 353.491 4.584 0 40 FJAB Cc1noc(C)c1CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 5269861 YTCKKRWJOAKORG-UHFFFAOYSA-N 369.471 4.549 0 40 FJAB Cc1ccc(-c2cc(NC(=O)CSc3ccc(F)c(F)c3)on2)cc1 5565416 OULNBYCGNJDZTK-UHFFFAOYSA-N 360.385 4.659 0 40 FJAB Cc1cc2nnc(SCCCOc3ccc(F)cc3)n2c2ccccc12 5884753 ZGMURTHOARWNRH-UHFFFAOYSA-N 367.449 4.891 0 40 FJAB CCCCN1CN(CCc2cccc(Cl)c2)Cn2c1nc1ccccc12 6550701 BWOIVGVHWWPUQJ-UHFFFAOYSA-N 368.912 4.770 0 40 FJAB CCCOc1c(OCC)cccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886162 TVHSFKLUGBTVMS-NRFANRHFSA-N 366.461 4.603 0 40 FJAB COc1ccc(-c2nc(C(=O)N(C)[C@H](C)c3ccccc3)cs2)cc1 8404850 WMNHQWPXRUYJAS-CQSZACIVSA-N 352.459 4.652 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)CCCc1nc(-c2ccccc2)no1 9478611 AXUGCWPUBXUQON-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1Cc2ccccc2O1 10109621 SLWHJTSFIBHCRQ-LJQANCHMSA-N 372.449 4.906 0 40 FJAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10276692 NPBZTEQZAGCKGD-AWEZNQCLSA-N 365.926 4.818 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)s1 12590566 PTUUTIXMPPILLP-QAPCUYQASA-N 372.509 4.981 0 40 FJAB CCCCCc1nc2ccccc2n1CC(=O)N1c2ccccc2C[C@H]1C 12604341 ACLOWWYOGXAZLD-QGZVFWFLSA-N 361.489 4.747 0 40 FJAB Cc1cccc(-n2c(=S)n(CN3C[C@H](C)O[C@H](C)C3)c3ccccc32)c1 12620084 RKFZPANQLWGBCO-CALCHBBNSA-N 367.518 4.537 0 40 FJAB COc1ccc(OCCSCCCC(=O)Nc2c(C)cccc2C)cc1 12933901 RQNOGLVLQUPHMM-UHFFFAOYSA-N 373.518 4.843 0 40 FJAB CCCOc1ccccc1/C=C1\C(=O)Nc2ccc(Br)cc21 15016065 ZJAIIHFYKVZZAL-GDNBJRDFSA-N 358.235 4.731 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 15577528 SPJCEHFDTRZQIS-UHFFFAOYSA-N 369.852 4.832 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc1C 15832377 OACKPHPTKPFNAD-INIZCTEOSA-N 366.486 4.511 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 20897345 ZUWRHXXRXZHLHE-CQSZACIVSA-N 358.507 4.717 0 40 FJAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(Cl)cc2c1OCOC2 23355429 ZXMUAGMCRUMJFC-LLVKDONJSA-N 353.796 4.678 0 40 FJAB c1coc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)c1 24258965 JCKWUSWCYGAIIB-AWEZNQCLSA-N 366.446 4.667 0 40 FJAB CSc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2Br)cc1 27162126 QKOWWUGWGNDJLJ-SNVBAGLBSA-N 368.271 4.801 0 40 FJAB Cc1nc(CCNC(=O)c2sc3cc(Cl)ccc3c2Cl)cs1 27992781 ZCXHXBDROGMYES-UHFFFAOYSA-N 371.314 4.946 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1OC 36394083 UAJOAUANTCSIPO-LLVKDONJSA-N 368.260 4.810 0 40 FJAB Cc1ccc(C(=O)C2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)c(C)c1 40086190 XUTXKLKSXLXRLW-INIZCTEOSA-N 369.509 4.640 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 40096077 QEOUZQBRDQJWBU-NSHDSACASA-N 365.355 4.547 0 40 FJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)c1ccccc1 40142958 KMSRMVQPWHXZBY-UHFFFAOYSA-N 368.433 4.725 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl 59317886 PILVTIPIAHQSKF-QGZVFWFLSA-N 371.908 4.897 0 40 FJAB CC(C)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 72328895 YDHQEOPVSJTJFM-UHFFFAOYSA-N 353.853 4.784 0 40 FJAB Nc1ccc(Br)cc1-c1nc2c(Cl)ccc(Cl)c2[nH]1 73634805 HWUCFYQSHVYQEU-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc(C(C)(C)C)cc1)n2C 90470618 OJKGERKDFIVRER-LSDHQDQOSA-N 368.502 4.677 0 40 FJAB Cc1cnc([C@@H](C)CNC(=O)c2ccc(SC(F)(F)F)cc2)s1 96014062 ZMAZBDIGGIIBNZ-VIFPVBQESA-N 360.426 4.597 0 40 FJAB CCCCOc1ccc(NC(=O)NC[C@@H](OC)c2cccc(F)c2)cc1 96388904 FUVJLZMQWSKOBP-LJQANCHMSA-N 360.429 4.514 0 40 FJAB CCOc1ccc(C2=C[C@H](c3ccccc3F)n3ncnc3N2)cc1Cl 102799279 UHAYCKQTFHHMRO-QGZVFWFLSA-N 370.815 4.525 0 40 FJAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccn(-c2c(F)cccc2F)n1 153450814 WHPHWEIMTNXZEY-UHFFFAOYSA-N 371.387 4.540 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2)n1 223256009 XWUFACKRZMOLGP-GOSISDBHSA-N 373.500 4.528 0 40 FJAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c3c(cccc13)CC2 224173010 PRSSHVLGYPXFBX-UHFFFAOYSA-N 357.862 4.534 0 40 FJAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224316155 WWWQYAVGVIUCGJ-UHFFFAOYSA-N 363.457 4.909 0 40 FJAB CCCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2C)c1 224605896 QMUBTLYBVBYQQM-UHFFFAOYSA-N 355.478 4.729 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)C3(c4ccccc4)CCCC3)s2)cc1 225168075 BINQLSCKKRPNER-UHFFFAOYSA-N 363.486 4.964 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225262396 XVTSRSORHIPOLO-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225596981 DAXQZTJSXTZCFM-HDICACEKSA-N 358.526 4.562 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C(F)(F)F)c1 225696045 TZXCTTZCHULPGK-SFHVURJKSA-N 365.395 4.796 0 40 FJAB CCOC(=O)c1cc(NC(=S)NC2(C(C)C)CCCC2)ccc1Cl 225866306 NQOVAUXKTHUEBF-UHFFFAOYSA-N 368.930 4.772 0 40 FJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccccc1OC 954332 DAQBBUOTAAGJGF-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)CC)cc12 1322873 QQVGJDOMCSUTGW-UHFFFAOYSA-N 368.385 4.601 0 40 FJAB biogenic Cc1ccccc1OCCSc1nnc(NCc2ccccc2)s1 2619906 ABOLWAXBSYKHNW-UHFFFAOYSA-N 357.504 4.630 0 40 FJAB CCOC(=O)c1cc(-c2cc3ccccc3o2)nn1-c1ccc(F)cc1 3264565 VIEJAXPHLPAMDR-UHFFFAOYSA-N 350.349 4.601 0 40 FJAB C[C@H](c1ccco1)N(C(=O)COc1ccc(Cl)cc1)c1ccccn1 3279975 JUQOSMVYQBKHMQ-CQSZACIVSA-N 356.809 4.501 0 40 FJAB CCc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)c1 3895863 AWOREVCQXQZGBZ-NLPFYKDJSA-N 358.526 4.545 0 40 FJAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 4176594 QDSLIUCJTRZEPL-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC(C)C)cc1 4176831 CSFUXCRLGFMWBB-UHFFFAOYSA-N 369.442 4.727 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1 4356372 GLITZEGJWLYSBN-UHFFFAOYSA-N 367.449 4.630 0 40 FJAB Cc1nnc(SCc2ccccc2CSc2nnc(C)s2)s1 4520333 RCCVYJHLDSADMV-UHFFFAOYSA-N 366.562 4.591 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2ccc(C)cc2)cc1 6820201 XVPLQEXBQGXKRW-OAHLLOKOSA-N 351.475 4.556 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1F 8395205 QBNSDTOEGLBBAR-UHFFFAOYSA-N 352.843 4.845 0 40 FJAB COc1ccccc1-c1nc(COC(=O)c2cc3c(s2)CCC3)cs1 9070498 UQURFXVAFIJNSA-UHFFFAOYSA-N 371.483 4.726 0 40 FJAB O=C(CCSc1ccccc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 9337937 XWCDXCVYDMVLLU-KRWDZBQOSA-N 369.465 4.548 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 9885209 VCOYZMYWRCKJGX-LNENJAERSA-N 369.486 4.595 0 40 FJAB COc1cc(OC)cc(C(=O)N2c3c(OC)cccc3C(C)=CC2(C)C)c1 10157734 XHAJYUJIIZUPJQ-UHFFFAOYSA-N 367.445 4.555 0 40 FJAB Cc1ccc(SCCCC(=O)Nc2nnc(-c3cccs3)o2)cc1 10217929 RDQOFUJICDUQNR-UHFFFAOYSA-N 359.476 4.618 0 40 FJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC(C)(C)C)n2)cc1 12441865 ZOLSDSOHWIUQKN-UHFFFAOYSA-N 368.506 4.987 0 40 FJAB COc1ccc(-c2cnc(-c3ccccn3)nc2-c2ccc(OC)cc2)cc1 12952408 HRYSVPNOJCHVCF-UHFFFAOYSA-N 369.424 4.890 0 40 FJAB Oc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 19328403 PYINUCFIFKMXFL-UHFFFAOYSA-N 358.485 4.799 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 20450330 ARPYKCQEVDERKO-KRWDZBQOSA-N 352.478 4.567 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1OC 22515682 KYDQUWHEOIUKOW-AWEZNQCLSA-N 354.233 4.798 0 40 FJAB O=C(c1csc(-c2ccsc2)n1)n1cccc/c1=N\C1CCCCC1 22533498 SDHICHKLLPIZIY-LVZFUZTISA-N 369.515 4.595 0 40 FJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CC(C)(C)C)CC2 24447339 JZFOPAYKXYSMSM-FQEVSTJZSA-N 373.518 4.676 0 40 FJAB CCOc1ccc(-c2c[n+](-c3ccc(C)cc3)c3n2CCCS3)cc1 26441534 FQDJHSIKNLFIOF-UHFFFAOYSA-N 351.495 4.635 0 40 FJAB Cc1noc(C)c1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29013216 DSLZWQFMNXRWCF-UHFFFAOYSA-N 367.352 4.686 0 40 FJAB Brc1cc(CN[C@H](c2ccccc2)c2ccccn2)cs1 30544721 QPWJQLBXYMOIRO-QGZVFWFLSA-N 359.292 4.785 0 40 FJAB Fc1ccccc1CN[C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 34086982 HSBAYIHQSCXMDL-ZCYQVOJMSA-N 374.503 4.974 0 40 FJAB O=C(Nc1ccccc1Cl)Nc1ccccc1NC(=O)c1ccccn1 38678818 QNWUQPQKIHLKSC-UHFFFAOYSA-N 366.808 4.631 0 40 FJAB Cc1ccccc1-c1noc(CN(C)[C@@H](C)c2nc3ccccc3s2)n1 50273908 FGYHBVXBYKYESD-AWEZNQCLSA-N 364.474 4.848 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 67190090 BXCYPZQYMMHTAS-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2-c2ccccc2)c1 69589704 CSQAXJUKHZSPGG-MRXNPFEDSA-N 361.441 4.862 0 40 FJAB CC(C)n1ncc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cnc21 71887454 HICOWYFDXDJOBT-SFHVURJKSA-N 368.868 4.547 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357743 MNOIKIXVAKPTLY-QHCPKHFHSA-N 374.459 4.718 0 40 FJAB Cc1ccc(-n2ncc(C(=O)Nc3cccnc3C)c2C2CC2)cc1Cl 73348682 AQEUKSUMROJQNH-UHFFFAOYSA-N 366.852 4.667 0 40 FJAB C[C@@H](Cc1nc2ccccc2s1)Sc1nnc(-c2cccs2)n1C 79024281 XJCCOTGCJRQIDY-NSHDSACASA-N 372.544 4.877 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1)c1ccc(OC)cc1 113970632 KFZMSYUCNDXCLS-LEWJYISDSA-N 355.478 4.737 0 40 FJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=C(C(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C 118934963 GBQYYMYMCZFUMS-SPHVDITISA-N 360.494 4.582 0 40 FJAB Cc1nc2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2s1 206945712 QBSFSFOAXAOEPI-UHFFFAOYSA-N 365.483 4.658 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223228035 ZLVLXDAAPPDQMA-JLTOFOAXSA-N 357.881 4.864 0 40 FJAB O=C(CSCc1c(Cl)cccc1Cl)NCCc1ccc(F)cc1 223443158 GGPJDXZFADVKNK-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB O=C(CCc1ccccc1Cl)NCCOc1ccc2ccccc2c1 223630109 ZNQMGJYNLCGAJS-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccc(Cl)cc1Cl 224177560 YEPDINZSAZVQQT-LBPRGKRZSA-N 352.327 4.629 0 40 FJAB CCCCCNC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1 224388483 TZYVHHOHJUXFMF-UHFFFAOYSA-N 355.478 4.893 0 40 FJAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1C 225863928 IAXHXVYAMPAAEX-UHFFFAOYSA-N 372.490 4.521 0 40 FJAB O=C(CCc1ccccc1Br)NCc1ccc(-c2ccco2)o1 618255423 PDLKWBWKFUPALU-UHFFFAOYSA-N 374.234 4.551 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 721124 HKCMEFNDXKBXCZ-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB CN(C)C[C@@H]1CCCC[C@H]1[C@]1(O)c2ccccc2CSc2ccccc21 721937 DYOKEZUEHYQWMK-GWJPWWOOSA-N 367.558 4.896 0 40 FJAB Cc1ccc(-n2c(SC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 2375698 BVTZAOJMIOYANV-UHFFFAOYSA-N 372.449 4.627 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1C 2919753 LZNVQBRDZXFMNM-DLBZAZTESA-N 356.832 4.834 0 40 FJAB Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3ccccc3s2)n1 3264484 XZBQKSWPTJPOFM-UHFFFAOYSA-N 368.849 4.696 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 3356568 SKRQQQOLSBSWGH-UHFFFAOYSA-N 357.816 4.842 0 40 FJAB CC(C)(C)c1cc(-c2nnc(S)n2-c2cc(Cl)cc(Cl)c2)[nH]n1 4625891 OZPGFOZATVQTPY-UHFFFAOYSA-N 368.293 4.550 0 40 FJAB COCCSc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 4649123 FJSYRCPXOMYSEU-UHFFFAOYSA-N 356.274 4.984 0 40 FJAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)C2CC2)c2ccccc2)C[C@H]1C 4988699 YHQOCNJBYYNROU-IERDGZPVSA-N 362.473 4.706 0 40 FJAB O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1ccc(F)cc1 5478337 SQOFCSAJQWAUSB-UHFFFAOYSA-N 374.367 4.742 0 40 FJAB Cc1cc(C)cc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1 5485275 UPFPYHOIGCWRPY-UHFFFAOYSA-N 361.441 4.563 0 40 FJAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCCCC[C@H]12 5766927 PLKOGXQBDGYGAR-KGOITJQVSA-N 360.108 4.844 0 40 FJAB Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@@H](C)S[C@@H]2c1cccs1 6679154 NVBRQBVUDMPFAK-CXAGYDPISA-N 369.515 4.714 0 40 FJAB COc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)cc(OC)c1 6790601 HATBKGUTPQWGKP-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1nn(C)c(C)c1Nc1ncnc2scc(-c3ccc(F)cc3)c12 7337594 VWTCVFZQCIIDKZ-UHFFFAOYSA-N 353.426 4.591 0 40 FJAB CC[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1 7977117 WLQZNKYRAPLKEJ-IBGZPJMESA-N 372.306 4.748 0 40 FJAB COc1ccc(CCNCc2cccc(OCc3ccc(F)cc3)c2)cc1 8474476 FCTHMRKAPZUYJA-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB CC(C)(C)c1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9233313 QMPLIASJNJZHJG-CQSZACIVSA-N 370.880 4.629 0 40 FJAB COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OC1CCCCC1 12419212 NMPFRSIPLRMYMK-OAHLLOKOSA-N 357.475 4.942 0 40 FJAB Clc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1Cl 12650556 CGEHRXYRLXIPCD-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB Cc1ccc(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1 12769523 OWYSDBYCVNFZPR-QGZVFWFLSA-N 365.376 4.628 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)cc1 12890365 ATHDVEPRTVMTMQ-QGZVFWFLSA-N 365.351 4.571 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)CCSc1ccc(Cl)cc1 13038612 LJECMSJTJNQGFA-UHFFFAOYSA-N 362.926 4.619 0 40 FJAB Cc1cc2nc([C@@H]3CCCN(C(=S)Nc4ccccc4)C3)[nH]c2cc1C 13471840 DASSENWWRORQQU-MRXNPFEDSA-N 364.518 4.756 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14399350 NJOCBCFFUDVCLE-ZWKOTPCHSA-N 353.506 4.889 0 40 FJAB O=C(NC1CC1)[C@@H](Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 15462314 CZKMGPISIATBJM-QFIPXVFZSA-N 358.441 4.911 0 40 FJAB O=C(Cc1ccccc1F)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22527417 OOPIOLNBKMUVOH-XSTIVXOKSA-N 371.455 4.782 0 40 FJAB C[C@@]1(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1(Cl)Cl 23042324 NCBSALSPYGDOAZ-ZFWWWQNUSA-N 358.265 4.677 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3cc4ccccc4[nH]3)sc2C)cc1 24979102 TYTADTLHWLKUJP-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(-c2ccccc2F)on1 30039231 OFBYSCMOVAOOFZ-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB CN1CCc2ccccc2[C@@H]1Cc1cc(OCc2ccccc2)ccc1N 31938931 GWIOQTCSMPBYMC-DEOSSOPVSA-N 358.485 4.620 0 40 FJAB CCN(C(=O)Cc1ccc(-n2cccc2)cc1)c1nc2ccccc2s1 33166244 SOOWHIABPKWXGA-UHFFFAOYSA-N 361.470 4.683 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 33325952 ZFYRKCYNMSHNCR-INIZCTEOSA-N 356.878 4.856 0 40 FJAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 33921337 MFTFWJXPAXCVHS-YBEGLDIGSA-N 358.850 4.754 0 40 FJAB CN(C(=O)c1cc2ccccc2oc1=O)C(c1ccccc1)c1ccccc1 36751218 DUCLQDSZWROQKP-UHFFFAOYSA-N 369.420 4.655 0 40 FJAB CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 39860633 LWEAJUGCUYUTMT-YBEGLDIGSA-N 359.834 4.980 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 43281567 STWSLJISJMPXQC-LJQANCHMSA-N 356.441 4.863 0 40 FJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)cc1C 44470819 DNOCHIOZQLTHJQ-MRXNPFEDSA-N 368.477 4.791 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(Cl)cc1Cl 44836898 FOAKHXBOEDFJMP-KRWDZBQOSA-N 352.261 4.776 0 40 FJAB c1ccc(COc2ccc(CSc3nnc(-c4ccco4)o3)cc2)nc1 58202930 YGHOPCFBRPOPFA-UHFFFAOYSA-N 365.414 4.596 0 40 FJAB Brc1ccc2nccc(N3CCO[C@@H](c4ccccc4)C3)c2c1 58243984 MGOJVVIDDBKTJH-LJQANCHMSA-N 369.262 4.575 0 40 FJAB in-vitro CN(CCOc1ccccc1F)C(=O)c1cc2c(ccc3ccccc32)[nH]1 58393693 RZEALYZMASPADS-UHFFFAOYSA-N 362.404 4.611 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351971 NTLCMANHGMGDCC-LIRRHRJNSA-N 361.869 4.692 0 40 FJAB C[C@@H]1CCCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 65499539 VRIYLULYSXUETK-MRXNPFEDSA-N 350.437 4.701 0 40 FJAB O=C(N[C@H]1CCc2ccccc2C1)c1sccc1-c1ccc(F)cc1 65835863 PGTXICIFDKSSBI-SFHVURJKSA-N 351.446 4.842 0 40 FJAB C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1csc(-c2ccsc2)n1 75107436 AKVTVCROHKQUPM-KSSFIOAISA-N 368.527 4.819 0 40 FJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1)N1CCCCC1 95471175 FAZMUOZTYBXWOC-UHFFFAOYSA-N 363.436 4.612 0 40 FJAB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102622431 BPXBLALYCPDREW-LAUBAEHRSA-N 356.429 4.652 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C[C@@H]1c1ccccc1F 104490693 BITHJRXCCJZHMN-PBHICJAKSA-N 370.811 4.728 0 40 FJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc(-c2ccco2)on1 206898277 UJZHUPYJIHBQLE-UHFFFAOYSA-N 370.368 4.502 0 40 FJAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)s1 223104248 VVEOEUSTZCNVHG-LBPRGKRZSA-N 373.503 4.598 0 40 FJAB CC(C)c1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224266066 JQNCKDFGJZVWGI-UHFFFAOYSA-N 369.505 4.682 0 40 FJAB CCCc1ccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 225193851 RISGLGFPNPBWFG-UHFFFAOYSA-N 369.505 4.645 0 40 FJAB C[C@H](COc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1 225339639 KUCCHNQWHFUNSV-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(C(C)C)cc3)n2)c1 225814351 ZTXULABJBVGZMA-UHFFFAOYSA-N 366.490 4.655 0 40 FJAB CC(C)Oc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225867202 IIEFHKMJBJGNFX-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(F)cc1 408700128 YZKRMJMMHYZGNI-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@@](O)(c2ccc(F)cc2)C1 1616691725 QRXVMMUPDDXBRU-SGTLLEGYSA-N 354.252 4.787 0 40 FJAB Cc1nc(N2CCCCCC2)c2sc(=S)n(-c3ccccc3)c2n1 1075161 JGWISONBMYBWAS-UHFFFAOYSA-N 356.520 4.900 0 40 FJAB CCCc1nnc(NC(=O)c2ccccc2CCc2ccccc2)s1 1425958 PSYCVAKYNGWELU-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB O[C@@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc12)[C@@H]1CCCCN1 1683268 YVTAGCVIOXWKOW-FPOVZHCZSA-N 352.865 4.731 0 40 FJAB CC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 2373510 WQQYHTIHBMVFMA-UHFFFAOYSA-N 356.472 4.538 0 40 FJAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl 2644629 VLJAPHOLSLZJCF-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CCCC1 3296059 MXJZSDKTVXVZCU-KRWDZBQOSA-N 359.470 4.803 0 40 FJAB Cc1csc2nc(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)cn12 4249060 JHOBDQXHNODIFT-UHFFFAOYSA-N 369.396 4.902 0 40 FJAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 4713865 PPASLIHIRGXNPD-WQRHYEAKSA-N 352.459 4.718 0 40 FJAB C[C@H]1CCCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)C1 4980620 SOQWGLANVNQREA-HNNXBMFYSA-N 364.468 4.651 0 40 FJAB CC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 5227648 KIRYRKDWMLGRKN-UHFFFAOYSA-N 371.893 4.967 0 40 FJAB CCCC(=O)N(Cc1ccccc1)c1nc2c(OC)ccc(C)c2s1 5299753 GZBZBTKSSKBKKG-UHFFFAOYSA-N 354.475 4.947 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CCC2)c1 6372864 GEFRPJWHSSFYOL-UHFFFAOYSA-N 362.351 4.696 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(C)c(C)c2)n1 6551032 SEYAXTQBTKXDKC-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB CN(C)Cc1ccc([C@@]2(O)c3ccccc3CSc3ccccc32)cc1 6637780 DMVZIBMGJAPFSA-HSZRJFAPSA-N 361.510 4.638 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCc2nc(-c3cccs3)no2)n1 7625038 PZHJEJNLGNJVTH-UHFFFAOYSA-N 366.471 4.856 0 40 FJAB Cc1ccc(C)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 8104916 HZXUCPVXUSAGAN-INIZCTEOSA-N 350.487 4.933 0 40 FJAB COc1cccc(CN(C)C(=O)Cc2coc3ccc4ccccc4c23)c1 8374850 IHLHEOHSCKLEGU-UHFFFAOYSA-N 359.425 4.796 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NC(=O)C2CC2)s1 8744825 OCSQAIQXECFDRY-UHFFFAOYSA-N 355.246 4.656 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(Br)cc1Cl 9141835 AXKXJFYXJVTACF-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCC(CCc2ccc(O)cc2)CC1 10383178 GLTWYVRSTHARCN-UHFFFAOYSA-N 358.869 4.922 0 40 FJAB CCC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c1 11867858 YNQXGZYEHVBMAG-UHFFFAOYSA-N 365.410 4.694 0 40 FJAB biogenic CCOc1ccc(NCc2cc3cc(CC)ccc3[nH]c2=O)c(OCC)c1 12144340 VGJAFBHOXNXWBB-UHFFFAOYSA-N 366.461 4.500 0 40 FJAB COc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)cs2)c1OC 12821642 BZLCTIOMWDKSNP-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB COc1ccccc1NC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 12985407 NXLINGGIXDQRMA-IBGZPJMESA-N 352.459 4.976 0 40 FJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)c(C)c2)cs1 12986554 LCKASMHBIKNBCY-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)cc1 13751650 HDSQGPXQMQIOBF-SFHVURJKSA-N 361.489 4.911 0 40 FJAB COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(F)c1 14085526 IERYRBMOMOSBDF-UHFFFAOYSA-N 363.432 4.786 0 40 FJAB COc1ccc(CN[C@H](Cc2cccs2)c2nccs2)c(C)c1C 19577414 GFJUAOMHOCTTKM-QGZVFWFLSA-N 358.532 4.904 0 40 FJAB Cc1noc(C)c1COc1ccc(C(=O)NCCCC2CCCC2)cc1 23056945 DVWLQVQWSTWAEF-UHFFFAOYSA-N 356.466 4.571 0 40 FJAB COc1cc(C)c(Nc2nc(-c3ccncc3)nc3ccccc23)cc1OC 24040871 VNZZFEPRRHHXHM-UHFFFAOYSA-N 372.428 4.761 0 40 FJAB CSc1nc2ccccc2n1C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 27023478 VGBMWUXCHDPMGQ-ZANVPECISA-N 355.290 4.990 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)s1 27344151 PJIPDNVPIFDOKD-CQSZACIVSA-N 369.317 4.622 0 40 FJAB Nc1c(-c2nc3ccccc3s2)c2ccccn2c1C(=O)c1ccco1 28047613 HAFOLYNHTOGEFY-UHFFFAOYSA-N 359.410 4.622 0 40 FJAB Cc1ccc2nc(NC(=O)c3nc(-c4ccco4)sc3C)sc2c1 29245322 ZQCQFOWFHYVADZ-UHFFFAOYSA-N 355.444 4.882 0 40 FJAB Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cs1 29515863 PENYAYLLXUPDIP-HABDOHHLSA-N 370.518 4.548 0 40 FJAB CCN(CC)[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 31992654 QLRBJDHXOYWLGK-LJQANCHMSA-N 368.502 4.821 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCc2cccnc2)cc1 32062850 PIHSEXPIROFVTI-UHFFFAOYSA-N 356.784 4.705 0 40 FJAB CCCC[C@@H](CC)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl 32611657 ZOXVIXPSUHPSEE-CYBMUJFWSA-N 351.853 4.879 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 32760423 KAJJNXCQVYYIOI-FQEVSTJZSA-N 350.462 4.730 0 40 FJAB Cc1ccccc1NC(=O)CSc1nc(C(C)C)nc2ccccc12 35290910 UKIWADRKEGWZQR-UHFFFAOYSA-N 351.475 4.792 0 40 FJAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccc(F)cc1 36358179 UWSMIJDWKSKWQH-QGZVFWFLSA-N 365.408 4.922 0 40 FJAB O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)CS1 36633776 HSSKSVPNLGENDD-INIZCTEOSA-N 355.850 4.756 0 40 FJAB CCCCc1nc(CN(CCC)CC(=O)Nc2ccccc2C)cs1 40158344 LGRVNFJBDLLZLZ-UHFFFAOYSA-N 359.539 4.645 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(C)cc1 44085488 FUWZJDLIZBGYBZ-UHFFFAOYSA-N 352.459 4.503 0 40 FJAB CCOCc1ccccc1CNC(=O)Nc1cccc(Cl)c1Cl 48346114 JBXFUCJSHGIFLI-UHFFFAOYSA-N 353.249 4.852 0 40 FJAB COCCN(Cc1csc(-c2ccc(C)o2)n1)[C@@H](C)c1ccccc1 58298052 PYXBFWXMJOEIHO-INIZCTEOSA-N 356.491 4.921 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230100 ILLBMIOLWMWBJR-WAEYIKQSSA-N 353.805 4.667 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C 72272857 VBLZVNNAKXXYRG-RTBURBONSA-N 373.924 5.000 0 40 FJAB C[C@@H](NC(=O)[C@@]1(C)CCCc2ccccc21)c1ccc(-c2cncnc2)cc1 73248847 GGUHJRPHHQNLRK-OSPHWJPCSA-N 371.484 4.615 0 40 FJAB COc1cc(NC(=O)c2cccc3c2ccn3C(C)C)cc(OC)c1OC 95472857 BIBVQXCECXZXJP-UHFFFAOYSA-N 368.433 4.500 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)CCSc2ccccc2)cc1 223417331 CEADQBANHXRZRQ-UHFFFAOYSA-N 357.519 4.662 0 40 FJAB Cc1cccnc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 223914685 CLWXCZTVYYWVNX-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)s1 224420035 YUYQFQZICXFDLM-MSOLQXFVSA-N 369.490 4.768 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 225175486 CHSUESIARXBWGM-UHFFFAOYSA-N 361.854 4.941 0 40 FJAB C[C@H](CCc1ccccc1)NC(=S)Nc1nccc(-c2cccs2)n1 225186100 RVTOZJSERSTAOV-CQSZACIVSA-N 368.531 4.513 0 40 FJAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(F)cc2F)cc1 225568865 LVABGQZTGMTTDD-UHFFFAOYSA-N 364.461 4.671 0 40 FJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2[C@H](C)CC)CC1=O 408650286 ASEUPBINBGMJIU-AEFFLSMTSA-N 365.473 4.721 0 40 FJAB CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)c(F)c2)S1 1323665 WYRXXJRJGWLOSN-UHFFFAOYSA-N 361.417 4.885 0 40 FJAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1nc(-c2ccccc2)cs1 1415853 QZZOWEAVGQTUJD-UHFFFAOYSA-N 374.469 4.930 0 40 FJAB CCCC(CCC)C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 4033179 KHPCGFXTDMJATA-UHFFFAOYSA-N 350.466 4.860 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C(C(=O)O)C[C@]4(C)[C@H]3CC[C@]12C 4743118 GBQYYMYMCZFUMS-WZYQIZRJSA-N 360.494 4.582 0 40 FJAB O=C(N/C(=C\c1cccs1)c1nc2ccccc2[nH]1)c1cccs1 4811845 LJKYYPOJNJNYKB-PTNGSMBKSA-N 351.456 4.614 0 40 FJAB Cc1ccc(NC(=O)Cc2coc3cc(C)ccc23)c(Br)c1 5454866 WRZRMOMHMSTVPN-UHFFFAOYSA-N 358.235 4.993 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(-c4cccs4)o3)n2)cc1 5474280 DWHMGZYWBMUEQG-LLVKDONJSA-N 369.475 4.745 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)Nc1ccccc1C(F)(F)F 5718123 JMFGJBCBJKUPLA-UHFFFAOYSA-N 352.312 4.526 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccccc1Br 6053117 JFFCFSZLSRTXBM-UHFFFAOYSA-N 356.219 4.620 0 40 FJAB O=C(OCc1nc2ccccc2s1)c1ccc(COc2ccccc2)o1 6125265 YIRSSMHXHSUEJK-UHFFFAOYSA-N 365.410 4.825 0 40 FJAB Cc1cccc(-c2noc(CNC(=O)c3ccc(-c4ccccc4)cc3)n2)c1 7721197 BPDIKKNIRUWDKF-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 7922120 XLQDKYPDFHBTRJ-OAHLLOKOSA-N 353.491 4.545 0 40 FJAB FC(F)(F)c1cc(-c2ccc(CNC[C@H]3CCCO3)o2)ccc1Cl 7986239 QKVBNLVRZOTSQC-GFCCVEGCSA-N 359.775 4.887 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1cccc(C)c1 8041380 KKANVOQJTYFGEC-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)Nc1cccc2cccnc12 12694353 JYQLAXPCEVKIJE-UHFFFAOYSA-N 354.409 4.919 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(Br)c[nH]1 12894705 OPIGLNZBXWEOKP-UHFFFAOYSA-N 353.219 4.601 0 40 FJAB Fc1ccc(CN(Cc2cccnc2)Cc2c[nH]nc2-c2ccccc2)cc1 13569172 YPRBYBITJQWCFP-UHFFFAOYSA-N 372.447 4.813 0 40 FJAB O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2)[nH]1 13637068 RPENKEVJVBAZRW-UHFFFAOYSA-N 361.829 4.598 0 40 FJAB C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 14564899 ABVMREZJRDOHAU-HNNXBMFYSA-N 362.404 4.569 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(F)cc2)cc1 18094150 CKVFSNIDYNVDDA-HNNXBMFYSA-N 356.441 4.943 0 40 FJAB Cc1c(C(=O)C(F)(F)F)c(-c2cccs2)nc2cc3c(cc12)OCO3 24513194 DUEZNWQDHQHWEN-UHFFFAOYSA-N 365.332 4.745 0 40 FJAB CCOc1ccc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1 27990562 IVYNBORYADNCOI-UHFFFAOYSA-N 371.443 4.664 0 40 FJAB CCOc1ccc(CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 28250339 UNERGWOGEASYDE-UHFFFAOYSA-N 359.495 4.556 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NCc2cc(Br)cs2)cc1 30641127 RHKLRSPLSCNVFX-NSHDSACASA-N 367.312 4.710 0 40 FJAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 30860666 HRUNPFCAHFZHIC-OAHLLOKOSA-N 357.519 4.962 0 40 FJAB Cc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 33262426 PTXZSHHGOXMYCY-UHFFFAOYSA-N 360.442 4.794 0 40 FJAB CC(C)CN1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 35425512 ASPNREICVDRVDX-SFHVURJKSA-N 370.497 4.636 0 40 FJAB biogenic,in-vitro CN(C)c1c(Cl)cccc1NC(=O)NCCSCc1cccs1 58086245 OEGIDUNBVOOBOF-UHFFFAOYSA-N 369.943 4.522 0 40 FJAB CN(CCc1ccc2c(Br)ccc(O)c2n1)C1CCCCC1 59474714 QEYVDIDTWNYUJV-UHFFFAOYSA-N 363.299 4.510 0 40 FJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccccc1N(C)c1ccccc1 65044836 NAXAVVLJDJWUAW-UHFFFAOYSA-N 370.456 4.603 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c(F)c1 67296353 OJBIHUWBIAVXKF-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1C 79110539 VPBZYFHOLLYAKS-SFTDATJTSA-N 360.461 4.550 0 40 FJAB COC(=O)c1ccc2c(c1)CCCN2Cc1cc(Cl)cc2cccnc12 83895854 FJUDCFJQASGOOJ-UHFFFAOYSA-N 366.848 4.628 0 40 FJAB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(F)cc(C(F)(F)F)c1 93889566 UFGCVWOJVJAZIE-UOXLDJKESA-N 373.415 4.775 0 40 FJAB Brc1nc2cc(Br)c(Br)cc2s1 95950022 XORQSACNSPTYAP-UHFFFAOYSA-N 371.879 4.584 0 40 FJAB CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1=C(O)CC(C)(C)CC1=N2 102668156 MBXXORBYJIGLPS-MRXNPFEDSA-N 354.479 4.616 0 40 FJAB O=C(CCCCc1nc2ccccc2s1)OCCCc1cccnc1 104828701 HFGFUZJYXSBPEX-UHFFFAOYSA-N 354.475 4.580 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)n1 149357341 JVQFSZZRMRYPMM-UHFFFAOYSA-N 363.461 4.588 0 40 FJAB O=C(c1cc(-c2cccs2)on1)N1CCS[C@@H](c2ccccc2)CC1 206989376 ICNCOOSXSRKERB-QGZVFWFLSA-N 370.499 4.724 0 40 FJAB O=C(c1c[nH]c2ccccc12)N1CCS[C@H](c2ccccc2F)CC1 219105747 NZBSLGZYUMKURL-IBGZPJMESA-N 354.450 4.627 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(F)cc2)cc1C(C)C 223370733 BJEHVQGEEQCQOC-HNNXBMFYSA-N 359.441 4.522 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1C(C)(C)C 223712990 WIDDEOWUDXNDRV-QGZVFWFLSA-N 369.505 4.509 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C(F)(F)F)c1 224089201 MWOIYLHNAHEMMZ-QGZVFWFLSA-N 365.395 4.796 0 40 FJAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CCCCC1 224095152 JJRYQIYBWRQOHK-UHFFFAOYSA-N 370.880 4.584 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1Cl 225063828 YBGFRCASPMNZOV-HXUWFJFHSA-N 357.881 4.693 0 40 FJAB Cc1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225295017 AEMYGLRHMPNSHB-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCOc1ccccc1CNC(=O)CCc1ccc(Cl)c(Cl)c1 225331283 RAOLAHXGSOWAGK-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB Cc1cc(C(=O)Nc2cccc(Oc3ccc(N)cc3Cl)c2)ccc1N 255190224 VSSWZYVVXBDKDD-UHFFFAOYSA-N 367.836 4.857 0 40 FJAB O=C(NCc1ccc(Cl)cc1)NC[C@H](c1ccco1)c1cccs1 585146793 QIJQCPGRPWNXCM-OAHLLOKOSA-N 360.866 4.626 0 40 FJAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969688 GLEOGHMVSYMGHP-UHFFFAOYSA-N 355.459 4.827 0 40 FJAB CC(C)Oc1cc(OC(C)C)c(Br)cc1Br 640486 ATIFRUHGAUDBDC-UHFFFAOYSA-N 352.066 4.786 0 40 FJAB Cc1ccc(OC(=O)c2ccccc2Cl)c(-n2nc3ccccc3n2)c1 787731 JBPQQXAYEHKMTO-UHFFFAOYSA-N 363.804 4.602 0 40 FJAB CC(=O)c1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1 2485179 CEDUMYBBSNDONK-UHFFFAOYSA-N 358.369 4.543 0 40 FJAB CCOc1ccc2nc(SCC(=O)c3ccccc3OC)sc2c1 2633590 QCYNCOHXUKYHCD-UHFFFAOYSA-N 359.472 4.679 0 40 FJAB CCSc1nnc2c(n1)O[C@@H](/C=C/c1cccs1)Nc1ccccc1-2 2741282 VXYTZKLSFNYRRI-FEAKQIBJSA-N 368.487 4.556 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 2761033 NRDQVADRAQLYSH-HNNXBMFYSA-N 353.393 4.797 0 40 FJAB S=C(NNc1c(Cl)cc(Cl)cc1Cl)NC1CCCCC1 3231853 SEZZNKBEHSTDIE-UHFFFAOYSA-N 352.718 4.771 0 40 FJAB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1 3277906 OPEMARMTXKSJHY-JTQLQIEISA-N 371.742 4.543 0 40 FJAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 4358846 QMTFTNQKYXUHTL-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 4690440 JVOBTSIDBKLGOT-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB Cc1ccccc1-n1nnnc1C1(Nc2ccc(F)c(Cl)c2)CCCC1 5020996 BIYISGUUMPLMEU-UHFFFAOYSA-N 371.847 4.645 0 40 FJAB CCN1C(=O)S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 5552291 MHBIAPDOSWSXOU-BOPFTXTBSA-N 373.861 4.975 0 40 FJAB COC(=O)/C(=C\c1ccc(C)cc1)c1ncc(C(F)(F)F)cc1Cl 5928083 LKZJBTFSFHUDCK-QPEQYQDCSA-N 355.743 4.776 0 40 FJAB COc1cc(OC)c(NC(=O)CSc2ccc(Cl)cc2)cc1Cl 6380451 JPNLRNLKGQUVRW-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 7652370 VCEBQCGEGWBHGS-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)no1 7824281 NQCJWBVAKGDTJG-UHFFFAOYSA-N 368.487 4.644 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1sccc1-c1ccccc1 8325316 BOBLDCRQVNVXGZ-SFHVURJKSA-N 366.486 4.575 0 40 FJAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(Oc2ccccc2)c1 8388811 IVVQFDBRGFKNDR-UHFFFAOYSA-N 372.424 4.858 0 40 FJAB Cc1cccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c1 9196276 NAVWDTRCAYBUIN-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB CC(=O)Nc1ccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1Cl 10944955 KLQFFPCPWXVULQ-GFCCVEGCSA-N 370.840 4.830 0 40 FJAB Cc1[nH]c2c(C(=O)N[C@@H](c3ccccc3)c3cccnc3)cccc2c1C 12148299 BGAKFMBFMPYQSP-NRFANRHFSA-N 355.441 4.699 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(Cl)cc1Cl 12807124 HSAUDOIKPZFSBE-AWEZNQCLSA-N 370.301 4.970 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC 16635209 QFGBBFLQOFXZSS-UHFFFAOYSA-N 373.449 4.534 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC(F)F)c(OC)c1 16778482 RCWLFPHLPZNJSG-CYBMUJFWSA-N 367.417 4.508 0 40 FJAB O=C(c1ccccc1)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 18193689 PKFKNRNOEBCLAQ-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CN(CC)CC)cc1 22508982 CVTHVPRWGVYUNL-NRFANRHFSA-N 368.521 4.941 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1 25616357 APZVEBXQZFRXFX-HNNXBMFYSA-N 352.409 4.633 0 40 FJAB C[C@H](c1ccc(OC(F)(F)F)cc1)n1c(=S)[nH]c2ccccc2c1=O 27223462 BMQZEUIFRAIKIG-SNVBAGLBSA-N 366.364 4.567 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 27757368 JMVNYZDAYQMQRK-UHFFFAOYSA-N 353.447 4.596 0 40 FJAB CCN(C(=O)CSc1nc(C)cc(-c2ccccc2)n1)c1ccccc1 28030885 KMHWABCHOBJDHI-UHFFFAOYSA-N 363.486 4.597 0 40 FJAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12 28251817 ZTRIDRXCJCFUMR-UHFFFAOYSA-N 370.474 4.523 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccccn1)N[C@@H](c1ccccc1)C1CC1 29726037 SXXIDQYHBTXFNL-VXKWHMMOSA-N 357.457 4.622 0 40 FJAB CSc1ncccc1C(=O)Nc1ccccc1N1CCc2ccccc21 31532284 ZGEWOUIUSGKHGW-UHFFFAOYSA-N 361.470 4.750 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc(C)c1Cl 44841190 IAVFEQCGVHMUFK-BEFAXECRSA-N 357.881 4.918 0 40 FJAB C[C@]12CC[C@@H]3[C@@H]([C@@H](S)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 44964185 NZCDWYJROUPYPT-PRWOMYONSA-N 374.546 4.502 0 40 FJAB Oc1c([C@@H](Nc2ccc(Cl)cn2)c2ccccn2)ccc2cccnc12 46085449 GBBDAFITRZMZCP-LJQANCHMSA-N 362.820 4.585 0 40 FJAB CSc1nccn1-c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 48249495 AZZAVIDXUPDSRO-QGZVFWFLSA-N 369.515 4.633 0 40 FJAB CSc1ccccc1C(=O)N(Cc1cccs1)Cc1cccn1C 49026661 YJTMCFVQRHZMEU-UHFFFAOYSA-N 356.516 4.651 0 40 FJAB Cc1cccc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)c1 71889907 VYLPFHLULZJRBM-UHFFFAOYSA-N 354.837 4.795 0 40 FJAB CC1=Nc2c(c(C)nn2-c2ccc(C(=O)O)cc2)[C@@H](c2ccsc2)S1 72406461 QBNOZKWTJJECCU-MRXNPFEDSA-N 369.471 4.827 0 40 FJAB FC(F)(F)c1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 89787891 QWSAPFKVJVGVRZ-LJQANCHMSA-N 363.379 4.718 0 40 FJAB Cc1nc(N[C@H](c2ccc(Cl)cc2)c2cccnc2)c2cccnc2n1 95386003 RCKCHFQPNIKOTK-GOSISDBHSA-N 361.836 4.583 0 40 FJAB Cc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccc(F)cc3)CC2=Nc2ncnn21 102657029 MFCLOOGMGDEZEY-VFNWGFHPSA-N 374.419 4.791 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(F)cc1 219262478 KHSYFGFIRZRGPE-SFHVURJKSA-N 373.493 4.786 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219375474 VYSFIXXXKZYHMJ-OALUTQOASA-N 367.489 4.879 0 40 FJAB CC[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223126052 VMQYCYGLOLYKKW-FQEVSTJZSA-N 357.881 4.865 0 40 FJAB O=C(Cc1cccc(Cl)c1)NCCSCc1c(F)cccc1Cl 223247217 WKNNVTBYCGXNTK-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223472716 GLPWPVXTDWTDQX-HKUYNNGSSA-N 355.478 4.655 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCOc1cccc2ccccc12 223509379 QATRNBUGCLRARD-INIZCTEOSA-N 351.471 4.516 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(COC)c1 225186419 BZJAAJZOMDPIRS-NRFANRHFSA-N 353.462 4.508 0 40 FJAB CCOc1ccc(NC(=S)NCCSCc2ccccc2C)cc1 225360461 LTTJTAZRXORBOR-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCC[C@H](C)C1 225890656 PVRZVHRYHOTMFK-KSFYIVLOSA-N 370.493 4.803 0 40 FJAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c2cccnc12 225899712 NUCMJZJHJUGGMP-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(Br)cc1 226763449 KLZBFQYBGMLQID-QPJJXVBHSA-N 365.658 4.645 0 40 FJAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccc2ccccc2c1 408534314 VCFWWEIPUPBIOQ-JLHYYAGUSA-N 351.409 4.949 0 40 FJAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1 408611733 QZRQQAJDHIPRHE-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB CC(C)c1ccccc1OCC(=O)N1CCc2c1cccc2C(F)(F)F 1584677837 FHGWZFVHYRUHFN-UHFFFAOYSA-N 363.379 4.797 0 40 FJAB CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2O1 719250 LWTUDLBZLIAJMX-KRWDZBQOSA-N 353.752 4.768 0 40 FJAB CCOc1cc(/C=C/c2ccccc2OC)cc(=O)c2c(C)oc(C)c12 1321758 SPLYBIZZFNGPNE-ZHACJKMWSA-N 350.414 4.988 0 40 FJAB biogenic CCOc1ccc2ccccc2c1[C@@H](Cc1ccc(Cl)cc1)NCCO 1666340 PCQNNQHKFJDEHM-HXUWFJFHSA-N 369.892 4.758 0 40 FJAB CCCCOc1ccc([C@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 1829742 BHWJEAFQJWQLOS-PKTZIBPZSA-N 353.506 4.779 0 40 FJAB CCCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 2181957 JMHCPEJOBVFEFK-UHFFFAOYSA-N 354.519 4.800 0 40 FJAB CCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 2601793 DXNVFOKLTUMITE-UHFFFAOYSA-N 355.507 4.651 0 40 FJAB CCOc1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120609 AMWGNTNTNSORNE-ZEQRLZLVSA-N 374.436 4.987 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@H](O)Cn2c(C)nc3ccccc32)CCCC1 3648930 IPRMBCGSQNTBJH-GOSISDBHSA-N 373.500 4.548 0 40 FJAB CC(C)C(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341972 NBVYUOBMVPKDKX-UHFFFAOYSA-N 356.809 4.933 0 40 FJAB COc1cc(C)c(CSc2nc3ccccc3[nH]c2=O)cc1C(C)C 4632188 QMKHYBWWXILORA-UHFFFAOYSA-N 354.475 4.656 0 40 FJAB Cc1cccc(Nc2nc3nonc3nc2Nc2cccc(C)c2C)c1C 4859452 LQESJCJZGGGJLQ-UHFFFAOYSA-N 360.421 4.734 0 40 FJAB CCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccoc1C 4860861 KPYOCIGYKKZUEW-UHFFFAOYSA-N 355.463 4.622 0 40 FJAB O=C(Nc1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 4966491 UDSZLCWWGBNNNE-UHFFFAOYSA-N 355.438 4.847 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2c(s1)CCCC2 5307828 FXTOUPCYEQZQFM-UHFFFAOYSA-N 371.502 4.854 0 40 FJAB Cc1nc2c(ccc3nc(NC(=O)CCc4ccccc4)sc32)s1 6479717 FGGBVPJYTFJHEI-UHFFFAOYSA-N 353.472 4.786 0 40 FJAB Cc1cc(Br)c(NC(=O)Cn2ccc3ccccc32)cc1C 6626254 BNTZNWXYDXJMKH-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H]1c1cccn1C 7856298 LDVKIQCDCXTLDN-LJQANCHMSA-N 354.885 4.510 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(OC)cc1OC 8382789 IPLXFNULJIWOHZ-UHFFFAOYSA-N 351.402 4.508 0 40 FJAB CCn1c(SCC(=O)c2ccc(C(C)C)cc2)nnc1-c1ccco1 8620596 PKFBFICOZGSOIP-UHFFFAOYSA-N 355.463 4.656 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 8851367 LSGLIKLITGUCHW-ZDUSSCGKSA-N 356.422 4.664 0 40 FJAB Cc1nc(CSCCC(=O)N2CCC(Cc3ccccc3)CC2)cs1 9040848 VXGKNARQWYWWIQ-UHFFFAOYSA-N 374.575 4.556 0 40 FJAB S=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10184206 RCHKHXUZUXCHJV-CYBMUJFWSA-N 370.909 4.793 0 40 FJAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 10440803 AQGXPSLTGAPWOF-VQHVLOKHSA-N 364.228 4.822 0 40 FJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1C(F)(F)F 11002958 VNGDBGLEOOCHQI-UHFFFAOYSA-N 371.742 4.772 0 40 FJAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 12042948 QDSLIUCJTRZEPL-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB COc1cc(OC)cc(-c2nnc(S[C@H](C)c3ccc(F)cc3)o2)c1 12075109 KXZGTYDFVSGJJY-LLVKDONJSA-N 360.410 4.746 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)c1 12563464 JKWNXWOURJMYCI-CQSZACIVSA-N 351.475 4.866 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12933513 WOWWIGNZGZZEJW-CQSZACIVSA-N 356.878 4.970 0 40 FJAB CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3)CC2)cc1 13000532 UGEPZAPIJKBVLT-UHFFFAOYSA-N 352.478 4.962 0 40 FJAB Cn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2cc(Cl)ccc21 13082732 WSPHMFIWLCZGCR-QOUZIFTOSA-N 363.269 4.687 0 40 FJAB COc1ccc(N(C(=O)Nc2cccc(C)c2)C2=NCCC2)cc1Cl 16689861 GKCMTWKLPCLRLV-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB COc1cccc2cc(-c3csc(-c4ccccc4F)n3)c(=O)oc12 20736529 HDLUFFAQDDBXBK-UHFFFAOYSA-N 353.374 4.731 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1cccc(C)c1 22511563 ZIIWZPDSOAUNCE-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB CC(C)c1ccc(-c2nc(C(=O)Nc3nnc(C4CC4)s3)cs2)cc1 24830819 VDWNJEKXCVBMDD-UHFFFAOYSA-N 370.503 4.915 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795313 FUDODVKZSRJVSD-UHFFFAOYSA-N 355.821 4.854 0 40 FJAB CC(C)n1ncc2c(C(=O)N(C)c3ccccc3)cc(-c3ccccc3)nc21 29484579 CDBWNMVBCJKKPA-UHFFFAOYSA-N 370.456 4.956 0 40 FJAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccc(C)o3)n2)c1 31802165 MRBQGSINFLOLFU-FEAKQIBJSA-N 367.474 4.857 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 32791066 QXEYGCLWUGEKIN-MHWRWJLKSA-N 354.837 4.981 0 40 FJAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 32942977 NWVIUODNLTYTDU-AAGJOFLKSA-N 351.446 4.568 0 40 FJAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Oc2ccccc2)nc1 40141644 XBRQPWKGJUALDQ-UHFFFAOYSA-N 368.396 4.583 0 40 FJAB COc1ccc2nc(C)cc(N3CCC(C(=O)c4ccccc4)CC3)c2c1 48314838 RXJGSAQFJJAUAR-UHFFFAOYSA-N 360.457 4.651 0 40 FJAB O=C(c1ccnc(Cl)c1)N(Cc1ccccn1)c1ccc(Cl)cc1 48339847 GAPWPZYESPSAPY-UHFFFAOYSA-N 358.228 4.630 0 40 FJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(C)cc1)C3 55393820 GBXRAHRWIOEDMH-UHFFFAOYSA-N 363.457 4.796 0 40 FJAB biogenic O=C(Nc1ccc(N2CCCCCC2)cc1)C1=NO[C@H](c2ccccc2)C1 65627653 CMIDDVNPCIOCFL-NRFANRHFSA-N 363.461 4.523 0 40 FJAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2ccccn2)C3)cc1 67401416 GFWYTKXCZPLPNM-UHFFFAOYSA-N 372.472 4.592 0 40 FJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1 75359586 OFTQUDIDRQHVIQ-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@@H](C(F)(F)F)SC1 79502100 ZIMXYZUTBBTAMC-LBPRGKRZSA-N 363.405 4.812 0 40 FJAB COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c1 85411884 WBXBVZZDNHORAW-QGZVFWFLSA-N 357.479 4.576 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423082 NGYSAXMUFKSQCK-PMACEKPBSA-N 369.896 4.657 0 40 FJAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100424576 UGEXXCHEIXWTRU-SFTDATJTSA-N 365.546 4.559 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 168427575 VCTLNUYPMBPRDQ-OKWIKPQFSA-N 356.293 4.702 0 40 FJAB C[C@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@H]2CCCC[C@@H]12 195528854 FQIVCERLPVIKBJ-RBOXIYTFSA-N 354.263 4.629 0 40 FJAB COc1cccc(NC(=O)Nc2ccccc2-c2csc(C)n2)c1OC 206909507 VYVFTYARWWKGTA-UHFFFAOYSA-N 369.446 4.780 0 40 FJAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214369071 AKIRECDOWJZPEA-VCHYOVAHSA-N 366.417 4.852 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223075170 WMRNZJPHTBNZIF-KSFYIVLOSA-N 367.489 4.609 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)cc1 223993086 XXMSKLGRALQOOS-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB COc1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1Cl 224427484 TUIYJEDISZZXAS-UHFFFAOYSA-N 363.841 4.535 0 40 FJAB CCCOCc1cc(C(=O)Nc2ccccc2OCC)ccc1OCC 224707043 ULFGSRBJSWVOOS-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB CC(C)c1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 225020385 XPLYWFDVADAQNT-UHFFFAOYSA-N 365.517 4.607 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 225207280 QQENZDXYIALNRU-INIZCTEOSA-N 369.505 4.811 0 40 FJAB CCc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225296008 IBZUYMQRYGXDJD-SFHVURJKSA-N 361.489 4.602 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1OCC 225451809 WXADYQNFKRGXSX-LBPRGKRZSA-N 365.832 4.768 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 225562463 UOEZFANWNZCLBR-SFHVURJKSA-N 369.505 4.989 0 40 FJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225570695 ALOHSCNXPMMTDT-MRXNPFEDSA-N 371.452 4.690 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1c(F)cccc1F 225625530 RONOVAXFLISMFD-UHFFFAOYSA-N 364.461 4.673 0 40 FJAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc2c(c1)OCCO2 225659778 MLIYZWQPNPXOIV-OAHLLOKOSA-N 370.518 4.501 0 40 FJAB COc1cc(OC)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 226343651 YGWKAHBREWZQCH-UHFFFAOYSA-N 367.630 4.663 0 40 FJAB CCc1ccccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408597356 YMYGNIIQBALQRA-UHFFFAOYSA-N 353.274 4.683 0 40 FJAB CCCN1C(=O)N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409248723 IEDQXRPNOJKEFA-VBKFSLOCSA-N 372.877 4.794 0 40 FJAB CCN(CC)S(=O)(=O)c1cccc(-c2csc(-c3ccccc3)n2)c1 703927 CLUXSWVFXXFHJO-UHFFFAOYSA-N 372.515 4.508 0 40 FJAB CCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 844610 HNPXEKAXUIALNQ-IIBYNOLFSA-N 350.462 4.706 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 934642 IWNNKIHWDQCOCU-CYBMUJFWSA-N 362.267 4.979 0 40 FJAB Nc1ccccc1/N=c1\cc(-c2ccc3c(c2)OCO3)oc2ccccc12 1106316 NJECYTXSGVBINM-HKOYGPOVSA-N 356.381 4.643 0 40 FJAB biogenic O[C@@H](COc1ccc(Cl)cc1)CSc1ccc(Br)cc1 3281460 XAFSHWRPQACGNL-ZDUSSCGKSA-N 373.699 4.635 0 40 FJAB CC(C)[C@H](NC(=O)c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1 3336677 DJCXYSZSWIIIIF-INIZCTEOSA-N 362.260 4.997 0 40 FJAB COc1cccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 3432053 GKCLBIIUDCVWSZ-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccc1 3899679 TZCIQTXJNXQVIJ-QFIPXVFZSA-N 351.409 4.827 0 40 FJAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)N1CCCC1 4059668 OXXQYPCHRHCKSL-UHFFFAOYSA-N 368.477 4.543 0 40 FJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)c2nc3ccccc3[nH]2)cc1 4816250 URKLOFDGQGHIPM-UYRXBGFRSA-N 359.454 4.861 0 40 FJAB Cc1ccc(-c2csc3ncnc(SCc4nnc(C)o4)c23)cc1 7234063 GVXQLVLPTYYWDZ-UHFFFAOYSA-N 354.460 4.650 0 40 FJAB c1coc(-c2cc(CN3CCC[C@H]3c3nc4ccccc4s3)no2)c1 7359995 QRZRIZSHDOBYIY-HNNXBMFYSA-N 351.431 4.881 0 40 FJAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCC(C)CC1)oc1ccccc12 7389297 AMGVDYNTVJAHGE-OAHLLOKOSA-N 366.461 4.654 0 40 FJAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 8706017 HFTBGWQZIVRZGJ-UHFFFAOYSA-N 362.429 4.732 0 40 FJAB COc1ccccc1-c1nnc2sc(-c3cccc4ccccc34)nn12 8706340 BYDDOGSPKIISAJ-UHFFFAOYSA-N 358.426 4.682 0 40 FJAB CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccn2)cc1 10215096 XCEBRQILBLPODQ-JTHBVZDNSA-N 371.440 4.723 0 40 FJAB O=C(NCc1ccc(CN2CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2 10456661 ZBFOMLGJVYTXLC-UHFFFAOYSA-N 366.549 4.505 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C(F)(F)F)c1 10641250 FWKZXSNKIJPYQD-UHFFFAOYSA-N 362.307 4.662 0 40 FJAB COc1cccc(-c2noc(-c3cccc(OC)c3)c2Br)c1 13640848 GXDWFSAPCPSDQO-UHFFFAOYSA-N 360.207 4.788 0 40 FJAB COc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1OC 13686953 DMPPPRMHJCROJS-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1ccc(Cl)cc1-n1ncc2c(Nc3cccc(F)c3)ncnc21 17121603 FOLQYUBPEMNZCD-UHFFFAOYSA-N 353.788 4.660 0 40 FJAB Cc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1C 19647750 XNBDRLIWYJVZFS-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(OCCSc2ccccc2)cc1 20451906 LVASPPKCRNMDQU-CDXJDZJCSA-N 367.514 4.776 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)c(Cl)c1 20452042 UFUBKUHSLGCNKA-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(F)cc1F 24628083 AKEMCRYPJYVXRL-UHFFFAOYSA-N 353.796 4.761 0 40 FJAB CCCCc1noc([C@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)n1 26646773 GYEIRCLBACHPSW-KRWDZBQOSA-N 369.509 4.685 0 40 FJAB CSc1ccc(CN(C)C(=O)c2sc3nc(C)nc(C)c3c2C)cc1 28420103 WUQSWKJCMZWDJF-UHFFFAOYSA-N 371.531 4.611 0 40 FJAB C[C@H](Sc1nc2ccccc2n1C(F)F)c1nc(-c2ccco2)no1 29740305 UQTADQLAUOKMQL-VIFPVBQESA-N 362.361 4.928 0 40 FJAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1C 32603640 GXPKCMKGCMQYRY-UHFFFAOYSA-N 358.290 4.513 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1cccnc1 32889679 MLHNJXDALGHMAS-INIZCTEOSA-N 374.444 4.559 0 40 FJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(Cl)cc1F 32930555 ICHZGMJLTWJWJT-UHFFFAOYSA-N 356.784 4.596 0 40 FJAB CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccccc1)CC(=O)C[C@@H]2c1ccccc1 34557219 XPPIZIALVLDCOF-NHCUHLMSSA-N 374.480 4.862 0 40 FJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCC1 35292356 AHSYATVYHAXTJO-JLYLLQBASA-N 371.525 4.535 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2C)c1 44904121 AHQJKEZPOOWPHM-IBGZPJMESA-N 371.546 4.737 0 40 FJAB CCSc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 44938703 NIRBVCVOSRSULT-UHFFFAOYSA-N 351.475 4.604 0 40 FJAB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 46705420 NCEXVQLZOIILQI-FMIVXFBMSA-N 361.626 4.648 0 40 FJAB C[C@@H](Oc1ccc(C(=O)N(C)Cc2ccsc2)cn1)c1ccccc1 48324990 MUQJOAQAROPTAD-OAHLLOKOSA-N 352.459 4.555 0 40 FJAB O=[S@](CCCOc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 58131546 MXSJLRJRKPATOP-DEOSSOPVSA-N 360.372 4.562 0 40 FJAB Fc1ccccc1Cc1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71890008 WDFCYXBHBCEZHF-UHFFFAOYSA-N 372.827 4.549 0 40 FJAB CCN(C(=O)Nc1cccc(OC)c1)[C@@H](Cc1ccc(C)cc1)C1CC1 72303861 VEXOIWGCTJKPPS-NRFANRHFSA-N 352.478 4.879 0 40 FJAB Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(-c3ccccc3)on1)CCC2 85609698 PRLBTUPRWBEMAY-OAHLLOKOSA-N 368.462 4.648 0 40 FJAB CC1=Nc2c(c(O)nn2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2)S1 95477183 QLJLTYQCZMCXTO-GDBMZVCRSA-N 357.479 4.605 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)C1 100283457 XGZUOJSRRGIHTF-HTAPYJJXSA-N 366.461 4.573 0 40 FJAB COC(=O)CCCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1 141829076 FZJBEHQOPZUBET-UHFFFAOYSA-N 366.413 4.572 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219580717 IAMVTAMWLHURMY-QZTJIDSGSA-N 371.452 4.710 0 40 FJAB O=C(COc1cccc(C(F)(F)F)c1)NCc1cccc2ccccc12 222899939 QATPGUAXWNQSGE-UHFFFAOYSA-N 359.347 4.554 0 40 FJAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 223073075 NCJZLKZISCYAJB-JOCHJYFZSA-N 351.490 4.829 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2F)cc1C(C)C 223370546 CJJIGALKRKASKO-OAHLLOKOSA-N 359.441 4.522 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2cccc(OC)c2)c1 224592607 VFTMFPVDJPPOPP-MRXNPFEDSA-N 371.477 4.591 0 40 FJAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1 224604204 HJQQAQNTFXTNIR-UHFFFAOYSA-N 367.470 4.577 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 225591799 ZGZXQRYMXUECJR-UHFFFAOYSA-N 357.406 4.727 0 40 FJAB Nc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(Cl)c1 226343664 AFASFBYNSRZZNZ-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccccc1 408561308 HOPKREFTNOINRD-XDOYNYLZSA-N 354.450 4.679 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1C 408564086 XOUMRZLWTRDPSK-DQRAZIAOSA-N 350.487 4.903 0 40 FJAB Cc1cc(C)c(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c(C)n1 626568241 DKTNJXDRWKBHEY-MRXNPFEDSA-N 359.420 4.697 0 40 FJAB CCC(CC)C(=O)Oc1ccc(Br)cc1Br 682327 UIUSCKLVKNQDOL-UHFFFAOYSA-N 350.050 4.553 0 40 FJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C1CCCCC1 793606 CWBDWJHWRVQNLG-UHFFFAOYSA-N 372.538 4.693 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc2ccccc2c1 807583 SDVXCOOSXOKJNX-UHFFFAOYSA-N 357.409 4.680 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1Cl 840457 CKTXOZYOTXHUAI-JTQLQIEISA-N 358.652 4.731 0 40 FJAB COc1ccc(C)cc1NC(=O)CSc1nc2c(C)cccc2cc1C 875722 OCXWEDBMHCUULQ-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB CCCCOCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 2426308 BWTDVWDMKQRJKE-UHFFFAOYSA-N 360.461 4.853 0 40 FJAB COc1ccc(N(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 2633188 PWYYHJFGAOIBNR-UHFFFAOYSA-N 350.393 4.611 0 40 FJAB Cc1nnc(S[C@@H](C)C(=O)c2cccc(Cl)c2)n1Cc1ccccc1 2664954 LTRZRBHWWNJUJL-ZDUSSCGKSA-N 371.893 4.652 0 40 FJAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 2787574 GMNXGYZQCWPCKO-NSHDSACASA-N 352.463 4.750 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Br)cc1 3264278 IFYFSZCGFUDIRI-LBPRGKRZSA-N 362.292 4.519 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 3330941 MLCZGZYETBGJGD-UHFFFAOYSA-N 352.356 4.684 0 40 FJAB Fc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 4749426 HTSGBXBEKWDXLI-UHFFFAOYSA-N 363.274 4.665 0 40 FJAB CCOc1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 5047476 FIXLAZDULLCERJ-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 5324564 XFZOAIUVJSCTRP-UHFFFAOYSA-N 353.378 4.823 0 40 FJAB CCc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1 5477474 WIZDBDFDTVZLCZ-UHFFFAOYSA-N 374.469 4.876 0 40 FJAB Cc1nnc(SCC(=O)c2ccc(Cl)s2)n1C1CCCCC1 5866411 CVROHCHXRHPTJM-UHFFFAOYSA-N 355.916 4.782 0 40 FJAB CCCCn1nc(C(=O)Nc2ccccc2C(C)C)c2ccccc2c1=O 6430022 FCWUDXHEGIWMKK-UHFFFAOYSA-N 363.461 4.572 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 6657853 TYPHTHLNBODUDT-UHFFFAOYSA-N 374.444 4.510 0 40 FJAB CCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 6879158 DAPAJDSGBMYEIF-LDADJPATSA-N 371.433 4.851 0 40 FJAB CC(=O)Nc1ccc(-c2nnc(SCc3cccc4ccccc34)[nH]2)cc1 7605135 FHVSZDHEWHAQME-UHFFFAOYSA-N 374.469 4.876 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 7922118 XLQDKYPDFHBTRJ-HNNXBMFYSA-N 353.491 4.545 0 40 FJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 7950149 NMKLHHIWYKGPGO-UHFFFAOYSA-N 351.853 4.520 0 40 FJAB Cc1c(C(=O)OCc2nc(-c3ccccc3)no2)oc2c(Cl)cccc12 8073613 CTHDJHYYRLLSCZ-UHFFFAOYSA-N 368.776 4.802 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1 8656818 YBWYNZYVVYWBDD-UHFFFAOYSA-N 355.441 4.954 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107366 YQDKZJULOOFGSU-UHFFFAOYSA-N 370.452 4.727 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccc3C)ccc1O2 9135330 CTHKSNINGXLGKJ-UHFFFAOYSA-N 372.424 4.938 0 40 FJAB C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 9536160 JZHZQOFJVFGOPA-CRAIPNDOSA-N 367.518 4.945 0 40 FJAB C[C@@H]1c2ccsc2CCN1Cc1ccc(OCc2ccccn2)cc1 12241128 PLMCTBRIZVVAKB-MRXNPFEDSA-N 350.487 4.841 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CCCOc1ccc(Cl)c(C)c1 12784397 SNHWILQLROPMEI-OAHLLOKOSA-N 361.869 4.693 0 40 FJAB COc1ccc(-c2nc(CSCCOc3ccc(C)cc3)co2)cc1 12870230 NNPPXYNHDPSULU-UHFFFAOYSA-N 355.459 4.971 0 40 FJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCCc2ccccc21 12939236 IIGYYGVBJFZSGE-HNNXBMFYSA-N 357.837 4.560 0 40 FJAB C[C@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 13137396 QITAXBMVKGBQLN-IHNWZIPXSA-N 360.501 4.797 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)cc1 13564569 TZCPTQPELNMQLX-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB CCOc1ccc(CN(Cc2ccncc2)Cc2ccc(OC)cc2)cc1 13570216 DYSQWUJHIAQJJN-UHFFFAOYSA-N 362.473 4.691 0 40 FJAB CCn1c(COc2ccccc2)nnc1SCc1cccc(Cl)c1 14087723 HQMYHUHUHAKWRT-UHFFFAOYSA-N 359.882 4.823 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1ccccc1C(=O)c1ccccc1 14343215 FFKTXCAKGXAUGL-UHFFFAOYSA-N 358.422 4.780 0 40 FJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccsc1 14503675 FPOWOTWJHTVVCP-UHFFFAOYSA-N 373.481 4.590 0 40 FJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2ccc(C)cc2)o1 19928636 UYISXXYPGMQTJR-UHFFFAOYSA-N 374.849 4.682 0 40 FJAB COc1cc(CNc2cccc(Cl)c2C)cc(Br)c1O 21797450 RVAWOCWSNUAXMC-UHFFFAOYSA-N 356.647 4.737 0 40 FJAB CC(C)c1cc(C(=O)Nc2cccc3cccnc23)c2cnn(C(C)C)c2n1 22585700 PLBKUYGHIRBLHH-UHFFFAOYSA-N 373.460 4.936 0 40 FJAB C[C@]1(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CC1(Cl)Cl 23042327 NCBSALSPYGDOAZ-UKRRQHHQSA-N 358.265 4.677 0 40 FJAB O=C(NCC1CCN(Cc2cccs2)CC1)c1cccc2ccccc12 23128071 NHHLNTBUPPSOJZ-UHFFFAOYSA-N 364.514 4.543 0 40 FJAB COc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc(Cl)c1OC 23151100 BBSYZFSUQINVEY-QGZVFWFLSA-N 359.853 4.507 0 40 FJAB CN1C(=S)S[C@H](c2ccc(F)cc2)N(C)[C@@H]1c1ccc(F)cc1 34152448 CLPGBRILSIFVJQ-JKSUJKDBSA-N 350.459 4.558 0 40 FJAB Cc1ccccc1CC(=O)NCc1ccccc1COCc1ccccc1 36392574 SJXODOPMMICERH-UHFFFAOYSA-N 359.469 4.571 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)c1cc(C2CC2)nc2onc(C3CC3)c12 36617332 AHPBNONCZISZFX-UHFFFAOYSA-N 359.429 4.719 0 40 FJAB Cc1cccc(C)c1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 36726710 KNCFMWMKJDTVOU-OAQYLSRUSA-N 372.468 4.803 0 40 FJAB CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 37385829 XKWYCKUSKSFFEP-UHFFFAOYSA-N 368.296 4.547 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 48260887 BQINNGWEVWJHMS-UHFFFAOYSA-N 361.465 4.709 0 40 FJAB O=C(CCN1CCC(c2cc3ccccc3[nH]2)CC1)Nc1ccccc1F 58357032 RSWJDBUIAIFOSL-UHFFFAOYSA-N 365.452 4.515 0 40 FJAB CCc1cccc2c(-c3csc(Cc4ncc(Cl)n4C)n3)c[nH]c12 63630849 WOALIXLDIXZXHI-UHFFFAOYSA-N 356.882 4.832 0 40 FJAB CO[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1C 96105004 SLLPDJDNGFVTEG-JOCHJYFZSA-N 373.452 4.737 0 40 FJAB CCOc1ccc2nc(Sc3nonc3-c3ccccc3)sc2c1 96191886 CKEFWYQVKQBFKD-UHFFFAOYSA-N 355.444 4.896 0 40 FJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 222853248 BXJDFOADAJEPDK-WOJBJXKFSA-N 368.550 4.769 0 40 FJAB CCCSc1nnc(NC(=O)c2ccccc2SC(C)C)s1 223449526 AWUIFQSSVCWPSO-UHFFFAOYSA-N 353.538 4.793 0 40 FJAB Cc1ccc2[nH]c(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)nc2c1 225263115 FIKZRQPCBHCKLU-UHFFFAOYSA-N 355.441 4.811 0 40 FJAB O=C(NCCSCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 225625708 IEIMHGNNEIIWDS-UHFFFAOYSA-N 359.922 4.882 0 40 FJAB C[C@@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccsc3)CCCC2)s1 225682360 LLIFYACWONQFFS-BTKRWWFXSA-N 361.532 4.504 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 245225103 MRLGGPAKNUZADQ-APHBMKBZSA-N 370.415 4.581 0 40 FJAB c1csc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)ncn3c2)c1 306137089 QLHQXDAOQNYOJP-GOSISDBHSA-N 360.486 4.795 0 40 FJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3)nc2c1 408619159 GHUZOXONEBYYQF-UHFFFAOYSA-N 367.474 4.526 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccs2)CN1c1ccc(F)cc1 1615118995 GOBPVXZAHDPJIU-FQEVSTJZSA-N 358.482 4.551 0 40 FJAB CC1(C)C[C@@H]2CN(C(=O)C3CCCCC3)CC[C@@H]2N1c1cccc(F)c1 1615160023 WQMKZZFKCFGUJM-XLIONFOSSA-N 358.501 4.612 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 848988 ZBOMQTJTFWSDBM-FMIVXFBMSA-N 371.396 4.550 0 40 FJAB COc1ccc(Nc2ccc3c4c(ncnc24)-c2ccccc2C3=O)cc1 1092783 AULUUOAVTOYGCZ-UHFFFAOYSA-N 353.381 4.593 0 40 FJAB Fc1ccc(NC(=S)N2CCS[C@@H]2c2c(F)cc(F)cc2F)cc1 1441300 JZYFIHSTKSQRIY-OAHLLOKOSA-N 372.412 4.687 0 40 FJAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c3ccccc3n2C)cc1 2241184 NVHMLNMMIXPZGG-UHFFFAOYSA-N 368.436 4.766 0 40 FJAB CCCCCCNC[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 2626771 CMXDXGPJFDZWBN-QFIPXVFZSA-N 369.549 4.922 0 40 FJAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1NC(=O)c1ccco1 3402636 UUJMOUTWVSDUEK-IBGZPJMESA-N 374.440 4.648 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2nc3c(C)cccc3s2)cc1 3524355 JFWWUHRSPJMRSS-UHFFFAOYSA-N 368.458 4.605 0 40 FJAB COc1ccccc1/C=C/c1nn2c(-c3cccc(Cl)c3)nnc2s1 4664973 DQKIHCYYPQLJIG-MDZDMXLPSA-N 368.849 4.685 0 40 FJAB COc1ccc(OC)c(NC(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)c1 5414668 DTYNEHCJDBZFIM-UHFFFAOYSA-N 372.509 4.964 0 40 FJAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c(C)c1 5477819 PUNBPCAAERFFLB-UHFFFAOYSA-N 361.441 4.563 0 40 FJAB O=Cc1ccc(/C=C2\SC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 5552949 RASSDISPNRMORZ-CHHVJCJISA-N 361.781 4.533 0 40 FJAB COc1ccc(OC)c2c3c(ccc12)[C@@]1(CCc2c(C)cccc21)OC3=O 5889527 IKMGJOYMJFXAJF-QHCPKHFHSA-N 360.409 4.526 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CSC3=NCCS3)ccc21 6226177 ZESDUMDWGAKEMG-UHFFFAOYSA-N 369.515 4.589 0 40 FJAB FC(F)(F)c1cccc(-c2nnn(Cc3ccc(Cl)cc3Cl)n2)c1 6648117 FLKUKHVFOBMUOS-UHFFFAOYSA-N 373.165 4.714 0 40 FJAB COc1cccc(Nc2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)c1 7278857 VCNLEIGMAAEIPU-UHFFFAOYSA-N 353.447 4.829 0 40 FJAB C[C@H]1Cc2ccccc2N1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7285386 UXZCIQZKQYTYME-AWEZNQCLSA-N 373.481 4.603 0 40 FJAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 7602315 QRVSJXDIHSMLSU-UHFFFAOYSA-N 366.849 4.689 0 40 FJAB Cc1cc(C)c(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c(Cl)c1 7789464 GRCSAYGKTRUTPL-UHFFFAOYSA-N 360.860 4.699 0 40 FJAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c(C)c1 7922234 TXBKBEFIKYASQI-HNNXBMFYSA-N 353.491 4.545 0 40 FJAB COc1ccc(NC(=S)Nc2cccc(Br)c2)cc1Cl 8104781 CJLNSRKWCRAMME-UHFFFAOYSA-N 371.687 4.920 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1OCC 8325121 YTRQLDSZHFQPRK-UHFFFAOYSA-N 355.434 4.719 0 40 FJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1cccc2ccccc12 9254778 PDGLWLMFXIRZCY-UHFFFAOYSA-N 365.454 4.732 0 40 FJAB COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1 9423191 JDUWSKDIKIDBMP-ZDUSSCGKSA-N 365.458 4.511 0 40 FJAB COc1ccc(OC)c(-c2ccc(SCc3ccc(F)cc3)nn2)c1 10507028 SLUPSGOMOBBWRR-UHFFFAOYSA-N 356.422 4.592 0 40 FJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 11052842 AHTCHFMCCFZFAG-HOTGVXAUSA-N 365.473 4.504 0 40 FJAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCCCC2)cc1 12543834 CJPXDLGVDCOMJO-KRWDZBQOSA-N 363.505 4.605 0 40 FJAB Clc1ccc(-c2cc(CSc3nnc(-c4cccnc4)o3)on2)cc1 14162116 SURNYYCGXQTNJL-UHFFFAOYSA-N 370.821 4.732 0 40 FJAB CC(C)Cc1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 14380562 XHDUYNMYHCBSKY-UHFFFAOYSA-N 351.475 4.580 0 40 FJAB Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1Cl 16312917 KNXDBLFNXZVEQH-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB Fc1ccccc1CCNCc1ccccc1OCc1ccccc1F 16449566 URYOGMOTHADJGP-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB C[C@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccccc1 16705210 RESQAHGFFKCNMC-GETOMWPZSA-N 352.434 4.840 0 40 FJAB C[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc3ccccc23)C1 19908695 HZFTZVFMYVICGI-KRWDZBQOSA-N 372.468 4.964 0 40 FJAB CCCCOc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 21524337 QKHOEXSHTVWEGS-UHFFFAOYSA-N 350.418 4.701 0 40 FJAB COc1ccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)cc1 22072070 NWZWFQZQGIYJCK-UHFFFAOYSA-N 371.799 4.879 0 40 FJAB CN(C(=O)/C=C/c1ccc(Br)s1)[C@H]1CCc2ccccc21 27821018 PQGQSUNBFAYAMY-SHQCLWGWSA-N 362.292 4.670 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccco2)n1)C12CC3CC(CC(C3)C1)C2 32909217 KPGXNCNLYJSGFF-JHMRYYBSSA-N 370.518 4.667 0 40 FJAB COc1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 33244743 FJQFUUOWZFLPSZ-UHFFFAOYSA-N 350.443 4.635 0 40 FJAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cccnc1Cl 40069471 GQGQAHJGSYKXHJ-UHFFFAOYSA-N 356.784 4.705 0 40 FJAB CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCNC2)c(Br)c1 42774881 RCSVWOUIMPIZMB-MRXNPFEDSA-N 360.295 4.516 0 40 FJAB C[C@@H](NC(=O)CCCCN1CCCC1)c1ccc(-c2ccccc2)cc1 58412180 ANYCCRJFUFUCQP-LJQANCHMSA-N 350.506 4.797 0 40 FJAB CC(C)Cn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 59094230 JJGYEDDMLKFDQW-UHFFFAOYSA-N 358.894 4.998 0 40 FJAB O=C(c1c[nH]c2ccccc12)N1CCC(CSCc2ccco2)CC1 85472455 WFCJBJSGXZINGE-UHFFFAOYSA-N 354.475 4.547 0 40 FJAB CC(C)C(=O)N1CC[C@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 96071046 WPHMVSZTCBYAIT-XMMPIXPASA-N 362.517 4.577 0 40 FJAB O=C(NCCCc1ccc(F)cc1)c1ccccc1OCc1ccccc1 218986273 XIYJONXCDCWGIA-UHFFFAOYSA-N 363.432 4.767 0 40 FJAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 219063748 DMOCMOFFWNSWND-MRXNPFEDSA-N 359.897 4.980 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 219529410 BUVXINHSNOZRFU-IBGZPJMESA-N 369.505 4.607 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219581124 OEEMWDVYYQECGO-MSOLQXFVSA-N 371.452 4.710 0 40 FJAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 222778166 CCIMAQYRKXPXIU-UHFFFAOYSA-N 358.485 4.756 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222949140 PYPIRZIVPZGEOE-HUUCEWRRSA-N 351.928 4.569 0 40 FJAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 222995709 JLAKSKITTCEBOY-KRWDZBQOSA-N 359.469 4.975 0 40 FJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 223855091 HDNLLCSOJIMCEM-IRXDYDNUSA-N 351.490 4.773 0 40 FJAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480422 ATUDJYGSTJUBRF-UHFFFAOYSA-N 361.445 4.943 0 40 FJAB CCCCc1ccc(NC(=O)c2snnc2-c2ccc(OC)cc2)cc1 225763500 DSGYHVQIAFBJTQ-UHFFFAOYSA-N 367.474 4.809 0 40 FJAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(F)(F)F 225807147 NVXSASMPLBYXHV-SJCJKPOMSA-N 359.388 4.638 0 40 FJAB Cc1nc(-c2cc([C@@H]3CCCN3C(=O)OC(C)(C)C)ccn2)sc1C 257288525 PUNCFHHCEXLCMX-INIZCTEOSA-N 359.495 4.894 0 40 FJAB O=C(CSCc1c(F)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 408562623 DJISGDLAHKLIEL-UHFFFAOYSA-N 367.917 4.797 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)nc3)oc12 408568585 KNWLNDSVFCVOAZ-UHFFFAOYSA-N 360.369 4.881 0 40 FJAB O=C(COCc1ccccc1)c1cccc(OCc2cccc(F)c2)c1 575357666 RGOPFQNKNRBMND-UHFFFAOYSA-N 350.389 4.804 0 40 FJAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 678968 XOIRIIQSDWVLDB-UHFFFAOYSA-N 370.518 4.719 0 40 FJAB Brc1ccc(CSc2nccn2Cc2ccccc2)cc1 758050 AQGVUWQBXPUKPF-UHFFFAOYSA-N 359.292 4.986 0 40 FJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4ccc(F)cc4)n3c2c1 903071 ILGWPYFRDXNBGX-UHFFFAOYSA-N 365.433 4.613 0 40 FJAB COc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C)cc1 915593 MAYIWHKYUURNBN-UHFFFAOYSA-N 352.459 4.591 0 40 FJAB CC(=O)Nc1ccc(SCCOc2ccc(Br)cc2)cc1 2621630 QLBRJTGNUITVAR-UHFFFAOYSA-N 366.280 4.579 0 40 FJAB CCCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccccc1-2 2742099 XUGRSDMBWGBOGN-HNNXBMFYSA-N 356.476 4.605 0 40 FJAB Fc1ccccc1SCc1nnc(-c2ccccc2Br)o1 3473413 VHCBXAVMJMRNJM-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccc(F)c1 4088726 LEQMQJVUPLUKQD-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB COc1ccc(Oc2ncnc3c2oc2ccc(Br)cc23)cc1 4294840 MDRFVCRGJNMYND-UHFFFAOYSA-N 371.190 4.939 0 40 FJAB CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3ccccc3Cl)nc2C1 4320753 HUANFHFVKIAVGX-BQYQJAHWSA-N 360.866 4.604 0 40 FJAB CC(=O)c1cccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 4664603 WVWXYSKLKDXZJF-DNLWUEFJSA-N 366.288 4.684 0 40 FJAB Cc1ccc(C2=NC3(CCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 4891619 KHBAHBBMGXCGQH-UHFFFAOYSA-N 366.461 4.677 0 40 FJAB CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 4912762 PORYEONLDFRXJG-QGZVFWFLSA-N 353.462 4.829 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 5381336 HNKKENLYTQRKLT-UHFFFAOYSA-N 352.217 4.811 0 40 FJAB CC1=CC[C@@H]2C(C)(C)C(=O)C[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 5427117 BUPDBEMKWPDILI-LYHRCORUSA-N 366.457 4.760 0 40 FJAB biogenic O=C(COc1ccc(Cl)cc1Br)c1c[nH]c2ccccc12 6229899 YHHWEMIIYKLLPT-UHFFFAOYSA-N 364.626 4.846 0 40 FJAB Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)c(Br)c1 6287273 HJWDUJRYEMZCSE-UHFFFAOYSA-N 356.622 4.731 0 40 FJAB CCCn1c(NC(=O)c2ccc(OC(F)(F)F)cc2)nc2ccccc21 6516436 QOKRZYREPTVXQI-UHFFFAOYSA-N 363.339 4.597 0 40 FJAB CCOc1cc(COc2ccccc2CO)ccc1OCc1ccccc1 6656652 DMGUPIFGEHBVHY-UHFFFAOYSA-N 364.441 4.736 0 40 FJAB CCCCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 6669921 NILBJGOFDSVTRI-MRXNPFEDSA-N 367.489 4.806 0 40 FJAB biogenic Cc1cccc(NC(=O)CN(C)Cc2csc(-c3ccsc3)n2)c1C 7456460 QYXLIXFSQSFUTA-UHFFFAOYSA-N 371.531 4.559 0 40 FJAB O=C(CCc1ccsc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7784935 JKUMLLXCIAOOPV-HNNXBMFYSA-N 372.515 4.503 0 40 FJAB CSc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 10252288 IALDMDFLWUTDTR-UHFFFAOYSA-N 358.463 4.852 0 40 FJAB COc1cc(NC(=O)[C@H](C)Sc2ccc3ccccc3c2)cc(OC)c1 10439974 BTWNPFFGHUNIPM-AWEZNQCLSA-N 367.470 4.976 0 40 FJAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 10440807 PEKLNHFDZQAQEP-SDNWHVSQSA-N 351.446 4.813 0 40 FJAB COc1cccc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)c1 12144373 GQVAGLBTGQIDIW-UHFFFAOYSA-N 374.469 4.888 0 40 FJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3sccc3C)nn12 12409173 VFWAQIWREBNLNR-UHFFFAOYSA-N 362.867 4.552 0 40 FJAB C[C@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(-c2ccccc2)cc1 12980354 HPFQNXHHRRNECJ-INIZCTEOSA-N 368.436 4.686 0 40 FJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12 15840854 BIWNABCYIKIZTD-SFHVURJKSA-N 368.408 4.569 0 40 FJAB COc1ccc(-c2cc(Nc3ccc(Br)cc3)nc(C)n2)cc1 15859158 UCCFGVRGUJOUBT-UHFFFAOYSA-N 370.250 4.967 0 40 FJAB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)C12CC3CC(CC(C3)C1)C2 17073234 ORUIRSSHBZDBAW-GAGQPYHUSA-N 353.506 4.820 0 40 FJAB COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)C2CC2)cc1 19295866 FKAGOSCHWCNYRY-OAHLLOKOSA-N 373.880 4.616 0 40 FJAB CC(C)Oc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 20111763 VCHYEPKOHJFTLU-UHFFFAOYSA-N 363.910 4.677 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1F 22690310 LDVGEUGSIBEXDV-UHFFFAOYSA-N 354.381 4.570 0 40 FJAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc(Cl)cc3)ccc(Cl)c21 31871469 CGCZVRZKLQFMBY-SNVBAGLBSA-N 364.228 4.701 0 40 FJAB Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c(Cl)c1 32815120 CDKLZFHUQNQWET-UHFFFAOYSA-N 354.841 4.605 0 40 FJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2S1 32879927 DSSRSXRPJTZRRN-IFMALSPDSA-N 359.494 4.804 0 40 FJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(-c2ccccc2)[nH]n1 32930722 QXQONHXYQQPPQH-UHFFFAOYSA-N 374.375 4.655 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2)C1 38834685 GSDRKUAKNAIHIF-INIZCTEOSA-N 362.395 4.556 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)c1 40097544 DPVLDXOOEBIQQC-JTQLQIEISA-N 366.248 4.835 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 45221841 FWRLMIWCWSFFFU-QZTJIDSGSA-N 359.853 4.692 0 40 FJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(C(C)C)cc1 45888591 TXOCZLIJWRCUGH-UHFFFAOYSA-N 354.479 4.574 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2cnc(-c3ccccc3)s2)cc1 47073632 NHRADTRLAVLJLU-SFHVURJKSA-N 364.470 4.796 0 40 FJAB Brc1ccccc1CSc1nccn1Cc1ccccc1 59474585 RJBUKLGSGXDTPF-UHFFFAOYSA-N 359.292 4.986 0 40 FJAB OCC1CCN(Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 72313898 FTYYFMSRYKYKOO-UHFFFAOYSA-N 372.921 4.821 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 96883968 SBBHMEDGXKEHDT-VCHYOVAHSA-N 367.811 4.774 0 40 FJAB Cc1cc(NC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)ccn1 97164755 CPBKGRGYCVYBKH-QFIPXVFZSA-N 357.457 4.764 0 40 FJAB Cc1cc(C)cc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2cccs2)c1 100423720 IRLUKAZRDUMIGH-OALUTQOASA-N 369.534 4.682 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 222864269 JHOFNWYYQIZUEJ-RTWAWAEBSA-N 355.478 4.756 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OCC 224697303 HNRJYVJMTLRWCI-UHFFFAOYSA-N 363.841 4.536 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224927600 BPGXBOKDIJHOEZ-LJQANCHMSA-N 358.869 4.736 0 40 FJAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2ccsc2)cc1 225610536 ADHGMHBUHXDAEJ-IBGZPJMESA-N 371.889 4.922 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3ccccc3F)CCCC2)cc1 225850762 JXNDPWKIYJXSPL-UHFFFAOYSA-N 358.482 4.980 0 40 FJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)c2cccnc12 225909338 PQZRAYCLNHJNRM-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@H]3CCC[C@H](C)C3)cc12 328593225 NDRQMNLAZPCXOM-YOEHRIQHSA-N 367.518 4.763 0 40 FJAB CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c2ccccc21 409117455 NQCXYRMZDAGBID-AQTBWJFISA-N 359.381 4.552 0 40 FJAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1CCc1ccccc1 409200614 IXNIKGWHSOGXAC-WJDWOHSUSA-N 361.825 4.758 0 40 FJAB Cc1ccc(OCc2nc3ccccc3n2Cc2cc(C3CC3)no2)cc1 663930636 AYLOTZSMVGXMFX-UHFFFAOYSA-N 359.429 4.837 0 40 FJAB O=C(OCC1CCC(COC(=O)c2ccccc2)CC1)c1ccccc1 820479 CVPZXHCZKMFVOZ-UHFFFAOYSA-N 352.430 4.507 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 1413892 ROVLVLYAQYCTBL-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB CC(C)C[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 2271929 PVRGUGDRQFLDMQ-UKRRQHHQSA-N 360.479 4.522 0 40 FJAB COc1ccc2c(c1)[nH]c1c(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)ncnc12 2376872 WHCODBIWLXPJFS-ZSEKCTLFSA-N 350.466 4.525 0 40 FJAB O=C(c1ccc(Br)cc1)c1cccc(CN2CCCCC2)c1 2515006 BXYLMJAWAQKOFN-UHFFFAOYSA-N 358.279 4.666 0 40 FJAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)N1CCCC1 3206352 WGTOLGDFKAMFSC-SUMWQHHRSA-N 363.914 4.749 0 40 FJAB Cc1ccc(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 4387805 RVPUMESLFRVTMD-UHFFFAOYSA-N 362.425 4.550 0 40 FJAB Cc1cccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)c1 4474190 BPNAQTZXCNXMDO-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)o2)c1 5902552 FHVRSKVSEYNJPV-GFCCVEGCSA-N 373.865 4.818 0 40 FJAB COc1cccc2c1Oc1nc(-c3ccc(Cl)cc3)nc(S)c1C2 6009492 ANYLDTBYPYKRGY-UHFFFAOYSA-N 356.834 4.791 0 40 FJAB CCCNc1c(NC(=O)c2ccc(Cl)cc2)c(=O)oc2ccccc12 6826517 ZGKHQHGCUMXWDE-UHFFFAOYSA-N 356.809 4.521 0 40 FJAB CCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 7262341 SMHRJDSIGDKJPT-UHFFFAOYSA-N 352.247 4.667 0 40 FJAB CN(C)CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8373841 QBXKFQCQBJJUAY-UHFFFAOYSA-N 367.320 4.614 0 40 FJAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccs1 9204296 HIRKTIRBAHUIIC-UHFFFAOYSA-N 361.850 4.602 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CCCc1nc(-c2ccccc2)no1 9478621 ZTTXRIZRDIFVOI-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2)cc1 9514208 QHNFFFPRJNQLQM-OAHLLOKOSA-N 366.490 4.516 0 40 FJAB CCc1ccc(-c2ccc3nnc(SCc4ccccc4F)n3n2)cc1 9829107 CBJYUAQGSRFLTK-UHFFFAOYSA-N 364.449 4.785 0 40 FJAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2c(c1)CCC2 10535973 GSQMDMMWZVBMMD-LLVKDONJSA-N 366.408 4.708 0 40 FJAB O=C(/C=C/c1cccc2cccnc12)OCCOc1cccc(Cl)c1 12824249 FMLYPEPTJICWSF-MDZDMXLPSA-N 353.805 4.524 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(F)cc1 12918985 ZUCULGIAJXJSJT-UHFFFAOYSA-N 352.390 4.625 0 40 FJAB Cc1ccc2cc(CN(C(=O)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 13750527 WMOFGJDYJNMSTD-UHFFFAOYSA-N 374.484 4.812 0 40 FJAB C[C@H](Oc1ccccc1)c1nnc(SCc2ccccc2Cl)n1C 13849329 VYZRMFNGDZQJBI-ZDUSSCGKSA-N 359.882 4.901 0 40 FJAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 14654408 FISHZRVOZIKEEV-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB Cc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 15838600 NCDGRVCWWBYKFL-UHFFFAOYSA-N 356.219 4.686 0 40 FJAB C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 17309598 WFOYAGOPHNTAMD-SFHVURJKSA-N 354.457 4.785 0 40 FJAB Cc1cccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1 18060553 JUKXAIIPSKOEIJ-RCCKNPSSSA-N 368.436 4.943 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(OC)cc1 22532624 ISIWXWQTXJPOMB-IERDGZPVSA-N 363.457 4.883 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc2ccccc12 26748048 IZHSSSOQGFNZCI-OAHLLOKOSA-N 373.481 4.778 0 40 FJAB CC1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 29596198 PNXNFPPGVHNVJS-UHFFFAOYSA-N 366.486 4.992 0 40 FJAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccc(F)cc3Cl)c2C)cc1 30821181 JHRNUPUDXOZFQG-UHFFFAOYSA-N 357.816 4.842 0 40 FJAB COc1ccc(NC(C)=O)cc1NCCOc1ccc(C(C)C)c(C)c1 32810875 WTAJMRHPNWBOBV-UHFFFAOYSA-N 356.466 4.576 0 40 FJAB CC(C)=C1OC(=O)C(C)(C)N2c3ccccc3[C@@H](c3ccccc3)[C@H](C)N12 38337605 OZZVROPRARXLBN-OXJNMPFZSA-N 362.473 4.831 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccccc2Cl)on1 40086752 NXAWHCALSMAZET-UHFFFAOYSA-N 352.699 4.665 0 40 FJAB Cc1c(Cl)ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c1Cl 54363223 TUNUARJUWWSXNL-UHFFFAOYSA-N 352.327 4.795 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)NCC[C@@H](O)c3ccccc3)sc2c1 72243114 XIOQPSMWUYMHIE-OAHLLOKOSA-N 359.878 4.717 0 40 FJAB Cc1c(Cl)ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c1Cl 72414263 UOKDUSIXTKJXHC-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB C[C@H](N[C@H](C)CC(=O)Nc1ccccc1)c1cccc(Br)c1 78282215 LYLIMNXRRNEDBX-KGLIPLIRSA-N 361.283 4.517 0 40 FJAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)c2ccccc12 85565140 JNINQQRUBLKRBL-UHFFFAOYSA-N 371.893 4.569 0 40 FJAB C[Si]1(C)N(c2ccccc2)[Si](C)(c2ccccc2)N1c1ccccc1 195752825 XGPFQEGNLPDNJJ-UHFFFAOYSA-N 360.609 4.694 0 40 FJAB Cc1cc(C)cc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218832243 NSBDKNBNAPVHOI-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB O=C(NCCSCc1ccco1)c1cccc(OCc2ccccc2)c1 218976354 OZWGYUVGHFNSCC-UHFFFAOYSA-N 367.470 4.522 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(C)c1 223032628 PHPCJPVVZXQKRM-APWZRJJASA-N 357.519 4.893 0 40 FJAB O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CCCC1 224963058 AYQYKIJNVMYSIU-UHFFFAOYSA-N 352.821 4.898 0 40 FJAB Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1F 225603205 BNKDLMQOTQGMBA-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)c2cccnc12 225886407 PSLUOTXCJRHUTC-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB c1ccc(C[C@@H]2CCCN(Cc3ccccc3OCc3cccnc3)C2)nc1 257235531 GYFMXGMMSZSCBN-FQEVSTJZSA-N 373.500 4.510 0 40 FJAB Cc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 302901489 SUVQSARREGCXBY-UHFFFAOYSA-N 372.497 4.973 0 40 FJAB COC(=O)c1ccc(CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)o1 408554850 UXUINFFSXVHHMD-UHFFFAOYSA-N 374.849 4.777 0 40 FJAB COc1c(F)c(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(F)c1F 408621942 NCTWQHUNFIYPKQ-UHFFFAOYSA-N 368.113 4.811 0 40 FJAB CC(C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105890 WQSPYYZMGNOEAV-UHFFFAOYSA-N 353.437 4.544 0 40 FJAB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1csc(-c2cccc(F)c2)n1 605366268 UGCFLIUASBHXNT-QWQRMKEZSA-N 358.482 4.671 0 40 FJAB CC(C)c1nccn1CC1CN(c2ccnc3cc(C(F)(F)F)ccc23)C1 2087148937 MDTJQNJZUYYUMF-UHFFFAOYSA-N 374.410 4.710 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)cc1 956946 PIPBBDMIXMLPGN-UHFFFAOYSA-N 358.441 4.633 0 40 FJAB O=C1c2ccccc2C[C@H]1Sc1ncccc1-c1nc2ccccc2[nH]1 1329596 ADNOSVPRDUYMRF-GOSISDBHSA-N 357.438 4.525 0 40 FJAB Cc1cccc2cc3c(N)c(C(=O)N4c5ccccc5C[C@@H]4C)sc3nc12 1342860 IVPQCEAWIGWEKQ-ZDUSSCGKSA-N 373.481 4.932 0 40 FJAB CN(C)CCCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1774683 VCOAVFAHFJDIGU-UHFFFAOYSA-N 362.521 4.958 0 40 FJAB COc1ccc(CC(=O)Oc2ccc(Cl)c3ccccc23)cc1OC 3327632 YAVUCIZOUVUULZ-UHFFFAOYSA-N 356.805 4.659 0 40 FJAB COc1cccc(NC(=O)[C@H](NCCC2=CCCCC2)c2ccccc2)c1 3351487 LGJFTMWAOSYOOQ-JOCHJYFZSA-N 364.489 4.855 0 40 FJAB CC(C)n1c2ccccc2c2nnc(SCCOc3ccccc3)nc21 4623006 LKIYKLUKVDXHKL-UHFFFAOYSA-N 364.474 4.732 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)O[C@H]3CC[C@H](C)[C@H](C)C3)sc2c1 4686044 MGGCOHQHXRYZCS-ZNMIVQPWSA-N 374.506 4.691 0 40 FJAB Cc1nc(SCc2nnc(-c3ccco3)o2)c2c(C)c(C)sc2n1 5428736 APYRMCCNZBIAGM-UHFFFAOYSA-N 358.448 4.552 0 40 FJAB CCN(CC)CC[C@@](CCc1ccccc1)(C(=O)OC)c1cccs1 6382386 CEHPYKHGMYQFNH-OAQYLSRUSA-N 359.535 4.524 0 40 FJAB CCCC(=O)Nc1cccc(NC(=O)COc2ccc([C@H](C)CC)cc2)c1 6592912 ZUNDLNAHELUMMY-MRXNPFEDSA-N 368.477 4.956 0 40 FJAB O=C1c2ccccc2N[C@H](c2cnc3ccccc3n2)N1c1ccc(F)cc1 7363709 DUGIRUVJWKBYSX-NRFANRHFSA-N 370.387 4.540 0 40 FJAB COc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1Cl 7981833 WQELIDXDHIBQAJ-UHFFFAOYSA-N 372.877 4.936 0 40 FJAB Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)nn2c(O)c1Cl 8580428 GGKFHDLXEDMNNC-UHFFFAOYSA-N 358.854 4.533 0 40 FJAB aggregator COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)c2ccccc2)cc1 8719480 RRGGDGNPBMIWHF-QFIPXVFZSA-N 365.860 4.797 0 40 FJAB c1ccc(-c2csc3nc(-c4cccnc4)nc(-n4ccnc4)c23)cc1 8745076 NRJHQZHEXIPICN-UHFFFAOYSA-N 355.426 4.606 0 40 FJAB CC[C@@H](C)c1ccc(Cn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)cc1 8845091 GDSRWHOJGFGLER-VQIMIIECSA-N 361.489 4.544 0 40 FJAB CC(C)c1nnc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)s1 8941818 QMPFNEKUBPHSAU-UHFFFAOYSA-N 357.410 4.845 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccccc3F)ccc1O2 9134966 DDOYYPOMQHVOSV-UHFFFAOYSA-N 362.360 4.744 0 40 FJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1C 9320916 SCKTXDRDHXPYFV-OAHLLOKOSA-N 367.836 4.527 0 40 FJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12578377 NNGWOQSMXMWAQJ-MRXNPFEDSA-N 359.351 4.559 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)C3C4CC5CC(C4)CC3C5)s2)cs1 12621023 JSYMTJZIZZLFJW-UHFFFAOYSA-N 372.559 4.869 0 40 FJAB COc1ccc(CCC(=O)Nc2ccccc2SC(F)F)cc1OC 12772472 FXOAOGMQGFRYQA-UHFFFAOYSA-N 367.417 4.590 0 40 FJAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13648988 NKMBQEXHSXCWIT-ZDUSSCGKSA-N 351.899 4.677 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCCCC2 14806936 VFTKBJKPPKOBLB-UHFFFAOYSA-N 353.491 4.855 0 40 FJAB CCCCN(CC)C(=O)/C(=C/c1ccc(C(C)C)cc1)n1ccccc1=O 20058027 BXABBLJHVCJXJS-FXBPSFAMSA-N 366.505 4.618 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)cc1 20105397 UDBRGTORKWKALR-INIZCTEOSA-N 362.267 4.862 0 40 FJAB COc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 20896878 UFTNNWLROYIHFB-UHFFFAOYSA-N 371.433 4.508 0 40 FJAB Nc1cc(-c2cccc(Cl)c2)nc2cc(-c3cccc(Cl)c3)nn12 22077258 OJDSZHGOCBOQDE-UHFFFAOYSA-N 355.228 4.952 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ccccc1 22245708 ZKKQNGGNJACNDZ-LBPRGKRZSA-N 355.438 4.825 0 40 FJAB Cc1cc(C)c(NC(=O)CNc2ncc(C(F)(F)F)cc2Cl)c(C)c1 24685065 VFJFVBNUFLFJHD-UHFFFAOYSA-N 371.790 4.730 0 40 FJAB Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccn3)c2c1 27976935 XBVWGEPDJKOKRI-UHFFFAOYSA-N 373.481 4.905 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1cccs1 32623063 YOJIXPANXCUNIU-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB O=C(Cc1ccccc1)Nc1cccc(-c2nc(-c3ccccc3)no2)c1 33012733 IFESRQXHQVDPON-UHFFFAOYSA-N 355.397 4.585 0 40 FJAB CC(C)c1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 43192106 ILAKXLZRTGIRKM-UHFFFAOYSA-N 350.462 4.937 0 40 FJAB Fc1ccc2nc(-c3ccccc3I)sc2c1 45920092 MPHPYWNVWDIWMW-UHFFFAOYSA-N 355.175 4.707 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1csc(-c2ccccc2)n1 48202237 DQMQOTDOWLQUJY-UHFFFAOYSA-N 374.425 4.645 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(Nc3ccccn3)n2)cc1 48300808 VVRMPGRDXJDLGU-UHFFFAOYSA-N 352.463 4.933 0 40 FJAB CCCNC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 59800398 UNJZKAWJOXYCNJ-UHFFFAOYSA-N 372.468 4.675 0 40 FJAB O=C(NCCOc1cccc2ccccc12)c1[nH]c2ccccc2c1Cl 65504780 OIJJSNXUGQAQCM-UHFFFAOYSA-N 364.832 4.783 0 40 FJAB Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c1 67296210 UYZMRCPDVYPVBP-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB COCc1c(C(=O)Nc2nc3cc(F)c(F)cc3s2)oc2ccccc12 69458695 QEKGENDPTAOCLQ-UHFFFAOYSA-N 374.368 4.719 0 40 FJAB Fc1ccccc1Cc1nnc(C2(c3ccccc3Cl)CCOCC2)o1 71890001 HLIGBWISWSENQT-UHFFFAOYSA-N 372.827 4.549 0 40 FJAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 72219317 RZHPWNUEVWFDHW-OAQYLSRUSA-N 363.505 4.748 0 40 FJAB c1ccc(CCN2CCC[C@H]2c2cccc(Nc3nccs3)n2)cc1 72375142 QPMGTRIEMHGROA-SFHVURJKSA-N 350.491 4.661 0 40 FJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 75437248 GZEVDSIXDMMDHK-UHFFFAOYSA-N 357.335 4.723 0 40 FJAB CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 95469142 VLCPOTZXOGYDRL-HZPDHXFCSA-N 358.404 4.811 0 40 FJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 106127217 FQBZBCPPRLDJTD-VWNVYAMZSA-N 373.500 4.789 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(OC(C)C)cc1 113970109 HXUMGFXHEFZOAC-FQEVSTJZSA-N 355.478 4.564 0 40 FJAB CN1C[C@H](c2cc(Cl)ccc2O)[C@@H](c2ccccc2Br)C1 137684689 NXKADSGVHJFCNG-HUUCEWRRSA-N 366.686 4.621 0 40 FJAB Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 162668885 DAQOQDVDEJACGZ-UHFFFAOYSA-N 370.758 4.553 0 40 FJAB CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223058493 DRIZNIDWWFUKJQ-IBGZPJMESA-N 363.910 4.648 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1cc(C)cc(C)c1 224529040 QKBNGWLVKWIXCB-QGZVFWFLSA-N 355.478 4.809 0 40 FJAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)c(C)c1 225114844 TVOMYZWEEFERCC-OAQYLSRUSA-N 351.490 4.829 0 40 FJAB Cc1ccccc1-c1noc(CCC(=O)N[C@H](C)c2ccc(Cl)cc2)n1 225817148 FHCHCJHGQMZLNE-CQSZACIVSA-N 369.852 4.508 0 40 FJAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 226254924 JKAJOTWAZMEYHW-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(F)c3)nc2c1 226282493 KOXVBAZFJYNVJU-UHFFFAOYSA-N 352.287 4.549 0 40 FJAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1Cl 260733034 DSUCBGKLANSTPW-OAHLLOKOSA-N 373.953 4.776 0 40 FJAB Cc1cc(NC(=O)N(C)[C@@H](C)c2ccco2)cnc1N1CCCC[C@@H]1C 331363049 ABDMIRFHUDNQMB-HOTGVXAUSA-N 356.470 4.587 0 40 FJAB COc1cccc2cc(C(=O)NC[C@H](c3ccco3)c3cccs3)oc12 585146697 DBGNSHYNQJGUKG-CQSZACIVSA-N 367.426 4.658 0 40 FJAB O=C(Nc1c(F)cccc1Cl)c1cncc(-c2ccc3c(c2)CCO3)c1 680322932 VMOQEJUNZWPWNW-UHFFFAOYSA-N 368.795 4.728 0 40 FJAB Cc1ccccc1NC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 936597 DHKHUMVXSHDOJM-RPWUZVMVSA-N 371.484 4.906 0 40 FJAB CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 1071167 UFJBHDQRSCWNNT-UHFFFAOYSA-N 363.200 4.887 0 40 FJAB aggregator Cc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336923 SYYIRNKDUIVHNP-UHFFFAOYSA-N 372.921 4.940 0 40 FJAB CCCCCCc1cc2cc(C(=O)Nc3ccccc3)c(=O)oc2cc1O 2181981 AQDYDAMQHUEUAG-UHFFFAOYSA-N 365.429 4.874 0 40 FJAB CCc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1 2446380 CJEDLMXRLJJSQO-UHFFFAOYSA-N 354.456 4.975 0 40 FJAB CCOc1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120608 AMWGNTNTNSORNE-DNQXCXABSA-N 374.436 4.987 0 40 FJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCC(C)C)cc1 3243224 IQQQUJWTYCIKPQ-UHFFFAOYSA-N 364.445 4.751 0 40 FJAB Cc1ccc(NC(=O)CCc2ccccc2Cl)c(Br)c1 3427680 BWNOZMRUBGBTHC-UHFFFAOYSA-N 352.659 4.982 0 40 FJAB CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@]2(C#N)O1 4027293 JQXOTYALWMLXAU-ZCJFVORRSA-N 369.505 4.542 0 40 FJAB biogenic CCCCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12 4267262 AYZOQKVNQANGCV-UHFFFAOYSA-N 366.417 4.822 0 40 FJAB CC(C)(C)CC(C)(C)NC[C@H](O)Cn1c2ccccc2c2ccccc21 4907174 CAGJYPPSBOQDCU-KRWDZBQOSA-N 352.522 4.960 0 40 FJAB Cc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)c1 5013377 VYQFNCSCSRTDQJ-UHFFFAOYSA-N 357.866 4.769 0 40 FJAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 5577017 STWLEJRWQVISGF-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)c1 5747291 JZWDLURPQCXLNQ-JTQLQIEISA-N 354.233 4.502 0 40 FJAB CCN(C(=O)CCc1ccc(OC)cc1)c1nc2c(C)cccc2s1 6507336 UACTXCKEDVBKBK-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB CCN(C(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 6654325 MJGSTTVFXDLBOC-LBPRGKRZSA-N 359.882 4.750 0 40 FJAB Cc1cccc(C)c1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 8603539 BHVQTXXXJRJAJQ-UHFFFAOYSA-N 362.454 4.619 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 8851369 LSGLIKLITGUCHW-CYBMUJFWSA-N 356.422 4.664 0 40 FJAB CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546553 MZAHBXBXJLSIHJ-MRXNPFEDSA-N 367.836 4.603 0 40 FJAB CC1(C)CCCC(C)(C)N1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 10383800 RHWLUUIZJHMORH-QSVDNLTKSA-N 363.586 4.623 0 40 FJAB C[C@@H](Sc1ccc(Cl)nn1)C(=O)Nc1ccccc1-c1ccccc1 10653494 POHUPULDPOXYJO-CYBMUJFWSA-N 369.877 4.916 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 10979179 OUBOEITVFFBJBH-UHFFFAOYSA-N 359.731 4.542 0 40 FJAB O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c2ccncc12 12557875 ILLDUEVZYNJQGF-UHFFFAOYSA-N 363.436 4.545 0 40 FJAB COc1ccc2cc(CN(C)CC(=O)Nc3ccc(C)cc3C)ccc2c1 12765735 NSWJLDGLIIPZRG-UHFFFAOYSA-N 362.473 4.536 0 40 FJAB CCOC(=O)c1c(C)oc2ccc(Oc3ncnc4sccc34)cc12 12929843 JVUKTXPOGZEZOC-UHFFFAOYSA-N 354.387 4.715 0 40 FJAB Cc1ccc(NC(=O)c2sc(=S)n(Cc3ccccc3)c2N)c(C)c1 13547278 IMDNEGLJDLYRAG-UHFFFAOYSA-N 369.515 4.779 0 40 FJAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1Br 14230843 SZHILOFQBCOSGM-VIFPVBQESA-N 356.622 4.733 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 15583915 MQQFSGTZHGDMLH-UHFFFAOYSA-N 367.424 4.572 0 40 FJAB CCOc1ccc(SCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301704 DCJDIXUEYUOVDQ-UHFFFAOYSA-N 369.408 4.513 0 40 FJAB CCCn1nc(C)c(-c2cncn2CCCOc2ccccc2C)c1C 19654547 NVYLNXOCUMAXMT-UHFFFAOYSA-N 352.482 4.551 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C)cc1 20104639 UDAXIYGSENTWOG-QFIPXVFZSA-N 363.457 4.501 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20141753 SAESRQMANPEHIF-UHFFFAOYSA-N 365.429 4.788 0 40 FJAB O=C(Nc1ccc(F)cc1Br)c1ccccc1C(F)(F)F 20430088 SKBKFLDWMLQDIL-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(OC)cc1 20488121 VALVIKCDFCVMLI-WOJBJXKFSA-N 355.478 4.737 0 40 FJAB Cc1cc(Nc2ccccc2C)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 20853465 YDNLTEQKIOEMTQ-UHFFFAOYSA-N 373.504 4.953 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2c(C)noc2C)c2ccccc2)cc1 22135152 KZGGBOIXUCMVSW-SFHVURJKSA-N 364.445 4.601 0 40 FJAB c1ccc([C@H]2CN(Cc3nc(-c4ccsc4)no3)Cc3ccccc32)cc1 26100199 KIDMRUWOPFHHSE-HXUWFJFHSA-N 373.481 4.946 0 40 FJAB COc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1OC 33530713 CDKSWFFCJXMRMR-KAMYIIQDSA-N 369.442 4.719 0 40 FJAB CCC(=O)Nc1cccc(C(=O)OC(c2ccccc2)c2ccccc2)c1 33668679 DQMOSXRFORKZIB-UHFFFAOYSA-N 359.425 4.982 0 40 FJAB Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1 36738580 MUAPZCRYPYAVOD-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB Cn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2cc(Cl)ccc21 40139017 AJTZPPAAYIOAJZ-UHFFFAOYSA-N 364.758 4.644 0 40 FJAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1OC 46634973 MINOGBCLDHGASU-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB N#CCc1ccc(Oc2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1 57407184 AALDVCYQXHYJQG-LFYBBSHMSA-N 355.397 4.592 0 40 FJAB Fc1ccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)cc1 67261377 KJCWDCHPFYQNRC-UHFFFAOYSA-N 361.424 4.828 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358951 CDDLTXCBPLNESW-QGZVFWFLSA-N 369.896 4.693 0 40 FJAB Cc1nc2ccccc2nc1C[S@@](=O)Cc1c(Cl)cccc1Cl 84057616 KIAYYPRXAHFGKE-HSZRJFAPSA-N 365.285 4.694 0 40 FJAB O=C(Nc1cccc(-c2ncco2)c1)c1csc(-c2cccs2)n1 89780579 QLYTXMIUPDNVRG-UHFFFAOYSA-N 353.428 4.779 0 40 FJAB Cc1cc(C)c(-c2nc(N3CCCCCC3)sc2CC(=O)O)c(C)c1 95097132 DBRVUOCHDBTABS-UHFFFAOYSA-N 358.507 4.743 0 40 FJAB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)Nc1ccc(F)cc1 96037617 OBPPOCVXGPFXHW-UHFFFAOYSA-N 372.403 4.541 0 40 FJAB CCCCCOCCN(CCOCCCCC)CCOCCCCC 96191749 ABTMVGZCKVQZHG-UHFFFAOYSA-N 359.595 4.909 0 40 FJAB Cc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3ncnc3N2)cc1 101097181 DIUNIXOMRCBGJY-INIZCTEOSA-N 357.244 4.949 0 40 FJAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Cl)cc1 216829984 KUMHALZNGNHFKN-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1Cl 220017991 OBVGARVXRHEBGM-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 222864204 JHOFNWYYQIZUEJ-NHCUHLMSSA-N 355.478 4.756 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccccc2Cl)cc1 223651028 RTYXBMPSGGMINZ-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nnc(SCC(C)C)s2)cc1 223862693 PFMUWEAEYHCCPQ-UHFFFAOYSA-N 367.565 4.716 0 40 FJAB Cc1c(Cl)cnc(NC(=S)NCCCc2ccc(F)cc2)c1Cl 223966814 YQIBQGFXTGYASO-UHFFFAOYSA-N 372.296 4.755 0 40 FJAB C[C@@H](CNC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 224336861 CQDKSVOWGZVYSA-IBGZPJMESA-N 370.496 4.783 0 40 FJAB COc1ccc(CN(C)C(=O)CCc2c(Cl)cccc2Cl)cc1 225358247 XMQNDMUOVMPJHM-UHFFFAOYSA-N 352.261 4.593 0 40 FJAB Cc1cccc(CCC2(NC(=S)Nc3cccc(C)n3)CCCC2)c1 225873225 KLHNECWGDUTYNJ-UHFFFAOYSA-N 353.535 4.930 0 40 FJAB CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1[C@@H](C)O 257350308 WESDBOJFPODCAU-DRKRNBKLSA-N 362.554 4.958 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c(Cl)c3)N21 260778139 RCOGFSMZVNJCSV-XWIAVFTESA-N 373.909 4.723 0 40 FJAB Cc1nnc(-c2ccc(C(=O)N[C@H]3CCC(C)(C)c4ccccc43)cc2)o1 608011371 LGFBDWDBZNLCAF-IBGZPJMESA-N 361.445 4.588 0 40 FJAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 672862 GQVDLGAVVPXHTC-CQSZACIVSA-N 370.518 4.621 0 40 FJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4ccccc4F)n3c2c1 903100 YMXXRAIOUFSQLX-UHFFFAOYSA-N 365.433 4.613 0 40 FJAB COc1cccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c1 933863 CTJVBPWQEKSZKW-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CC(C)C(=O)N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 973357 PBNHHNSWAGXQDK-OAHLLOKOSA-N 359.684 4.720 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(NC(=O)c2ccco2)c1 1006615 AZCAGYVSYRAZIE-UHFFFAOYSA-N 358.756 4.577 0 40 FJAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 2465876 INIMCWPGDGPOKV-SNVBAGLBSA-N 350.821 4.870 0 40 FJAB CSc1ncccc1C(=O)NCCC(c1ccccc1)c1ccccc1 2653168 RDOOMAILMBVSPD-UHFFFAOYSA-N 362.498 4.756 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCCc1cccs1 3216522 YGNVLFHPFSPQJG-UHFFFAOYSA-N 359.491 4.685 0 40 FJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3)s2)c1C 3234912 CHEQWCWAHJGXBG-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB Cc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)o1 4085564 LUHJHVPLHDFGIU-HTAPYJJXSA-N 354.409 4.760 0 40 FJAB biogenic Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1 6079672 AQBTUGWGBATSFM-UHFFFAOYSA-N 352.821 4.875 0 40 FJAB CC(C)COc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 6563780 DCWUETFFSPOJHX-UHFFFAOYSA-N 352.478 4.964 0 40 FJAB O=C(Nc1nonc1-c1cccs1)c1sc2ccccc2c1Cl 6755521 LMRZKEPUVAHYJD-UHFFFAOYSA-N 361.835 4.919 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)Cc1c(Cl)cccc1Cl 6789755 OQPZGNHXLQXNMU-UHFFFAOYSA-N 365.285 4.804 0 40 FJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3C)n2C)cc1 6963728 LLGOJRIKQXVULX-DQRAZIAOSA-N 366.486 4.510 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 7061606 DTASLGBXEBMXJJ-UHFFFAOYSA-N 352.217 4.715 0 40 FJAB CCCCNCc1cc(Br)cc(Br)c1OCC 7261651 UEGFVYCEQGNWKS-UHFFFAOYSA-N 365.109 4.500 0 40 FJAB COC(=O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1 7538856 GATUGWISHPHGLS-UHFFFAOYSA-N 355.821 4.676 0 40 FJAB Cc1cc(-n2c(C)cc(C(=O)CSCc3ccccc3F)c2C)no1 7777619 FBQALXFTEXIQMF-UHFFFAOYSA-N 358.438 4.646 0 40 FJAB Cc1ccc(CSCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 8306425 ISFIRSRQSHARFX-QGZVFWFLSA-N 359.560 4.666 0 40 FJAB Cc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1 8770013 YYSZPOVVPXYERR-UHFFFAOYSA-N 357.866 4.769 0 40 FJAB Cc1ccccc1[C@H]1CC(=O)c2cnn(-c3nc4ccccc4s3)c2C1 9698396 USZSCUPMBZEILA-CQSZACIVSA-N 359.454 4.703 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2cc(C)cc(C)c2)c1 10444120 IBNZHWRUGASHAE-UHFFFAOYSA-N 371.502 4.660 0 40 FJAB O=C(CNc1cc(Cl)ccc1F)N[C@@H](c1ccccc1)c1cccs1 10945706 KLUHAXWQJLPORR-IBGZPJMESA-N 374.868 4.858 0 40 FJAB O=C(Cc1csc(-c2ccco2)n1)Nc1cc(Cl)cc2cccnc12 12824922 COGPKIMSRNHHAP-UHFFFAOYSA-N 369.833 4.786 0 40 FJAB Cc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)c(Br)c1 13141636 UNVCNMRCLXYWBB-UHFFFAOYSA-N 369.642 4.704 0 40 FJAB COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc(Cl)c1OC(C)C 14598003 CUGQJGGMJAUORI-PBHICJAKSA-N 365.901 4.931 0 40 FJAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc(F)c(F)cc1Cl 16431122 DCNBLXDVHKKYLN-UHFFFAOYSA-N 374.818 4.908 0 40 FJAB Fc1ccc(COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)cc1 16525876 ROVIFVHBXMNNKU-FQEVSTJZSA-N 365.448 4.827 0 40 FJAB COc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)nc2c1 17166806 YMKQAKXIBAMRJO-UHFFFAOYSA-N 374.484 4.647 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OC(C)C)cc2)cc1 20454940 JCJNAXOOUOIVKX-NRFANRHFSA-N 355.478 5.000 0 40 FJAB O=C(Nc1cc(=O)oc2ccccc12)C(c1ccccc1)c1ccccc1 20718467 AKJKVIDMTYJERE-UHFFFAOYSA-N 355.393 4.564 0 40 FJAB Cc1noc(-c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 22458166 HRMYSLJNMABETR-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB COCc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 25914715 NSRUWNNYGQNBJQ-UHFFFAOYSA-N 356.422 4.656 0 40 FJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cccc(F)c1 28042952 FLTTVKAKPJBSNY-JTQLQIEISA-N 362.253 4.514 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3)N(C)C)sc2c1 28288114 OTSWLDOTQNERAH-MRXNPFEDSA-N 372.921 4.896 0 40 FJAB COc1ccc(OCc2ccc(C(=O)OCc3ccccc3Cl)o2)cc1 28578124 VTLZMSBDVBZQKQ-UHFFFAOYSA-N 372.804 4.878 0 40 FJAB CC(C)(C)[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 32832742 HYQMJFYJYLFNHG-HXUWFJFHSA-N 363.461 4.573 0 40 FJAB Fc1ccc2nc(-c3cccc(I)c3)sc2c1 45920090 XCONPFQQIQHGEW-UHFFFAOYSA-N 355.175 4.707 0 40 FJAB O=C(Cc1ccccc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349002 DTUZFXOIAPULNV-UHFFFAOYSA-N 370.496 4.621 0 40 FJAB O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2ccc3nccnc3c2)S1 72402025 CVCMMEHCFSKBBN-PXNMLYILSA-N 368.368 4.626 0 40 FJAB C[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1 95468628 LPYRLUWIVBYJFA-KRWDZBQOSA-N 350.437 4.993 0 40 FJAB COC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1F 96008709 KKNBNWQWYLWVHK-DLBZAZTESA-N 370.424 4.870 0 40 FJAB CCCC[C@@]1(CCN(C(C)=O)[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96113984 NYWWAIACGJVGOL-SIKLNZKXSA-N 367.574 4.948 0 40 FJAB biogenic Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1 101084940 HZIHNGNMMJBILH-QAPCUYQASA-N 373.250 4.527 0 40 FJAB CCOc1cccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 107947434 VKLWXNFXKUSFSE-KRWDZBQOSA-N 355.478 4.601 0 40 FJAB Cc1ccccc1CSCCNC(=O)COc1ccc(C(C)C)cc1 218959421 CRQHSCJLFZOYPX-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219312939 GYQLPVVVADLGMQ-ROUUACIJSA-N 353.462 4.571 0 40 FJAB CC(C)Oc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 219731887 AMBWOUXFVVONFG-UHFFFAOYSA-N 363.910 4.790 0 40 FJAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc3ccccc23)c2ccccc12 222611904 HMZXWAXYLRHQMK-OAHLLOKOSA-N 373.408 4.689 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 222960361 CVPANAVELPWVQS-WOJBJXKFSA-N 370.566 4.853 0 40 FJAB S=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CCCCC1 224038941 GFIXSAXWMPOLDG-UHFFFAOYSA-N 366.534 4.785 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)c1 224223505 RGUUTIULGHIXIA-RTBURBONSA-N 365.527 4.937 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225088853 RZKZRNFJYNKNCU-KRWDZBQOSA-N 353.245 4.993 0 40 FJAB COc1ccccc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225312343 WSXFXZPMORVPBW-UHFFFAOYSA-N 374.815 4.854 0 40 FJAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)N2CCCCCC2)cc1 225454818 UILHQQHSMDXANX-UHFFFAOYSA-N 367.518 4.820 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccccc1 225480808 REKOKOOEGCEERG-MRXNPFEDSA-N 362.882 4.564 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(OC)c2)cc1 225497540 HDPHCEBRUWPHSI-LJQANCHMSA-N 358.507 4.778 0 40 FJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225565963 ZSGJSQWCZAXLHS-GOSISDBHSA-N 367.489 4.859 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 225592672 UOEFXGFJDJWTJU-UHFFFAOYSA-N 371.433 4.514 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225761460 OAIMTHICHFSUDU-LJQANCHMSA-N 370.518 4.855 0 40 FJAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3C)n2)c1 225813662 UGXYEMBJGUOOPD-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cc1nc(N[C@H](C)c2cn(C)nc2C)c2cc(-c3ccccc3)sc2n1 524103836 AEZXQVHZRJMTFO-GFCCVEGCSA-N 363.490 4.882 0 40 FJAB Cc1c(-c2nnc(SCc3ccccc3)s2)sc(=S)n1C 524734856 RNHXYSVXSOACQA-UHFFFAOYSA-N 351.547 4.935 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(Br)c1 934645 WSAAIAWAAWWEET-ZDUSSCGKSA-N 362.267 4.726 0 40 FJAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cc(C)ccc1OC 953645 BDBXNDZIBUMJAF-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB Cc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1C 1358375 PISQMLOMNUOCMK-INIZCTEOSA-N 364.518 4.756 0 40 FJAB CCc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCC3 2213338 WHGYJLOLAOYGDM-UHFFFAOYSA-N 366.515 4.682 0 40 FJAB Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)c1 2361308 CRPGZDKAQLIATP-UHFFFAOYSA-N 372.425 4.517 0 40 FJAB CCOc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 2379105 WGPIWNUOGWGTIY-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1 2379579 WRUZYNZULIFZFW-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB CC(C)c1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1 2626442 AGOUVXIVTPWNBF-GZTJUZNOSA-N 370.246 4.917 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2c(F)cccc2Cl)cc1 3300032 WONRACUJAJCZLL-LBPRGKRZSA-N 363.816 4.788 0 40 FJAB C[C@@H](OC(=O)c1ccc(Cl)cc1O)C(=O)c1ccc(C(C)(C)C)cc1 3361448 XFDKQBDLHLBHFA-GFCCVEGCSA-N 360.837 4.771 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccccc2C)cc1 4496655 RRFCJALCIALPAS-UHFFFAOYSA-N 371.502 4.824 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2)cc1 4863795 VOBQLHPGXJPHGM-CCEZHUSRSA-N 371.484 4.873 0 40 FJAB CCOc1ccc2oc(=O)cc(CN(Cc3ccco3)C3CCCC3)c2c1 4943055 PVUVDSXASVWMHY-UHFFFAOYSA-N 367.445 4.730 0 40 FJAB biogenic,in-vitro COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 4988475 DPLDDSBQPJJUBR-UHFFFAOYSA-N 374.396 4.770 0 40 FJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)o2)cc1 5210516 OZVBVMLJPYTWDG-NSHDSACASA-N 360.385 4.687 0 40 FJAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)ccc3C)n2)cc1 5211782 NGJBIUUMWOEXRJ-UHFFFAOYSA-N 351.475 4.626 0 40 FJAB CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 5268983 HYVACMNSZNKGJN-KRWDZBQOSA-N 363.461 4.542 0 40 FJAB C/C(=C1\SC(=O)N(CNc2ccccc2Cl)C1=O)c1ccccc1 5369258 BKNMSIVMKBQLJM-FOWTUZBSSA-N 358.850 4.836 0 40 FJAB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 6204452 BXTGLXUDWPRQOF-YVLHZVERSA-N 353.443 4.554 0 40 FJAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 6441008 SVWZIHRAUTVVRO-UHFFFAOYSA-N 372.833 4.502 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2)c2c(C)c(C)sc2n1 6653956 AMSJZPWZYWEHAJ-GFCCVEGCSA-N 357.504 4.736 0 40 FJAB COc1ccc(-c2nc(NC(=O)C3(c4ccccc4)CC3)sc2C)cc1 7670623 DCYNATZLHKAIPX-UHFFFAOYSA-N 364.470 4.797 0 40 FJAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccccc3C)cc2)cs1 8250167 VFUVZLQOGMGVDU-UHFFFAOYSA-N 366.486 4.611 0 40 FJAB CCOC(=O)c1c(NC(=O)CCc2ccc(C)cc2)sc2c1CCCC2 10434078 QXQFGVNGWINLDI-UHFFFAOYSA-N 371.502 4.683 0 40 FJAB Cc1noc(-c2cnc(NCc3ccc(F)cc3)nc2-c2ccco2)c1C 12186803 YDSYSHRQJFQCGF-UHFFFAOYSA-N 364.380 4.760 0 40 FJAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1 12441700 LJPQBUOHUPYMSQ-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1nn(-c2ccccc2)c2c1CCC2 12757600 VCCASTKHUOFSGP-UHFFFAOYSA-N 372.255 4.920 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 12772514 JVCNKACFYWAVRT-CYBMUJFWSA-N 373.909 4.717 0 40 FJAB CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC(CO)CO 13540280 IEPGNWMPIFDNSD-KQHSAVHASA-N 354.531 4.696 0 40 FJAB c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 13564360 MGXJQLLOZXQAEP-LOSJGSFVSA-N 356.513 4.835 0 40 FJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccnc1Cl 16180512 ISGBPEPEBYGZEP-UHFFFAOYSA-N 356.784 4.596 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)C1(c2ccccc2)CCOCC1 16985255 ZQLJBMMZNDBGJF-UHFFFAOYSA-N 350.245 4.680 0 40 FJAB COc1ccc(OC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 19295753 UWZABDMYDHUKBZ-UHFFFAOYSA-N 359.834 4.620 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1 22522864 QXMOCKGEDTVDRW-KRWDZBQOSA-N 357.519 4.627 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220840 GGOGEQKTRJDWKH-KRWDZBQOSA-N 372.896 4.508 0 40 FJAB Cc1ccc(N(Cc2ccccc2)C(=O)Cc2noc3ccccc23)cc1 28250059 JDYIJWDWLUCKTQ-UHFFFAOYSA-N 356.425 4.912 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(-c2ccccn2)cs1 28605367 DLSRRMAPFYFQIY-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB O=C(O[C@@H](c1ccccc1)c1ccccn1)c1ccc(OC(F)F)cc1 32764587 HAZMGUNGWNOTIS-SFHVURJKSA-N 355.340 4.629 0 40 FJAB CC1=C[C@@H](CN(C)Cc2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 35442614 HZUFJHNPEQMTJR-FKBYEOEOSA-N 367.537 4.907 0 40 FJAB biogenic,in-vitro CCOc1cc(CN[C@@H](C)c2ccncc2)ccc1OCc1ccccc1 39976534 XEMSHSXDFVJKDC-SFHVURJKSA-N 362.473 4.910 0 40 FJAB CC1=C[C@]2(Nc3cc(C)cc(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545551 XSWSDBCIJLGBIS-JOCHJYFZSA-N 359.429 4.751 0 40 FJAB Cc1cc(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)no1 44919262 GZNAWIDXAHDBAV-UHFFFAOYSA-N 371.849 4.953 0 40 FJAB COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 45637490 BOEMITVQDHGZHV-CYBMUJFWSA-N 366.383 4.617 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(F)cc1)CO3 58088580 HBNACQMYNCCADK-UHFFFAOYSA-N 367.420 4.545 0 40 FJAB biogenic CCn1nnc2cc(C(=O)N(C)c3ccccc3Oc3ccccc3)ccc21 58156575 BYIJIHQJGOEYHC-UHFFFAOYSA-N 372.428 4.520 0 40 FJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc(OC(F)F)c2)S1 71287749 POHHPSBNOXXEMU-CYBMUJFWSA-N 353.394 4.657 0 40 FJAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Br)cc1F 71761208 YBJVIERJYKBALP-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1F 78875820 AVGRYIVZMBEBQU-OLZOCXBDSA-N 368.235 4.561 0 40 FJAB CCN(C(=O)c1cnc(-c2noc3ccccc23)s1)C1CCCCC1 96154549 KUFXLLWGYHXXOI-UHFFFAOYSA-N 355.463 4.746 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1cc(Cl)cc(Cl)c1 96586354 WIVRFIULXWQZDQ-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 113786403 UDGBHIAUUKLMPC-NUJGCVRESA-N 373.836 4.647 0 40 FJAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1cccc2ccccc12 214867888 OMAOSAYJTVTVKL-XDHOZWIPSA-N 361.422 4.782 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSc1ccc(C)cc1 222947410 NQFWSQDBSFXOOC-LJQANCHMSA-N 357.519 4.678 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222947439 JVPOREKUIFJHLG-CABCVRRESA-N 357.881 4.864 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NC2CCCCCC2)n1 225203414 WWDCRSNHYQINQH-UHFFFAOYSA-N 373.501 4.677 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1ccc(Cl)cc1 225286877 GLASDGQZVLAYSA-OAHLLOKOSA-N 357.881 4.645 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225748156 PKORTMQLFPXBSG-KDOFPFPSSA-N 361.869 4.692 0 40 FJAB C[C@]1(CCC(=O)O)[C@@H](CCC(=O)O)CC[C@@H]2[C@H]1CC[C@@]1(C)CCC[C@H]21 245240852 UJKJBNDDMOKPEE-CHYNRVTJSA-N 350.499 4.965 0 40 FJAB C[C@@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1 257202943 ANYRKJMGNHRREI-UUZHKXTQSA-N 352.430 4.806 0 40 FJAB O=C(Nc1ccccc1)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 257300064 RSSYSCGFANWRQX-DEOSSOPVSA-N 356.469 4.515 0 40 FJAB CCCN1CC[C@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@@H]12 306129144 HVRMBGCKDGCSBG-NOZRDPDXSA-N 371.528 4.919 0 40 FJAB COc1cccc(Oc2ccc(NC(=S)NC3CCCCC3)cn2)c1 408549835 ZYFICEVLEGGQQT-UHFFFAOYSA-N 357.479 4.502 0 40 FJAB COc1cccc(C)c1NC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 861020611 QMALWZXORIQJNT-OAHLLOKOSA-N 360.404 4.693 0 40 FJAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccc(Cl)cc1Cl 1013035 LJHAVWHTKMRGAB-ZSOIEALJSA-N 365.241 4.625 0 40 FJAB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3)C[C@@H]21 1453764 FODLTBILZCIWTG-NZQKXSOJSA-N 371.440 4.723 0 40 FJAB Cc1ccc([C@@]2(O)c3cccc4cccc(c34)[C@]2(O)c2ccc(C)cc2)cc1 1654132 HBACSMCHIMYSID-CLJLJLNGSA-N 366.460 4.942 0 40 FJAB CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1cccs1 2627520 ZQGAOKFCMZMGAX-UHFFFAOYSA-N 371.531 4.927 0 40 FJAB Cc1ccc(Cc2cnc(NC(=O)CNc3cc(C)ccc3C)s2)cc1 2887792 GIKXBFAWKLNHQB-UHFFFAOYSA-N 365.502 4.710 0 40 FJAB CCOc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1O 3212062 BODDTJGWFOKIOQ-NRFANRHFSA-N 357.413 4.780 0 40 FJAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F 3354510 UWBOFGDLDMAYDN-VIFPVBQESA-N 372.774 4.513 0 40 FJAB Cc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 4045859 PPSVEBKOJHFGQQ-UHFFFAOYSA-N 362.216 4.913 0 40 FJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2C)o1 4949969 KNUZOHBVOBHGNY-UHFFFAOYSA-N 367.474 4.647 0 40 FJAB Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6664276 CQTDDRPFYYUYCJ-QFIPXVFZSA-N 369.468 4.514 0 40 FJAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cc2ccccc2o1 7613840 YTTFNCFYIRAVFC-UHFFFAOYSA-N 359.385 4.614 0 40 FJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1C 7929222 TWXNBUUVMAPQCU-KRWDZBQOSA-N 365.473 4.559 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2ccccc2F)o1 7986106 WSOMLKDBSPVXNK-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(F)cc1 8230576 KLIUKRHYODCPKI-ZDUSSCGKSA-N 367.449 4.647 0 40 FJAB O=C(O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 8730871 CHUKUUKUBOAKJF-UHFFFAOYSA-N 368.607 4.593 0 40 FJAB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1 9010756 ZXPFIVAXBIHBSW-OAHLLOKOSA-N 362.454 4.891 0 40 FJAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 9328828 DCJWMRSQLQLICY-DHZHZOJOSA-N 371.849 4.623 0 40 FJAB CCOc1ccc2oc(C(=O)Nc3cc4c(cc3Cl)OCO4)c(C)c2c1 9530908 QRDVESRACPPKNK-UHFFFAOYSA-N 373.792 4.774 0 40 FJAB COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC 9754229 WMPKODLQDRUPJT-VOTSOKGWSA-N 352.217 4.663 0 40 FJAB O=C(NCCSCc1ccccc1F)c1ccc(Cl)cc1Cl 10280082 BQEXYPXYQVOLKD-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1ccccn1)c1ccccc1 11225448 IJJKKFLOQUUBIA-FQEVSTJZSA-N 364.470 4.871 0 40 FJAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Br)cc1C)C2 11402362 BZTVOHGFJFPGDA-MRXNPFEDSA-N 362.292 4.721 0 40 FJAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 12539177 ACKPMTDHZRQSHQ-CYBMUJFWSA-N 373.859 4.854 0 40 FJAB O=C(NCc1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl 12562256 DXVQPLFTJSCCKL-UHFFFAOYSA-N 359.813 4.500 0 40 FJAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)cc2)cs1 12563293 RYGHSHHGTIASNP-NSHDSACASA-N 373.428 4.836 0 40 FJAB COc1cc(CCC(=O)N[C@@H](C)c2cccc3ccccc23)cc(OC)c1 12730502 WMBPGFHIHDLLQH-INIZCTEOSA-N 363.457 4.667 0 40 FJAB COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)s2)c1 13690520 BCLZOWJGXBESHV-UHFFFAOYSA-N 366.442 4.582 0 40 FJAB CC(=O)NCc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 14022421 LCZIBZYHTGBGEU-UHFFFAOYSA-N 374.440 4.676 0 40 FJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 14095538 PLFCHZRFQZSXEN-LJQANCHMSA-N 361.489 4.509 0 40 FJAB Cc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 14198701 JQYRKCGGYVDZMO-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB COc1ccc(N2C(=S)N=C(Nc3cccc(C)c3)C23CCCC3)cc1 15162286 QEAFWOQFZIHPQP-UHFFFAOYSA-N 365.502 4.932 0 40 FJAB CCOc1ccccc1NC(=O)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 18100260 DZBNRLJJOLPANB-BIIJERNFSA-N 368.304 4.880 0 40 FJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C)cc1 19934794 GNCBAECKVJENMH-QGZVFWFLSA-N 372.317 4.873 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccccc1 20035936 RJQBZQVPLDKKEY-GCJKJVERSA-N 350.506 4.800 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20491277 CEQARQIYKIFGKE-QGZVFWFLSA-N 355.478 4.681 0 40 FJAB COCCCn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O 20799208 PQDLWCRONNQTQF-UHFFFAOYSA-N 370.452 4.767 0 40 FJAB O=C(CCc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 21410749 RCTMZMKUSHFUKZ-UHFFFAOYSA-N 370.924 4.575 0 40 FJAB CC[C@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1 21704043 ODCZYDCQZJTTIS-IEBWSBKVSA-N 369.530 4.881 0 40 FJAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 22540314 HEKMFDBIIDJUGU-CYBMUJFWSA-N 372.317 4.958 0 40 FJAB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Br)s2)c1 23163071 RXDSXJVRKWHKJU-XYOKQWHBSA-N 361.264 4.673 0 40 FJAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc(C2CC2)nc2ccccc12 24886848 LNYXTPIYSOIROY-UHFFFAOYSA-N 354.413 4.755 0 40 FJAB O=C(NC[C@H](c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 27742416 NFHNOBOWPGKEFF-RQJZOYDLSA-N 372.578 4.608 0 40 FJAB COc1ccc(Nc2nc3ccccc3nc2NCc2ccccc2)cc1 32647177 RASYBTNAFYIUGJ-UHFFFAOYSA-N 356.429 4.994 0 40 FJAB CSc1nc(C)c(CC(=O)Nc2ccccc2Cc2ccccc2)s1 32902022 PVAQFXMTHQEHPX-UHFFFAOYSA-N 368.527 4.945 0 40 FJAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc2ccccc2o1 32924705 AXXQUWFARKMILF-UHFFFAOYSA-N 362.360 4.689 0 40 FJAB CCCCN(C(=O)/C=C/c1c(C)nn(Cc2ccc(C)cc2)c1C)C1CC1 40070347 JDCFGXRKXJPUDO-BUHFOSPRSA-N 365.521 4.661 0 40 FJAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl 57463296 HGJMMXNGQBDRAV-SGTLLEGYSA-N 363.288 4.664 0 40 FJAB Cc1cc(NC(=O)c2ccc(N(C)C)c(F)c2)ccc1Oc1cccnc1 58417920 PNISYIFPQBVMFM-UHFFFAOYSA-N 365.408 4.640 0 40 FJAB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(F)cc1 82375006 YOQWZIPRIPODBQ-OEAKJJBVSA-N 350.393 4.859 0 40 FJAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cccc(C)n1 97108963 LDYMCTWKSGVIDP-LJQANCHMSA-N 363.505 4.752 0 40 FJAB O=C(O)c1cn(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc12 216952306 MUFACKSZHRCLAU-UHFFFAOYSA-N 355.393 4.812 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(OC)ccc1OC 222908531 CQQLTDWFTQZIAJ-LJQANCHMSA-N 371.477 4.797 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 224191124 YFNMADABBSDMCG-OALUTQOASA-N 365.527 4.937 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 224378062 OPXGOOOACZMYHM-QGZVFWFLSA-N 355.478 4.891 0 40 FJAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl 224973203 XNVLWKVKCAFQNO-UHFFFAOYSA-N 357.881 4.834 0 40 FJAB CCCCn1c(SCC(C)C)nc2c(-c3ccccc3)c[nH]c2c1=O 225548079 BXTIODHJEQORFW-UHFFFAOYSA-N 355.507 4.940 0 40 FJAB Cc1cc(Br)ccc1NC(=S)NCCCc1ccccc1 243172748 JTDCHMCLJHFXIO-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)C(C)(C)C 408626380 GVMPJDWEWKSETB-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB C[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(-c2ccc(F)cc2)cc1 684278446 DHQSAFAJUVJKHR-KSFYIVLOSA-N 370.468 4.500 0 40 FJAB O=C(Cc1coc2c(F)c(F)ccc12)Nc1cc(-c2ccccc2)on1 1160818140 WXJXBUZQXVUXSJ-UHFFFAOYSA-N 354.312 4.547 0 40 FJAB CC(C)SCc1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 1776110994 HHBDRSSZBINPMV-VMPITWQZSA-N 350.900 4.651 0 40 FJAB Clc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1 1888909572 YBLBCUQYHXAHMH-UHFFFAOYSA-N 360.870 4.594 0 40 FJAB Cc1nc2cc(-c3nc4cc(NC(=O)c5cccs5)ccc4[nH]3)ccc2[nH]1 801214 ZJQTTZRQFIZKLN-UHFFFAOYSA-N 373.441 4.728 0 40 FJAB COc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccn1 862274 MSJUFCWDEHGUMD-UHFFFAOYSA-N 364.470 4.659 0 40 FJAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4024431 IOUYXYGRBKBIAU-YAQIKWKKSA-N 361.526 4.855 0 40 FJAB O=c1c2ccccc2nc(/C=C\c2ccccc2Cl)n1-c1cccc(O)c1 4472730 MXOUMKKLMAUUQT-SEYXRHQNSA-N 374.827 4.915 0 40 FJAB CC(=O)c1c(C)nn([C@@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 4937314 BRFKBECYNADGPP-VIFPVBQESA-N 368.264 4.599 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nnc(C4CC4)n3C)c2cc1C(C)C 4946395 JWJPFEBIBUIHJP-UHFFFAOYSA-N 369.490 4.523 0 40 FJAB C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 5090132 ZCEWPHMCPSGHTD-JTQLQIEISA-N 353.647 4.542 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccccc3N3CCCCC3)c(C)c2c1 5199429 MHOSJGXPFJSQBW-UHFFFAOYSA-N 364.445 4.992 0 40 FJAB CCc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 5464273 UQAMGVIJLGTSKM-UHFFFAOYSA-N 364.308 4.883 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1c(F)cccc1Cl 6049366 DJNIMXHFHNULHT-DVOMOZLQSA-N 370.848 4.640 0 40 FJAB Cc1ccc(CSCC(=O)Nc2ccc(Br)cc2)cc1 6338716 RHONFDADGOMHKN-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccc(Cl)cn1 6588263 JUBIGQNLSGNKNE-JTQLQIEISA-N 363.895 4.730 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccsc2)cc1 6679091 VRQFTEPZQBVHHR-GUYCJALGSA-N 369.515 4.714 0 40 FJAB CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1 6787170 YNIGJIKRTOLYHN-UHFFFAOYSA-N 350.896 4.829 0 40 FJAB COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Br 6846946 LPPCMYZCVNZXAB-UHFFFAOYSA-N 356.219 4.863 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1 7040426 QJYLHXPQDHUDNB-UHFFFAOYSA-N 366.244 4.994 0 40 FJAB Cc1csc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1 7196135 CZTLXQFXWANLNP-UHFFFAOYSA-N 356.472 4.975 0 40 FJAB O=C(NCc1ccccc1F)[C@H](Sc1ccccc1)c1ccccc1 7755654 QTHWOXFSOHIDME-HXUWFJFHSA-N 351.446 4.976 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 7929386 PWHRDGMTUJBXRR-HNNXBMFYSA-N 371.864 4.730 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8869556 FSYCFIOGPCDHBK-BESKYLIDSA-N 373.855 4.700 0 40 FJAB Cc1sc2nc(-c3cccnc3)nc(Nc3cccc(CO)c3)c2c1C 9118048 FZGKBFRLSJYETD-UHFFFAOYSA-N 362.458 4.606 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1c(C)cc(C)cc1Cl 9497585 IKCBRZAAAOVXAH-LJQANCHMSA-N 368.864 4.860 0 40 FJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C)c(C)n1C(C)C 10710297 LFROSYKKXSSWAW-UHFFFAOYSA-N 374.535 4.518 0 40 FJAB O=C(O)/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 11945987 YNTGKNZQRBPXLM-SOFGYWHQSA-N 367.626 4.779 0 40 FJAB Cc1cc(C(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)on1 12422296 BTVOPUIUYUYXPG-UHFFFAOYSA-N 363.442 4.748 0 40 FJAB Cc1nc(CSc2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cs1 12779891 LYBXDWNSFBWNOL-OKILXGFUSA-N 360.548 4.862 0 40 FJAB CC(C)n1ncc2cc(NC(=O)CSCc3ccccc3Cl)cnc21 12977571 XSSABZHFNDLKQH-UHFFFAOYSA-N 374.897 4.538 0 40 FJAB C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1cccc(F)c1 12982854 HARGKAARBLJSGQ-GFCCVEGCSA-N 354.347 4.747 0 40 FJAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1c(Cl)cccc1Cl 14240375 SNYJVFBVSUQWLK-SNVBAGLBSA-N 355.290 4.613 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 14397773 KNLLQPTUSOUWPD-UHFFFAOYSA-N 359.469 4.911 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 16363032 XNPZAUAZPJQAOV-UHFFFAOYSA-N 372.424 4.745 0 40 FJAB COc1ccc(OC)c(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)c1 28718962 HZVNRXZRQYNCFL-UHFFFAOYSA-N 372.446 4.598 0 40 FJAB COc1ccc2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 29694826 LBJHGBPVNKYZRG-UHFFFAOYSA-N 374.484 4.647 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2csc(-c3cccs3)n2)cc1F 32745025 LNFGYLIQLYNHJQ-SNVBAGLBSA-N 362.451 4.510 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2c(F)cccc2s1 33137168 MYIOFEDXCVBRDS-UHFFFAOYSA-N 365.389 4.875 0 40 FJAB COc1cc(NC(=O)C2(c3cccs3)CCCC2)c2ncccc2c1 38490489 PACFEVGNEUHVQS-UHFFFAOYSA-N 352.459 4.755 0 40 FJAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 38835749 KBNNEAXJUSVFJU-MRXNPFEDSA-N 369.336 4.608 0 40 FJAB CC1CCC(N(C(=O)c2ccc(NC(=O)c3ccco3)s2)C2CC2)CC1 45415920 ANSMGOUUCYVPIM-UHFFFAOYSA-N 372.490 4.777 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)c2cccs2)c1 57508892 MCSDSTUYZNWAHN-OXJNMPFZSA-N 350.487 4.763 0 40 FJAB O=C(Nc1ccc2ccccc2n1)c1ccc(COc2ccccc2F)o1 58345210 SWLVMUHNISAQCP-UHFFFAOYSA-N 362.360 4.798 0 40 FJAB Cc1cccc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 59294337 ATHWNLFVJRATRI-UHFFFAOYSA-N 362.267 4.862 0 40 FJAB Clc1ccc(CN(Cn2nccc2-c2cccnc2)C2CC2)cc1Cl 60355695 UCGGDKKTUANMIT-UHFFFAOYSA-N 373.287 4.874 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1SCC(O)=Nc2ccsc21 71283450 VLGLUCYFGTUVEF-GOSISDBHSA-N 355.488 4.975 0 40 FJAB CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215554 AFVWEOWOMMLZSH-SFHVURJKSA-N 359.514 4.923 0 40 FJAB Fc1ccc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377427 QXVNFQUSZHBMLL-KRWDZBQOSA-N 369.469 4.543 0 40 FJAB O=C(Nc1sc2ccccc2c1Cl)NC1(CCO)CCCCC1 75106553 GWQMFYYDFZICJJ-UHFFFAOYSA-N 352.887 4.762 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3Cc4ccccc4S3)ccc2o1 84325165 GLDYXKJZVVBRRB-QGZVFWFLSA-N 352.459 4.781 0 40 FJAB O=C(COc1cccc(Oc2cccnc2)c1)Nc1ccccc1Cl 95455644 BPDXIHJIKGRGRU-UHFFFAOYSA-N 354.793 4.545 0 40 FJAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 95944624 RQAJHSOLVPIATO-LLVKDONJSA-N 368.308 4.673 0 40 FJAB c1cncc([C@H]2Oc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN32)c1 96306145 DJHDZTOWUGLSSN-XZOQPEGZSA-N 353.425 4.602 0 40 FJAB Cc1cc(Br)c(NC(=O)[C@H]2CC2(Cl)Cl)cc1Cl 97143495 ZNWYEBCYXLAFBL-ZCFIWIBFSA-N 357.462 4.543 0 40 FJAB O=C(c1nc2ccccc2s1)N1CCS[C@H](c2ccccc2)CC1 211143153 CTAYCYMFVNHGSC-INIZCTEOSA-N 354.500 4.617 0 40 FJAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 214072263 GGUGEBLGOOHUDY-XNTDXEJSSA-N 363.360 4.942 0 40 FJAB CC1CCN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)CC1 224330586 BPQKTFBALMJACA-UHFFFAOYSA-N 370.924 4.544 0 40 FJAB O=C(Cc1cccc(Br)c1)NCc1ccc(Cl)cc1Cl 225612917 VZNCXEVSKVKYSB-UHFFFAOYSA-N 373.077 4.615 0 40 FJAB CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1 257311508 UJUZQOXUERKFEN-MRXSCTINSA-N 370.537 4.528 0 40 FJAB CCOP(=O)(OCC)O[C@H](c1ccc(Br)cc1)C(F)F 306145796 QJJOMBMGFKQAMT-LLVKDONJSA-N 373.130 4.953 0 40 FJAB O=C(Cc1cc2ccccc2nc1O)N1Cc2ccccc2-c2ccccc21 585145900 NGTNDFVMGSCIHJ-UHFFFAOYSA-N 366.420 4.697 0 40 FJAB C[C@@H](O)[C@@](C)(CNCc1cccc(CC2CCC2)c1)Cc1ccccc1 1620927384 YKOJDMDSHDEYPT-NTKDMRAZSA-N 351.534 4.749 0 40 FJAB O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1 626956 JMXXCUVBNNHJQC-UHFFFAOYSA-N 363.844 4.695 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(C)c1C 948619 FKBIQQAGSJZANL-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB CC(C)(C)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2454116 RLBBDQJPOGCLAL-ZXYASIKESA-N 360.501 4.621 0 40 FJAB Cc1cc(OCCCC(=O)NCCc2c[nH]c3ccccc23)ccc1Cl 2620661 CNGOWDHIAPAHER-UHFFFAOYSA-N 370.880 4.648 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 2723663 XJFOBSNCAKTSCL-UHFFFAOYSA-N 357.866 4.565 0 40 FJAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 3295510 FXFDYKCJEUAIKN-CYBMUJFWSA-N 353.805 4.677 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CSc1ncnc2ccccc12 3296727 KGAYAKVMMRWECE-UHFFFAOYSA-N 351.475 4.792 0 40 FJAB O=C(NC1=NCCS1)c1sc2cc(Cl)cc(Cl)c2c1Cl 3315683 YENPLWYCKDTDHC-UHFFFAOYSA-N 365.694 4.694 0 40 FJAB aggregator CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1 3503799 LQEHJRGCQDZHBC-UHFFFAOYSA-N 354.475 4.747 0 40 FJAB Cc1sc(NC(=O)c2ccc3ncsc3c2)nc1-c1ccccc1 4088394 LEAGIBHWDBMUSQ-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 4740088 KVFYXWDMDFOORQ-HSZRJFAPSA-N 368.436 4.922 0 40 FJAB Cc1cc(C)cc(NC(=S)NCCc2c(C)[nH]c3ccc(F)cc23)c1 4904930 UPINZKFEZVWFKW-UHFFFAOYSA-N 355.482 4.761 0 40 FJAB Cc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)c2ccc(F)c(F)c2)c1 5358605 MFXCYIKNWHACER-GFCCVEGCSA-N 373.428 4.526 0 40 FJAB CC(C)Oc1ccc([C@@H](CC(=O)N2CCCC2)c2ccc(F)cc2)cc1 5500061 BLQRKHZZMUSGRD-NRFANRHFSA-N 355.453 4.757 0 40 FJAB Cc1nc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cs1 5883517 DOYAJRLAOPZYCO-UHFFFAOYSA-N 368.487 4.893 0 40 FJAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 7003205 ZDKDKWADGDWSFJ-INIZCTEOSA-N 369.534 4.838 0 40 FJAB COc1cc(C(=O)Nc2ccc(F)cc2C)ccc1OCc1ccccc1 7750705 VXFIPLGGIMWVRS-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB Cc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)o2)cc1C 7773735 RTFGKXLRJWOWNH-UHFFFAOYSA-N 353.403 4.894 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)NCCc3ccc(Cl)cc3)ccc2c1 8078130 PWOCVTAMIAOTGS-HNNXBMFYSA-N 367.876 4.964 0 40 FJAB S=C(NCCc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8442375 IGZMRXVZXFNSCX-UHFFFAOYSA-N 372.497 4.759 0 40 FJAB CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 8654017 PXLXGESRKDRKKP-SJLPKXTDSA-N 361.489 4.911 0 40 FJAB CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 12542514 KELHUHSOZVAWJM-UHFFFAOYSA-N 373.909 4.746 0 40 FJAB C[C@]1(c2ccc3c(c2)OCO3)Nc2ccccc2-c2nc3ccccc3n21 13768239 SLYDLWRZFWJAOQ-QFIPXVFZSA-N 355.397 4.579 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c(O)c1 14684017 JLCKKNSDZCBZLH-UHFFFAOYSA-N 355.397 4.563 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1Cl 16308882 SQRSLDPFTXHZRB-GNISGLHKSA-N 365.864 4.902 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)c(Cl)c1 19198466 ZOPCPBIINGQKKY-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB Cc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19823080 FACGWXSVVJGCIU-UHFFFAOYSA-N 356.513 4.902 0 40 FJAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2cccc3ccccc23)c1 20040036 PQKQUZNMNLQSOS-OAQYLSRUSA-N 363.457 4.712 0 40 FJAB COc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 20453427 IKRFSDIIUWUZBM-INIZCTEOSA-N 369.505 4.811 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23011011 ZHWDVUNMQYHBMB-LFIBNONCSA-N 357.413 4.983 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@@H]2CCCO2)c1 26244623 FRNGMFIKRCQYOK-KRWDZBQOSA-N 366.244 4.804 0 40 FJAB CSc1nnc(-c2ccc(C)cc2)c(OCc2ccc(Cl)cc2)n1 27299988 GGYNAZJSTXXMCQ-UHFFFAOYSA-N 357.866 4.801 0 40 FJAB CN(C[C@H](O)c1ccccc1F)[C@@H](c1ccccc1)c1ccc(F)cc1 28914439 DKCBNRHIQRQBQK-VXKWHMMOSA-N 353.412 4.720 0 40 FJAB Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 31903557 IPZDCEWMZKPBKO-UHFFFAOYSA-N 369.468 4.883 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1nc2ccccc2s1 40020020 VKGPRMPDPARSRE-UHFFFAOYSA-N 350.852 4.613 0 40 FJAB COc1ccc(-c2nn3c(N4C[C@H](C)C[C@@H](C)C4)cc(C)nc3c2C)cc1 40216875 YUSDHRSEXKWHHT-HUUCEWRRSA-N 364.493 4.504 0 40 FJAB Cc1nnc(SCc2c(C(=O)N3CCCCC3)oc3ccccc23)s1 58194270 MPTGZOLSLGZIIK-UHFFFAOYSA-N 373.503 4.511 0 40 FJAB Fc1cc(CNc2ncnc3sccc23)ccc1Oc1cccnc1 58356068 NDXLXKWJTGXNEE-UHFFFAOYSA-N 352.394 4.630 0 40 FJAB Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 72349964 KKEQGYHYBCVIFP-SFHVURJKSA-N 366.896 4.515 0 40 FJAB O=C(Nc1cccs1)N1CCC(COCc2ccc(Cl)cc2)CC1 75156587 GPPHEWAONMSRGE-UHFFFAOYSA-N 364.898 4.862 0 40 FJAB Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165940 OZOFENMPNWJVIX-QZTJIDSGSA-N 367.449 4.676 0 40 FJAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(Cl)s1 90613532 JJMWITTWPVTMCC-AWEZNQCLSA-N 369.920 4.536 0 40 FJAB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c1OC 102732739 QSMJSTIENDIQGP-QGZVFWFLSA-N 368.433 4.850 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1 224736406 JMBOSTGYDXSQGT-FQEVSTJZSA-N 357.881 4.693 0 40 FJAB CC(C)(Cc1ccccc1)NC(=O)c1cc(Br)ccc1Cl 225076940 CLIPQALPEXWTDL-UHFFFAOYSA-N 366.686 4.854 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c(OC)c1 225658751 PZRQHOUDEGAQTF-OAHLLOKOSA-N 372.534 4.747 0 40 FJAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c2cccnc12 225913549 DFTRBPBSZDVUJE-NRFANRHFSA-N 356.466 4.557 0 40 FJAB CC(C)(C)OC(=O)N1CC[C@H]2O[C@](C)(Cc3ccc(F)cc3)CC[C@H]2C1 257295414 QYFCWPFQNQJJAF-CDXJDZJCSA-N 363.473 4.563 0 40 FJAB O=C(O)c1cccc(NCc2cccc(OCc3cccc(F)c3)c2)c1 408604787 FVVDHHKKJWTNTQ-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCC(c2c[nH]c3ccccc23)CC1 581017206 ODTKONOPEHPTOT-HXUWFJFHSA-N 368.864 4.827 0 40 FJAB C[C@H](NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccccc1 682883 KGFBGESYIVHLMU-ROUUACIJSA-N 357.453 4.899 0 40 FJAB Cc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 935551 WEFVSXZQKBWIJX-HNNXBMFYSA-N 355.850 4.784 0 40 FJAB COC(=O)[C@@H]1N=C(c2ccccc2)SC12c1ccccc1-c1ccccc12 1000259 BVUZBZJQZWJWCU-FQEVSTJZSA-N 371.461 4.646 0 40 FJAB CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 1778872 SFEKNBYAHPXZGL-OAHLLOKOSA-N 366.413 4.571 0 40 FJAB biogenic CCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 2081011 DNIBEUPSHOSGGX-QNGOZBTKSA-N 357.409 4.973 0 40 FJAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)CCCC3 2603017 PAYIVMCGBJKPDD-UHFFFAOYSA-N 357.866 4.663 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 5317961 MTYQHLDKZDFKJH-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB O=C(/N=S(/C=C/c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 5442809 BPLZVFOALZAEGM-WUKNDPDISA-N 374.465 4.645 0 40 FJAB CC(=O)Nc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 5560664 QLFQRXZJRKFGFF-NRFANRHFSA-N 354.413 4.634 0 40 FJAB O=C(COc1ccc2ccccc2c1)Oc1ccc(Br)cc1 6153240 XTNGEUNJYNJCEL-UHFFFAOYSA-N 357.203 4.587 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)OCC(=O)c1ccc(F)cc1 6495855 PDBZBKXYTSGXME-UHFFFAOYSA-N 362.400 4.774 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1c(F)cccc1F 6649071 IFVYJDFSPJXIPZ-UHFFFAOYSA-N 370.833 4.959 0 40 FJAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6815155 AEVVHLMFUZQNAD-UHFFFAOYSA-N 360.413 4.534 0 40 FJAB CCN1C2=C(C(=O)CCC2)C(c2ccc(Cl)cc2)C2=C1CCCC2=O 6953037 SMQRIWLNGYZBFR-UHFFFAOYSA-N 355.865 4.773 0 40 FJAB O=C(NC1CCCCC1)c1cn(Cc2ccccc2)nc1-c1cccs1 7916526 VSVJOCJLDXXSDV-UHFFFAOYSA-N 365.502 4.722 0 40 FJAB CCOc1ccccc1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8429267 JRMQSFQSSMYEQB-UHFFFAOYSA-N 367.445 4.698 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1C 8481259 BVIMVDJLCGBVAR-LJQANCHMSA-N 351.490 4.552 0 40 FJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C)c1C 8683911 ZHDCEOMEDYWREW-UHFFFAOYSA-N 367.474 4.770 0 40 FJAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C 9374498 ULZITKUWFGNDNL-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 9935271 QDZWXGLFJOHKOY-HHNLSAEISA-N 355.441 4.987 0 40 FJAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2cnn(C(C)C)c2n1 10808920 MIIJCHNDGMUCKI-UHFFFAOYSA-N 363.248 4.880 0 40 FJAB Cc1ccccc1NC(=O)Cc1csc2nc(-c3cccs3)cn12 12525622 IWAKUTSDPMNITP-UHFFFAOYSA-N 353.472 4.614 0 40 FJAB Cc1cccc(-n2nnnc2Sc2ccnc3cc(Cl)ccc23)c1C 12543635 JIRDGHPVLGRUTO-UHFFFAOYSA-N 367.865 4.632 0 40 FJAB COc1ccc(Oc2cc(NC(=O)C[C@@H]3C=CCC3)ccc2OC)cc1 12674580 FNNXUMFDGHHINS-OAHLLOKOSA-N 353.418 4.791 0 40 FJAB COc1ccc2cc(-c3cc(C(=O)N(C)C)c4ccccc4n3)ccc2c1 12776306 WOKHZVCEABXQGQ-UHFFFAOYSA-N 356.425 4.765 0 40 FJAB CC(C)(C)NC(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1 12852280 IPCWDXYAPIPJHJ-UHFFFAOYSA-N 370.880 4.539 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(F)cc2F)cc1 12896730 RFJKNYQLLHLKIP-HXUWFJFHSA-N 374.431 4.529 0 40 FJAB Cc1nc2ccc(NC(=O)c3cc(C4CC4)nc4onc(C)c34)cc2s1 12926003 KVJXHBKMOGTUDF-UHFFFAOYSA-N 364.430 4.579 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(SC(F)(F)F)cc1 14066211 DFNNQOZHAWICNE-UHFFFAOYSA-N 351.271 4.968 0 40 FJAB Cc1occc1-c1nnc(SCc2ccc(C(F)(F)F)cc2)n1C 14159860 VUOOMYYPJIDYFA-UHFFFAOYSA-N 353.369 4.695 0 40 FJAB Cc1cc(C)nc(Nc2ncc(-c3ccccc3)n2-c2ccc(F)cc2)n1 14608338 AVMISPPVOSLUHH-UHFFFAOYSA-N 359.408 4.829 0 40 FJAB CCOc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OC 15581317 GQNHFEJLAVIQSW-AYJWMTRPSA-N 373.880 4.980 0 40 FJAB C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc2ccccc12 15814820 YNGQESZCQCTTLQ-RNODOKPDSA-N 351.833 4.674 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 16999258 WTLLWDHZLGXIAG-INIZCTEOSA-N 364.445 4.586 0 40 FJAB C[C@@]12C[C@@H](/C(=C(O)\C=C\c3ccc(Cl)cc3)C(=O)N1)c1ccccc1O2 20151811 ZDNYWYOLIRZXDA-YXKSIZICSA-N 367.832 4.578 0 40 FJAB COc1ccc(-n2ccnc2SCC(=O)c2ccc(Cl)cc2)cc1 23138796 RWHNWSXSKRSXTJ-UHFFFAOYSA-N 358.850 4.509 0 40 FJAB O=C(OCc1cc(-c2cccs2)on1)c1csc(-c2ccsc2)n1 25189028 ZEHZDMVHDRETJN-UHFFFAOYSA-N 374.468 4.945 0 40 FJAB O=C(Nc1ccc(Br)c2cccnc12)[C@@H]1C[C@@H]1c1ccccc1 27930455 RHLHUZHAGZEMBR-HUUCEWRRSA-N 367.246 4.740 0 40 FJAB CCn1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cn1 28579153 OSRGGZBXSQIGQE-UHFFFAOYSA-N 355.250 4.552 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1c[nH]c2ccccc2c1=O 31544764 RRXPBWFMNBXXNZ-UHFFFAOYSA-N 356.381 4.573 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 31852037 DPRDOEXKGRSRSH-GOSISDBHSA-N 353.531 4.957 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N[C@@H](c3cccs3)C(C)C)cs2)o1 32816356 XZAJSTLKCAWQST-QGZVFWFLSA-N 360.504 4.829 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1CC=CCC1 32900330 XXHCBFNQYHWLFW-PKOBYXMFSA-N 362.473 4.815 0 40 FJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(C(F)(F)F)cc1 33023425 SSLAIJYSEUCZNS-UHFFFAOYSA-N 368.443 4.624 0 40 FJAB Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1cccs1 35312165 DGJAJRLOHWVEBG-UHFFFAOYSA-N 364.879 4.851 0 40 FJAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)C1 36351186 IMYHTICGAHSCKP-ROOHIHILSA-N 360.885 4.848 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 37124299 HOXJJVPNTGWBTC-LLVKDONJSA-N 374.453 4.523 0 40 FJAB CCCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38858880 JMQRGRWARODCCG-HNNXBMFYSA-N 357.325 4.512 0 40 FJAB Cc1ccccc1-c1nnc(SCc2nccn2Cc2ccccc2)o1 40067272 FEEHJNMUCHVUAF-UHFFFAOYSA-N 362.458 4.582 0 40 FJAB COc1ccc([C@@H](C)NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1F 45103407 CDHJEMYPBYQHIH-BEFAXECRSA-N 371.456 4.617 0 40 FJAB CSc1nccn1-c1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 48261350 UTDJXGTYSFPSBR-QGZVFWFLSA-N 369.515 4.633 0 40 FJAB COc1c(Br)cc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1C 57339383 OSHFMCWAVUNCII-GFCCVEGCSA-N 368.315 4.770 0 40 FJAB CCOc1ccc(CN2CC[C@H](c3c[nH]c4ccc(OC)cc34)C2)cc1 57745001 OPZCOVFIQXABAJ-KRWDZBQOSA-N 350.462 4.565 0 40 FJAB CCOC(=O)[C@H](C)Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695586 GKENSXABRQIBOY-JTQLQIEISA-N 373.758 4.751 0 40 FJAB O[C@H]1C2C[C@H]3C[C@H](C2)CC1(CCC(O)(c1ccccc1)c1ccccc1)C3 104038798 VRDCOVZTKCMJMY-MEKGVMDNSA-N 362.513 4.890 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(C(=O)c2ccco2)s1 211081865 BIZDSBOZYAOVNE-JXMROGBWSA-N 371.845 4.555 0 40 FJAB CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219650480 MANAUYPGMZGKDH-KRWDZBQOSA-N 371.502 4.839 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)cc1 222819593 DUGDJFROXQGXBB-IIBYNOLFSA-N 367.489 4.609 0 40 FJAB C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 223008977 QDHBMNAQFQFAPR-AWEZNQCLSA-N 372.306 4.748 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=S)Nc2ccc(Cl)cc2)c1 225463344 NZVSGUCEPIERNZ-UHFFFAOYSA-N 355.246 4.589 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)c(C)c1 225709947 RWDRDXJQLMJCLL-QGZVFWFLSA-N 358.507 4.758 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)cc1C 225714224 HREWXMHFWMQQNL-KRWDZBQOSA-N 358.507 4.758 0 40 FJAB CCCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCCC)c(C)c1 225897931 UAJWTJNEJCJYNQ-HXUWFJFHSA-N 350.503 4.883 0 40 FJAB CC(=O)N[C@@H]1C[C@H](c2ccccc2Oc2ccccc2)O[C@@H]2CCC[C@@H]12 257237516 HGVUOFCAGPWUMA-RJJVWVDVSA-N 351.446 4.614 0 40 FJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCCc1ccccc1 409107768 UKSWYQZCLMEKHX-UHFFFAOYSA-N 351.519 4.860 0 40 FJAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCCc1ccccc1 409131266 NZAHCIONDFKXQR-SFQUDFHCSA-N 373.861 4.715 0 40 FJAB Cc1ncccc1CNC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 529084288 YSWPZKPKCOPOET-UHFFFAOYSA-N 351.372 4.552 0 40 FJAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1 575610114 KEWSGIGLPXGOHZ-SFTDATJTSA-N 365.498 4.759 0 40 FJAB O=C(c1ccc(Cn2cccc2)cc1)N1CC[C@H]1c1ccc(Cl)cc1 1326196847 GQMDBYMUMLWUOG-FQEVSTJZSA-N 350.849 4.777 0 40 FJAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc2ccccc12 1628320906 TUCLXZBJQOHYQU-CQSZACIVSA-N 359.404 4.860 0 40 FJAB COc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1 682984 RCZJIVVLDQIBBJ-UHFFFAOYSA-N 357.203 4.830 0 40 FJAB COc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 784675 LNPBCWUWXNDIOY-UHFFFAOYSA-N 358.488 4.600 0 40 FJAB COC(=O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3 1855606 YUPXUMMFBQPHHU-UHFFFAOYSA-N 374.524 4.945 0 40 FJAB CCOc1ccc2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2c1 2060612 GRJPLXAADPNDBQ-UHFFFAOYSA-N 362.834 4.660 0 40 FJAB O=C(COc1ccccc1Cl)Nc1nc(-c2cccs2)cs1 3349994 IAIWTKHQTLQQMR-UHFFFAOYSA-N 350.852 4.543 0 40 FJAB aggregator COc1cc(OC)c(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 3422942 YSIPPQBDBBRGHU-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB COc1cccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c1 4306641 PRZZOLPQGVUNOS-FQEVSTJZSA-N 360.413 4.588 0 40 FJAB O=C(O)[C@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 4678962 BDFHBICZVAVNCD-JOCHJYFZSA-N 357.453 4.528 0 40 FJAB CCc1ccc(CNc2ncc(-c3ccc(F)cc3)n2CCOC)cc1 4679281 GBJBSOWDUCHUIZ-UHFFFAOYSA-N 353.441 4.510 0 40 FJAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 4682382 NXBXFTATGVEPOO-UHFFFAOYSA-N 354.862 4.928 0 40 FJAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 5033124 VYFFVRGQVMKSLS-UHFFFAOYSA-N 369.804 4.967 0 40 FJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cccc(Cl)c3)cc21 5136364 FNDSFPWVSUGVGS-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB CCOc1ccccc1OCCCC(=O)Nc1ccc2nc(C)sc2c1 6216152 AXMIZLOGAKIWCK-UHFFFAOYSA-N 370.474 4.801 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1 6252026 PKAJYXXVESWWOW-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 6938366 BQKRUWOENWZETG-QGZVFWFLSA-N 352.478 4.818 0 40 FJAB CCOc1ccc2nc(NC(=O)c3cnc(Cl)c(Cl)c3)sc2c1 6945993 BATNZONGGZQSRW-UHFFFAOYSA-N 368.245 4.649 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2Cl)c2ccccc2n1 7224795 NAJMMEMOKIKLCU-LLVKDONJSA-N 357.866 4.711 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2Cl)c1 7748494 BTELUXDTBDYTDS-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB COc1cccc(CCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1OC 7990712 XFERJGUANIPYQT-INIZCTEOSA-N 363.457 4.667 0 40 FJAB c1coc(-c2cc(CSc3nnc(NC4CCCCC4)s3)no2)c1 8749678 GTRYJOOPYCCMPV-UHFFFAOYSA-N 362.480 4.823 0 40 FJAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccco4)nnc3s2)cc1 9054048 QUQDYVHHLIUZDL-ZDUSSCGKSA-N 352.463 4.796 0 40 FJAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)sc2cccc(F)c12 9217462 GZEJITDTCFMBIS-HNNXBMFYSA-N 372.465 4.509 0 40 FJAB CCc1cc(Br)c2oc(-c3ccc(NC(C)=O)cc3)nc2c1 10119743 NALGTBFWBKYAPY-UHFFFAOYSA-N 359.223 4.778 0 40 FJAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(F)c(F)c3)cs2)c(C)c1 12878478 SJVRPRGJAVVOGM-UHFFFAOYSA-N 358.413 4.886 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3ccccc3)n2)cc1 12929437 SPDZKIUYVYMTPG-IBGZPJMESA-N 364.470 4.796 0 40 FJAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12 12974608 ICLFHQSQDKYKHQ-QMMMGPOBSA-N 368.289 4.741 0 40 FJAB CSCC[C@H](NC(=O)C[C@H](C)c1ccccc1)c1nc2ccccc2[nH]1 13162940 XXJHIFSSYDKBBC-KXBFYZLASA-N 367.518 4.667 0 40 FJAB COc1ccc2cc(/C=C(\Cl)c3nc4ccccc4c(=O)[nH]3)ccc2c1 14015944 MNCFSTFZHNLPTM-WQRHYEAKSA-N 362.816 4.822 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc3ccccc3c2)cc1 15542324 ZXMQAACPGKXWIF-QFIPXVFZSA-N 361.441 4.591 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(OCC)c3ncccc23)cc1 15840772 XSNKTPWKEGKELF-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 16679469 IYHAOTBTZDRWHD-IYBDPMFKSA-N 367.555 4.574 0 40 FJAB Cc1ccc(-c2nc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cs2)cc1 19676533 KEOVSDCJEPJXQL-UHFFFAOYSA-N 366.530 4.746 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1 21600209 JMYIRHVLLVPBRN-CQSZACIVSA-N 371.893 4.704 0 40 FJAB COc1ccc(NC(=O)c2cccnc2Sc2cc(C)ccc2C)cn1 22504973 ZIHAYPUPCCLYEZ-UHFFFAOYSA-N 365.458 4.506 0 40 FJAB O=C(Nc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1)C1CC1 24776682 UNHMQAKCYFDRSO-UHFFFAOYSA-N 369.774 4.714 0 40 FJAB Cc1ccc(O)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 31818698 KULIZZVPKMVJKP-UHFFFAOYSA-N 355.397 4.563 0 40 FJAB CCOC(=O)c1nn(-c2ccccc2C)c2c1CC/C2=C\c1ccccc1 33624528 MEHPLNMVFSGXBO-OBGWFSINSA-N 358.441 4.844 0 40 FJAB Cc1nc2c(-c3ccccc3)nc(SCc3cccnc3)nc2s1 35682696 DHTDIUVZRFQMPD-UHFFFAOYSA-N 350.472 4.749 0 40 FJAB Cc1cc2oc(=O)cc(C)c2c2occ(-c3ccc4c(c3)OCCCO4)c12 36369804 FNBIKIGWPQRCHF-UHFFFAOYSA-N 362.381 4.984 0 40 FJAB biogenic Cc1ccc(F)c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 36611700 TYBACFVXHQCUAB-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB COc1ccc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1OC 40286804 DMESQCSLILJAMK-AWEZNQCLSA-N 366.442 4.951 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1cccc(C)c1 44883351 NYKZJNSVKWULRF-NRFANRHFSA-N 371.546 4.819 0 40 FJAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 44947234 JHSNAGMUXQURGQ-OVCLIPMQSA-N 362.473 4.763 0 40 FJAB CCCOCc1ccccc1CNC(=O)c1c(C)oc2ccc(OC)cc12 48300878 JPZMGRMZLCTDLX-UHFFFAOYSA-N 367.445 4.606 0 40 FJAB CCOc1ccc(Cl)c(C(=O)N(c2ccc(OC)cc2)[C@H](C)C2CC2)n1 60306566 QYJUBSHUUYRQAY-CYBMUJFWSA-N 374.868 4.588 0 40 FJAB CN(Cc1ccccc1F)C(=O)c1cc(-c2ccco2)nc2ccccc12 68976658 KVLXYKPXEYJOQV-UHFFFAOYSA-N 360.388 4.906 0 40 FJAB Fc1cccc(-c2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)c1 70040174 CBWRWMDYINHYCC-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB OC1=Nc2ccsc2[C@@H](c2cc(Cl)cc3c2OCOC3)SC1 71283583 FKHUSSJLZNGWQU-CQSZACIVSA-N 353.852 4.692 0 40 FJAB CCc1ncc(CN2CCC[C@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 72350243 BTVVVSKNMTUODX-NRFANRHFSA-N 372.516 4.789 0 40 FJAB COc1cc(F)c(NCc2ccccc2OCc2ccccn2)cc1F 95450115 UQZQXDDXJLIYMR-UHFFFAOYSA-N 356.372 4.560 0 40 FJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Oc3ccccc3)cc1)OC2=O 100260874 PZMYQJPTKLOLNI-FGZHOGPDSA-N 365.429 4.539 0 40 FJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1C[C@H]2C=C[C@H]1C2 102784087 TXDDEGRXUPBJIP-KAMVUQFESA-N 355.481 4.612 0 40 FJAB O=C(NCC1(c2ccsc2)CCCC1)c1ccccc1Br 217482616 SFOLAIKUKCUUBB-UHFFFAOYSA-N 364.308 4.752 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccccc2)s1 222796788 NWHHXWZWPSIIFL-MRXNPFEDSA-N 367.474 4.618 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227911 ZLVLXDAAPPDQMA-VBKZILBWSA-N 357.881 4.864 0 40 FJAB CCc1ccc(CC)c(CNC(=O)c2ccc(N3CCCCC3)cc2)c1 223324125 XAFGUYWQIPNHIS-UHFFFAOYSA-N 350.506 4.732 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)Cc1ccccc1 223552223 SDGKRIVDVQDJCZ-KRWDZBQOSA-N 353.506 4.889 0 40 FJAB CCOCc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OCC 224701583 FXZNKZOCVVUSFM-AWEZNQCLSA-N 361.869 4.766 0 40 FJAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927372 LHLDXSNFIPTBOW-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc21 225131033 YXBOKCYLKOAXOG-BJMVGYQFSA-N 372.877 4.949 0 40 FJAB Fc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225302588 WWXWDWSCAQALFK-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225377569 APKNLNGGWQEUEE-CQSZACIVSA-N 366.288 4.818 0 40 FJAB CCN(c1ccccc1)c1c(Br)cc(N)cc1Br 226317025 KHJBXBYKLLEVTH-UHFFFAOYSA-N 370.088 4.952 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)O)[C@@]4(C)CC[C@H]32)C1 253499534 WVHKCBDRQIXZLC-YUINZIOUSA-N 360.494 4.582 0 40 FJAB O=C(CSc1ccc(F)cc1)NCCc1ccc(-c2ccoc2)s1 390832406 ZHLCAYYAVNGOEE-UHFFFAOYSA-N 361.463 4.598 0 40 FJAB CC(=O)c1c(C)oc2c(C)c(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 585152432 DENJXJFFSNQMMZ-UHFFFAOYSA-N 371.458 4.670 0 40 FJAB Cc1cccc(S(=O)(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)c1 1561355609 UGFCLWBMHDDRMP-LBPRGKRZSA-N 370.301 4.610 0 40 FJAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615126833 NLSSPSPUZANQLJ-NQIIRXRSSA-N 368.496 4.714 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccc(F)c2)CN1c1cccc(F)c1 1615160323 ZCXLMNUAKWYDOM-QFIPXVFZSA-N 370.443 4.629 0 40 FJAB O=C(c1ccccc1Br)N1CCC(Cc2ccccc2)CC1 592802 IIJMHLAYNAIDIS-UHFFFAOYSA-N 358.279 4.544 0 40 FJAB O=C(Nc1ccccc1)O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2 1395978 PKJFIIDWAYSGIP-STIKNRRDSA-N 352.409 4.510 0 40 FJAB O=C(NCc1cccc(OC(F)(F)F)c1)C1(c2ccccc2)CCCC1 2512653 DIUVXPIFUDMHQP-UHFFFAOYSA-N 363.379 4.713 0 40 FJAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 2618872 TWOJHETXVLNLJP-NSHDSACASA-N 359.838 4.509 0 40 FJAB Brc1ccc(/C=C/c2cc[n+](Cc3ccccc3)cc2)cc1 2771201 YBSBRTBEDGFWLK-VOTSOKGWSA-N 351.267 4.955 0 40 FJAB CCOc1ccccc1NC(=O)[C@H](NCC1CCCCC1)c1ccccc1 3371961 GHTQTHBTHYZPKR-JOCHJYFZSA-N 366.505 4.935 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H](NCC1CCCCC1)c1ccccc1 3371962 GHTQTHBTHYZPKR-QFIPXVFZSA-N 366.505 4.935 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 3439184 FYUVWEUCWIDAKM-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB CN(C)C[C@H]1CCCC[C@@H]1[C@]1(O)c2ccccc2CSc2ccccc21 4128334 DYOKEZUEHYQWMK-FHJLPGHOSA-N 367.558 4.896 0 40 FJAB Brc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 4271865 ZOWIQOLDFLWGPS-UHFFFAOYSA-N 358.264 4.593 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)N1CCCC1 4673434 RKHIVZHOQCRVEA-DEOSSOPVSA-N 370.496 4.729 0 40 FJAB COc1ccccc1C1=NN(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C1 4995371 NCNWIZGBCHJQIR-GOSISDBHSA-N 361.401 4.671 0 40 FJAB COc1ccc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc2c1 5393945 JZVVWIFLZJOTBW-UHFFFAOYSA-N 350.399 4.669 0 40 FJAB CC(C)n1cnnc1SCc1csc(-c2ccc(Cl)cc2)n1 5417351 UHOLEHYGMGSTMX-UHFFFAOYSA-N 350.900 4.928 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 5481156 QXKRUGDXPWHXHL-WBIUVFFSSA-N 374.521 4.813 0 40 FJAB biogenic O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccnc1 5756657 KXMWVOPLJAKNHS-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB O=C(CCc1ccccc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 6885112 HKYFNNHTTUFEJO-UHFFFAOYSA-N 356.421 4.617 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)cc1C 7914187 YRCTZHGMMAZCNJ-UHFFFAOYSA-N 360.251 4.668 0 40 FJAB C[C@@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccc(Br)cc1 8724594 SGPSTHJSSRPWHU-ZDUSSCGKSA-N 372.266 4.692 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Oc3ccccc3)ccc1O2 9135344 QTNIUDCXARKCID-UHFFFAOYSA-N 374.396 4.988 0 40 FJAB Cc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)c3ccco3)nc12 10254331 JFVNUFMIXCPIRN-UHFFFAOYSA-N 363.442 4.748 0 40 FJAB O=C(CNc1ccc(Cl)cc1F)N[C@@H](c1ccccc1)c1cccs1 11159824 WOGRPVZKEHPESA-IBGZPJMESA-N 374.868 4.858 0 40 FJAB Cc1cc(C)nc(Oc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)n1 12090505 GDCXUBCRCWVSFT-UHFFFAOYSA-N 373.334 4.555 0 40 FJAB CCCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)sc1C 12550179 HDBUQPKNYPBEGQ-UHFFFAOYSA-N 356.535 4.588 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc12 12758942 AXKZCKAWEGGPAK-HOTGVXAUSA-N 359.539 4.715 0 40 FJAB Cc1ccc2nc(-c3ccc(CNC(=O)/C=C/c4ccco4)cc3)oc2c1 16348579 YIANINGKBMWUSN-PKNBQFBNSA-N 358.397 4.726 0 40 FJAB O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCCCCC1 20108117 DNAFQUGCUAGVHA-UHFFFAOYSA-N 355.503 4.874 0 40 FJAB O=C(Nc1ccc(F)cc1Br)c1cccc(C(F)(F)F)c1 20430148 ALTLTRAYHSENHT-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c1C 20485797 SDTJXKSOCKPKOG-IBGZPJMESA-N 369.461 4.585 0 40 FJAB COc1ccc(-n2nc(Nc3ccccc3F)c3c2C[C@@H](C)CC3=O)cc1 20796879 XZZGRRMLMPSNAM-CYBMUJFWSA-N 365.408 4.529 0 40 FJAB Oc1nc(SCc2ccccc2F)nc2c(-c3ccccc3)c[nH]c12 21883821 RGPQNLYCTQYKJV-UHFFFAOYSA-N 351.406 4.762 0 40 FJAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccccc2F)s1 23053509 YVXSARVHOFFPAE-RAXLEYEMSA-N 359.813 4.666 0 40 FJAB CSc1ccc(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 24072836 OVAGOJSXIRJKJO-UHFFFAOYSA-N 361.576 4.727 0 40 FJAB CCc1c(C(=O)Nc2cccc(C(C)=O)c2)cnn1-c1cccc(Cl)c1 24541371 FVEHEQKDHTUTCK-UHFFFAOYSA-N 367.836 4.543 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccc(Br)cc1 32753934 JLPVHUWIUUYVSD-CYBMUJFWSA-N 372.262 4.957 0 40 FJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 33537479 MOTOGHNEPCFZTK-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CC(C)c1ccc(/C=C/c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1 40388471 VMGVDRWGHMQVKF-DHZHZOJOSA-N 374.488 4.602 0 40 FJAB Cc1ccccc1-c1noc(CSCc2nc3ccccc3nc2C)n1 43629643 UAOGQJJOXFIDRR-UHFFFAOYSA-N 362.458 4.730 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2cccs2)c1 57508890 MCSDSTUYZNWAHN-OXQOHEQNSA-N 350.487 4.763 0 40 FJAB O=C(CCn1ccc2ccc(Cl)cc21)NCCc1c[nH]c2ccccc12 62001479 FHBSDWZIPJTNNM-UHFFFAOYSA-N 365.864 4.525 0 40 FJAB biogenic COc1ccc2oc(/C=C/C(=O)Nc3ccc(Br)cc3)cc2c1 67339541 BNROVHZJMUQRNJ-VQHVLOKHSA-N 372.218 4.856 0 40 FJAB CCN(Cc1cccc(F)c1)C(=O)Nc1c(C)nn(-c2ccccc2)c1C 69348674 JPHCBHXYMLUJDT-UHFFFAOYSA-N 366.440 4.682 0 40 FJAB Nc1nc(-c2cccc(Br)c2)cc(-c2ccccc2Cl)n1 71977840 LBEBNIOIBXDDRR-UHFFFAOYSA-N 360.642 4.809 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](Cc2ccccc2)SC1 80329860 CXOBLDXWOTVGAS-OAHLLOKOSA-N 357.479 4.713 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)c2c1CCCC2 96184272 XQOAIIDJRBOCPF-UHFFFAOYSA-N 351.837 4.657 0 40 FJAB CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 100753370 GLTAMRONJSYAQQ-YLGOIMDESA-N 362.256 4.641 0 40 FJAB CC(C)C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 216336175 QGKGLQINUOGBIO-GOSISDBHSA-N 351.899 4.547 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@H]3C)c(C)cc2N)c1 216867246 RWKJDVZFFSAVQX-CALCHBBNSA-N 351.494 4.905 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225342105 BLHTZVINGNSOIS-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB CCCN1C(=O)/C(=C\c2ccc(OCC)cc2OCC)c2ccccc21 409109481 FVQUULLMGCUVJG-RGEXLXHISA-N 351.446 4.781 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccc(C)cc3Br)cc2c1 409184453 LHNUFIOOCVCKOH-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB COc1ccc([C@H](NCc2nnc(C)s2)c2ccccc2Cl)c(C)c1 539095248 UEUQKUMDCCVEPG-IBGZPJMESA-N 373.909 4.696 0 40 FJAB Cc1ccc(Oc2c(F)cccc2OC[C@@H](N)Cc2ccccc2)cc1 643550391 ZDYXILPFZZVXRD-SFHVURJKSA-N 351.421 4.875 0 40 FJAB Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1nocc1C 1583273685 VFEQWQKHTAFZAZ-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@](O)(c2ccc(F)cc2)C1 1616691724 QRXVMMUPDDXBRU-KZULUSFZSA-N 354.252 4.787 0 40 FJAB O=C(O[C@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1)c1ccccc1 712537 MLIXBYKGYZTPME-FCHUYYIVSA-N 372.420 4.757 0 40 FJAB Cc1nc(SCC(=O)c2ccccc2F)c2c3c(sc2n1)CCCC3 715252 OMBSGCNOLPHQFM-UHFFFAOYSA-N 372.490 4.993 0 40 FJAB C[C@H]1CN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C[C@H](C)O1 2407428 AKXANHXHAUVJHK-GJZGRUSLSA-N 359.429 4.657 0 40 FJAB O=C(Oc1ccccc1-c1ccccc1)c1cncc(Br)c1 3287127 SIRGMQKIJDOJDE-UHFFFAOYSA-N 354.203 4.730 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 4176311 WTHPISGYFCFPJB-UHFFFAOYSA-N 367.455 4.681 0 40 FJAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5373980 AYKLXFSYKRWGIS-UHFFFAOYSA-N 356.491 4.716 0 40 FJAB Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)o3)cn2c1 5903808 LQVGZRPGDQLQLT-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB O=C(NCc1cccs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 7990318 SPMPSARWTJRHGO-UHFFFAOYSA-N 351.349 4.957 0 40 FJAB COc1ccc(-c2cc3ncnc(N(C)Cc4ccco4)c3s2)cc1 9335976 WDFJPQKFTUTFIP-UHFFFAOYSA-N 351.431 4.596 0 40 FJAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 10276687 SBSFFDKMZWGKMN-AWEZNQCLSA-N 365.926 4.818 0 40 FJAB CC(=O)N1c2ccc(NC(=O)c3oc4c(C)cccc4c3C)cc2C[C@@H]1C 12204567 AMQZZJGTOLZKHN-ZDUSSCGKSA-N 362.429 4.599 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(C)cc2)c1 13673739 FXRCNXCEEAUTGV-UHFFFAOYSA-N 357.475 4.601 0 40 FJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709000 VDVIDKLGQMXKFR-QGZVFWFLSA-N 365.498 4.824 0 40 FJAB CCc1ccc(-c2noc(CN3CCC[C@H]3c3ccc(OC)cc3)n2)cc1 15300668 CTCKJWMJXGRJIJ-FQEVSTJZSA-N 363.461 4.645 0 40 FJAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17075450 OBWXFODKMAXEFK-FTUNRGFVSA-N 367.470 4.523 0 40 FJAB O=C(Nc1ccc(F)cc1F)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 18046386 JFPHNTGGZJNCGH-HLASGMPESA-N 370.237 4.637 0 40 FJAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 18891706 ITMOKNGJIVOOSC-XOBRGWDASA-N 373.880 4.728 0 40 FJAB O=c1[nH]c2cc3c(cc2c(-c2ccccc2)c1-c1ccccc1)OCCO3 19957208 STLFZVHLWOKMPW-UHFFFAOYSA-N 355.393 4.633 0 40 FJAB COc1ccc(-n2ncc3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20633063 CFYDURGNNBDTOS-GOSISDBHSA-N 360.457 4.917 0 40 FJAB CC(=O)N[C@H](CC(=O)Nc1ccccc1-c1cccs1)c1cccs1 21493684 BWMNYESWTMVSFS-MRXNPFEDSA-N 370.499 4.683 0 40 FJAB CN(Cc1nc(O)c2oc3ccccc3c2n1)[C@@H]1CCCc2ccccc21 23701944 GFEGGFNSLXEIBM-QGZVFWFLSA-N 359.429 4.591 0 40 FJAB CC(C)[C@H](NCC(=O)N[C@H](C)c1cc2ccccc2o1)c1cccs1 29203215 IBDLUBVPACLUBG-VLIAUNLRSA-N 356.491 4.658 0 40 FJAB Cn1ccnc1[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 30643617 ARWIKBUPISJSMJ-OAQYLSRUSA-N 361.420 4.698 0 40 FJAB CC(C)c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)cc1 35504140 YAAJTRWCUPYWTO-UHFFFAOYSA-N 374.400 4.646 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 44947108 CQTKNUHUTJBHPU-RXVVDRJESA-N 369.505 4.983 0 40 FJAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC2(C)C)cc1 45932712 VNFUPDQETQFZQN-UHFFFAOYSA-N 356.878 4.657 0 40 FJAB C[C@@H]1CCCCN1CCCCNC(=O)c1cc(F)c(Cl)cc1Cl 46989498 HBMMXPJWATVBDM-GFCCVEGCSA-N 361.288 4.517 0 40 FJAB O=C(c1cnccn1)N(Cc1ccc(Cl)cc1)c1ccccc1Cl 55963190 GYPFISDNSPAIHO-UHFFFAOYSA-N 358.228 4.630 0 40 FJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72353829 IALUOARNLGRALJ-IBGZPJMESA-N 370.924 4.996 0 40 FJAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)cc12 84067864 CNJWHQMMGYRDMW-IBGZPJMESA-N 362.477 4.541 0 40 FJAB Cc1csc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)n1 95476929 XHEIANXHFDGIOJ-OAHLLOKOSA-N 359.882 4.719 0 40 FJAB COc1ccc2ncc(C(=O)O)c(Nc3cccc(C(F)(F)F)c3)c2c1 95618444 YYYMFQLUYFCUHH-UHFFFAOYSA-N 362.307 4.704 0 40 FJAB Cc1cc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)ccn1 97164756 CPBKGRGYCVYBKH-JOCHJYFZSA-N 357.457 4.764 0 40 FJAB Cc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 218978069 LVLHLYVWNBWIRF-UHFFFAOYSA-N 359.469 4.937 0 40 FJAB C[Si](C)(C)c1c(F)ccc2c(Br)cc(C(F)(F)F)nc12 219792238 JSXJTXYTMUJRJH-UHFFFAOYSA-N 366.228 4.700 0 40 FJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222913894 MIKSVFIWHVRSOA-UXHICEINSA-N 368.550 4.627 0 40 FJAB O=C(OCc1ccc(Cl)cc1Cl)c1snnc1-c1cccs1 223847673 LYHXGXJGYOZJRN-UHFFFAOYSA-N 371.270 4.930 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(C)cc1 224119099 LYGOADQAAVMZQY-UHFFFAOYSA-N 353.462 4.645 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccccc1Cl 225034909 WLYFBOKLJFWNTI-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB CCc1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)cc1 225212486 ZRAWRGOKNAFNHV-UHFFFAOYSA-N 352.659 4.846 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225707488 MSWVKXRDPWXNFX-INIZCTEOSA-N 370.518 4.836 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1C 225825836 JLDKJLAORUMYDA-UHFFFAOYSA-N 350.231 4.776 0 40 FJAB Cc1cc(N)ccc1NC(=O)c1cccc2c(Br)cccc12 227144801 WBGBVKQPJDCCFX-UHFFFAOYSA-N 355.235 4.745 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccccc2)c1 408696059 VQLYPOIGAWOMPF-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 408813464 QVYGAXYDXMTMJM-KPKJPENVSA-N 354.214 4.920 0 40 FJAB CC(C)CN1C(=O)/C(=C\c2cccc(Br)c2)c2ccccc21 409112384 GDMWMDUBQRSRKA-BOPFTXTBSA-N 356.263 4.992 0 40 FJAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105904 XVHWQCDTYJMOHX-INIZCTEOSA-N 367.464 4.934 0 40 FJAB CCCc1sc(C(=O)Nc2cc(C(C)C)on2)cc1Br 1135365045 VUNRZZWTOPVUMF-UHFFFAOYSA-N 357.273 4.827 0 40 FJAB Nc1c(-c2nc(-c3ccc4ccccc4c3)cs2)nnn1-c1ccccc1 1775971507 QZPFKZRIRFAZQF-UHFFFAOYSA-N 369.453 4.793 0 40 FJAB COc1ccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)cc1 876113 HMJMDJHSDLCZIL-UHFFFAOYSA-N 362.838 4.603 0 40 FJAB CC(C)c1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12 889959 XIXICLMFQXDNBM-SFHVURJKSA-N 360.457 4.753 0 40 FJAB CCn1c(COc2ccccc2C)nnc1SCCc1ccccc1 915986 MVEHAWSOEHCQDI-UHFFFAOYSA-N 353.491 4.520 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccco1 1390511 LKKTWHONSWUPBU-UHFFFAOYSA-N 366.364 4.660 0 40 FJAB CCc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 1934141 XGZCLECUCCZYRB-UHFFFAOYSA-N 373.452 4.563 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccco1 3517686 YYHFVBUDOWLSJQ-UHFFFAOYSA-N 372.783 4.885 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1 4072315 TURAOCVMCNHEGD-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)CC(C)C)cc1 4815055 OZBTWSPMJCCPTK-RTWAWAEBSA-N 374.488 4.700 0 40 FJAB Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccccc32)cc1 4937024 BDMHKCWGVLBCMX-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB Clc1cnc2[nH]c(SCc3cccc(Br)c3)nc2c1 5248919 QKFPJUBYYHODMT-UHFFFAOYSA-N 354.660 4.666 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1C 5598814 LGHLOFJBLUOQEF-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3Cl)n2)c1 5632148 MVBVDUWNQHZSCN-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB CC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)c3ccccc3O)cc12 5938741 KNXIPIJFNVILCF-UHFFFAOYSA-N 371.440 4.655 0 40 FJAB O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 6888617 NNNHMJYOXXFSHO-UHFFFAOYSA-N 364.804 4.923 0 40 FJAB Clc1ccc(-c2noc(CSc3ccc4c(c3)OCCCO4)n2)cc1 7470829 DCZMAYRBUDJAHN-UHFFFAOYSA-N 374.849 4.844 0 40 FJAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 7593506 JUBBTXULKUTMOV-UHFFFAOYSA-N 355.463 4.965 0 40 FJAB Cc1cccc(NC(=O)Cc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 7845678 HKWWDJHBZLXBAS-UHFFFAOYSA-N 374.412 4.901 0 40 FJAB CSc1ccc(COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 7982803 HKDBWIFYYZBFJG-UHFFFAOYSA-N 358.459 4.514 0 40 FJAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)NC1CCCCC1 8274397 OQOINRHDVVVMAA-UHFFFAOYSA-N 360.889 4.656 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccccc2SCc2cc(C)on2)c1 9049597 BOSOQEYYBMIOOU-UHFFFAOYSA-N 366.442 4.730 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1Cl 9980125 KEDMDPXFWHNSGH-PHESOWMLSA-N 358.825 4.667 0 40 FJAB Cc1ccc(SCc2ccc(C(=O)NCCCN3CCCC3)cc2)cc1 10450029 KEPYPGNUNVSTDZ-UHFFFAOYSA-N 368.546 4.503 0 40 FJAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1 10958264 BKANGINFJXOILQ-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 12562332 OFPHGDUWGMHUNW-CYBMUJFWSA-N 367.474 4.566 0 40 FJAB COc1ccc2c(Cl)c(C(=O)Nc3nc4ccccc4[nH]3)sc2c1 12588797 FVPLUEKXYUHLQG-UHFFFAOYSA-N 357.822 4.692 0 40 FJAB Cc1ccc(C)c(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 12617014 CNUGOKOQGGROEG-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB COc1ccc(OC)c(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 12730345 MHTZMYHTCODKKS-UHFFFAOYSA-N 351.402 4.535 0 40 FJAB O=C(Nc1nnc(-c2ccco2)s1)c1cccc(Oc2ccccc2)c1 12971379 VTNKRSFTZXBJNA-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB CC(C)CN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 13692368 MUIHCWLBBKSRGY-UHFFFAOYSA-N 369.848 4.921 0 40 FJAB biogenic CC[C@H](NC(=O)c1cc2cccc(C)c2nc1C)c1c(C)nn(CC)c1C 19500422 FGXOFWRRKARWGU-IBGZPJMESA-N 364.493 4.566 0 40 FJAB CC(C)(C(=O)Nc1ccccc1OCc1ccccn1)c1cccc(F)c1 19713988 OMWWVURHLFYUFP-UHFFFAOYSA-N 364.420 4.716 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Br 20108840 HABXPDMQAOTXCM-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)C2CCCC2)c1 22227773 QSQNHCOYPTVTAM-QGZVFWFLSA-N 364.489 4.925 0 40 FJAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1 23411100 SEKJOQWDCAVXAG-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)CNc1ccccc1C(C)=O 24237627 IJFQFRLEIQEKCS-UHFFFAOYSA-N 358.869 4.718 0 40 FJAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)cc1 25065951 KLHUKSDTEZXTDL-DTQAZKPQSA-N 356.425 4.964 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1Cl 28286974 XGKGVIYTZCRNDE-GFCCVEGCSA-N 368.820 4.879 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 28287018 JMJXWGBPXZQZDD-LLVKDONJSA-N 368.820 4.879 0 40 FJAB CC(C)c1csc(NC(=O)c2ccccc2NC(=O)c2ccccc2)n1 32810697 QVTLSGDLOWAZMZ-UHFFFAOYSA-N 365.458 4.771 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccccc2)c1 41008058 CRXVQRWUYUBBDT-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB Cc1cc(NC(=O)C2CCN([C@@H](C)c3cccc4ccccc34)CC2)no1 65280980 ZMCZXBNFBHYJFL-INIZCTEOSA-N 363.461 4.548 0 40 FJAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1cc(Cl)ccc1Cl 70761220 SDVIJWBAYYAPEU-GOSISDBHSA-N 360.240 4.610 0 40 FJAB Cc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333527 FQOGJLHPRSQFGF-UHFFFAOYSA-N 350.491 4.629 0 40 FJAB COc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1F 78875831 AVGRYIVZMBEBQU-STQMWFEESA-N 368.235 4.561 0 40 FJAB CCOc1cc(C=O)c(Br)cc1OCc1cccc(Cl)c1 95094994 YGBOSMCWLWCYSZ-UHFFFAOYSA-N 369.642 4.893 0 40 FJAB Cc1c(C(=O)NCc2ccccc2-c2ccsc2)cnn1-c1ccccc1 96122939 WPGDJXPJWUYPQM-UHFFFAOYSA-N 373.481 4.839 0 40 FJAB COc1cc(CNC23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)cc(OC)c1 97164456 OPFDBZIBJUSVFL-MYMYQCDVSA-N 369.427 4.695 0 40 FJAB CC1(C)Cc2ccccc2/C(=C\C(=O)Nc2ccc(Cl)cc2Cl)N1 101268294 MZGGBNPFQQLSFS-LICLKQGHSA-N 361.272 4.897 0 40 FJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102681826 WUYKWGBQZCUCIQ-PBWTXFEYSA-N 353.849 4.522 0 40 FJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](C(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118935283 BWTUOEBFEPGMCK-BORMIPFCSA-N 358.522 4.619 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccc(C(C)(C)C)cc1 224184604 WJOXDVJTOYAVDW-UHFFFAOYSA-N 367.489 4.808 0 40 FJAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)s1 224787838 FFWUJOMGBHPFKE-GFCCVEGCSA-N 365.524 4.570 0 40 FJAB Cc1cccc(-c2noc(CN(C)C(=S)Nc3ccc(Cl)cc3)n2)c1 225466138 ROEQJRYQKFHJCH-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c2cccnc12 225471290 KMRYHPWYRFZTKP-AWEZNQCLSA-N 351.475 4.599 0 40 FJAB O=C(NC1CCCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225578514 ZLUHTFQCGRFOOA-UHFFFAOYSA-N 366.908 4.530 0 40 FJAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccccc2OC)c2ccccc2O1 225605509 LKCFEUHIKZEXMK-IQGVVSCOSA-N 365.473 4.907 0 40 FJAB CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)c(OC)c1 225717901 LKORXYQFMLQGQS-AWEZNQCLSA-N 364.898 4.795 0 40 FJAB Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1Cl 225793597 KOXIETZSKIZYPT-UHFFFAOYSA-N 351.837 4.590 0 40 FJAB COc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@H]3C)c(C)cc2N)cc1 226331307 ZMAAOGUCPDFIAX-IYBDPMFKSA-N 367.493 4.605 0 40 FJAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1 409198131 XVUJKCJWZHELPQ-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB Clc1cc2ccccc2nc1-c1nc([C@@H]2CCOc3ccccc32)no1 567315937 KXCFURAWVCGQMV-CQSZACIVSA-N 363.804 4.853 0 40 FJAB Brc1ccc2nc(N3CCCC3)nc(-c3ccccc3)c2c1 755268 QZNPHMKODMQJKI-UHFFFAOYSA-N 354.251 4.660 0 40 FJAB COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC)ccc3c2=O)c1 1448012 GIYODJLPICLXOM-UHFFFAOYSA-N 366.291 4.621 0 40 FJAB biogenic CC1(C)[C@]2(C(=O)Nc3nc(-c4ccccc4)cs3)CC[C@@]1(C)C(=O)C2 1448355 FDXYOSKZQITBDY-VQTJNVASSA-N 354.475 4.534 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 1516586 ZPYPYUIAPGEMOE-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB O=C(O)C[C@@H](c1ccccc1Cl)[C@@H](CC(=O)O)c1ccccc1Cl 1713621 CFXGZHXOVDCVMZ-KBPBESRZSA-N 367.228 4.810 0 40 FJAB O=C(Nc1ccc(CCO)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1752615 CHNSJPCSBSTFCI-UHFFFAOYSA-N 358.747 4.538 0 40 FJAB CC1(C)OC[C@H](COCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1 2274979 SKOWQRVISCLQET-HNNXBMFYSA-N 350.499 4.655 0 40 FJAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 2618873 TWOJHETXVLNLJP-LLVKDONJSA-N 359.838 4.509 0 40 FJAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2ccccc2)cn1 3104436 BSJVGRSIECJHHE-CCEZHUSRSA-N 369.273 4.609 0 40 FJAB COc1cccc(NC(=O)c2oc3ccc(Br)cc3c2C)c1 3561763 QUSJPQCISICBGQ-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB CC(/C=C(\C)c1ccc(C)cc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4273558 UQJVWPLGIHPMOU-FFJIKSGMSA-N 354.366 4.703 0 40 FJAB CC(C)CCNC(=O)CCC(=O)NC1CCCCCCCCCCC1 4616703 UNHHSKQXIGAROZ-UHFFFAOYSA-N 352.563 4.718 0 40 FJAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4666782 KHEZIAQMLFFOSK-JCZUWBLBSA-N 358.522 4.942 0 40 FJAB CCOC(=O)C[C@H](c1ccccc1)[C@@H](C(=O)OC(C)(C)C)c1ccccc1 5716989 PVOBBYSKDRJEKA-CTNGQTDRSA-N 368.473 4.849 0 40 FJAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 5841888 TXCGTKPMQPVHIO-UHFFFAOYSA-N 351.233 4.840 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1cnc(Cl)c(Cl)c1 6377243 SRRUMGJDCINBLD-UHFFFAOYSA-N 364.001 4.542 0 40 FJAB C[C@H]1Sc2nnc(Cc3cccc4ccccc34)n2N=C1c1ccccc1 7238804 SDEFNNCOWAGZAT-OAHLLOKOSA-N 370.481 4.769 0 40 FJAB CCOC(C(=O)NC1CCC(C)CC1)(c1ccccc1)c1ccccc1 7782917 SLAAEGUCRITHMZ-UHFFFAOYSA-N 351.490 4.662 0 40 FJAB COc1ccc(F)cc1CN1CCC(c2nc3ccccc3s2)CC1 8202017 LQVSOFWAAWMKDJ-UHFFFAOYSA-N 356.466 4.824 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCC1 8231354 DCIHVIPMYAZYQZ-KRWDZBQOSA-N 352.865 4.870 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ccccc1F 8324961 BXDSUADUOUESFK-LBPRGKRZSA-N 360.479 4.747 0 40 FJAB Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 8723889 CFVKWLSNWZAACZ-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB Cc1cccc(OCCCNC(=O)c2sc(-c3ccsc3)nc2C)c1 12397890 XJLBGDGGNZUGJL-UHFFFAOYSA-N 372.515 4.687 0 40 FJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCc1ccccc1 12627839 IABOUMSLHNGOPO-KRWDZBQOSA-N 373.456 4.753 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 12977994 ALWCVCVOVTVQRR-HUUCEWRRSA-N 351.421 4.968 0 40 FJAB CC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 14611870 GZLIPAFSJXROEC-KNQAVFIVSA-N 358.478 4.694 0 40 FJAB biogenic,in-vitro O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 14861854 KLFABTZBSKLNJQ-SJPCQFCGSA-N 373.456 4.564 0 40 FJAB CCOc1ccc2nc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)sc2c1 18207768 CXISTHUJQKTBPT-BETUJISGSA-N 364.536 4.577 0 40 FJAB COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl 20036987 ARFCEOQGHFCDPK-UHFFFAOYSA-N 372.896 4.833 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 20900064 ABZZCFZGZTVLPP-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3F)n2)cc1 24565461 JUOZYFIJKRPQCV-ZDUSSCGKSA-N 356.422 4.664 0 40 FJAB O=C(Cc1cccc2ccccc12)NCCc1csc(-c2ccccc2)n1 27993572 NMVZXUXKECXXMQ-UHFFFAOYSA-N 372.493 4.865 0 40 FJAB C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)n1cnc2ccccc21 30646852 AEHXLIKSONPGLV-KBXCAEBGSA-N 353.853 4.614 0 40 FJAB COc1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 30867423 STROCBBQMKYHGC-UHFFFAOYSA-N 372.468 4.900 0 40 FJAB C[C@@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)n1cnc2ccccc21 32914276 JTSUDDIDMWRRNQ-SWLSCSKDSA-N 371.893 4.604 0 40 FJAB COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1 35325464 IWDQZPRHDLRVSL-OAHLLOKOSA-N 370.861 4.946 0 40 FJAB Brc1ccc(OCOc2ccc(Br)cc2)cc1 39234610 BQMKFOLOLZRPND-UHFFFAOYSA-N 358.029 4.627 0 40 FJAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cccc2n1 57315958 OEKPCXHUJRPMTH-UHFFFAOYSA-N 363.486 4.793 0 40 FJAB COc1cc([C@H]2SCC(O)=Nc3ccsc32)ccc1OC(F)F 71279917 WONQJQCTGVFHHV-CYBMUJFWSA-N 357.403 4.782 0 40 FJAB Cc1ccc(SCC(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1 72288769 SRPSWGZOJLEOLN-MRXNPFEDSA-N 367.518 4.895 0 40 FJAB Cc1csc([C@H](Cc2cccs2)NCc2cc3c(cc2C)OCO3)n1 72341766 VHFCFRKXNOJQNI-INIZCTEOSA-N 372.515 4.624 0 40 FJAB COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)cc1OC(F)F 95453812 YLSXNIZXOIVXGZ-QGZVFWFLSA-N 362.420 4.809 0 40 FJAB CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1cccc2[nH]ccc12 95467102 SPHGMWUJTKXCDT-LJQANCHMSA-N 372.856 4.586 0 40 FJAB CC(C)[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 96231584 GDOWJKIBVINQRS-QFIPXVFZSA-N 374.488 4.501 0 40 FJAB Cc1cc(/C=C2/SC(=S)N=C2O)cc(C)c1OCc1ccccn1 96305517 HYRQFBSRVAJCRA-OQLLNIDSSA-N 356.472 4.607 0 40 FJAB Cc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 102610085 BIHVFDNNTZQFIO-HRAATJIYSA-N 356.429 4.652 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 219518185 KSPNCBSULWOIMY-XLIONFOSSA-N 367.489 4.798 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 222895725 IWQLNOFAVDPTMY-UXHICEINSA-N 367.489 4.825 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc2c(c1)CCCC2 223072874 OLODNNXBMJCSOX-VGSWGCGISA-N 351.490 4.909 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223245755 WELNNBRDERGTAO-LSDHHAIUSA-N 357.881 4.782 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)COCc1cccn1-2 225379528 WHBFBTJWXJJPRP-OAHLLOKOSA-N 364.470 4.627 0 40 FJAB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225770051 FDJBYFAKMVRQRS-UHFFFAOYSA-N 361.441 4.535 0 40 FJAB CCOc1ccccc1NC(=S)NC1(c2ccc(OC)cc2)CCCC1 225847784 HPHGEUDWEJWIDJ-UHFFFAOYSA-N 370.518 4.850 0 40 FJAB COc1cc(Cl)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409112096 KDKUCZDNXVULTR-SXGWCWSVSA-N 371.864 4.900 0 40 FJAB Cc1oc2ccc(NC(=O)N3CCc4cc(F)c(F)cc4C3)cc2c1C 1203600280 JNIGODHERAODBM-UHFFFAOYSA-N 356.372 4.918 0 40 FJAB O=C(NCc1cc(-c2ccco2)cs1)NC12CC3CC(CC(C3)C1)C2 1775969104 XUXKRMARFAVTTI-UHFFFAOYSA-N 356.491 4.776 0 40 FJAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)no2)cc1 1775977088 VZLGEFYTDQUNAY-YPMHNXCESA-N 366.248 4.575 0 40 FJAB CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccc(OC)cc2)cs1 929080 BOZDBGWLXNUZGF-UHFFFAOYSA-N 352.459 4.794 0 40 FJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1)CO3 2112505 MJPVFGVDOODELF-UHFFFAOYSA-N 367.420 4.940 0 40 FJAB biogenic Cc1cc(C)cc(-c2nnc3sc(Cc4c(F)cccc4Cl)nn23)c1 2182933 NXCGXGLWRKSIAO-UHFFFAOYSA-N 372.856 4.853 0 40 FJAB CC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1 2350223 USJROCKSSLPBHU-UHFFFAOYSA-N 361.873 4.584 0 40 FJAB CCCc1cc(C)nc(SCC(=O)Nc2ccc3ccccc3c2)n1 2739521 KMXNBPGRZDGSAQ-UHFFFAOYSA-N 351.475 4.622 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 3226278 OGGSPEDMBGWFCN-UHFFFAOYSA-N 356.834 4.918 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1ncc(Cl)cc1Cl 3276985 IVKMVLHZXATUSS-UHFFFAOYSA-N 370.286 4.729 0 40 FJAB CCOc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1 4339992 FRTWYMWVCMXDAB-UHFFFAOYSA-N 368.772 4.619 0 40 FJAB biogenic Cc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 4858929 PIFVZANNSIAESL-INIZCTEOSA-N 364.518 4.756 0 40 FJAB CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(Br)cc1)=NO2 5173752 MXYQWAFGGWGFEV-IBGZPJMESA-N 371.278 4.697 0 40 FJAB O=C(CSc1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 6083520 CQVBVYKRLZWIFK-UHFFFAOYSA-N 365.429 4.788 0 40 FJAB Clc1ccc(C2=Nc3ccc(Cl)cc3C(c3cccnc3)=NN2)cc1 6445077 KCDZCWXDAPMIOS-UHFFFAOYSA-N 367.239 4.822 0 40 FJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Cl)s1 6461174 WEVLHGJUEGKFIJ-UHFFFAOYSA-N 371.845 4.916 0 40 FJAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc(O)cc1 6590563 RNMNPGGSJVRNKR-HNNXBMFYSA-N 354.456 4.507 0 40 FJAB Cc1ccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5s4)c3C2)cc1 6661972 LYLUPFMXCNGYJB-OAHLLOKOSA-N 359.454 4.703 0 40 FJAB Cc1cccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccs2)c1 6679135 DQWUERNETXNJQS-DYVFJYSZSA-N 369.515 4.714 0 40 FJAB O=C(c1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6786451 QUNOPOSKEQNIIR-OAHLLOKOSA-N 372.877 4.776 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)c(Cl)c1 6789778 BXFIRWHVWLIZKB-UHFFFAOYSA-N 351.258 4.875 0 40 FJAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C 7053039 WDULTLLYXIJRLN-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB O=C(N[C@@H]1CCCc2ccccc21)c1ncc(Cl)c(Cl)c1Cl 7264118 CCBHYRQFEOOISF-GFCCVEGCSA-N 355.652 4.849 0 40 FJAB O=C(CCc1ccc(-c2ccccc2)o1)OCc1nnc(-c2ccccc2)o1 7293272 PWNHIUYCTNDHEM-UHFFFAOYSA-N 374.396 4.673 0 40 FJAB COc1cc(NC(=S)Nc2ccc(C)c(F)c2)c(OC)cc1Cl 7374895 NVLSVMPNZBRLHD-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 7401779 XNSYOYRBQHHIHH-LJQANCHMSA-N 351.446 4.654 0 40 FJAB Cc1cnc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)s1 7800639 OKPGUBHAHNBHNL-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccsc2)cc1 7884420 YMSNGOAPWAVLGE-HXUWFJFHSA-N 364.470 4.566 0 40 FJAB Cc1ccc(-c2nnc(CCC(=O)N[C@H](c3cccs3)C(C)C)o2)cc1 8013346 ZAANSXMVECZVKX-IBGZPJMESA-N 369.490 4.553 0 40 FJAB Cc1c(C(=O)CSc2nnc(C3CC3)n2C2CC2)sc2ccccc12 8252340 KOPMZULNFXWCEL-UHFFFAOYSA-N 369.515 4.989 0 40 FJAB COc1cc(Cl)c(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1OC 8708220 HQHJAWNTPPECEM-UHFFFAOYSA-N 373.836 4.901 0 40 FJAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)on1 12185347 NCCBVYPZRWQPPM-QGZVFWFLSA-N 369.396 4.535 0 40 FJAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 12673071 ZPANNUMIMZUMEQ-SCLBCKFNSA-N 373.294 4.517 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 12899359 QJTFZIFRVNQWAS-CQSZACIVSA-N 352.459 4.833 0 40 FJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccs1 14185331 FBAHSEPDEMWVGI-UHFFFAOYSA-N 352.246 4.552 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@H]3CCCC[C@H]3C)s2)cc1 21875667 NIGBCBFEKGTHGL-PBHICJAKSA-N 358.507 4.647 0 40 FJAB O=C(Nc1ccccc1OC(F)F)c1ccc(OCc2cccnc2)cc1 24443162 DDKKPSRJQFMUAC-UHFFFAOYSA-N 370.355 4.514 0 40 FJAB Cc1occc1C(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 28221562 BTGOZYDIAJJLMK-UHFFFAOYSA-N 363.348 4.696 0 40 FJAB CN(Cc1nc2ccccc2n1C/C=C/c1ccccc1)C(=O)c1ccco1 31903387 NWKZRXSONVSQAP-YRNVUSSQSA-N 371.440 4.615 0 40 FJAB Cc1ncc(NC(=O)c2cccs2)n1-c1nc(-c2cccs2)cs1 35682738 HGHWQYCNADSHAX-UHFFFAOYSA-N 372.500 4.680 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c1 44900155 MYSAMZQAWNHEGX-LJQANCHMSA-N 369.461 4.585 0 40 FJAB CCn1c(SCc2c(F)cccc2Cl)nc2ccsc2c1=O 46569339 GQRFBXGBGUGPPH-UHFFFAOYSA-N 354.859 4.563 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)c2cccs2)cc1 57470804 DTCOOPGRQHHQRT-JXFKEZNVSA-N 350.487 4.763 0 40 FJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c(-c2cccs2)n[nH]c1=S 64334331 GRLMIRWUZGPILZ-VIFPVBQESA-N 364.883 4.522 0 40 FJAB CC(C)c1ccc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)cc1 64961034 WPGOIUQCXRGUFG-UHFFFAOYSA-N 363.392 4.518 0 40 FJAB C[C@H]1Cc2ccc(F)cc2CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 72292024 FEYAIHOUVDXDQH-JTQLQIEISA-N 370.321 4.962 0 40 FJAB CC[C@](CO)(NCc1csc(-c2ccc(C)cc2)n1)c1ccccc1 72305155 AYXBTLKTBRBRTL-OAQYLSRUSA-N 352.503 4.506 0 40 FJAB C[C@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1 72427660 WLCKKXLHDCKRBQ-JTQLQIEISA-N 366.364 4.913 0 40 FJAB COc1cccc(CCCNC(=O)c2c(C)c3cc(Cl)ccc3n2C)c1 141596394 XXAFMDGYNTXWQN-UHFFFAOYSA-N 370.880 4.511 0 40 FJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C(C)C 222915572 BLXYMHPEQKJSOF-VQTJNVASSA-N 370.566 4.709 0 40 FJAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223153153 SRLWJBLQMDOBII-AWEZNQCLSA-N 359.922 4.939 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1C 223437730 GMTWWKRMBZCHEC-IBGZPJMESA-N 350.506 4.699 0 40 FJAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1cccnc1Cl 223992174 OPCMVKVGWWQEQG-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)n1 225293048 IEERERKVUVJLGJ-IBGZPJMESA-N 361.489 4.656 0 40 FJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225624846 LFRKXMVVTATUJN-AUUYWEPGSA-N 371.905 4.678 0 40 FJAB O=C(CSCc1cccc(Cl)c1)NCc1cccc(C(F)(F)F)c1 225738905 QYMPQFPLBNNVLC-UHFFFAOYSA-N 373.827 4.908 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2cccnc12 225902826 PRWRVOIYJDNZDP-OAQYLSRUSA-N 356.466 4.557 0 40 FJAB Cc1ccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)nc1 257249987 JKNVFMGOXNULHD-HXUWFJFHSA-N 362.429 4.685 0 40 FJAB Fc1cnc(Nc2ccc(Br)cc2)nc1NCc1ccccc1 261508732 WIBSGUSQWHWSQX-UHFFFAOYSA-N 373.229 4.734 0 40 FJAB Cl[C@]1(Br)[C@H]2CC[C@H]3[C@H](CC[C@H]21)[C@]3(Cl)Br 307087886 SFVAUXRMMFFMJV-JFFSLAIJSA-N 362.920 4.712 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408562182 NXBBZTLLJOKPCB-XDOYNYLZSA-N 354.450 4.734 0 40 FJAB COc1cccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)c1 408574588 SIDDLKOOEVNDAO-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB CCc1oc2ccccc2c1CC(=O)N[C@@H](c1ncc(C)s1)C1CC1 528661020 GYIQNLIIBGNGFZ-LJQANCHMSA-N 354.475 4.570 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)CSCc1ccccc1 1049823 STELEKIZXSRWON-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB COc1ccc(CSc2nnc(-c3sccc3-n3cccc3)o2)cc1 1398816 JFAKKXHWRKWBAC-UHFFFAOYSA-N 369.471 4.890 0 40 FJAB CCCCn1nc(NC(=O)c2ccccc2F)c2cc3ccccc3nc21 2207784 DVWPGUMDLZWIED-UHFFFAOYSA-N 362.408 4.776 0 40 FJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)C1CCCCC1 3135898 BLWBZNQBQXCJRR-UHFFFAOYSA-N 366.461 4.775 0 40 FJAB COC(=O)c1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3233315 MBCKLVYSHLDYOR-UHFFFAOYSA-N 372.848 4.682 0 40 FJAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c1 3559307 WQZKBVXRTWSGHB-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H](C)CC)c3C)C2)cc1 4686298 YBSQWUNMMYRDHT-BBRMVZONSA-N 369.461 4.590 0 40 FJAB c1ccc(-c2nc(NCc3nc4ccccc4[nH]3)c3ccccc3n2)cc1 5265662 LNWOPCIOZVGNAV-UHFFFAOYSA-N 351.413 4.785 0 40 FJAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(Cl)cc1Cl 6145600 GOQCNEZLKRBIIF-XVNBXDOJSA-N 353.201 4.679 0 40 FJAB O=c1[nH]c(/C=C/c2ccc(OC(F)F)cc2)nc2sc3c(c12)CCCC3 6509092 JUCJLVHAFWSZLS-JXMROGBWSA-N 374.412 4.635 0 40 FJAB Cc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 7509954 IZJVVMUZOCBJCI-UHFFFAOYSA-N 350.422 4.531 0 40 FJAB COc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc(Cl)c1O 7813584 MOHPATRPLWJMGH-LBPRGKRZSA-N 355.821 4.698 0 40 FJAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 8076060 VCYPGHVOGMRJIK-UHFFFAOYSA-N 355.825 4.524 0 40 FJAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1C 8230773 RXIITCMZLDCRAO-CYBMUJFWSA-N 357.504 4.822 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 8276187 UVALDGDKWDOLGG-UHFFFAOYSA-N 363.413 4.677 0 40 FJAB Cc1ccc2nc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 8686415 UUGOZJOHEGMUGL-YOEHRIQHSA-N 365.502 4.546 0 40 FJAB aggregator COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccnc2)cc1Cl 8719562 SDNKLDNPILJOSX-IBGZPJMESA-N 365.820 4.515 0 40 FJAB Cn1c(-c2ccccc2)c([C@H]2NC(=O)c3ccccc3N2)c2ccccc21 8720920 NVXSNXZLTIQOQO-JOCHJYFZSA-N 353.425 4.699 0 40 FJAB Cc1ccc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2n1 8798453 YNKFKQHOZBTOFT-UHFFFAOYSA-N 356.425 4.979 0 40 FJAB Brc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1 9002131 DWESXDFWUVFAMH-UHFFFAOYSA-N 373.235 4.618 0 40 FJAB O=C(CCc1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 9503053 XMWIMAKPHSRRKS-UHFFFAOYSA-N 368.864 4.820 0 40 FJAB Cc1cc(NC(=O)[C@H](C)Nc2ccccc2Oc2ccccc2Cl)no1 12586447 VRXMWNCFBNPBJQ-ZDUSSCGKSA-N 371.824 4.868 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3cccc(Cl)c3)c12 12749676 FQTHVVNQVUPSJA-SNVBAGLBSA-N 355.825 4.553 0 40 FJAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1F 12897705 RQDJCQCRWNOFGP-UHFFFAOYSA-N 352.413 4.589 0 40 FJAB O=c1[nH]c(-c2cccc(Cl)c2Cl)nc2sc3c(c12)CCCC3 16383968 JGENOQBXQSAOMH-UHFFFAOYSA-N 351.258 4.837 0 40 FJAB COc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1OC 17198524 XJNCKCDEJNIDCT-HXUWFJFHSA-N 357.475 4.606 0 40 FJAB Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 20897394 OLVOLQGYVPJEOQ-AWEZNQCLSA-N 358.507 4.620 0 40 FJAB COc1ccccc1CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 22056695 GVROOAQHTKAPTH-QHCPKHFHSA-N 370.452 4.890 0 40 FJAB O=C(Nc1c(Cl)cccc1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235271 VFNBMZBDLNWDLF-UHFFFAOYSA-N 373.239 4.507 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)c1c[nH]c2ccccc12 25175565 KNENVHMOJRMYJJ-HNNXBMFYSA-N 358.445 4.654 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 25616337 IPBZCAPJFNKUGJ-AWEZNQCLSA-N 370.399 4.772 0 40 FJAB Cc1nc(NC(=O)COC(c2ccccc2)c2ccccc2)sc1C 32674775 IMQCGJUNEGHNFM-UHFFFAOYSA-N 352.459 4.505 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(Cl)cc1 44946141 GTXSUWLHNBTJCH-LJQANCHMSA-N 359.897 4.863 0 40 FJAB S=C(NCc1cccs1)N(Cc1ccccc1)Cc1ccccc1 45299019 UOTXRPQFQMLJAG-UHFFFAOYSA-N 352.528 4.825 0 40 FJAB O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)c1ccc2ccccc2c1 47619849 HSJNCWJUOBWAMA-UHFFFAOYSA-N 367.401 4.608 0 40 FJAB CCCC(=O)Nc1ccc(CNCc2cc(Br)cs2)cc1 47719276 AQMMFWUCRVZKSO-UHFFFAOYSA-N 367.312 4.539 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2ccc(O)cc2)CC1 48373913 PZTJOWXHZIPJMJ-HNNXBMFYSA-N 373.880 4.528 0 40 FJAB Cc1c(C(=O)N2CCC(N(C)c3ccccc3)CC2)oc2ccc(F)cc12 57088950 JUHKNKLIQNLVHX-UHFFFAOYSA-N 366.436 4.621 0 40 FJAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(O)=N2 71279829 FDKYGHALGUMVNN-GFCCVEGCSA-N 366.248 4.722 0 40 FJAB Cc1cc(C(=O)N(C)Cc2ccc(F)cc2F)c(C)n1Cc1ccccc1 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C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223208945 JGSXBXBQFGVSBF-SJORKVTESA-N 359.469 4.973 0 40 FJAB Cc1cccc(CSCC(=O)NCCOc2ccc3ccccc3c2)c1 223638847 SXFBWKVZEOIPFD-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB Cc1cccc(OCCNC(=O)CCc2ccc(Cl)cc2Cl)c1C 223971522 WRYAGGMBYNBILF-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB CCOCc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OCC 224701627 FXZNKZOCVVUSFM-CQSZACIVSA-N 361.869 4.766 0 40 FJAB CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 226254355 XZEWVJHKLNDREF-UHFFFAOYSA-N 351.494 4.881 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCc2ccccc2Cl)cc1 247730604 GZOIADSRYIUVIJ-DKICVRJWSA-N 355.865 4.837 0 40 FJAB CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 408579354 GBXYIPZDLSSKEX-UHFFFAOYSA-N 365.454 4.721 0 40 FJAB C[C@@H]1C[C@H](CCNC(=O)N2Cc3ccccc3-c3ccccc3C2)CCO1 542304729 VTITTWFVSVSLQE-QZTJIDSGSA-N 364.489 4.584 0 40 FJAB C[C@]1(c2nc(Cc3cccc4cccnc34)no2)CCc2ccccc2C1 545010434 PAXPFIYSRTWARX-QHCPKHFHSA-N 355.441 4.655 0 40 FJAB O=C1CC[C@]2(CCCN(CC3CCCCC3)CC2)N1CC1CCCCC1 585100661 SCJXRRBOIPFENT-QHCPKHFHSA-N 360.586 4.994 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1CC[C@H](c2ccsc2)C1 667367862 IEDRTKIJKNPXAA-JTQLQIEISA-N 370.699 4.794 0 40 FJAB Cc1cccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1528557544 DZEOZSVPHMQNQH-HXUWFJFHSA-N 372.459 4.619 0 40 FJAB Cc1csc(CN2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 2037989099 VOYYFZPKASMPND-HXUWFJFHSA-N 359.514 4.614 0 40 FJAB CN(C(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccccc1 632988 QWTJTPGETOJFSD-UHFFFAOYSA-N 353.425 4.816 0 40 FJAB Cc1cccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1C 1993415 SXFINOGOXMPJIE-UHFFFAOYSA-N 373.452 4.617 0 40 FJAB COc1ccc(CNCC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC 2106273 YNIYTXHJCHUJKZ-RTBURBONSA-N 363.542 4.661 0 40 FJAB biogenic COC(=O)CCc1sc(Nc2ccccc2)nc1-c1ccc(OC)cc1 2229719 NUEXVEBCFYYQEL-UHFFFAOYSA-N 368.458 4.668 0 40 FJAB CC(C)Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 2618989 WSCNRBMDLMHZRO-UHFFFAOYSA-N 364.392 4.905 0 40 FJAB Cc1ccccc1NC(=O)C[C@@H]1C[C@@H](C(=O)Nc2ccccc2C)C1(C)C 3172175 FGSSIGKBEJZSTR-ROUUACIJSA-N 364.489 4.933 0 40 FJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C)s2)cc1 3234904 WTFXFUCZUNGBAK-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ncc(C)s2)cc1OCC 3340413 LAPKQNCECOXNMB-UHFFFAOYSA-N 354.859 4.545 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2ccccc2[nH]1 3454585 QTUYKXAMVYPVIJ-UHFFFAOYSA-N 370.771 4.571 0 40 FJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)[C@@H]1CCCO1 3455871 IEPNSHZILHEGAP-SFHVURJKSA-N 350.443 4.595 0 40 FJAB Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccco3)nc12 5265342 LOXVVDUJINMNGT-UHFFFAOYSA-N 363.442 4.748 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC 5466629 FZCAYQDZLDPEFU-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB CCOc1ccccc1C(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12 5478092 GMGCJNPOAMWARO-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCCOc3ccccc3)c2C1 5938141 ADCKTMDWQNLNNA-INIZCTEOSA-N 361.441 4.595 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)c3ccc(COc4ccccc4)o3)sc2C1 6609281 VBMQUAHYAKDIIO-CYBMUJFWSA-N 368.458 4.692 0 40 FJAB CCOc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OCC 6610672 NXMOJETVBWJNRA-CYBMUJFWSA-N 359.491 4.923 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCOc2ccccc21 7215305 XMDRNHAINYDDHD-MRXNPFEDSA-N 368.820 4.557 0 40 FJAB C[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)CCCC2 8268039 BGPFZPHZGPFTOY-CQSZACIVSA-N 366.486 4.676 0 40 FJAB CCc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)[nH]1 11712754 JBPDSFIRBCROQB-LJQANCHMSA-N 362.458 4.565 0 40 FJAB Cc1ccc2oc(=O)c(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)cc2c1 12878158 SDPMSSCNARWLSN-UHFFFAOYSA-N 372.302 4.837 0 40 FJAB COc1cc(C)c(NC(=O)c2sc(-c3ccsc3)nc2C)cc1OC 13021385 DRDSUSIPUFAGFW-UHFFFAOYSA-N 374.487 4.758 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710805 UBZQNYGHECZSNJ-QGZVFWFLSA-N 369.461 4.666 0 40 FJAB CCCSc1nnc(NC(=O)Cc2coc3cc(C)cc(C)c23)s1 16742312 NBCMJBRAUBIKFN-UHFFFAOYSA-N 361.492 4.584 0 40 FJAB COc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nccs1)CCC2 19550640 WPKCRIPLIQRECE-SFHVURJKSA-N 370.543 4.776 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20138827 KRIVKRKQMWXBQX-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccsc1 24754162 JGSLGHCRFOCCRH-UHFFFAOYSA-N 372.881 4.639 0 40 FJAB CC(C)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1 32642843 GXNZCWLKEVDBLT-UHFFFAOYSA-N 360.461 4.606 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(F)c3)cc12 35509937 SMKDKDKFVCFLAI-UHFFFAOYSA-N 369.396 4.926 0 40 FJAB O=C(/C=C/C=C/c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 35672546 UOQAICYYVNUOPT-GODDPXKCSA-N 358.441 4.803 0 40 FJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccc1 36246354 IZNMVQPGAGPQNU-UHFFFAOYSA-N 357.862 4.736 0 40 FJAB CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 39143241 AYVXWNDWJXSNJK-AVRDEDQJSA-N 350.506 4.798 0 40 FJAB C[C@]12CC[C@@H]3[C@@H]([C@H](S)CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 44964187 NZCDWYJROUPYPT-RUQOHVRTSA-N 374.546 4.502 0 40 FJAB Cc1nc2cc(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)ccc2n1C 58167355 QYMPRCHNYYZXMV-UHFFFAOYSA-N 371.868 4.822 0 40 FJAB C[C@H](NC(=O)CNc1ccc2c(c1)Cc1ccccc1-2)c1ccc(F)cc1 60465687 YEJPIJWIXWLJPS-HNNXBMFYSA-N 360.432 4.686 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3nc(-n4nc(C)cc4C)sc3c2)c1 72229729 SSZRKLQSFYBTPF-UHFFFAOYSA-N 362.458 4.660 0 40 FJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1cccnc1Cl 72400873 ZWCJHHYYRXEXOH-UHFFFAOYSA-N 364.792 4.656 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 78459054 POYGBWKJCYHRCP-IAGOWNOFSA-N 355.478 4.772 0 40 FJAB S=C(/N=c1\sc2ccccc2n1-c1ccccc1)Nc1ccccc1 100510645 KPXPIUXWZQLAKV-XDOYNYLZSA-N 361.495 4.990 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(Cl)cc2Cl)c1 105835401 WVSNTZSYWVDLCV-UHFFFAOYSA-N 366.244 4.660 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CCCc2ccccc21 225066006 UVLAZNKTJMFOJQ-DHIUTWEWSA-N 363.501 4.917 0 40 FJAB O=C(O)CCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 225295954 HBBOQRGWKSPDGW-UHFFFAOYSA-N 363.244 4.799 0 40 FJAB COc1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1 225603037 ULEVQKIUWGIZAR-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1OC 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CC(C)[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCCO2 6790024 YEKDRSWJXBXYKD-NRFANRHFSA-N 365.429 4.721 0 40 FJAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(C)c(Cl)c4)c3C)n2)cc1 7006605 BDAZPNWRUZQGSP-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7079597 VQCXKPIPPDQIKL-HNAYVOBHSA-N 364.489 4.809 0 40 FJAB CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8903094 PUDMBQKPMCDOGH-UHFFFAOYSA-N 367.474 4.841 0 40 FJAB Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2ccccc2n1 11361106 BBQUYLUTQYVGDD-UHFFFAOYSA-N 371.396 4.641 0 40 FJAB Cn1/c(=N\C(=O)c2ccc(Cc3ccccc3)cc2)sc2ccccc21 11617464 GQVLCHHCPNVHHM-GHVJWSGMSA-N 358.466 4.572 0 40 FJAB COc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 12527790 IBMYTOZLLFTVAX-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2ccccc2)cc1 12552580 PJKJWAHQMSYDPP-UHFFFAOYSA-N 363.486 4.658 0 40 FJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c(C)c1 12748472 SGTGTUKFEFEXTG-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(C)c2C)cc1 12886791 RNMKXYGHAAAPRZ-JOCHJYFZSA-N 366.505 4.868 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1 13689166 UABOCJPKFUPABJ-KRWDZBQOSA-N 365.498 4.657 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 14399706 DRBJTOPVOOQTQO-HXUWFJFHSA-N 359.469 4.991 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 15625802 JCYXGNITCXCXBX-UHFFFAOYSA-N 352.434 4.834 0 40 FJAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 16130131 MMEDQEFNHFCPIK-UHFFFAOYSA-N 369.286 4.525 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2ccccc2)CCOCC1 16985256 RORXCRFIRVFQGB-UHFFFAOYSA-N 350.245 4.680 0 40 FJAB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)cc1C 18210229 XQENYHWRDBOVQH-PXLXIMEGSA-N 368.436 4.943 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)c(OC)c1 20034828 YNTUMDLRMIXZAW-IBGZPJMESA-N 365.429 4.653 0 40 FJAB O=C(Nc1ccon1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 27976704 NAHRGKWVCIPTMS-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB CC(C)c1ccccc1-n1ccnc1SCc1nnsc1Cl 29901810 QFSACKUPPSNSNI-UHFFFAOYSA-N 350.900 4.793 0 40 FJAB CC(=O)N(CCC1(Cc2ccccc2)CCCC1)[C@@H]1CCOC(C)(C)C1 32091106 FLBNLMFFQQEWNT-OAQYLSRUSA-N 357.538 4.986 0 40 FJAB CSc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36360913 YMOQMRPQQZUVLI-AWEZNQCLSA-N 359.520 4.979 0 40 FJAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38833753 ZFXVRXWNPGFHAO-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB O=C(Nc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 39762404 PCKCPDULROEQGK-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB CC[C@@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1OC(F)F 40088369 KTANRIMDOLQXFF-OAHLLOKOSA-N 350.365 4.569 0 40 FJAB COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1-n1cnnc1 45920724 IYKMIRHZDVISGT-UHFFFAOYSA-N 368.396 4.751 0 40 FJAB COc1ccc(C2(C(=O)Nc3ccc(OC)c(Cl)c3)CCCC2)cc1 58781268 QHJSRNKWKWQBRS-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3)no2)cc1 61997087 CYPNAAFZRVLZRL-UHFFFAOYSA-N 366.417 4.781 0 40 FJAB COc1ccc2c(c1)CCC[C@]2(O)c1ccc(OCc2ccccc2)cc1 65742780 SEAUMVPUGNCROD-DEOSSOPVSA-N 360.453 4.846 0 40 FJAB in-vitro Cc1cccc2c1N[C@@H](c1ccc(Oc3ccccc3F)c(F)c1)NC2=O 70020212 ADSXRMNQDIKKSN-HXUWFJFHSA-N 366.367 4.920 0 40 FJAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1nc(C2CCCCC2)no1 74908387 ZDISUJHABNKXGV-HUUCEWRRSA-N 356.470 4.581 0 40 FJAB CN(C)CCNCC[C@@](C)(c1cccc(C(F)(F)F)c1)c1cccs1 96693165 DIQQAAZOAHNOAD-SFHVURJKSA-N 370.484 4.614 0 40 FJAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)C1 101512602 IMYHTICGAHSCKP-VOWSPCBNSA-N 360.885 4.848 0 40 FJAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3C)ccc2c1 222955085 NVQHNFMJBJXTCF-MRXNPFEDSA-N 369.486 4.505 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222994796 NCKUKAQJOAXDKI-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc2c(c1)CCCC2 222999232 USWOJQJTPMUVNC-QGZVFWFLSA-N 363.501 4.700 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(C)=O)c1 223343302 JSOUUSPZWZJOJG-OAQYLSRUSA-N 351.446 4.564 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1cccc2ccccc12 223509321 QATRNBUGCLRARD-MRXNPFEDSA-N 351.471 4.516 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1 224388677 PHHZLOIJYMREGV-KRWDZBQOSA-N 355.478 4.891 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(C)c(C)c1 224623876 PEUSGRZMDPRIIO-UHFFFAOYSA-N 367.489 4.907 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccc(Cl)cc1 225035026 LYLNBVQXSVNZLS-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Oc1cccc2ccccc12 225066633 JVYDDSZCIUUWGT-GOSISDBHSA-N 371.230 4.677 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1 225612355 VAOWVVPBRLRSSS-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226862170 SZORDCAEUHVHTO-UHFFFAOYSA-N 357.862 4.701 0 40 FJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409020697 SEZCYGMXBUZYPT-LQGZHCLWSA-N 360.262 4.837 0 40 FJAB Cc1cc(C)cc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 409380485 FLNBJGIQDFJIOL-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB CC1(C)CCC(N2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 585281653 NYUBHCKPWQELJP-UHFFFAOYSA-N 351.918 4.515 0 40 FJAB CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ocnc1C(F)F 627542843 DPZCMWHJKIURNC-QGZVFWFLSA-N 356.800 4.653 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2ccc(C)c(C)c2O)cc1 1046065 OZVUPDHCCWNUGQ-OAQYLSRUSA-N 371.436 4.902 0 40 FJAB CN1O[C@@H](COC(=O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccccc1 1391379 FPSQOSUDABANES-PBHICJAKSA-N 366.244 4.527 0 40 FJAB CC(C)CCN(CCC(C)C)C[C@@H](O)c1ccc(Br)cc1 2037104 GKZBLFPYBFCLKC-GOSISDBHSA-N 356.348 4.877 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC 2632637 QYBXECVYACMDLW-UHFFFAOYSA-N 367.417 4.590 0 40 FJAB CCCn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21 4060601 FYIUHYOJLYIWJB-UHFFFAOYSA-N 356.466 4.599 0 40 FJAB CCc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 4278958 QGGBBNQFXJQXOR-UHFFFAOYSA-N 368.454 4.596 0 40 FJAB O=C(O)CCSc1ncnc2scc(-c3ccc(Cl)cc3)c12 4284151 CCBBOQGFKAATRF-UHFFFAOYSA-N 350.852 4.579 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccs2)cc1C 4854603 PMDICKKVXNERFQ-IBGZPJMESA-N 351.475 4.804 0 40 FJAB CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(Br)cc1)=NO2 5173749 MXYQWAFGGWGFEV-LJQANCHMSA-N 371.278 4.697 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2ccccc12 5412298 MSHLJIJCYRKMFB-UHFFFAOYSA-N 359.834 4.984 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 5531639 HLZSQIIPCIDHTC-OAQYLSRUSA-N 366.424 4.554 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 5578354 KDWJYHMEUFWQSA-UHFFFAOYSA-N 365.458 4.638 0 40 FJAB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)N(C)Cc1ccccc1 5971845 LLPWJQYHHMNQTK-HNNXBMFYSA-N 368.527 4.949 0 40 FJAB Cc1cc(=O)n(C)c2nc(-c3cccc(C(F)(F)F)c3)c3c(c12)CCCC3 6585737 DNJOLUXMZDPHID-UHFFFAOYSA-N 372.390 4.807 0 40 FJAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Br)c1OC 6857338 PGRJRKSKWZOPOO-UHFFFAOYSA-N 358.320 4.771 0 40 FJAB Cc1ccc2c(CSc3nnc(-c4ccoc4C)o3)cc(=O)oc2c1C 7194875 UDDSJBFICRZZBL-UHFFFAOYSA-N 368.414 4.654 0 40 FJAB O=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCSc2ccccc21 7777936 XGHYTICODVWEQJ-HBWSCVEGSA-N 352.484 4.663 0 40 FJAB COc1cccc(CCC(=O)Nc2ccc(-c3ccccc3)cc2)c1OC 8276489 BPXRLKNDYDAXDY-UHFFFAOYSA-N 361.441 4.942 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 8335562 XWGQUNHMWHTWAE-UHFFFAOYSA-N 350.443 4.870 0 40 FJAB Cc1ccc(-n2nnnc2COc2ccc(-c3ccccc3)cc2)c(C)c1 9135256 FSGMROMXVWILSJ-UHFFFAOYSA-N 356.429 4.525 0 40 FJAB c1cncc(-c2nnc(SCc3nc4ccccc4s3)n2C2CC2)c1 9547833 QLXBBGVEXMQZSN-UHFFFAOYSA-N 365.487 4.577 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 9694998 MJEVUTDGWJZQMV-UHFFFAOYSA-N 357.862 4.949 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2cccs2)C(C)C)c2c1[C@H](C)CC2=O 11052954 RDOYMGYYTNQITL-SZNDQCEHSA-N 371.502 4.639 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2nnsc2c1 11692760 KYGLEZCDQNJNSN-UHFFFAOYSA-N 357.744 4.616 0 40 FJAB O=C(C[C@@H]1C=CCC1)Nc1ccnn1Cc1ccc(Cl)cc1Cl 12814740 YBLVODGOKXFCHC-GFCCVEGCSA-N 350.249 4.533 0 40 FJAB CSc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)s1 12877867 CHGXPPPAKCGBEB-UHFFFAOYSA-N 360.529 4.832 0 40 FJAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccco2)nn1-c1ccccc1 12878829 OIBJJKHGKCYUQH-UHFFFAOYSA-N 365.339 4.663 0 40 FJAB CC(C)c1noc([C@H](C)Sc2nnc(Nc3ccc(F)cc3)s2)n1 12924288 MBNPJQLPRXWVPE-VIFPVBQESA-N 365.459 4.781 0 40 FJAB O=C(Nc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 14631368 SYHCHWBILFCCIQ-UHFFFAOYSA-N 351.789 4.812 0 40 FJAB O=C([C@H]1Cc2ccccc2S1)N1CCC(c2c[nH]c3ccccc23)CC1 22283437 DGZIGXVGWKBLLL-OAQYLSRUSA-N 362.498 4.591 0 40 FJAB CC(=O)Oc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 23143615 LSYROZZCPMZMEA-INIZCTEOSA-N 359.425 4.770 0 40 FJAB Cc1c(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)oc2ccccc12 23951312 YWQWDROHIBJMHA-OUKQBFOZSA-N 371.392 4.729 0 40 FJAB Cc1ccc(C(=O)Nc2csc3c(NCc4ccccc4)ncnc23)cc1 28405315 XWOWHTRDQLODRH-UHFFFAOYSA-N 374.469 4.864 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1ccccc1OCc1c(C)noc1C 28409993 WEWOPGRTCOEKAU-UHFFFAOYSA-N 354.381 4.570 0 40 FJAB CCCC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 33662333 JISDVKIMOBMCPW-UHFFFAOYSA-N 354.837 4.916 0 40 FJAB CCCCn1nc(C)c(/C=C/C(=O)N[C@@H](C)c2cccs2)c1Cl 36333358 HOOZDRGRAQKECV-XEHSLEBBSA-N 351.903 4.597 0 40 FJAB COc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1F 36761454 MPSFEDKPYUNJBC-UHFFFAOYSA-N 373.424 4.974 0 40 FJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCCc2ccccc21 40128040 IGLAYFYNQOQSQV-UHFFFAOYSA-N 351.377 4.591 0 40 FJAB CCc1cccc2c(C3CCN(C(=O)c4ccccc4F)CC3)c[nH]c12 40157598 CDNYGENZJSRXNU-UHFFFAOYSA-N 350.437 4.889 0 40 FJAB COc1ccc([C@@H](Nc2nccc(C(F)(F)F)n2)c2ccccc2)cc1 44712126 MONIOPRGFKOLKE-KRWDZBQOSA-N 359.351 4.706 0 40 FJAB Cc1ccc2c(Nc3cccc(C)c3C)c(C(=O)N3CCCC3)cnc2n1 49004571 TXZIPJTVWDVHCG-UHFFFAOYSA-N 360.461 4.535 0 40 FJAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2C(F)(F)F)c1 55902020 VIZBHYMUXCIHPD-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB Cc1noc(C)c1[C@H](C)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 58427551 GIBRLBXWWHDDIE-AWEZNQCLSA-N 350.418 4.850 0 40 FJAB CC(C)(C)CN1CCOC[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 67898589 YERRXHHERJHNGX-INIZCTEOSA-N 367.415 4.515 0 40 FJAB biogenic,in-vitro Cc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)cc1 72229060 VZCHFSQRYIVTAR-CQSZACIVSA-N 357.885 4.862 0 40 FJAB COc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 72348808 XPGFEMDKXVPLKT-HXUWFJFHSA-N 359.473 4.532 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(C(C)C)cc1 219329601 BXTXFPYHKLETTM-OAQYLSRUSA-N 357.469 4.856 0 40 FJAB COc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1Cl 219852978 YWMLRWPNUAFQCC-UHFFFAOYSA-N 358.869 4.512 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(C)C 223668774 CMOPOPOEZIIOLN-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1C 225181173 KZKUNUGFWLMQQF-UTKZUKDTSA-N 351.490 4.909 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cc(C)cc(C)c1)CC(C)(C)O2 225680872 HAUNTYQCYUJCIO-SFHVURJKSA-N 370.518 4.901 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)c2ccccc2O1 225810584 CGQOANFHXBWJCH-FXAWDEMLSA-N 367.489 4.961 0 40 FJAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C(F)(F)F 225818294 JEHPJULOIGYRTB-KRWDZBQOSA-N 361.404 4.884 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)CSc1ccc(F)cc1 575622197 XRCFUHPXCBRATD-CYBMUJFWSA-N 359.491 4.880 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc2ccccc2c1 1191698162 VRDIFRWEHOKGAC-UHFFFAOYSA-N 355.459 4.773 0 40 FJAB CCc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1CC 1653530415 JMSKZELFHTVSIS-OAHLLOKOSA-N 371.502 4.939 0 40 FJAB O=C(Nc1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 1090857 OQPZMXPRYLGFDJ-UHFFFAOYSA-N 352.231 4.953 0 40 FJAB O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1ccccc1 1400783 UWSFYFPTVLNWGW-UHFFFAOYSA-N 373.481 4.967 0 40 FJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 1948817 HWFMUJAEDCZIEU-UHFFFAOYSA-N 361.441 4.933 0 40 FJAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1 2419508 NUVAVMVJCTYMPS-QGZVFWFLSA-N 361.445 4.718 0 40 FJAB CCCCCC(=O)n1nc2c(c1-c1ccc(OC)cc1)C(=O)c1ccccc1-2 2539537 MDQHGUMEPKGYGK-UHFFFAOYSA-N 374.440 4.991 0 40 FJAB Cc1cccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)c1 2694362 ROIRPOAYHXMYFE-UHFFFAOYSA-N 357.461 4.633 0 40 FJAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC(C)(C)C 2889804 HJXDRRBUNJASBT-UHFFFAOYSA-N 361.463 4.585 0 40 FJAB COc1ccc(-c2cc(Nc3ccccc3N)n(-c3ccccc3)n2)cc1 3336101 LOMVIBGDACMVSG-UHFFFAOYSA-N 356.429 4.874 0 40 FJAB Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OC(=O)N(C)C 4586173 MECNNLAODLMFEI-UHFFFAOYSA-N 363.369 4.575 0 40 FJAB biogenic O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCc1ccccc1-2 5192298 MKWIFYUDYIEFJX-UHFFFAOYSA-N 370.474 4.779 0 40 FJAB CC(C)CN(C(=O)COc1ccccc1F)c1nc2ccccc2s1 5559107 WOQVLJQUMIWGRM-UHFFFAOYSA-N 358.438 4.503 0 40 FJAB CCc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)s1 6650776 CJKBWSRUFXNIHS-UHFFFAOYSA-N 373.865 4.585 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3F)s2)cs1 7821747 CVPAOXVLZBAMJA-UHFFFAOYSA-N 366.870 4.903 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccnc1 7987128 QVOQNLLEVZFPLM-HNNXBMFYSA-N 371.415 4.927 0 40 FJAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cs1 8303213 XQCITQALCOLZJS-ZDUSSCGKSA-N 370.449 4.661 0 40 FJAB COc1cc(CNC2CC2)ccc1OCc1ccc(Cl)cc1Cl 8471637 VDMZYXNNTHYETL-UHFFFAOYSA-N 352.261 4.833 0 40 FJAB CN(Cc1ccccc1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11257292 WLDOTRUWXNCHQQ-UHFFFAOYSA-N 369.424 4.676 0 40 FJAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1c(F)cccc1Cl)O2 11866503 VHGNNCWKRSKVRL-OAHLLOKOSA-N 372.779 4.909 0 40 FJAB Cc1c(C(=O)Nc2ccnn2Cc2cccs2)oc2ccc(Cl)cc12 12408803 JIAGEOKDTUVKJF-UHFFFAOYSA-N 371.849 4.953 0 40 FJAB CCc1nnc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1 12917044 VFYHELNTVJIQJN-UHFFFAOYSA-N 358.492 4.600 0 40 FJAB CSc1ccc(CS[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 12977921 UYDKDWBCRBDAON-CQSZACIVSA-N 359.516 4.872 0 40 FJAB C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 13019433 JCFGCIYPISFCRI-SCLBCKFNSA-N 358.279 4.746 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(NC(=O)C2CC2)s1 14350400 RNMBHCQYGXATAA-UHFFFAOYSA-N 374.465 4.920 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14399351 NJOCBCFFUDVCLE-QZTJIDSGSA-N 353.506 4.889 0 40 FJAB CCCCCc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 14481671 LMDAHWGAPDLFEE-SFHVURJKSA-N 354.425 4.623 0 40 FJAB CCOc1ccc(C(=O)N(CC)C2C3CC4CC(C3)CC2C4)cc1OCC 16778713 YBOKNHASJSZVRO-UHFFFAOYSA-N 371.521 4.771 0 40 FJAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2cccnc2)C1 19863937 LJVZFRYIUPBNMB-UHFFFAOYSA-N 372.424 4.844 0 40 FJAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1C(C)C 20033766 VMOWCPLHYREALK-UHFFFAOYSA-N 358.294 4.703 0 40 FJAB CC(=O)c1c(C)cc(C)c(CN(C)CC(=O)Nc2c(C)cccc2C)c1C 31114964 YWHWTRJDHCHSOZ-UHFFFAOYSA-N 366.505 4.502 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OCc1ccncc1 32062852 IEXHZQONIRHGSY-UHFFFAOYSA-N 356.784 4.705 0 40 FJAB Cc1[nH]c2ccc(C(=O)Nc3cccc(-n4cc[nH]c4=S)c3)cc2c1C 40087134 UIFHYLPFHBHPNZ-UHFFFAOYSA-N 362.458 4.885 0 40 FJAB CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl 57315201 ZZAKGIGXAKDMEJ-LBPRGKRZSA-N 367.276 4.681 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 58405499 CBACTMOEJFWDGK-NHCUHLMSSA-N 352.453 4.948 0 40 FJAB O=C(CSc1cccc2cccnc12)Nc1cccc(Br)c1 59211420 GTTWHHVYWOLFHN-UHFFFAOYSA-N 373.275 4.728 0 40 FJAB COc1cc2ccccc2c(Br)c1C(=O)N1CCCC[C@@H]1C 59843556 HXLBLQOXWIOHDY-LBPRGKRZSA-N 362.267 4.626 0 40 FJAB CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@@H]1c1cscn1 60523664 AEYMVKJBZDYYKO-QGZVFWFLSA-N 355.850 4.592 0 40 FJAB Cc1c(F)cccc1NC(=S)Nc1ccc(Br)cc1F 71326025 SYITYOYNPCUCFD-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB Nc1cc(Cl)c(NC(=O)c2ccccc2Cl)cc1N1CCCCC1 72229205 WCMIDIHWZAWMDN-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB Cc1c(NC(=O)N2C[C@@H](C)CCC[C@H]2C)cccc1OCC(F)(F)F 72303930 CUWAETZBELVJCZ-QWHCGFSZSA-N 358.404 4.979 0 40 FJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2cccc(Cl)c2s1 79193337 ZBHRYYRXRLYTQJ-GOEBONIOSA-N 362.926 4.549 0 40 FJAB biogenic COc1ccc(Oc2ncccc2NC(=O)c2cc3c(s2)CCC3)cc1 89453836 RUKYICVJBPODSQ-UHFFFAOYSA-N 366.442 4.685 0 40 FJAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(F)cc1 106688980 UWUMHKLAPLTDLT-NVNXTCNLSA-N 365.788 4.855 0 40 FJAB C[Si](C)(C)CCOC(=O)CCC(=O)c1c[nH]c2ccc(Cl)cc12 195974097 DQWOQZQOSNHULS-UHFFFAOYSA-N 351.906 4.666 0 40 FJAB CCN(CC)CCCN(c1ccccc1)[C@H]1Cc2ccccc2[C@H]1OC 212540778 QQGGXAOUSKREAE-XZOQPEGZSA-N 352.522 4.537 0 40 FJAB O=C(NC1(CCO)CCCCC1)OCC1c2ccccc2-c2ccccc21 217694885 OGSNWSJAHJGNBL-UHFFFAOYSA-N 365.473 4.610 0 40 FJAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCCc4ccccc4)cc3)nc2c1 225260597 DYDUFLYNEYOAOP-UHFFFAOYSA-N 355.441 4.511 0 40 FJAB Cc1ccccc1NCc1cc(Br)c(O)c(Br)c1 225640617 KZSOJWUHWFWYST-UHFFFAOYSA-N 371.072 4.838 0 40 FJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CC[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@@]21C 257349003 KTDCVTGLYJBIFI-OKYMEDOASA-N 358.522 4.920 0 40 FJAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408830831 PXFUYTYYDUCDRI-UHFFFAOYSA-N 366.244 4.994 0 40 FJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)c1 408998035 QASDTNYQZGPLSB-BDTNDASRSA-N 371.436 4.864 0 40 FJAB CCn1c(C)nnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 522477832 YUVKDEYDOQTCRV-AWEZNQCLSA-N 366.490 4.712 0 40 FJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccccc4C)cc3cc21 575473023 YMYJFKHTPVVDTJ-UHFFFAOYSA-N 373.452 4.964 0 40 FJAB Cc1ccn2c(NC(=O)c3c(F)cccc3F)c(-c3ccccc3)nc2c1 1888986378 CVXBCNHKLBBRKQ-UHFFFAOYSA-N 363.367 4.840 0 40 FJAB O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 711445 UOEWPALVHAZPFO-UHFFFAOYSA-N 364.832 4.522 0 40 FJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C)cc2c1 887562 UAMJLTYMWWOUEK-UHFFFAOYSA-N 370.449 4.812 0 40 FJAB CC(C)c1nc2sc3c(SCCN(C)C)ncnc3c2c2c1CCC2 2221994 LMJNIHKESOOYQM-UHFFFAOYSA-N 372.563 4.505 0 40 FJAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cnccn2)cc1 2331867 NIKPLZYXVPXDNR-UHFFFAOYSA-N 373.485 4.633 0 40 FJAB C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CCCc2ccccc21 3415676 MIEISRUUBZNCCM-XJKSGUPXSA-N 368.527 4.971 0 40 FJAB Cc1ccc(C)c(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)c1 4479496 GEZNCIRNPQEYPF-MDZDMXLPSA-N 353.809 4.659 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 4520010 AMRZZSRIOACHGK-GFCCVEGCSA-N 354.302 4.932 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1c1ccc(O)cc1 4575215 FEAARBLYDZHHIN-LJQANCHMSA-N 350.805 4.817 0 40 FJAB CC(C)c1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6346530 CHNNEVZUTYGTHH-GOSISDBHSA-N 357.450 4.756 0 40 FJAB CCOc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 7223062 VXOPYNQDGVAIAQ-NSHDSACASA-N 353.249 4.831 0 40 FJAB COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 8115873 XQRVQMVKPHOHRY-PZROIBLQSA-N 355.821 4.873 0 40 FJAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(Br)cc1 8762559 XZUHDTWWDQWKDP-SNVBAGLBSA-N 361.264 4.550 0 40 FJAB CCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 9141372 MFDIIKQURCYANB-UHFFFAOYSA-N 356.429 4.544 0 40 FJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)C)c(C)c1 9462434 CWGPQUZYUBSFBN-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)N[C@H]1CCCc2ccccc21 10962166 JJMSOZOVTSVMJK-QRWLVFNGSA-N 362.498 4.909 0 40 FJAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 14124097 CHCOUQYTGBQIAK-LBPRGKRZSA-N 353.340 4.510 0 40 FJAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccccc1OC(F)F 18594297 RMUMNPBYMJIIHF-SECBINFHSA-N 359.344 4.686 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Br)cc1 20037367 LTTYEYSBLWMLGL-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB O=C(NC(=S)Nc1cccc(F)c1)c1cccc2c(Cl)cccc12 21596292 XZRWCJLXHYVMBV-UHFFFAOYSA-N 358.825 4.759 0 40 FJAB Oc1ccc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)cc1 22010204 OTCFXRHAPDXTPU-UHFFFAOYSA-N 358.894 4.583 0 40 FJAB Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1 27587706 MMKLXJFGDUPBEF-SFHVURJKSA-N 369.468 4.884 0 40 FJAB COc1ccc(C)cc1NC(=O)C(C)(C)c1ccc(Br)cc1 27643565 WOFRGKNTKZBFPT-UHFFFAOYSA-N 362.267 4.682 0 40 FJAB Cc1cc2oc(C(=O)Nc3cccc4cccnc34)cc(=O)c2cc1Cl 32623267 ZLUZHSFSOOLCGI-UHFFFAOYSA-N 364.788 4.555 0 40 FJAB CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3OC)oc12 32751232 PFBDWZKGIHIZJJ-ZDUSSCGKSA-N 354.406 4.723 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)O)[C@@]4(C)CC[C@@H]32)C1 36434337 KXWWWRVUYQUXMN-ZLTRAVGQSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 36446878 KYAVDHQOFHWPNM-FQEVSTJZSA-N 368.527 4.704 0 40 FJAB C[C@H](SCc1cccc(Br)c1)C(=O)Nc1ccccc1F 36701211 HHEZIOSAAUUZGM-NSHDSACASA-N 368.271 4.849 0 40 FJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCC[C@@H]2CCCC[C@@H]21 40130498 YRQXCKIPKKXNRH-YJBOKZPZSA-N 357.425 4.793 0 40 FJAB Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br 40297369 DJKIYSDNXXHUEY-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB COC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 46524223 IQBYGHGCGPCXQF-UHFFFAOYSA-N 374.396 4.741 0 40 FJAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](C)c1ccccn1 48362881 HXSCVVRRJQZZOM-GHMZBOCLSA-N 355.290 4.746 0 40 FJAB Cc1nc(C)c([C@@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)s1 56021638 LRQKQYZHPUHUNB-CYBMUJFWSA-N 364.470 4.875 0 40 FJAB C[C@H](NC(=O)CCOCC(F)(F)F)c1ccc(Oc2ccccc2)cc1 72065734 HJNOFIRRXFPVOO-AWEZNQCLSA-N 367.367 4.625 0 40 FJAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)CC2CCCC2)n1 72372554 RDHIOVSYISYHFB-FQEVSTJZSA-N 364.493 4.772 0 40 FJAB C[C@H]1CN(C(=O)C[C@H]2C=CCC2)c2ccccc2N(C(=O)OC(C)(C)C)C1 75091906 SVKVKDBFPTWAEK-IRXDYDNUSA-N 370.493 4.767 0 40 FJAB COC(=O)CN1C(c2ccccc2)=Nc2ccccc2[C@@H]1c1ccc(C)cc1 97165867 QWCCDSBCJMQFEO-QHCPKHFHSA-N 370.452 4.651 0 40 FJAB COC(=O)c1ccccc1N/C=C/c1ncc(C(F)(F)F)cc1Cl 100278057 UXHKSQHXTPPNFA-VOTSOKGWSA-N 356.731 4.623 0 40 FJAB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2O)ccc1O 100953441 MAAUZDCQGKCSJN-UHFFFAOYSA-N 358.397 4.836 0 40 FJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3ccco3)on2)CCS1 207002661 BLOCXNAOIHLUAK-IBGZPJMESA-N 368.458 4.563 0 40 FJAB O=C(CCc1cccc2ccccc12)Nc1ccc(N2CCCC2=O)cc1 222676372 HGGUDHJRSDRMCO-UHFFFAOYSA-N 358.441 4.538 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)NC(c1ccccc1)c1ccccc1 222690744 PBZJPMIQOMBTQL-UHFFFAOYSA-N 371.480 4.850 0 40 FJAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222957147 NTUBZZYOHZABTP-QGZVFWFLSA-N 351.490 4.945 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227965 ZLVLXDAAPPDQMA-XOBRGWDASA-N 357.881 4.864 0 40 FJAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 225317688 ULOMLQAEDOGXIM-XMMPIXPASA-N 359.469 4.842 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 225535041 MLRCSNOCZVBWFI-KRWDZBQOSA-N 367.474 4.564 0 40 FJAB CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1 408527731 HGYPJJCKQUDHPB-UHFFFAOYSA-N 350.393 4.799 0 40 FJAB O=C(c1cccc([C@H]2CCOC2)c1)N1CC2(CCCC2)c2c(F)cccc21 534873118 DLCZTNACQJSRDJ-SFHVURJKSA-N 365.448 4.802 0 40 FJAB CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1 903501 UFFVGSGZZVEMQE-UHFFFAOYSA-N 359.882 4.823 0 40 FJAB O=C(/C=C/c1ccccc1)Oc1cccc(OC(=O)/C=C/c2ccccc2)c1 1884056 AFQWLMMMNSMMTQ-YXLFCKQPSA-N 370.404 4.924 0 40 FJAB biogenic CCN(CC)c1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1914114 QTFSWLQQUMRYPW-UHFFFAOYSA-N 354.494 4.947 0 40 FJAB CCCn1nc(NC(=O)c2cccc(C)c2)c2cc3cc(C)ccc3nc21 2420528 BPRKIIHNLJRIKK-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB COCCn1c(C)cc(-c2csc(NCc3ccc(C)cc3)n2)c1C 2642481 LCZWSQKPECJRGL-UHFFFAOYSA-N 355.507 4.795 0 40 FJAB CCCC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078215 QSRWDWKFXTXZAO-UHFFFAOYSA-N 361.414 4.588 0 40 FJAB Clc1ccc(-c2nn3c(-c4cccs4)nnc3s2)c(Cl)c1 4769874 CPQNRZZPVCIJNO-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1)c1ccccc1Cl 4887808 VUPCTFKVXKFIJF-ZNXRZULTSA-N 360.929 4.788 0 40 FJAB COc1cc2[nH]c(=S)nc(NCc3ccc(Cl)cc3)c2cc1OC 4919002 YDSSPSDIPKDGQN-UHFFFAOYSA-N 361.854 4.575 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OCc1ccccc1 4932957 QYDVWUXLGZEVRP-UHFFFAOYSA-N 370.452 4.719 0 40 FJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](CO)[C@@H](C(C)C)C[C@H]3CC[C@@H]12 5084828 RIFVPADJXHOIQV-VGYLXGSLSA-N 350.543 4.673 0 40 FJAB CCCCC(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 5859587 OFJPTJPSHBTXRT-UHFFFAOYSA-N 369.515 4.967 0 40 FJAB O=C(COc1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6218306 AVHRUMJDGYUQBX-UHFFFAOYSA-N 366.398 4.681 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Oc1ccc(Br)cc1Cl 6303447 KERAOAPHBRQVFB-FPYGCLRLSA-N 355.590 4.860 0 40 FJAB CC(C)COc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 6598274 OIDQSUBGPSDWKP-UHFFFAOYSA-N 362.425 4.914 0 40 FJAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2C[C@@H]2C)c2ccccc2)cc1Cl 6639684 OUKYUAKZYAHJAS-QANKJYHBSA-N 357.837 4.527 0 40 FJAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1 6811707 KGLLCRHKSMQDMA-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1 6978524 FTGSTDVZKFQLGD-GOSISDBHSA-N 357.240 4.908 0 40 FJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)o2)c2ccccc2)cc1 7288822 KGOXQZQDNMKICY-KRWDZBQOSA-N 365.458 4.728 0 40 FJAB O=C(COc1cc(Cl)ccc1Cl)N1CC=C(c2ccccc2)CC1 7481346 VLKAGIUIUXCCQV-UHFFFAOYSA-N 362.256 4.688 0 40 FJAB CN(CCO)c1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 7813895 XTUROJWEOCNEJO-UHFFFAOYSA-N 367.499 4.515 0 40 FJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)c(F)c2)c(C)s1 7844928 NQEOKGTVLLJPGB-UHFFFAOYSA-N 358.413 4.886 0 40 FJAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 9107241 AVSOZGJNDGMHSY-UHFFFAOYSA-N 358.441 4.781 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 9164791 AJAXHZYPBRZLDN-UHFFFAOYSA-N 370.880 4.918 0 40 FJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc2cc[nH]c2c1 12297008 QHFCNWBIRQCCPU-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccc(Cl)cc1F 12778587 ZLQYESZTGRJISR-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(F)cc3F)cc2)n1 12789861 PZRGLOBYFHKRBT-UHFFFAOYSA-N 371.412 4.775 0 40 FJAB Cc1csc(N(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)n1 12934467 KVWVGVJXKFMTIU-QGZVFWFLSA-N 370.861 4.773 0 40 FJAB C[C@H]1CCN(C(=O)CN[C@H](C)c2ccc(Cl)cc2)c2ccccc2S1 13040191 ZCGIWGLKICHLQU-LSDHHAIUSA-N 374.937 4.908 0 40 FJAB Cc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5C)c4ncn3n2)cc1 15842219 NXBIAZXMXIGKBF-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20454442 NDKYIGLQJXSZSZ-NHCUHLMSSA-N 355.478 4.737 0 40 FJAB Cc1cc(C(=O)Nc2ccc(C)c(C)c2)c2c(C)nn(-c3ccccc3)c2n1 20578939 MDIQMUAJTJNJMR-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2cc(C)ccc21 22234645 WXXLLIXAAXJEJP-UHFFFAOYSA-N 374.362 4.601 0 40 FJAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 27692069 VSZTZBOIPCHDCL-AWEZNQCLSA-N 354.837 4.805 0 40 FJAB Cc1ccc(Cn2ccc(NC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 27929564 ISYFUOAGLJLTAQ-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB C[C@H]1CCCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)C1 29511117 YFFGTHYTDJAJJU-HNNXBMFYSA-N 366.486 4.992 0 40 FJAB Cc1nnc(SCc2cc(Cl)c3c(c2)OCO3)n1C1CCCCC1 36625875 RNXCQXUMUVKAHC-UHFFFAOYSA-N 365.886 4.766 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 36705373 ONENVGAZUUYRKT-UHFFFAOYSA-N 363.348 4.828 0 40 FJAB CCOc1ccc(Nc2cc(C(=O)OC)nc3ccc(OCC)cc23)cc1 38487340 DXNOHJRNWXMJDF-UHFFFAOYSA-N 366.417 4.562 0 40 FJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(Br)c1 40087136 UKOPVLZIYLRMGL-UHFFFAOYSA-N 374.263 4.550 0 40 FJAB CCC(CC)c1nnc(NC(=O)N2CCC[C@@H]2c2ccsc2)s1 45982222 RDTLJMRRWXQLNN-CYBMUJFWSA-N 350.513 4.872 0 40 FJAB O=C(CC[C@@H]1CCCO1)N[C@H](CCCc1ccccc1)c1ccccc1 69924720 VWMAEZURCZCFOI-FCHUYYIVSA-N 351.490 4.826 0 40 FJAB Clc1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193789 JGJZBQCLHATERO-UHFFFAOYSA-N 352.806 4.919 0 40 FJAB COc1ccc(/C=C(/C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 216336406 KFILTMDFTGSAPJ-PXLXIMEGSA-N 361.416 4.691 0 40 FJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)S1 222635778 STSFVOACQFGUQJ-YSSFQJQWSA-N 366.534 4.978 0 40 FJAB O=S(=O)(Cc1ccccc1F)Nc1ccc2c(c1)oc1ccccc12 224183063 BRQJCFWTTIXYPN-UHFFFAOYSA-N 355.390 4.667 0 40 FJAB CCOc1ccccc1NC(=S)NCCCSC1CCCCC1 225589906 SLKJNWOEBYYGCI-UHFFFAOYSA-N 352.569 4.828 0 40 FJAB O=C(N1CCc2sc(Cl)cc2C1)C1(c2cccs2)CCCC1 575616547 PKWYXYATBXDYFO-UHFFFAOYSA-N 351.924 4.860 0 40 FJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(CC2CCCCC2)CC3)cc1 585100184 HHJRNKLPNPAJOT-XMMPIXPASA-N 368.565 4.922 0 40 FJAB COc1cccc(C[C@@]2(C(=O)NC[C@H]3CCCC3(C)C)C[C@H]3CC[C@H]2C3)c1 1129290186 UOSNFNLREJKUHX-PWSZPPJVSA-N 369.549 4.987 0 40 FJAB CCC(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 1629363131 GAIMSOGUMFEDKG-UHFFFAOYSA-N 369.424 4.871 0 40 FJAB Cc1cc(OCC(=O)Nc2ccccc2C(C)C)ccc1Br 850427 VEOKYWFFHGQEGH-UHFFFAOYSA-N 362.267 4.898 0 40 FJAB CCc1ccc(OCCCC(=O)Nc2ccc(Br)cc2)cc1 1775891 UFJPITZUEALZIR-UHFFFAOYSA-N 362.267 4.809 0 40 FJAB Cc1csc(NC(=O)c2oc3ccc(Br)cc3c2C)n1 2653913 CVZIDGMXSCGILL-UHFFFAOYSA-N 351.225 4.521 0 40 FJAB O=C(CSc1nncn1-c1ccccc1)c1ccc(Cl)cc1Cl 3350861 NWOGQIMSMDWKFG-UHFFFAOYSA-N 364.257 4.549 0 40 FJAB CCCc1nc2sc3c(OC(C)C)ncnc3c2c2c1COC(C)(C)C2 4370265 WVRYVIPDZYTMMZ-UHFFFAOYSA-N 371.506 4.831 0 40 FJAB O=C(CCC(=O)c1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 4475736 YJCFKOXGIOPIGH-UHFFFAOYSA-N 362.454 4.510 0 40 FJAB CC[C@H](C)n1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 4702380 AZSVBKDIYZEFNB-SJPXOZHESA-N 359.429 4.710 0 40 FJAB CCCOc1ccccc1Nc1c(C(=O)OCC)cnc2ccccc12 5655753 JYKHRHHDFPFUJZ-UHFFFAOYSA-N 350.418 4.944 0 40 FJAB Cc1ccc(C)c(-n2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)c1 6016950 YHECMOAYTVWLPY-LLVKDONJSA-N 356.516 4.851 0 40 FJAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1 7055923 JNTOXZZRFKKQRM-UHFFFAOYSA-N 366.467 4.764 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 9232761 WKTYRTOHGHGQQB-MRXNPFEDSA-N 370.880 4.763 0 40 FJAB Cc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c(Br)c1 11457533 WQYXUARPDYMCTJ-INIZCTEOSA-N 362.292 4.721 0 40 FJAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)c(C)cc1NC(=O)[C@@H]1CC=CCC1 12788248 RVNYHHGXYLKYJB-QZTJIDSGSA-N 352.478 4.893 0 40 FJAB CCCN(CC1CC1)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 12794757 WSRJFUHOJNIODW-UHFFFAOYSA-N 367.518 4.717 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccccc3Cl)o2)cc1C 12901184 MMGHMZUJTYGHIC-UHFFFAOYSA-N 368.864 4.861 0 40 FJAB Cc1ccc2nc(NC(=O)CSc3cc(F)ccc3F)sc2c1 12937793 QFBHGLDOYTXHDQ-UHFFFAOYSA-N 350.415 4.614 0 40 FJAB O=C(Nc1ccccc1N1CCCC1=O)C(c1ccccc1)c1ccccc1 13006479 NPXWFKIVYMTJJO-UHFFFAOYSA-N 370.452 4.584 0 40 FJAB Cc1ccc2[nH]c(SCC(=O)c3ccc(Br)cc3)nc2c1 13098638 RPIHXNWBHOCSPI-UHFFFAOYSA-N 361.264 4.609 0 40 FJAB COC[C@@H](C)n1c(-c2ccccc2F)cs/c1=N\c1ccccc1F 13209460 KHLZIABCVVMTPJ-AIZVWQMJSA-N 360.429 4.935 0 40 FJAB CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12 15840858 NTIPJUULYXLWID-UHFFFAOYSA-N 364.445 4.774 0 40 FJAB Clc1ccc(COc2ccccc2CNC[C@H]2CCCO2)c(Cl)c1 16449642 GTSGGSPWRRWKPS-QGZVFWFLSA-N 366.288 4.841 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 20050733 XQVHQMBYHBGVFG-RXVVDRJESA-N 369.505 4.983 0 40 FJAB Cc1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20460493 ZVXSZKONDRPBEI-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB C[C@]1(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1(Cl)Cl 23042325 NCBSALSPYGDOAZ-DZGCQCFKSA-N 358.265 4.677 0 40 FJAB O=C(CCOc1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 24384244 LITGPMDSSLUNMA-GOSISDBHSA-N 366.486 4.819 0 40 FJAB C[C@H](NC(=O)CNc1cc(F)ccc1F)c1ccc(Cl)c(Cl)c1 25894657 OFHZZADPCCOHNL-VIFPVBQESA-N 359.203 4.561 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 27975320 SZOYYKZXPKAFLX-NSHDSACASA-N 350.245 4.888 0 40 FJAB CCc1c(C(=O)Nc2ccc(C(C)=O)cc2)cnn1-c1cccc(Cl)c1 32796694 FMPAGBORNPRMMB-UHFFFAOYSA-N 367.836 4.543 0 40 FJAB Brc1cc(CSc2nnc(-c3ccccc3)o2)cs1 32912836 VHMIIGYVFXDQOM-UHFFFAOYSA-N 353.266 4.853 0 40 FJAB Cc1cccn2cc(CSc3nnc(NC4CCCCC4)s3)nc12 36725147 YLIZHGVFGKMUQJ-UHFFFAOYSA-N 359.524 4.531 0 40 FJAB COc1cc(OC)c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1Cl 43413966 IDLIRZFRKKIQFP-SECBINFHSA-N 370.783 4.518 0 40 FJAB COc1ccc2oc(C)c(C(=O)N(Cc3ccccc3F)C3CC3)c2c1 48276834 SBZQELRKVFNSRY-UHFFFAOYSA-N 353.393 4.694 0 40 FJAB O=C(Nc1cccc2c1CCCC2)c1cc(Br)cnc1Cl 50044437 KLWZZAKHABAYKL-UHFFFAOYSA-N 365.658 4.629 0 40 FJAB Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCC4)nc3)c2c1 76094068 ITIBCZVXWWXEFO-UHFFFAOYSA-N 372.472 4.668 0 40 FJAB CC(C)(C)c1ncc(NC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cn1 89725329 BPFUFUJMEGFZPD-VGSWGCGISA-N 364.493 4.707 0 40 FJAB O=C(Nc1nc(-c2c(F)cccc2F)co1)[C@H]1SCCc2ccccc21 95965068 XTSMYMIYUGAQGI-KRWDZBQOSA-N 372.396 4.589 0 40 FJAB O=C(c1cc(-c2ccnn2C2CCCC2)n2ccccc12)N1CCCCC1 96154792 RKBRAKGRIZDQBJ-UHFFFAOYSA-N 362.477 4.544 0 40 FJAB C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@H]1C[C@@H]2CC[C@@H]1C2 102846320 HXFYSWZNANTAMI-DEXNDLTESA-N 357.425 4.552 0 40 FJAB C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 103150781 HXFYSWZNANTAMI-XLPNERPQSA-N 357.425 4.552 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 219736483 SNPCHFNNPDMYRI-UHFFFAOYSA-N 355.434 4.683 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Br 222626286 XXXOSYHCVQBQAY-CYBMUJFWSA-N 374.278 4.734 0 40 FJAB C[C@H](NC(=S)Nc1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1)c1ccccc1 223957985 HOJNKTXBTJJAMJ-ZACQAIPSSA-N 368.550 4.612 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2O1 224676962 BLJVTAYJCQFQPJ-BEFAXECRSA-N 371.452 4.792 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225382063 VTZFNNMREJGTGS-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1 225751925 WOKFXJAQRQYHNV-FQEVSTJZSA-N 359.897 4.939 0 40 FJAB CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1[C@H](C)O 257350309 WESDBOJFPODCAU-MFFNMLEPSA-N 362.554 4.958 0 40 FJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccccc1C(F)(F)F 618255943 CACDWQYDWQNWQQ-CQSZACIVSA-N 365.376 4.922 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN3c3ncnc4sc(C)c(C)c34)[nH]c2c1 675112798 WCBXVNYZLACJDL-INIZCTEOSA-N 363.490 4.834 0 40 FJAB CCc1cc(N)nc(SCCCCOc2cccc(C(F)(F)F)c2)n1 1651955781 HFXMUMDQOGRCGZ-UHFFFAOYSA-N 371.428 4.591 0 40 FJAB Cc1ccc(S(=O)(=O)N=S(c2ccccc2)c2ccccc2)cc1 639412 GXSXNBCXDQGJBB-UHFFFAOYSA-N 355.484 4.604 0 40 FJAB CC(C)c1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1 646415 KBIRDAFXOMFLOU-UHFFFAOYSA-N 359.495 4.727 0 40 FJAB CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5Cl)nc4c23)CO1 2437806 VUAAZBZHNOOVEI-UHFFFAOYSA-N 370.865 4.511 0 40 FJAB Clc1ncn(CCCCCCn2cnc(Cl)c2Cl)c1Cl 2566995 SVENCIQOSOBOHM-UHFFFAOYSA-N 356.084 4.954 0 40 FJAB Brc1ccc(OCCOc2ccc(Br)cc2)cc1 2583902 FANDKBOZYRTMBW-UHFFFAOYSA-N 372.056 4.669 0 40 FJAB in-vitro CCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 2739717 ZIRSOIPXOFEEOG-UHFFFAOYSA-N 360.442 4.568 0 40 FJAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(Cl)cc2)o1 2768910 DJSWPQOUQKAWMI-UHFFFAOYSA-N 358.777 4.740 0 40 FJAB Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCC(C)CC3)c2c1C 3327121 GDYPLXDNLJPMIJ-UHFFFAOYSA-N 372.582 4.776 0 40 FJAB Cc1sc2nc([C@@H](C)Sc3nc4ccccc4o3)[nH]c(=O)c2c1C 4830216 IERJVBJUDSJNLG-SNVBAGLBSA-N 357.460 4.596 0 40 FJAB O=C(NCCSc1c[nH]c2ccccc12)Nc1c[nH]c2ccccc12 5299915 YUMKRDUTNQOKCA-UHFFFAOYSA-N 350.447 4.563 0 40 FJAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 6026834 FGNTYLVRIRQCAI-UHFFFAOYSA-N 372.896 4.910 0 40 FJAB C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 6414852 AWHTUHGCVZJGQX-KRWDZBQOSA-N 366.505 4.805 0 40 FJAB Cc1cc(OCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1Cl 8314168 PBJNXTUCGWXUDY-CYBMUJFWSA-N 374.893 4.857 0 40 FJAB CCN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2Oc2ccccc21 9134606 QQKIWQUWZDEOFG-UHFFFAOYSA-N 350.418 4.588 0 40 FJAB CC(C)Cc1ccc([C@H](C)c2nn3c(C(F)(F)F)nnc3s2)cc1 9531586 PWFHTNBQNDZJDL-JTQLQIEISA-N 354.401 4.555 0 40 FJAB O=C(COc1ccc(F)cc1)Nc1ccc(SCc2cccnc2)cc1 11596514 ICPAFVLTGOKPKO-UHFFFAOYSA-N 368.433 4.531 0 40 FJAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1Cl 12521965 CRLHRSRTPRCPDU-UHFFFAOYSA-N 354.793 4.545 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)s2)cs1 12615186 YKPUJAVOGTVETK-UHFFFAOYSA-N 367.499 4.520 0 40 FJAB Cc1cccc(CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 12633835 RTZCEQSVIKCOMJ-AWEZNQCLSA-N 351.479 4.500 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 12806304 UAXIXTPIUOAXCX-UHFFFAOYSA-N 366.244 4.994 0 40 FJAB COc1ccc([C@H](CNC(=O)CC(C)(C)C)c2c[nH]c3ccccc23)cc1 12807454 AKJWUOQPIRMZLX-IBGZPJMESA-N 364.489 4.861 0 40 FJAB O=C(c1ccc(O)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 12913947 LKYSNCHPEAGGPW-UHFFFAOYSA-N 364.272 4.794 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCc2ccccc21 13002452 LBACFDDOHCKZRL-UHFFFAOYSA-N 364.470 4.787 0 40 FJAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 13726863 XESUJSDGZRAQBW-UHFFFAOYSA-N 369.852 4.624 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 14110005 OJCGRTOFTBNZNG-UHFFFAOYSA-N 352.478 4.714 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 15350799 HSFASDQVEUBPIM-UHFFFAOYSA-N 366.642 4.704 0 40 FJAB CCc1cccc(CC)c1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 16706401 AHANPJZFEHCSAR-UHFFFAOYSA-N 373.880 4.807 0 40 FJAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 17334140 WSEHAHZKEMYRNY-UHFFFAOYSA-N 353.425 4.569 0 40 FJAB Cn1cc(CN[C@@H](Cc2ccsc2)c2nccs2)c2cc(F)ccc21 19290351 JLBFFVUEWGFROJ-KRWDZBQOSA-N 371.506 4.909 0 40 FJAB O=C(N1CCN(Cc2ccccc2)CC1)N(c1ccccc1)c1ccccc1 19682987 QGBWUZKOTTYRRA-UHFFFAOYSA-N 371.484 4.763 0 40 FJAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1cccc2ccccc12 20611359 IYPUVCHKPLDXKV-UHFFFAOYSA-N 360.442 4.503 0 40 FJAB O=C(c1cncc(Br)c1)N(Cc1ccccc1)c1ccccc1 21195537 SUOQGYMWOHIPRT-UHFFFAOYSA-N 367.246 4.691 0 40 FJAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccc(C)c3)on2)cc1 21790944 MGSFATGCQOJEFR-HXUWFJFHSA-N 362.429 4.636 0 40 FJAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2ccc(F)cc2)n1 28305776 ANWBJZFBTVCWMD-UHFFFAOYSA-N 364.207 4.879 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3nc2C)c(C)c1 29281310 XENQDFWKCWTIJD-UHFFFAOYSA-N 351.475 4.594 0 40 FJAB C[C@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)n1cnc2ccccc21 31836208 UMWCYDBJLHZCBA-QRWLVFNGSA-N 361.470 4.565 0 40 FJAB CCc1ccc(N2C(=O)N=C(O)/C(=C/C(C)=C/c3ccccc3)C2=O)cc1 33644360 UGPXAGUJTIDRCP-FQHLDWHWSA-N 360.413 4.702 0 40 FJAB CN(C)CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 34081720 SMSOSHPIISYFQO-UHFFFAOYSA-N 374.528 4.829 0 40 FJAB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1 35040433 GVPUNSGZECSFOW-MHWRWJLKSA-N 373.886 4.948 0 40 FJAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCCCOC(C)C)n2)cc1 36613484 WIWVILJPDJDMIV-UHFFFAOYSA-N 353.388 4.698 0 40 FJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc(N(C)C)cc2)[C@@H]3CCC1 41107722 XIEDSOLYROVZDM-JOCHJYFZSA-N 373.500 4.549 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 44900043 WYGCFNUDAHOIFI-QGZVFWFLSA-N 355.478 4.681 0 40 FJAB Cn1cc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 48288168 HKLFCMPAUDVNTH-UHFFFAOYSA-N 365.433 4.622 0 40 FJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1 49005503 KAGYDXDIAFDLCT-UHFFFAOYSA-N 368.868 4.817 0 40 FJAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 57304213 BKJATEQYZVJEHQ-INIZCTEOSA-N 353.249 4.504 0 40 FJAB O[C@@H](CNc1nc(-c2cccs2)nc2ccccc12)c1ccccc1F 69394565 GWSUANUENSJSAW-KRWDZBQOSA-N 365.433 4.643 0 40 FJAB CCN(C(=O)c1ccc(C)o1)[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 95467829 OUIUMWPAUHRJCR-CQSZACIVSA-N 356.853 4.742 0 40 FJAB CCOc1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193820 FRMMQMVPEVTWAU-UHFFFAOYSA-N 362.414 4.665 0 40 FJAB Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1NC(=O)C1[C@H]2CCCC[C@@H]12 100300123 NWCBYUQVZYGLIH-PROCJTSXSA-N 366.505 4.744 0 40 FJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2c3ccccc3C[C@H]12 104377924 IYWAWLBGIFSDDP-PMOQBDJRSA-N 371.436 4.864 0 40 FJAB O=C(c1ccsc1)c1ccc(CNC(=O)c2ccccc2Cl)s1 211083642 DTHZTUGECSQFLV-UHFFFAOYSA-N 361.875 4.624 0 40 FJAB CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 216853622 QYSFMNWZUCMOPO-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C(C)C)cc1)CC(C)(C)O2 218962634 DADRBTIJEUROTB-HXUWFJFHSA-N 367.489 4.916 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(-c2cccc(F)c2)nc1 222622640 QLRGTFXKCBPZEC-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 222864069 JHOFNWYYQIZUEJ-LEWJYISDSA-N 355.478 4.756 0 40 FJAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223083220 JFTGFCXRXOGYJH-NRFANRHFSA-N 351.490 4.829 0 40 FJAB CCCCCNC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224150940 OZAJSZOXPLNWSP-UHFFFAOYSA-N 361.869 4.848 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1F 224393030 WKNMZGHLGSDYEO-UHFFFAOYSA-N 371.389 4.535 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(OC)cc1 225489971 MYYWLICZFIGBAT-LJQANCHMSA-N 358.507 4.920 0 40 FJAB CNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225494429 JIHMGNNBTAKSLW-UHFFFAOYSA-N 367.836 4.818 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3cc(C)ccn3)CCCC2)cc1 225873438 OUMCELGPPRONKY-UHFFFAOYSA-N 355.507 4.545 0 40 FJAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3F)oc2c1 226283857 ORDXSOQAXAMDKX-UHFFFAOYSA-N 352.287 4.549 0 40 FJAB COc1ccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 409114208 DOQHSFUEXDWHSM-UHFFFAOYSA-N 363.413 4.585 0 40 FJAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 585260824 MWRWDDUGOYJGON-NRFANRHFSA-N 373.460 4.567 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)NCC1(c2ccsc2)CC1 1889148933 REDKGEUHLNIWOD-UHFFFAOYSA-N 351.471 4.762 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c(C)c1 683071 PKBIQNMIYYROTL-GOSISDBHSA-N 373.452 4.940 0 40 FJAB CCCOC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 1915560 UGFSDYZVPFSART-UHFFFAOYSA-N 362.451 4.543 0 40 FJAB CC(C)(C)NC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C(C)(C)C)CC3 2222771 ZRWARPYEKRJCCC-LBPRGKRZSA-N 359.539 4.558 0 40 FJAB CCCCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 2297419 WKMQEBPRDMDCFH-LGMDPLHJSA-N 355.821 4.863 0 40 FJAB Cc1cc2cc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2n1C 4061551 CPQNIVSCIOVJCJ-UHFFFAOYSA-N 370.880 4.614 0 40 FJAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)c1ccccc1 4162867 OCIYTANAKVVIDQ-HXUWFJFHSA-N 363.438 4.733 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1OC 6334062 PCSSOURBPAIQGJ-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB CN(C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21)c1ccccc1 6949502 WTEQCWZXPYNTIV-UHFFFAOYSA-N 374.465 4.597 0 40 FJAB CCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 7262308 FFMQQEUVPFNZBZ-UHFFFAOYSA-N 364.283 4.536 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 7651660 ZLCMCXGIBGAZHC-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB COc1ccc2oc(C(=O)OCCCC(=O)c3ccccc3)c(C)c2c1 7975385 GOXHJPIEPZTKFV-UHFFFAOYSA-N 352.386 4.570 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)NCC(c1ccccc1)c1ccccc1 8324831 NPASPRWABVROJK-UHFFFAOYSA-N 354.453 4.659 0 40 FJAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC 8480506 QBCSQLVHCXAQED-AWEZNQCLSA-N 356.491 4.579 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccc(Cl)cc12 8764953 XZWNRDMELGEOHH-UHFFFAOYSA-N 365.864 4.594 0 40 FJAB biogenic Cc1nc2ccc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)cc2s1 12148291 UMTPNLJWNLODEH-FQEVSTJZSA-N 359.454 4.519 0 40 FJAB Cc1cccc(-c2noc(CN(C(=O)NC3CCCCC3)C(C)(C)C)n2)c1 12655148 JESHIYMRXCMSMB-UHFFFAOYSA-N 370.497 4.688 0 40 FJAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccc(F)c(F)c1F 16090239 JNERBGFLEYXQIS-UHFFFAOYSA-N 364.344 4.539 0 40 FJAB Fc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCC3)cc1 17209592 UITNDLUCARTXSV-UHFFFAOYSA-N 362.255 4.883 0 40 FJAB C[C@H]1c2ccsc2CCN1Cc1ccccc1OCc1cccnc1 19498371 XEOWFFRWHQLOPF-INIZCTEOSA-N 350.487 4.841 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(F)cc1 22527819 RDTZPRLZLBDQAV-QGZVFWFLSA-N 374.459 4.879 0 40 FJAB CC[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1 25213733 WRXSEVNXSQTRSS-OAHLLOKOSA-N 356.319 4.554 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1 28284453 BPXBFDQNCLMHTP-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccc(C(C)C)cc1 30870855 LJZIPQJNZYXMKF-OAQYLSRUSA-N 353.506 4.943 0 40 FJAB Cc1nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2nc1C 32740764 OGTCRONANSMINC-UHFFFAOYSA-N 374.271 4.826 0 40 FJAB CCN(C(=O)CN(C)[C@@H](C)c1nc2ccccc2s1)c1ccccc1C 39536502 KMKGUDVQTTWJQB-INIZCTEOSA-N 367.518 4.651 0 40 FJAB CC(=O)c1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 40032435 OVQSQNODCWNXAG-UHFFFAOYSA-N 361.323 4.570 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C 41077062 IVBRFLBSTKALRF-UHFFFAOYSA-N 363.461 4.589 0 40 FJAB CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCCNC2)c(Br)c1 42774860 UDKDYAHSQWCJOQ-QGZVFWFLSA-N 374.322 4.906 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 44840976 ZYBQOXNIDOQFGB-OAQYLSRUSA-N 363.432 4.889 0 40 FJAB CC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(OC)cc1 44841255 BXCSBVRUNJCMMB-NRFANRHFSA-N 352.478 4.567 0 40 FJAB O=C1NCCCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 48250654 IAMIBGUOAXOMLM-QGZVFWFLSA-N 364.470 4.769 0 40 FJAB O=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1 58381512 MXPUQGPQEZEGHX-SFHVURJKSA-N 367.445 4.768 0 40 FJAB Fc1ccc([C@@H](Cc2ccc(Cl)cc2Cl)NCc2ncc[nH]2)cc1 66594191 ZAPLTWDZAKPNJA-QGZVFWFLSA-N 364.251 4.929 0 40 FJAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2F)c(Cl)cc1N 72229211 CMOFRHLVTAYZOP-GFCCVEGCSA-N 361.848 4.692 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CCc2cn(C(C)C)c3ccccc23)c1 72405585 AFOZPGNHXGLMEO-UHFFFAOYSA-N 363.461 4.752 0 40 FJAB O=C(Nc1ncc(-c2ccccc2)s1)N1CC=C(c2ccc(F)cc2)C1 89851258 RWIDRSXPFQGRGM-UHFFFAOYSA-N 365.433 4.880 0 40 FJAB Cc1nc(COc2ccc(/C=C3/C(=O)N(C)c4ccccc43)cc2)cs1 96891361 COTFFOFWYOYYBK-YBFXNURJSA-N 362.454 4.548 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)C1 105361835 IMYHTICGAHSCKP-WSXQUGQNSA-N 360.885 4.848 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(F)(F)F 132725838 KOUCGLPWUSTYTL-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB Cc1c(-c2ccc(Cl)cc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O 136551437 IFOLFMNCLUJBPP-UHFFFAOYSA-N 362.236 4.898 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1Cl 219743575 PCDJCZUGCILCLC-UHFFFAOYSA-N 361.825 4.556 0 40 FJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222846017 SBICLHRWPNCMGL-WOJBJXKFSA-N 363.486 4.723 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc2ccccc12 222872460 WMNPFNAKUGSWTL-IBGZPJMESA-N 353.849 4.967 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(Cl)cc2)cc1 222891849 QHOPOVOGLDCIOQ-FQEVSTJZSA-N 359.897 4.809 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222949982 OMLOBIKRXAAGHZ-ZHRRBRCNSA-N 367.489 4.609 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 222960295 CVPANAVELPWVQS-VQTJNVASSA-N 370.566 4.853 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc2c1 223335990 JIEPHUXMNFYOCL-UHFFFAOYSA-N 363.438 4.802 0 40 FJAB CCc1ccc(CC(=O)NCCSCc2c(F)cccc2Cl)cc1 224305153 SJPRXEYXNVZIPH-UHFFFAOYSA-N 365.901 4.634 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CCc3ccc(C)c(C)c3)s2)cc1 225287963 LKDVGCFYPFJMAZ-UHFFFAOYSA-N 351.475 4.702 0 40 FJAB CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)s1 225702594 JPGBTEWBMROLCZ-LLVKDONJSA-N 363.788 4.538 0 40 FJAB CCCCc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 225841605 FQMFTSRWUKLNPO-UHFFFAOYSA-N 355.463 4.712 0 40 FJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c1 408649919 AOIFVRLZGVKCHF-FQEVSTJZSA-N 371.436 4.621 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2C)c(OC)c1 408832975 RCUQBYNOBOCVKR-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1csc2ccccc12 618257395 VMKQFVVOMPXWLN-QGZVFWFLSA-N 373.909 4.979 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N(C)C)cc1 898084 JEBZKRZZEQHHAR-UHFFFAOYSA-N 355.825 4.622 0 40 FJAB CC(C)Cc1cc(C(F)(F)F)n(-c2nc(-c3cccc(O)c3)cs2)n1 1415806 ZBAFIHHUDIFBNU-UHFFFAOYSA-N 367.396 4.919 0 40 FJAB COc1cccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)c1 2221561 PLYIPHNGTHHCJK-UHFFFAOYSA-N 370.456 4.946 0 40 FJAB aggregator Cc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 2231722 HWZWEIJTXBVBEQ-UHFFFAOYSA-N 354.866 4.847 0 40 FJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cnccn1 2632278 FZVOSFJDUXXRFB-UHFFFAOYSA-N 358.426 4.519 0 40 FJAB CCCCc1ccc(NC(=O)COc2ncnc3sc(C)c(C)c23)cc1 2652568 GRILNYBFMUBGOA-UHFFFAOYSA-N 369.490 4.668 0 40 FJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)c1 2723101 KKAJLBUJCZPHLX-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)c(C)c1 4167225 GRERUFZTDWSPQX-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 4520013 ZFAGKLJTOWKMOH-UHFFFAOYSA-N 350.443 4.572 0 40 FJAB Cc1ccc([C@H](C)NC(=O)CSc2ccc3ccccc3n2)cc1C 5626725 FZMUFKXYYRRQEW-INIZCTEOSA-N 350.487 4.821 0 40 FJAB O=C(c1ccco1)n1ccc(-c2ccccc2OCc2ccc(F)cc2)n1 5771893 DSZSWDFDYZUQNU-UHFFFAOYSA-N 362.360 4.550 0 40 FJAB Cc1cccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)c1 6628177 YQQUYBUQQPNVNE-UHFFFAOYSA-N 355.445 4.746 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)(C)C)cc3)n2)cc1 7402707 LCBPDBJTVLBMKK-UHFFFAOYSA-N 363.461 4.914 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1C 7987726 WQIGHPPNIKGWDR-QMMMGPOBSA-N 371.239 4.771 0 40 FJAB Cc1ccc2[nH]c(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)nc2c1 8392952 XWHOPSSGTIBBFR-LJQANCHMSA-N 365.502 4.717 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 8556689 CKGNEEWSJBGXLY-UHFFFAOYSA-N 365.260 4.774 0 40 FJAB CCOC(=O)c1c(NC(=S)Nc2ccccc2C)sc2c1CCC2 8691936 LZPGPIQYAOWLOD-UHFFFAOYSA-N 360.504 4.531 0 40 FJAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c1 9281853 NXFMIJNPKAJXCO-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@@H]1c1ccc(Cl)cc1 9355708 GSDJLBFGZVXRGA-QGZVFWFLSA-N 354.841 4.579 0 40 FJAB Cc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)n1-c1ccccc1 10251424 FBXDHXFXHNYBSC-UHFFFAOYSA-N 366.421 4.662 0 40 FJAB Cc1ccc(/C=C/C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 12062941 JJGNBBGWXMNZTA-QYFOZDBKSA-N 369.892 4.869 0 40 FJAB CCc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 12549732 YXXIMSYZWVASNV-UHFFFAOYSA-N 361.470 4.806 0 40 FJAB COc1ccc([C@@H](CNC(=O)[C@H]2CC=CCC2)c2c[nH]c3ccccc23)cc1 12790932 VEYKTZZAZVVCDU-GHTZIAJQSA-N 374.484 4.781 0 40 FJAB O=C(CCOc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14862045 PNRGPZBBRCPGNR-UHFFFAOYSA-N 357.413 4.638 0 40 FJAB COc1ccc2nc(SCc3nc4ccccc4n3C(F)F)[nH]c2c1 14901662 SQQRBLBRUMKGMK-UHFFFAOYSA-N 360.389 4.609 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)Nc2nc3ccccc3s2)s1 15612291 IOIYGNXZJVKMPC-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17112775 ZKLLEWCQGGHPPE-UHFFFAOYSA-N 350.462 4.654 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20145364 CEAZVOMXVQJOBA-PKNBQFBNSA-N 365.360 4.744 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccccc1 22072873 PQDSZTMBHICUOX-UHFFFAOYSA-N 373.334 4.976 0 40 FJAB CCCCN(CC)C(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 22086184 LSXCPCSUEYTVGL-UHFFFAOYSA-N 357.479 4.830 0 40 FJAB Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)sc1C 22090206 QNTIKXQHXFFYAE-UHFFFAOYSA-N 364.430 4.524 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)c2cccc3ccccc23)cc1OC 22974495 DJJZIDVKUMNFLR-MRXNPFEDSA-N 363.457 4.667 0 40 FJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@@H]1C[C@@H]1c1ccccc1 28229389 CSZNQQSXZLZGTP-DHIUTWEWSA-N 367.452 4.827 0 40 FJAB c1ccc(-c2nc(N3CCCCC3)c3nc(-c4ccccc4)oc3n2)cc1 28287714 KWWPWJFXZRPMGJ-UHFFFAOYSA-N 356.429 4.942 0 40 FJAB Cc1ccc(Cn2nccc2NC(=O)Cc2cccc3ccccc23)cc1 28291461 QGHPYJWOYUKINF-UHFFFAOYSA-N 355.441 4.574 0 40 FJAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 30848223 LZDOZGVZEXLAEX-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)CC1 30943898 ICJBHCNIBGPARB-FQEVSTJZSA-N 364.533 4.670 0 40 FJAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(Cl)c1Cl 32355543 PSYXKCMZUDAQPS-KRWDZBQOSA-N 363.288 4.560 0 40 FJAB O=C(CN1CCc2cc(F)c(F)cc21)Nc1ccccc1-c1ccccc1 32935641 ZFURERREEBKZQD-UHFFFAOYSA-N 364.395 4.633 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 36020408 JVXLQGKEDVFQKL-WLNPFYQQSA-N 374.521 4.624 0 40 FJAB biogenic COc1cc(C)c(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 42472328 PEAUMXHTVRSOLM-ZDUSSCGKSA-N 371.412 4.683 0 40 FJAB Fc1ccc(CN(CCCn2ccnc2)Cc2cccc3ncccc23)cc1 43277673 ILPPUFIINFNXFW-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB Cc1ccccc1-c1csc2c(=O)[nH]c(N3CCc4ccccc4C3)nc12 48985977 IWQARGFMURLOEI-UHFFFAOYSA-N 373.481 4.523 0 40 FJAB O=C(c1ccc(SCc2csc(C3CCCC3)n2)nc1)N1CCCC1 64034495 VVKPFLNKYKHCSM-UHFFFAOYSA-N 373.547 4.724 0 40 FJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2ccccc2)s1 67321163 WEVDTGBAIZQUGU-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349641 HXROIYQMCMNXGU-LJQANCHMSA-N 366.480 4.708 0 40 FJAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1CC1CC1 72370667 TWGNXGZBMVMTCE-KRWDZBQOSA-N 370.562 4.800 0 40 FJAB COc1ccc(CCC(=O)N(CCc2cccs2)Cc2ccco2)cc1 75154766 BCAMGKAVGSDXGB-UHFFFAOYSA-N 369.486 4.554 0 40 FJAB Cc1cc(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)c(C)o1 85471029 XRWIOHGZNRXIRC-UHFFFAOYSA-N 360.866 4.912 0 40 FJAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H](c2ncc[nH]2)C1 95395350 PTGHYNYURDHKLA-HNNXBMFYSA-N 370.522 4.856 0 40 FJAB O=C1C[C@H](c2ccccc2OCc2ccccc2F)c2ccc(O)cc2N1 96335747 NTNQBAHFIHAFLF-SFHVURJKSA-N 363.388 4.584 0 40 FJAB Cc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1Cl 222717045 VQYSQERTQZTZEI-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222947319 JVPOREKUIFJHLG-HUUCEWRRSA-N 357.881 4.864 0 40 FJAB S=C(Nc1ncc(Cl)cc1Br)NC1CCCCCC1 224039765 FJXKQCWQIQKHBU-UHFFFAOYSA-N 362.724 4.507 0 40 FJAB CCOc1ccccc1NC(=S)NCCSCc1ccccc1C 225360408 ANHXFFYRFBUFMX-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1C 225537422 SKHLAIDLEDGWRH-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574580 DYYPXPGIQLIALC-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB CCCCc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225795277 YEPWHRJQQIJFKG-UHFFFAOYSA-N 359.473 4.971 0 40 FJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)c1 409000258 YBNPCTAUBXUANV-MZYLBHOOSA-N 371.436 4.864 0 40 FJAB COc1ccc(CCCC(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 514886070 CKILFLADPQUDNS-UHFFFAOYSA-N 362.429 4.844 0 40 FJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1cc(-c2ccccc2)on1 585146744 KJWGVTNQLXTEQY-HNNXBMFYSA-N 364.426 4.558 0 40 FJAB CC(=C/c1ccccc1)/C=C1/N=C(c2ccccc2Br)OC1=O 829604 YBLGMWFHZWMXAA-RTNVFWHRSA-N 368.230 4.740 0 40 FJAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)c1 941943 VPFVLEGBAAMIMP-FPYGCLRLSA-N 352.217 4.663 0 40 FJAB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2F)cc1 1006587 NKSPMZIAFHYULA-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\C[C@@H]3CCCO3)c2c1 1892478 ZOZSAWARPRDQIR-QIRGYHFYSA-N 363.457 4.751 0 40 FJAB Cc1cc(C)n(-c2nc(SC(C)C)c3c4c(sc3n2)CCCC4)n1 2427045 TWBZZRNNWLBPHB-UHFFFAOYSA-N 358.536 4.873 0 40 FJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 2782854 GSSQIWWORRLKRB-NWDGAFQWSA-N 360.177 4.614 0 40 FJAB COc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1Cl 3192525 SRXBVBVGWNERMM-UHFFFAOYSA-N 360.624 4.673 0 40 FJAB COc1ccc(NC(=O)c2cccnc2Sc2ccccc2)c(OC)c1 3438612 QSLBRLHSMNVSQI-UHFFFAOYSA-N 366.442 4.502 0 40 FJAB CC(=O)[C@@H](C)Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 4091710 ZTZBNGNNBAGJFR-LLVKDONJSA-N 357.759 4.701 0 40 FJAB O=C(CNc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1 5090199 SEMBHYKQQPQFHA-UHFFFAOYSA-N 373.172 4.519 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1ccccc1C(F)(F)F 6377222 JVOFJEVDSMXTIS-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 6694243 XKOMVHIBYWCJBV-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB O=C(NC1CCCCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 6938403 BPBHSLYIWAZYHQ-UHFFFAOYSA-N 363.383 4.907 0 40 FJAB Cc1cc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)no1 7025512 FOFXPQBJQVMIOY-UHFFFAOYSA-N 363.369 4.769 0 40 FJAB CCOc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC 7344718 GFFWOZDUXXDQMJ-UHFFFAOYSA-N 361.441 4.937 0 40 FJAB CCc1cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)sc1C 8009754 QKYNWPOBRYDUFI-UHFFFAOYSA-N 367.518 4.694 0 40 FJAB COCc1c(C(=O)Nc2cc(-c3ccc(C)cc3)no2)oc2ccccc12 8345689 DHKZAOYNQMJWRL-UHFFFAOYSA-N 362.385 4.795 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)N(C)CCOc3ccc(Cl)cc3)o2)cc1 8404451 GTZLJXUGXZISIC-OAHLLOKOSA-N 371.868 4.770 0 40 FJAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc(C(F)(F)F)c1 11177473 IYGXZEFHKXPJCB-UHFFFAOYSA-N 374.318 4.803 0 40 FJAB FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)[nH]n2)cc1 12396814 MDPOZEOZGHIUTD-UHFFFAOYSA-N 352.287 4.947 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1ccccc1NCCc1ccc(Cl)cc1 12515499 NNHMWBVAEXIQAI-UHFFFAOYSA-N 373.880 4.767 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12627264 VYRNCWRSFDJLPI-GOSISDBHSA-N 351.494 4.733 0 40 FJAB Cc1cc2nc([C@H]3CCCN(C(=S)NC4CCCCC4)C3)[nH]c2cc1C 12878985 FOCNJBOKFDEEEW-INIZCTEOSA-N 370.566 4.566 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1 12986710 KXMPBEGJEPWIJP-DZNCOFOMSA-N 366.461 4.537 0 40 FJAB Clc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)c(Cl)c1 13131543 FLHFELVWOFKPSS-STQMWFEESA-N 351.262 4.793 0 40 FJAB C[C@@H](N[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccccc1 13898469 DXSUACXFCFLVGJ-ZHRRBRCNSA-N 360.432 4.831 0 40 FJAB O=C(Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1)c1ccccn1 14121366 HUESFQLILSDYIG-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1nc2ccccc2s1 14139282 ICINUYPEKHTROW-OAHLLOKOSA-N 356.516 4.826 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl 20142416 FPWLHGLYJLPKNE-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 21669340 SZXKSRYGNHLVME-CYBMUJFWSA-N 356.422 4.664 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(Cl)c1 21711052 WDYSDTMGQWCLJA-UHFFFAOYSA-N 358.747 4.795 0 40 FJAB c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 26440547 MGXJQLLOZXQAEP-JWQCQUIFSA-N 356.513 4.835 0 40 FJAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NC[C@H]3CCCO3)sc2c1 26688082 GBYFWWRYLQQMEO-GFCCVEGCSA-N 351.899 4.761 0 40 FJAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1CCc2ccccc21 29483813 ZMMQWUXRVRSBCE-DEOSSOPVSA-N 370.496 4.835 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccc(C)o3)n2)cc1 31802169 VCTMZVMRBZKRAI-PLSXKVAHSA-N 353.447 4.548 0 40 FJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)n1 33331631 DRFUOCZGMCDLIK-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB CC(C)Oc1cccc([C@@H](C)NC(=O)c2nc(Cl)ccc2Cl)c1 40112748 OJHHTXDENQVWHT-LLVKDONJSA-N 353.249 4.667 0 40 FJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(-c2ccccc2Cl)on1 47443627 WYPKCTPMLUPUEK-UHFFFAOYSA-N 370.821 4.699 0 40 FJAB Cc1cc2cc(NC(=O)CSc3ccc(C(F)(F)F)cn3)ccc2[nH]1 56888404 YVMLSZGCONUGFM-UHFFFAOYSA-N 365.380 4.621 0 40 FJAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 106697409 XGYJGKNLRFTCOO-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB COC(=O)CC1CCC2(CCCc3cc(Br)ccc32)CC1 219771232 LXVBBERXWNECJS-UHFFFAOYSA-N 351.284 4.777 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 222968026 JZTJSFVQSZIHFN-RBUKOAKNSA-N 367.489 4.879 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1 223322813 FTDPIBXANVZERD-FQEVSTJZSA-N 359.897 4.939 0 40 FJAB Cc1cccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1C 223897696 BSQPXBMWVMLQIB-VQHVLOKHSA-N 364.272 4.819 0 40 FJAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1c(Cl)cccc1Cl 224212958 LOSCEPFBAQPYHQ-UHFFFAOYSA-N 352.327 4.628 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(OC)c2)cc1 225497566 HDPHCEBRUWPHSI-IBGZPJMESA-N 358.507 4.778 0 40 FJAB Cc1cc(NC(=S)NC2(C3CC3)CCCC2)ccc1Br 225854308 MQQGMUNLDFXURK-UHFFFAOYSA-N 353.329 4.767 0 40 FJAB C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccc(Cl)cc1 226042372 MLRDVLNHOZJHDU-SNVBAGLBSA-N 362.212 4.591 0 40 FJAB O[C@@H](CNCc1ccccc1Cl)Cn1c2ccccc2c2ccccc21 1775970952 AJNBLDNAEMQOMO-KRWDZBQOSA-N 364.876 4.599 0 40 FJAB O=C(O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1 1848350165 WLMLPFKCGMQBFL-UHFFFAOYSA-N 353.381 4.571 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 652913 RMOQERQMEOKWTB-UHFFFAOYSA-N 372.709 4.510 0 40 FJAB O=C(NCc1ccncc1)c1ccc(CSc2ccc(Cl)cc2)cc1 832117 OVDDCKCGRJPIOI-UHFFFAOYSA-N 368.889 4.957 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C2CCCCC2)n1C 906770 LAGLGHZPNGLUAM-HNNXBMFYSA-N 372.538 4.599 0 40 FJAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C2CCCCC2)cc1 924592 CNYDUQKTCCTUCV-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB Cc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C)cc2c1 932918 DJDYZPPLJNLDDY-INIZCTEOSA-N 362.498 4.922 0 40 FJAB aggregator Cc1nc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c(C)c1Cl 974213 FEERQZWUQCYSKU-UHFFFAOYSA-N 352.793 4.658 0 40 FJAB CC(C)N(C(=O)CSc1nc(C(C)(C)C)nc2ccccc12)C(C)C 1342522 XFCQCSBAKVUBNY-UHFFFAOYSA-N 359.539 4.665 0 40 FJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)ccc1O 2069824 XNRHJBOXFUZRKY-HNNXBMFYSA-N 369.461 4.510 0 40 FJAB CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCC 2181924 APABSGRYLLJSEU-UHFFFAOYSA-N 372.896 4.951 0 40 FJAB Cc1ccc([C@H](NC(=O)N2CCCCC2)C(Cl)(Cl)Cl)cc1F 3177692 HGBQLWGMFCRHIY-ZDUSSCGKSA-N 367.679 4.741 0 40 FJAB O=C(COC(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl 3270512 POFJDQJEYYTZFI-UHFFFAOYSA-N 361.583 4.826 0 40 FJAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4002589 HVQOILCLPGYXCA-UHFFFAOYSA-N 370.239 4.747 0 40 FJAB O=C(C1CCCCC1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273255 GXJRMJMWPQCOSQ-UHFFFAOYSA-N 369.465 4.944 0 40 FJAB CCCCOP(=O)(COP(=O)(OCC)OCC)OCCCC 4705712 ZKVGVQUHVGEUHC-UHFFFAOYSA-N 360.324 4.968 0 40 FJAB CCOc1ccc(-c2nc(Nc3cccc(C)c3)sc2CC(=O)O)cc1 5023210 BBGCQTJOYHQYNH-UHFFFAOYSA-N 368.458 4.888 0 40 FJAB CCOC1(OCC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C=CC[C@@H]12 5049681 KGFLNQYTPLJOAL-WTTBSCSTSA-N 358.092 4.620 0 40 FJAB COc1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1 5176938 DTGQGXAUHBHAOM-OFNKIYASSA-N 357.409 4.670 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ncccc1OCc1ccccc1 5331680 HHOGKGWCNFVSCW-UHFFFAOYSA-N 353.809 4.958 0 40 FJAB CC1=CC[C@@H]2C(C)(C)C(=O)C[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 5427120 BUPDBEMKWPDILI-BOCKYXSRSA-N 366.457 4.760 0 40 FJAB biogenic O=C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1 6252410 PJKDVDQLFSFEBL-LJQANCHMSA-N 370.404 4.904 0 40 FJAB in-vitro COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(F)cc1F 6641017 XEOMNGPMAKYABW-GORDUTHDSA-N 358.171 4.932 0 40 FJAB CCCn1c(NC(=O)CSc2ccc(C)cc2C)nc2ccccc21 6653065 HESVDFXKOZTKAL-UHFFFAOYSA-N 353.491 4.794 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 7073178 VHCRIGBODAEXHH-CYBMUJFWSA-N 370.474 4.836 0 40 FJAB Cc1ccccc1OCC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 7643500 QFRWRACLWAKPNJ-CQSZACIVSA-N 374.893 4.552 0 40 FJAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc[nH]1 7653845 QGUJIGYDZUMXNB-UHFFFAOYSA-N 354.214 4.576 0 40 FJAB CCOc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886137 PBGZCDNGNGZTPF-JOCHJYFZSA-N 358.441 4.967 0 40 FJAB COc1cc2sc(NC(=O)c3ccc(Cl)cc3)nc2cc1Cl 8114162 RMOSMRDCRWCIJM-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1 8136631 WIGUUMLZVNKAAF-UHFFFAOYSA-N 361.416 4.772 0 40 FJAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Oc1ncnc2ccccc12 8215773 DHHNWGUSBVKFST-UHFFFAOYSA-N 365.392 4.931 0 40 FJAB CCc1sc(-c2nnc(CSc3ncnc4sccc34)o2)cc1C 8266842 JSZPGJKZRMJSRU-UHFFFAOYSA-N 374.516 4.966 0 40 FJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2nc3ccccc3s2)o1 9579031 AUUPUWGKVACNNY-UHFFFAOYSA-N 364.382 4.537 0 40 FJAB CSc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 12039027 FHIBLHGEBRFKBD-UHFFFAOYSA-N 366.490 4.864 0 40 FJAB COc1cccc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c1 12250889 XHIHUYNNRITYJN-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(Br)o1 12608046 PMFBJRMGJQOYIC-UHFFFAOYSA-N 369.646 4.548 0 40 FJAB Fc1cc2ncn(-c3ncnc4scc(-c5ccccc5)c34)c2cc1F 12644526 PPJVWKZDWZZTAX-UHFFFAOYSA-N 364.380 4.975 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c12 12795471 YCWNTXBLVRMCPD-JTQLQIEISA-N 355.825 4.553 0 40 FJAB CC(C)Cn1c(S[C@H]2CCCCCC2=O)nnc1-c1ccccc1F 12883022 QYSFCOBQOJIFFM-KRWDZBQOSA-N 361.486 4.734 0 40 FJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)c1 13639165 KULZHONWEGEVFY-UHFFFAOYSA-N 374.465 4.745 0 40 FJAB CSc1cccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 13679747 XXUGJAGUPDBLBB-UHFFFAOYSA-N 362.303 4.657 0 40 FJAB CCc1noc(C)c1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 14108652 WANYAQCXDJOJHB-UHFFFAOYSA-N 366.446 4.711 0 40 FJAB CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3ccccn3)n2)s1 14185281 PKYXTJNWTVOCRL-UHFFFAOYSA-N 357.504 4.596 0 40 FJAB Cc1cc(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)on1 14678517 HOVYQFCPMWXZIG-UHFFFAOYSA-N 370.474 4.829 0 40 FJAB O[C@H](CNCc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 16477474 UPZQINKDOGJFGH-JOCHJYFZSA-N 367.876 4.742 0 40 FJAB Cc1ccc2c(c1)cc(C(=O)Nc1ccccc1OCc1ccccn1)n2C 19661256 SRGAAGTVUZLYAN-UHFFFAOYSA-N 371.440 4.713 0 40 FJAB Cc1ccc(CNc2cc([C@H](C)Cn3nc(C)c(C)c3C)nc(C)n2)cc1 19717891 FUBJWKCOZWOLCL-OAHLLOKOSA-N 363.509 4.631 0 40 FJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2cc(F)cc(F)c2)CC3=O)cc1 20101939 JVCDMXPANRMZND-CQSZACIVSA-N 365.383 4.720 0 40 FJAB CCc1cc(Cl)cc2sc(NC(=O)C(C)(C)Br)nc12 20133204 DACYPCGPMMIICL-UHFFFAOYSA-N 361.692 4.624 0 40 FJAB O=C(Nc1ccccc1)c1cccnc1Nc1cccc(Br)c1 22053703 UQFOCHRTMVVMTO-UHFFFAOYSA-N 368.234 4.840 0 40 FJAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccccc1C 22957426 ZVKJAYRZBKZMNR-UHFFFAOYSA-N 355.488 4.796 0 40 FJAB O=C(NCCc1cccc2cccnc12)C1(c2cccc(Cl)c2)CCC1 46717819 XEQRKNPGLFQVEB-UHFFFAOYSA-N 364.876 4.669 0 40 FJAB CC[C@H](NC(=O)N[C@H](CC)c1ccc(OC)cc1)c1ccc(OC)cc1 48324857 LBJGITJSOSMDDR-BGYRXZFFSA-N 356.466 4.605 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c[nH]c2ccccc12 61992275 SMBKFEHAPPNASP-UHFFFAOYSA-N 352.397 4.964 0 40 FJAB Cc1noc(C)c1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 62520576 CMNJYRPPVZRZEB-UHFFFAOYSA-N 373.412 4.543 0 40 FJAB CC(C)(C(=O)NCC[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 72303075 HAEJKRYDGUFUIY-QGZVFWFLSA-N 366.288 4.511 0 40 FJAB Fc1ccc(-c2nc(CNc3ccccc3-n3cccn3)cs2)cc1 84507001 DTASRUATVQRRSA-UHFFFAOYSA-N 350.422 4.747 0 40 FJAB c1ccc(-c2ccc3nc(C4CCN(Cc5ccsc5)CC4)nn3c2)cc1 96038170 BFZXQCZLQRCVIE-UHFFFAOYSA-N 374.513 4.837 0 40 FJAB CCc1ccc([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 138887515 YNYCQBZQHPSPSA-ZDUSSCGKSA-N 351.368 4.524 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219072177 ALFQQGDPVGZEHR-HKUYNNGSSA-N 367.489 4.798 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 222856515 YVNRKELEISOLGK-ZJNQMXKESA-N 350.245 4.893 0 40 FJAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(OC)c(C)c1 225008292 VCSUASYQNYSBND-FQEVSTJZSA-N 363.457 4.803 0 40 FJAB Cc1nc(/C=C2/SCCN2C(=O)c2ccc(Cl)cc2Cl)cs1 225258759 OSIMPRYEOFWNAW-VGOFMYFVSA-N 371.314 4.946 0 40 FJAB CCOc1ccc(C(=O)NCCCc2ccccc2OCC)cc1Cl 225290543 VAGQPGLXAKCRPP-UHFFFAOYSA-N 361.869 4.500 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccccc1 408560015 BOCHSDDMVSIAPA-DQRAZIAOSA-N 366.486 4.549 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2Cl)o1 408585596 GDXRCSHMFIZKKX-UHFFFAOYSA-N 365.241 4.905 0 40 FJAB CCC[C@@H](Nc1cnn(CCO)c1)c1ccc(Oc2ccccc2)cc1 679083556 OVYBQFKHJGBKPC-OAQYLSRUSA-N 351.450 4.621 0 40 FJAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)c1 990703 IDNICEBBFZPKSO-RTBURBONSA-N 353.418 4.617 0 40 FJAB COc1ccccc1CN(Cc1cc2cccc(C)c2nc1Cl)C(C)=O 1367620 PAALYZCPKPTYLX-UHFFFAOYSA-N 368.864 4.754 0 40 FJAB O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccco1 1369204 GKZBGZIXKACSPX-QZTJIDSGSA-N 373.884 4.640 0 40 FJAB Cc1ccc(CN(C)C(=O)COc2ccc(Cl)c3ccccc23)cc1 3417221 YDKQXGSATVLRDG-UHFFFAOYSA-N 353.849 4.839 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 5034782 XTVLKKGWDRIZBB-UHFFFAOYSA-N 371.396 4.706 0 40 FJAB CCOc1ccccc1OCCCC(=O)NCC12CC3CC(CC(C3)C1)C2 5938547 ZLFYMAIWXGCPSS-UHFFFAOYSA-N 371.521 4.577 0 40 FJAB CC(C)c1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6372393 WQXHTZNHBKRCLE-UHFFFAOYSA-N 366.505 4.866 0 40 FJAB Cc1ccc(C(=O)[C@H](OC(=O)COc2ccccc2)c2ccc(C)cc2)cc1 7988791 VSJWZAZUIZVCHP-XMMPIXPASA-N 374.436 4.850 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)c1 8221309 SMHHFOKRANBXPX-JTQLQIEISA-N 369.248 4.893 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8869607 GRTHCOCBZMLMDM-UHFFFAOYSA-N 355.825 4.940 0 40 FJAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(-c2ccccc2)cc1 10234962 CSUGIFUWLYQLGO-UHFFFAOYSA-N 367.452 4.528 0 40 FJAB COc1ccccc1-c1nnc2ccc(Oc3ccccc3C(C)C)nn12 12391872 BKXAQXRHFNETSX-UHFFFAOYSA-N 360.417 4.716 0 40 FJAB CCOc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)cc1 12411879 VSTUIVZSQLCSLN-YUCXICBCSA-N 368.304 4.880 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(C(F)(F)F)cc1 12831899 OHQPXPKJUPGRLS-UHFFFAOYSA-N 360.335 4.932 0 40 FJAB COc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OC 13714235 JTVXWDZOKTXRTE-NRFANRHFSA-N 357.413 4.693 0 40 FJAB COc1ccc(-n2nc(C)c3c2C[C@H](c2cccc(Cl)c2)CC3=O)cc1 14164246 BWVVRSHNCOAGAG-HNNXBMFYSA-N 366.848 4.755 0 40 FJAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1 20244043 WSNAERMGCNKDAT-QFIPXVFZSA-N 374.440 4.518 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Br)cc1 20459323 MGTBVSJBVUXUTF-NSHDSACASA-N 366.280 4.577 0 40 FJAB COc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 20484317 ABQRECCEWABZCW-LBPRGKRZSA-N 367.873 4.598 0 40 FJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccnc(Cl)c3)s2)cc1 21711288 WAKLYQDUXMFYDK-UHFFFAOYSA-N 358.854 4.629 0 40 FJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 21837217 JNASZDXIQNLFOV-LBPRGKRZSA-N 360.479 4.773 0 40 FJAB COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2Cl)c1 22072383 AHNNIRWQKMDGHK-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc(F)c(Cl)c1 26142204 RTHXAJPLYDMJCQ-LBPRGKRZSA-N 361.800 4.824 0 40 FJAB CN(C)CCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 28428187 NLPFBJZMXPGJDG-UHFFFAOYSA-N 367.320 4.614 0 40 FJAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccc(C)o3)n2)c1 31802162 MRBQGSINFLOLFU-BOLDSZDNSA-N 367.474 4.857 0 40 FJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1c(F)cccc1F 32820415 GFMVMTCXSVVFPX-UHFFFAOYSA-N 357.331 4.826 0 40 FJAB Cc1nc2c(c(NC(=O)c3cccc4ccccc34)nn2C)c(C)c1Cl 35326796 RFJPBDKXFGMOPZ-UHFFFAOYSA-N 364.836 4.644 0 40 FJAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 38756634 PYUPTCRTJBSTPM-KRWDZBQOSA-N 367.470 4.827 0 40 FJAB C=CC(=O)Oc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 64220311 ARKVDKGPIJTXBC-UHFFFAOYSA-N 366.726 4.789 0 40 FJAB COc1cccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)c1 71280821 IFJSSWAPWWKJTI-QGZVFWFLSA-N 369.465 4.594 0 40 FJAB CCOc1ccc(OCC)c(NC(=S)Nc2cc(F)cc(F)c2)c1 71760969 ZXRDJLYVXRYPIQ-UHFFFAOYSA-N 352.406 4.571 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72348629 UZCKGKVBCGDFDW-HXUWFJFHSA-N 374.459 4.831 0 40 FJAB Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@H]1COc2ccccc21 89517379 OYTOMXNSICLWAG-KDOFPFPSSA-N 350.487 4.827 0 40 FJAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccco1)c1cccc(F)c1 95349429 DKWMNSSPVVIKNI-LJQANCHMSA-N 371.795 4.609 0 40 FJAB CSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(O)CCCC1=N2 102659837 YNHLCLXZQIHVNX-QGZVFWFLSA-N 354.479 4.795 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CCCc2ccccc21 113970570 IAZWKXJQZGXEFR-VQTJNVASSA-N 357.881 5.000 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(F)cc1)CC(C)(C)O2 219262400 SVHHDUJMBXZUSU-GOSISDBHSA-N 373.493 4.786 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2OC(C)C)c1 219740802 WVUIWRQNVIWSFA-UHFFFAOYSA-N 355.478 4.624 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3OC(C)C)N21 222668246 YPNKZMGBUICRDJ-CWFSZBLJSA-N 367.518 4.848 0 40 FJAB CCCOc1ccccc1CCCNC(=O)c1ccc(OCC)c(C)c1 224362789 YZJZWGXPFVWMEA-UHFFFAOYSA-N 355.478 4.545 0 40 FJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1F 225602392 FJEXCJXYUUZARV-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225703995 RGDMUNQVMJWPAC-VQIMIIECSA-N 355.478 4.601 0 40 FJAB Cc1cccc(-c2noc(CCC(=O)Nc3cccc4ccccc34)n2)c1 225813499 WIKRLQKLZSKXAG-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB O=C(C[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CCCCC1=O)c1ccccc1 226757392 DUIDZRXLUDFXJF-ROUUACIJSA-N 350.414 4.531 0 40 FJAB Cc1ccc(CSCCNC(=O)CCSc2ccc(C)cc2)cc1 409171755 GODXVRZMMODRJH-UHFFFAOYSA-N 359.560 4.835 0 40 FJAB O=C(O)c1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl 520240432 WZYJDLBPCYOVNB-UHFFFAOYSA-N 368.864 4.899 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccc2ncsc2c1 575620429 KIXADFRTTXSIHD-GFCCVEGCSA-N 352.484 4.872 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cc2ccccc2o1 585148334 ZRLVGSPIJCWPSY-ZDUSSCGKSA-N 369.467 4.686 0 40 FJAB CC(C)CN1C(=O)C2(CCN(C3CCCC3)CC2)C[C@@H]1Cc1ccccc1 2037845733 ILTYRXZXKKANTO-QFIPXVFZSA-N 368.565 4.511 0 40 FJAB CC(C)c1ccc(NC(=O)c2ccc(I)cc2)cc1 725789 POJRGSAIUKSEEP-UHFFFAOYSA-N 365.214 4.667 0 40 FJAB Cc1cccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)c1 1330112 XPKFRJIVADSBNM-UHFFFAOYSA-N 373.408 4.537 0 40 FJAB Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1cc2ccccc2o1 2322292 FDBLQUKTTLJOMM-UHFFFAOYSA-N 371.396 4.641 0 40 FJAB O=C(OCc1ccc(COC(=O)c2cccs2)cc1)c1cccs1 3319525 YWIDVRVTGJYQDC-UHFFFAOYSA-N 358.440 4.524 0 40 FJAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 3456384 ICCGOVUGCDSJRY-NSHDSACASA-N 365.882 4.883 0 40 FJAB Cc1ccc(OCCn2c(SCCO)nc3ccccc32)c(C(C)C)c1 3902616 PVOSZMWXLLCCCQ-UHFFFAOYSA-N 370.518 4.632 0 40 FJAB Cc1ccccc1-c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 4655857 QFFDJGRPTAQYKD-UHFFFAOYSA-N 353.491 4.668 0 40 FJAB Fc1cccc(-c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)c1 4667814 JRPGWVNUDRJDML-RMKNXTFCSA-N 356.813 4.816 0 40 FJAB CCCOC(=O)c1ccc(/N=c2\cc(C)[nH]c3ccc(Cl)cc23)cc1 5851540 XVYKFDINDVEHAP-UHFFFAOYSA-N 354.837 4.929 0 40 FJAB CCN(CC)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 6318423 BYSMDHMHEYVJQK-UHFFFAOYSA-N 360.885 4.982 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCC2 6649584 PRVCBFGNEZUENH-NSHDSACASA-N 350.245 4.888 0 40 FJAB CCN[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 6787842 FPVUFPORQBOBEO-HNNXBMFYSA-N 356.775 4.648 0 40 FJAB CCN(Cc1cccs1)C(=O)c1cccc(NC(=O)c2cccs2)c1 8312696 FPDKNCFALFWPAT-UHFFFAOYSA-N 370.499 4.724 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1NC(=O)c1ccco1 8340685 ITCWRNUEDISKIY-VQIMIIECSA-N 366.461 4.635 0 40 FJAB O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccccc1 9145915 RPCVSXXAKQVTPW-IBGZPJMESA-N 373.437 4.848 0 40 FJAB Cc1cccc(OCCn2c(CN3CCCCC3)nc3ccccc32)c1C 9184786 HQVWMOPTELIZMY-UHFFFAOYSA-N 363.505 4.718 0 40 FJAB COc1cc(C)c(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1OC 9885264 NHGIOZGYOZLIOZ-UHFFFAOYSA-N 362.429 4.690 0 40 FJAB O=C(c1cc(-c2csc(-c3cccc(Cl)c3)n2)c[nH]1)N1CCCC1 10026678 MWQWHDVYRKWCTQ-UHFFFAOYSA-N 357.866 4.695 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)Cc2csc(-c3cccs3)n2)cc1 11173377 ZUTPINBKEHABJL-ZDUSSCGKSA-N 372.515 4.690 0 40 FJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)c4ccccc4)[C@H]3C=C12 12662097 JFWJNPMZQASWPB-RPKIBTFVSA-N 353.506 4.651 0 40 FJAB biogenic CCOc1c(Cl)cc(C(=O)Nc2nc3ccccc3s2)cc1OC 12997000 KYWYBFWPLBANFY-UHFFFAOYSA-N 362.838 4.609 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccccc2SCC(F)(F)F)cc1C 13008115 KCHPEURREXMCFR-UHFFFAOYSA-N 369.408 4.975 0 40 FJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc(Cl)c1Cl 13061274 QQQCGVJUPAVBNI-UHFFFAOYSA-N 361.272 4.721 0 40 FJAB CCCc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCCC2 13207135 NVEYKVHVQUFSFS-UHFFFAOYSA-N 373.460 4.609 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Cl 13708370 KGHOEMANMISPHF-ZDUSSCGKSA-N 355.821 4.908 0 40 FJAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)C2CCC2)C1 13996412 DTJFTHLITCFISK-GOSISDBHSA-N 371.912 4.515 0 40 FJAB CCCCCc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 15741284 XRVKLLNFGSTBNA-UHFFFAOYSA-N 365.429 4.543 0 40 FJAB CCCCOc1ccc(NC(=O)Cc2ccc(OC)cc2)c2cccnc12 15841165 CHYZAXMQUSBKON-UHFFFAOYSA-N 364.445 4.604 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccco4)nc32)cc1C 15842368 AMECPXMHACIELY-UHFFFAOYSA-N 357.417 4.562 0 40 FJAB CNC1CCC2(CC1)CN(Cc1ccccc1Cl)Cc1ccccc1O2 19591991 YDIRQERCXNWYDJ-UHFFFAOYSA-N 370.924 4.635 0 40 FJAB Cc1ccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 20043771 GEPLRDIRKWONAT-JOCHJYFZSA-N 365.498 4.512 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCCC1 22475365 VATWGLWQVHOSGO-UHFFFAOYSA-N 354.397 4.810 0 40 FJAB CC(C)c1nnc(NC(=O)c2ccccc2CCc2ccccc2)s1 25323384 VNTWWDMEOVWFMZ-UHFFFAOYSA-N 351.475 4.699 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1 25764112 WVIRVPNLHGUNOB-OUKQBFOZSA-N 354.475 4.916 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1-c1nn2c(C(C)C)nnc2s1 32097350 JRADQMOGXJIMNZ-UHFFFAOYSA-N 359.455 4.547 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1 32623313 LUFLHUPQKSCRTE-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCCc2ccc(F)cc21 40117295 LUNMBWUZXXQQLN-UHFFFAOYSA-N 358.463 4.912 0 40 FJAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41095062 RGSKMCRZRUDBLU-UHFFFAOYSA-N 370.729 4.990 0 40 FJAB O=C(/C=C/c1ccccc1Cl)Nc1cccc2ccc(-n3ccnc3)nc12 49028024 CGQNTZPDSIMFFW-PKNBQFBNSA-N 374.831 4.726 0 40 FJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1c(F)cccc1F 72403700 NSKUKDHBJUOKIA-UHFFFAOYSA-N 365.339 4.886 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 78582644 OZNGQUXNYRKVQR-UHFFFAOYSA-N 364.445 4.723 0 40 FJAB CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCO1 95991275 JYPBBFXRSYRXTA-IRXDYDNUSA-N 370.468 4.575 0 40 FJAB COc1ccc([C@H]2CCCCN(C(=O)c3ccc(F)c(F)c3F)C2)cc1 206886010 SBSUJYDTLPYARI-AWEZNQCLSA-N 363.379 4.522 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)cc1 222819660 DUGDJFROXQGXBB-IERDGZPVSA-N 367.489 4.609 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221381 XJAFOWCYWQASHS-UWJYYQICSA-N 351.490 4.827 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1C 223505548 MUPVIIGMFOANRS-OAHLLOKOSA-N 360.295 4.794 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(N2CCCCCC2)nc1)c1ccccc1 223958600 UOAWHEADRKDVCQ-MRXNPFEDSA-N 354.523 4.510 0 40 FJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 224536148 QTAXQSLQAFJCEL-QGZVFWFLSA-N 364.961 4.885 0 40 FJAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccs1 225133383 CYVDOTJXSZMWCM-UHFFFAOYSA-N 373.499 4.542 0 40 FJAB Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1Cl 225456932 UNGUVVSILBLFRV-UHFFFAOYSA-N 370.909 4.629 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1)C(F)(F)F 226358373 WGSWIMXGQFMETE-UHFFFAOYSA-N 367.710 4.614 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)cn1 257279708 OHUPVYVDCUQBQO-GOSISDBHSA-N 368.433 4.519 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1 257294848 QVZNAGNJKYBEOY-HXUWFJFHSA-N 372.468 4.826 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C3CCOCC3)C2)n1 257296861 REQSIJQVUNWRST-QGZVFWFLSA-N 369.484 4.631 0 40 FJAB Cl[C@]1(Br)[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)[C@]3(Cl)Br 307087885 SFVAUXRMMFFMJV-DHRMIASJSA-N 362.920 4.712 0 40 FJAB COc1ccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)O)s2)cc1 408882636 PSIVGKHWFCFCOX-UHFFFAOYSA-N 368.458 4.806 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cccc2ccccc12)[C@@H]1CC12CCOCC2 530657481 JOEJNBXKJQUDPJ-XZOQPEGZSA-N 371.480 4.862 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1[nH]nnc1-c1cccc(Cl)c1 575607436 LTKNTTZLGBTDOU-UHFFFAOYSA-N 367.623 4.684 0 40 FJAB Cc1cc(Cl)ccc1Oc1ccc(F)cc1CNC[C@@H](C)CN(C)C 1308419443 UJGMHPGUXMGSMM-CQSZACIVSA-N 364.892 4.867 0 40 FJAB COc1ccc(-c2nnc(N(CC(C)C)C(=O)c3cccs3)s2)cc1 1356537 GVOHCGFJRYADQJ-UHFFFAOYSA-N 373.503 4.578 0 40 FJAB O=C(O)c1ccccc1C(=O)c1cccc2c(Br)cccc12 1651973 CLKBMCKEDALDRQ-UHFFFAOYSA-N 355.187 4.532 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2F)nc1)C(Cl)=C(Cl)Cl 2152017 OQVWUJGKPXKUKX-UHFFFAOYSA-N 361.587 4.837 0 40 FJAB COc1ccc(CCNc2nc(C)c(-c3ccccc3)s2)cc1OC 3219736 YQTKZSCEQZRIHJ-UHFFFAOYSA-N 354.475 4.790 0 40 FJAB Cc1cc(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc12 3370494 VXQPNEUSVCBWTD-KRWDZBQOSA-N 364.514 4.773 0 40 FJAB CC1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C(C)C)CC1 3895820 SWKSAYQKJNCPAC-OUNSHVDWSA-N 358.526 4.716 0 40 FJAB COc1cccc(N2CCc3c(C)nc(SCc4ccccc4)nc32)c1 4052027 VRPQYFGCVDTSBU-UHFFFAOYSA-N 363.486 4.780 0 40 FJAB CCOc1ccc(NC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 4079332 GCLSNEBRJMYLCT-UHFFFAOYSA-N 365.458 4.951 0 40 FJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccccc1 4849339 GZKLJCSIZLHHCA-UHFFFAOYSA-N 352.459 4.537 0 40 FJAB CC(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)cc1-c1ccccc1 5157677 LQMKZOYOEQXQQO-UHFFFAOYSA-N 358.393 4.596 0 40 FJAB Cc1cccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1 5659598 UNUWGTMLDNSXPE-UHFFFAOYSA-N 360.442 4.501 0 40 FJAB Cc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(N(C)C)cc3)=NN2)cc1 6245048 GAQOHRVEELUPQK-UHFFFAOYSA-N 368.484 4.803 0 40 FJAB CC[C@H](C)c1ccc(NC(=S)Nc2ccc(N(C)C(C)=O)cc2)cc1 6940007 BHJWNYFZCXDJEO-AWEZNQCLSA-N 355.507 4.992 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCCSc2ccccc21 7777769 JYHQNWNEEBUGMK-UHFFFAOYSA-N 366.511 4.882 0 40 FJAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7929316 LXADYLFGTWXKTG-FQEVSTJZSA-N 371.436 4.621 0 40 FJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1cccc(Cl)c1 8395728 JTBHZEOMIOXDLA-JTQLQIEISA-N 362.813 4.893 0 40 FJAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 8749763 KLLHWIJLNGGXSR-KRWDZBQOSA-N 373.452 4.545 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 10277965 CBSRXWAJHHTJGD-LAUBAEHRSA-N 368.477 4.665 0 40 FJAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccc(Cl)cc2)on1 11915763 NXHKFKWHBITWFL-UHFFFAOYSA-N 373.796 4.996 0 40 FJAB C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1cccc(Cl)c1 12789354 QEXDXPGRKJNTFH-LLVKDONJSA-N 362.907 4.919 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(-c3cccs3)no2)c1 12951803 LMDDXMBZPIXIBX-ZDUSSCGKSA-N 373.503 4.675 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc(C)c1Cl 14831673 HBMVDLLXFLTYLQ-UHFFFAOYSA-N 374.868 4.569 0 40 FJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1 16129629 SHMYCHAGJWYARV-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl 20142522 RWHRWJDGVPOFLD-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB O=C(Nc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1)c1ccco1 23200902 SYXBZSJCSKEDMK-UHFFFAOYSA-N 360.413 4.592 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@H]1C(F)(F)F 24990088 NYYVWAITVWETMY-MFKMUULPSA-N 354.199 4.773 0 40 FJAB Cc1c(C)n(C[C@@H](O)CN[C@@H](C)c2ccccc2)c2c(Cl)cccc12 28296767 NOZOXHKYFNAUCM-YJBOKZPZSA-N 356.897 4.623 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc[nH]2)cs1 29353011 QOBZEFVUCCFTJZ-SNVBAGLBSA-N 363.895 4.911 0 40 FJAB CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38834337 JOIQHIGMNHQIGG-KRWDZBQOSA-N 372.896 4.589 0 40 FJAB Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4cnco4)c3)cs2)o1 48204469 UFKYXXYPKXCPTK-UHFFFAOYSA-N 365.414 4.548 0 40 FJAB Cc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)c2ccc(F)cc2n1 48291124 XEBFSHVGDGRXQP-UHFFFAOYSA-N 356.347 4.554 0 40 FJAB Cc1ccc(-c2nn(CN3CCc4sccc4[C@H]3C)c(=S)[nH]2)cc1 57449886 PPPBUYOORTWNJO-CYBMUJFWSA-N 356.520 4.554 0 40 FJAB CN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc2ccccc2c1 58393639 KWYKJVWIIOMCBG-UHFFFAOYSA-N 367.832 4.931 0 40 FJAB CCN(CC)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72212926 VFHQVEXBSWPTHO-FQEVSTJZSA-N 367.493 4.792 0 40 FJAB Cc1ccc(-c2nc(N[C@H](C)c3ccccn3)ncc2-c2cnccn2)s1 72340297 JOPLTCDNFSOVML-CQSZACIVSA-N 374.473 4.539 0 40 FJAB 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CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1F 408562080 MPLUQSBGFKYHGX-XDOYNYLZSA-N 354.450 4.734 0 40 FJAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 409416279 YCYNEQDMDCYURR-UTCJRWHESA-N 356.636 4.724 0 40 FJAB CC(C)(NC(=O)Nc1cccc(OCCF)c1)c1nc2ccccc2s1 529017720 LYMAUQCHSGDYEV-UHFFFAOYSA-N 373.453 4.701 0 40 FJAB CC(C)N(C(=O)c1ccc(-c2ccncc2)o1)[C@H]1CCCc2cccnc21 606442675 VSCPMSJDOYPICM-SFHVURJKSA-N 361.445 4.665 0 40 FJAB O=C(NOCCOc1ccccc1)c1cc(-c2ccccc2)ccc1Cl 1305274984 JNLOBOXWMXVSEV-UHFFFAOYSA-N 367.832 4.747 0 40 FJAB Cc1[nH]c2ccccc2c1C1CCN(C[C@@H](O)[C@H](C)c2ccccc2)CC1 1307420903 SIPLIGUODNJBGL-UZUQRXQVSA-N 362.517 4.820 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccs2)N1c1ccc(F)cc1 1615160688 SKPOYYFMLTTZCX-IRXDYDNUSA-N 358.482 4.549 0 40 FJAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1 1775966749 XEAIKHCBVBNTHE-SJORKVTESA-N 371.527 4.820 0 40 FJAB CC(C)(C)OC(=O)n1nc(C(C)(C)C)c2ccc(Br)cc21 1889013901 KFMAZVOXJXBQKU-UHFFFAOYSA-N 353.260 4.880 0 40 FJAB Cc1ccc(-c2nnc(N(Cc3ccccc3)C(=O)C3CCC3)s2)cc1 1345461 HHQSSBJNNGPROZ-UHFFFAOYSA-N 363.486 4.847 0 40 FJAB CCCCn1cc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 2153147 SVFIGXVDOUGHLV-IBGZPJMESA-N 360.457 4.797 0 40 FJAB biogenic Cc1cccc(-n2ncc3c(Nc4ccc(F)c(Cl)c4)ncnc32)c1 3912218 CGXJSKHCVGNWAI-UHFFFAOYSA-N 353.788 4.660 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1C 4535327 AAOBETHDZLMGNG-UHFFFAOYSA-N 374.362 4.642 0 40 FJAB CCc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4540014 GODSLMLTPXFBJC-QFIPXVFZSA-N 371.436 4.956 0 40 FJAB CCOc1ccc(Cc2c(C)nc3ccc(C(=O)O)cc3c2S)cc1 4798090 AEGDDBDBQASQBM-UHFFFAOYSA-N 353.443 4.520 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 5615865 MBHHWSURWLKCGU-UHFFFAOYSA-N 365.458 4.638 0 40 FJAB COc1ccc2oc(C(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)c(C)c2c1 7777818 SJJXIDMUDYSGEJ-NSHDSACASA-N 355.356 4.553 0 40 FJAB O=C(CCC(=O)c1cccs1)OCc1cc2ccccc2nc1Cl 8447651 DCTWPUVOWDVPOZ-UHFFFAOYSA-N 359.834 4.656 0 40 FJAB O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCc2[nH]c3ccccc3c2C1 9956142 IKEDTZBQFLHSIR-HOTGVXAUSA-N 350.849 4.510 0 40 FJAB Cc1cc(NC(=O)c2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 11693792 WZTNXQBBPNOAHK-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 12538053 CKXNCLUJIQZDKZ-NSHDSACASA-N 373.840 4.546 0 40 FJAB O=C(CSc1ccccc1C(=O)O)Nc1ccccc1-c1ccccc1 12940499 VGYZXKVVDNSGPG-UHFFFAOYSA-N 363.438 4.783 0 40 FJAB COCCOC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1F 14185591 MIKNKQWTFUBZNZ-UHFFFAOYSA-N 373.811 4.806 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 15396554 CRTDDYJIVBJDNU-CQSZACIVSA-N 369.436 4.965 0 40 FJAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccc3c(c2)OCCO3)on1 27663048 DXUHOZQWQYYOJU-UHFFFAOYSA-N 372.380 4.518 0 40 FJAB CCOc1ccc(-n2c(SCC=C(C)C)nnc2-c2ccncc2)cc1 32945451 XNVVZLZVEPHJTA-UHFFFAOYSA-N 366.490 4.786 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2cccnc2)on1 40128668 YZHGOFYAYYOWSO-UHFFFAOYSA-N 367.714 4.661 0 40 FJAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccccc1 40396249 GRNLIQNZVJRSBC-DNVCBOLYSA-N 372.472 4.771 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Br)c1 44840403 KHBNQUWVSMUGLW-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)cc1 44847217 QMDDKCMAKUTWQG-SFHVURJKSA-N 363.910 4.714 0 40 FJAB Fc1ccc2nc(-c3ccc(I)cc3)sc2c1 45920106 DRNLDZWDVOWTLX-UHFFFAOYSA-N 355.175 4.707 0 40 FJAB O=C(Nc1cccc(Br)c1)C1(c2cccc(Cl)c2)CC1 48433145 VDNFHEUUYGMDJX-UHFFFAOYSA-N 350.643 4.773 0 40 FJAB CCOc1ccc([C@@H]2CC(c3ccc(CC)cc3)=NN2C(=O)CC)cc1 58324571 IHOZESXAXRVUQY-NRFANRHFSA-N 350.462 4.735 0 40 FJAB COc1cccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 67339975 FBSXRDREOZCYNX-VOTSOKGWSA-N 357.793 4.755 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)[nH]n2)cc1Cl 72238530 PTSOQVKRNWGBAQ-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB O=C(Nc1cccc(F)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 72282437 LEPZZAAKXPEEEV-INIZCTEOSA-N 364.424 4.627 0 40 FJAB CCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 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4.860 0 40 FJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 12344238 IIUQPSMGLHZGSA-OAQYLSRUSA-N 361.445 4.524 0 40 FJAB Cc1oc(-c2ccccc2)nc1CSc1nncn1-c1ccccc1F 12478541 LBBBOMKZMMAEJR-UHFFFAOYSA-N 366.421 4.662 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CCSCc1cccc(F)c1 12854784 XYEBACPHZYBYCS-UHFFFAOYSA-N 353.846 4.750 0 40 FJAB Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(F)c(C)c3)c2)cc1 13000188 PGJKBRZPGQNHHW-UHFFFAOYSA-N 362.448 4.985 0 40 FJAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3c(C)noc3n2)s1 13003341 QZZQTMKEEFVYMC-UHFFFAOYSA-N 355.463 4.584 0 40 FJAB C[C@H](Oc1ccccc1)c1nn2c(-c3ccc(F)c(Cl)c3)nnc2s1 13736040 JUJOMSKVDVTXGI-JTQLQIEISA-N 374.828 4.785 0 40 FJAB CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3C)no2)cc1 15372275 SETXKPWUNMEALX-FQEVSTJZSA-N 363.461 4.781 0 40 FJAB CC(C)c1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 15565972 BDRLJOBQYKRSNA-UHFFFAOYSA-N 350.443 4.931 0 40 FJAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19573106 KAMWBSWRTUXGOL-ATPUAQIGSA-N 365.521 4.540 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20141702 OOTBDPNYAUJFOA-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCC1=CCCCC1 21297724 MDGCSDTYRDHDHI-UHFFFAOYSA-N 358.869 4.934 0 40 FJAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)c1 32679024 MDZOQPHMZODVHU-UHFFFAOYSA-N 372.515 4.845 0 40 FJAB O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CCSc2ccc(F)cc21 32809010 AXWSXAMHOPMBID-OAHLLOKOSA-N 369.433 4.549 0 40 FJAB OC1=Nc2c(ncn2-c2ccccc2Br)[C@H](c2ccsc2)C1 36357999 LOIHMYNVHOGYJH-NSHDSACASA-N 374.263 4.820 0 40 FJAB C[C@H](SCC(=O)N[C@H](C)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 40159806 VKCKUYWTJOMPOF-OLZOCXBDSA-N 373.909 4.888 0 40 FJAB O=C(Nc1cccc2cnccc12)N(Cc1cccs1)C[C@@H]1CCCO1 43161271 DIKPSPDYPVWZHN-INIZCTEOSA-N 367.474 4.509 0 40 FJAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(OC)cc1 44946601 QAEQLDHCDVCOLP-GOSISDBHSA-N 361.869 4.612 0 40 FJAB CCSCCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261644 SXRVGMMXXRDHIU-OAHLLOKOSA-N 371.506 4.651 0 40 FJAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(C)cc2C)c1C 58218777 DDZNRUDFIBQWIQ-MRXNPFEDSA-N 369.465 4.619 0 40 FJAB O=C(CNc1ccccc1Br)c1ccc(Br)cc1 59383270 ISXHAGURBGNRPO-UHFFFAOYSA-N 369.056 4.506 0 40 FJAB CC[C@@H](Sc1nnc(-c2ccncc2)n1CC)c1ccc(F)cc1F 77902991 IAYMDPSPDZULCX-MRXNPFEDSA-N 360.433 4.882 0 40 FJAB O=c1ccn(CC/C=C/c2ccc(Br)cc2)c2ccsc12 78986918 COJNANQCXKKWPM-HNQUOIGGSA-N 360.276 4.929 0 40 FJAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)[C@@H]1CC=CCC1 85471508 CFYUFZWNYJTXJO-OAHLLOKOSA-N 355.507 4.699 0 40 FJAB COc1ccc2c(c1)CN(C(=O)Nc1ccncc1)[C@@H](C1CCCCC1)C2 97013834 HWOYLZQAXFERPD-OAQYLSRUSA-N 365.477 4.629 0 40 FJAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(-c3ccccc3)cc1)n2C 100812031 UFFHENFOAQYFDU-GHVJWSGMSA-N 358.466 4.956 0 40 FJAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2csc(-c3ccoc3)n2)o1 173548523 CAJRMCKNJYGTRC-SUMWQHHRSA-N 370.474 4.847 0 40 FJAB O=C(CCc1cccc(Cl)c1)N1CCS[C@@H](c2ccccc2)CC1 218986942 QDYNRZXRWRACOF-LJQANCHMSA-N 359.922 4.979 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222878052 FIGSGECGQFCPOK-HXUWFJFHSA-N 353.849 4.967 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2SC)cc1C(C)C 223147283 NHBMCSNPFHDKRW-UHFFFAOYSA-N 365.520 4.650 0 40 FJAB COc1ccc(OCCCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224147020 YLWPITZQEDGHTF-UHFFFAOYSA-N 361.441 4.745 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1cc(C)cc(C)c1 224196745 JYXPTUYZCHNTQT-UHFFFAOYSA-N 353.462 4.517 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225322309 OIXMZYKIZWTQRY-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB COc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2Cl)cc1 225376242 ASYYMQKAKIHQEE-UHFFFAOYSA-N 352.261 4.593 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225847678 UCRGASAVYRRTDP-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB CCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225861203 ZFOLRNFCZNMGCP-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C)n1 225895943 BDKMBSJQYVIZBN-UHFFFAOYSA-N 364.530 4.985 0 40 FJAB Cc1nc([C@H]2CCCN2C(=O)OC(C)(C)C)cc(N(C)C2CCCCC2)n1 257267936 MJNCUIFBLGBHER-GOSISDBHSA-N 374.529 4.626 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)ccc3OC)N21 260758987 DSCIPMSKNXJGGA-BVGQSLNGSA-N 373.909 4.723 0 40 FJAB CC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2ccc3c(c2)CCCCC3=O)n1 333610955 RZAOUINFANULNH-SJLPKXTDSA-N 354.450 4.564 0 40 FJAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cc(OC)ccc1OC 408585181 CHHRUIGPIVNYQZ-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(F)cc1)N2 409001537 WKUQWUZAMGPZOL-HJNYFJLDSA-N 359.400 4.995 0 40 FJAB CCCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409234594 LUNDNHDMRVDPPP-ZROIWOOFSA-N 365.216 4.556 0 40 FJAB O=c1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)[nH]c2ccccc12 1505444378 DJXFUBDNUKDFTM-UHFFFAOYSA-N 356.303 4.869 0 40 FJAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2ccc(F)cc2)s1 856275 FPZXSAITMXJQMN-UHFFFAOYSA-N 373.796 4.848 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1ccccc1 1000172 HTDBNTVLGHBNIN-WYMLVPIESA-N 371.436 4.658 0 40 FJAB CCCc1nc(SCC(=O)c2ccc(OC)cc2)c2ccccc2n1 1342795 DKRJGNGBURBVNO-UHFFFAOYSA-N 352.459 4.566 0 40 FJAB Cc1ccccc1CSc1nnc(-c2ccccn2)n1-c1ccccc1 2351444 DOCIDXORTNUFPK-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)c(Cl)c1 2361868 JUJRKVXYFVAWMB-UHFFFAOYSA-N 367.286 4.812 0 40 FJAB Fc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 3354345 DTOMWAVYPWKXNT-UHFFFAOYSA-N 355.394 4.528 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 4072064 RUGJAAQLJLMVCK-UHFFFAOYSA-N 353.491 4.567 0 40 FJAB CC(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4162506 QRINBUBVAWMDJR-UHFFFAOYSA-N 354.381 4.809 0 40 FJAB CCCCNC(=O)N(O)c1cc(-c2ccccc2)nc(-c2ccccc2)n1 4481503 MVBZXRBBADBYST-UHFFFAOYSA-N 362.433 4.516 0 40 FJAB Cc1c(C)n(-c2ccccc2)c2nc(C)n(-c3ccccc3Cl)c(=N)c12 4627571 NIGIYPDEESPCGM-UHFFFAOYSA-N 362.864 4.874 0 40 FJAB C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C12CC3CC(CC(C3)C1)C2 4699445 PWQNRZPBWABTPP-UXGAAALTSA-N 373.365 4.717 0 40 FJAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)C2CC2)c2ccccc2)C[C@@H]1C 4988694 YHQOCNJBYYNROU-KKSFZXQISA-N 362.473 4.706 0 40 FJAB Cc1ccsc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5110273 CBIIOGNSQQEZIO-QGZVFWFLSA-N 369.417 4.732 0 40 FJAB CC1(C)CC(NC(=O)Cc2coc3ccc4ccccc4c23)CC(C)(C)N1 6763489 IJCINYCYSPVDDD-UHFFFAOYSA-N 364.489 4.554 0 40 FJAB O=C(c1ccncc1)N(CCc1ccccc1)c1nc2ccccc2s1 7777563 VPCSTQFBVFGLGB-UHFFFAOYSA-N 359.454 4.581 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@H]2CCCC[C@H]2C1 8134615 SEVZOONAAWEDOF-MJGOQNOKSA-N 359.473 4.678 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCCO2 8328050 PGDUBDVZLQCPTD-UHFFFAOYSA-N 359.425 4.696 0 40 FJAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccncc1)O2 12042951 FTNHRSONTISOAJ-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB Fc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccncc3)on2)cc1 12088737 UMOVYRDIQLCRLE-HXUWFJFHSA-N 351.425 4.993 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccccn3)no2)cc1 12143937 JZMYFNJNXQXFPD-OAQYLSRUSA-N 363.461 4.863 0 40 FJAB Cc1nc(CSc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cs1 12779896 LYBXDWNSFBWNOL-KBPBESRZSA-N 360.548 4.862 0 40 FJAB Cc1ccc(-c2ccc(OCC(=O)N3CCc4sccc4C3)cc2)cc1 14263316 GAJUJDBRMFRAHT-UHFFFAOYSA-N 363.482 4.687 0 40 FJAB O=C(Nc1ccccc1-c1cccs1)c1cncc(Br)c1 14704878 UTUMOUVOLKYXLV-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)nc1n2CCCCC1 14910357 RVNOYZHEAZQUQY-UHFFFAOYSA-N 372.472 4.815 0 40 FJAB COc1c(C)cccc1CN[C@H](Cc1ccsc1)c1ccc(C)cn1 19215557 HMVSJKDKOKMCEK-HXUWFJFHSA-N 352.503 4.842 0 40 FJAB COc1ccc2cnc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2c1C 19582627 UUDQZZFIOHBIDV-IBGZPJMESA-N 366.505 4.838 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N)cc1Cl 20005629 ZZEALAPSGUAUTJ-UHFFFAOYSA-N 353.647 4.554 0 40 FJAB OC(CNCc1ccccc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1 20365914 OYMPLRCJMPIZAS-UHFFFAOYSA-N 373.830 4.644 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 20411469 SVOMWBYBOGSCCD-UHFFFAOYSA-N 360.460 4.567 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)C1 20454216 OOVIWOAMJYNTMF-MRXNPFEDSA-N 356.897 4.502 0 40 FJAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc(Br)cc1 22072936 ZAPGFMUOGXGCQH-UHFFFAOYSA-N 374.282 4.650 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 22240045 AMPGNMOYPLTIAU-CYBMUJFWSA-N 368.383 4.530 0 40 FJAB COc1ccc2nc(C(=O)Nc3ccc(-c4nccs4)cc3)ccc2c1 24883938 DYMFKIRFQWVOMH-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB CCCCn1c(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)nc(C)c1C 26121971 NALIDODDEZTJRW-HNNXBMFYSA-N 373.522 4.622 0 40 FJAB Cc1ccc(C)c(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)c1 27027252 ZWOVRLICLINUGB-UHFFFAOYSA-N 356.466 4.625 0 40 FJAB CCCCN1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O 27792459 KFKINQWUXSHJQW-HKUYNNGSSA-N 361.489 4.762 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1 28227304 WXEQVUBUFRPKKL-VIFPVBQESA-N 357.237 4.685 0 40 FJAB Cc1nc2c(cc1C(=O)Nc1ccc(Nc3ccccc3)cc1)c(C)nn2C 29860028 VRELPWIDKVQUTP-UHFFFAOYSA-N 371.444 4.581 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\C=C\c1ccccc1 35386428 ANEDYRNTPNHGNY-RKQKHZQPSA-N 352.821 4.759 0 40 FJAB COC(=O)c1cc(Nc2ccc(Br)cc2)c2cccc(C)c2n1 38487143 DXEOEBRNXSQNKJ-UHFFFAOYSA-N 371.234 4.836 0 40 FJAB CCC(C)(C)c1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770985 KRUSLDAKGZSTGY-CQSZACIVSA-N 354.332 4.905 0 40 FJAB Cn1c(CSc2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc21 43242188 JJXOYXHZQMXYNZ-UHFFFAOYSA-N 356.838 4.569 0 40 FJAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(Cl)cc1)CO3 57327458 XNZFXFGGMKSCDX-UHFFFAOYSA-N 369.848 4.669 0 40 FJAB COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-c2cnco2)cc1 58511178 ACNPTIHIYSEFAT-UHFFFAOYSA-N 372.380 4.534 0 40 FJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC(C(F)(F)F)CC1 72303150 LDGOBJRMPQUKAZ-UHFFFAOYSA-N 365.420 4.928 0 40 FJAB Cc1csc(SCC2CCN(C(=O)c3ccccc3Cl)CC2)n1 90608090 BULXDRSSQRNGCI-UHFFFAOYSA-N 366.939 4.749 0 40 FJAB O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1cccc(-c2nnco2)c1 95997743 OJBFCOSPKNEVOJ-UHFFFAOYSA-N 360.369 4.581 0 40 FJAB O=C(N/C(=C\c1nc2ccccc2s1)c1ccccc1O)c1ccccc1 104273415 HOUWCLPXESSQCE-JXAWBTAJSA-N 372.449 4.930 0 40 FJAB CCSc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 216392443 FNBRMNDKOBHAST-UHFFFAOYSA-N 362.454 4.551 0 40 FJAB CN(CCCNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 218988907 XFZIPECOKLIBDH-UHFFFAOYSA-N 374.484 4.522 0 40 FJAB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 219865338 LPHWQSLCDROHCZ-LJQANCHMSA-N 350.506 4.706 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)SCc1ccccc1 223746957 PPRPANHWLMHNJS-QGZVFWFLSA-N 357.519 4.627 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)c1 223903736 KWDKXSSAUIWTFM-KRWDZBQOSA-N 357.469 4.774 0 40 FJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c3ncccc23)CCC[C@@H](C)C1 225911805 BGPUBSIKTSNTHC-ZHRRBRCNSA-N 370.493 4.948 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)c1cccc(F)c1 226097589 FSWWVDJUFMLEOY-UHFFFAOYSA-N 350.231 4.965 0 40 FJAB Cc1cccnc1Nc1cncc([C@@H]2CCCN(CC3CCCCC3)C2)n1 257314951 UZGPBHLYMSANIR-LJQANCHMSA-N 365.525 4.683 0 40 FJAB CCOc1cccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)c1 408819005 ZKOQVTUTNFUURG-UHFFFAOYSA-N 373.885 4.810 0 40 FJAB O=C(NCC1(c2cccc(F)c2)CCCCC1)[C@H]1CCCC(F)(F)C1 622329424 LTHNBTXNNOMELG-HNNXBMFYSA-N 353.428 4.969 0 40 FJAB O=C(NCC(c1ccco1)c1ccco1)C1(c2cccs2)CCCC1 675007874 YAJFUMBRFMFUDL-UHFFFAOYSA-N 355.459 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364.470 4.871 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12794065 ABMNBAGTDUPJRR-UHFFFAOYSA-N 359.473 4.738 0 40 FJAB COc1ccc(CC(=O)Nc2ccccc2SCC(F)(F)F)cc1 12819271 GFMNOHLVRQYBTI-UHFFFAOYSA-N 355.381 4.531 0 40 FJAB CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1cccs1 12930175 LKAXZKWQDXTWEI-MRXNPFEDSA-N 352.297 4.567 0 40 FJAB Cc1ccc2c(CN(C)CCOc3ccccc3Cl)cc(=O)oc2c1C 12995007 NPYKCEQUQCWLPM-UHFFFAOYSA-N 371.864 4.574 0 40 FJAB O[C@@H](CNCc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 16477471 UPZQINKDOGJFGH-QFIPXVFZSA-N 367.876 4.742 0 40 FJAB COc1ccccc1-c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 19660667 FIQLFELDSICSBN-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB Cc1cc(NC(=O)[C@H](C)Sc2ccccc2)ccc1Br 20238497 ILABDUPHFUNTHK-LBPRGKRZSA-N 350.281 4.877 0 40 FJAB Cc1ccc2[nH]c(C(=O)O[C@H](C)c3nnc(-c4cccs4)o3)cc2c1 29030778 IBGKMPAAGJKHSP-LLVKDONJSA-N 353.403 4.506 0 40 FJAB Cc1c(Cl)cccc1-n1ccnc1SCc1nnsc1Cl 29916409 HNIXVSMIRYFFBJ-UHFFFAOYSA-N 357.291 4.631 0 40 FJAB CCN(Cc1ccc(Cl)s1)C(=O)CCC(=O)c1ccc(C)s1 39973630 LZFJLCKPAZSXDF-UHFFFAOYSA-N 355.912 4.783 0 40 FJAB COc1ccc2oc(C)c(C(=O)Nc3cccc(Br)c3)c2c1 41156510 RIMYPSDZDBCNSV-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 44842796 QSEOXPRUDJLELA-IBGZPJMESA-N 373.424 4.579 0 40 FJAB Cc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 44847754 ZQBUDBAZRGYIJE-ZDUSSCGKSA-N 351.874 4.898 0 40 FJAB CSc1nnc(CN2CCc3sccc3[C@@H]2c2cccs2)s1 48302677 SFKGZPUEJXGNOU-CQSZACIVSA-N 365.574 4.531 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccc(F)cc2)no1 48366612 HOTCILFTCSRXAP-CYBMUJFWSA-N 351.381 4.815 0 40 FJAB O=C(NCc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1Cl 65504107 NBULKOOLGFLMOM-UHFFFAOYSA-N 374.227 4.506 0 40 FJAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 67296654 CYKGNTIFKPKMPJ-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB CCN(C)c1cccc(NC(=O)NCCCSc2ccc(F)cc2)c1 69946515 XIHURDHARHYKBV-UHFFFAOYSA-N 361.486 4.586 0 40 FJAB C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccncc1 72055294 MRRLEFOZHBTCLZ-CQSZACIVSA-N 358.873 4.608 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348983 OHJYPFZHVUJKSF-HXUWFJFHSA-N 374.459 4.836 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72348985 VYKYQZRHDGODKI-LJQANCHMSA-N 374.459 4.836 0 40 FJAB Cn1c(C(=O)Nc2nc(-c3cccnc3)cs2)cc2cc(Cl)ccc21 79490909 KISMERUYCTXTRZ-UHFFFAOYSA-N 368.849 4.603 0 40 FJAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)[C@H]1C[C@H]1c1cccc(F)c1 84368137 VTFGHFCZYIHBNW-GJZGRUSLSA-N 373.840 4.740 0 40 FJAB C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 103150779 HXFYSWZNANTAMI-QZNHQWIBSA-N 357.425 4.552 0 40 FJAB COc1ccc(-c2nc(C(=O)Nc3cc(OC)ccc3Cl)c(C)o2)cc1 118216375 AOOBXFUREDUHRY-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 222816742 WVGXNVMDXYYQAB-QZTJIDSGSA-N 359.441 4.568 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223444139 MNTFSHKMNHCDDQ-UWJYYQICSA-N 355.478 4.655 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1CSc1ccc(Cl)cc1 224351744 PRGHCXNPMRANFG-UHFFFAOYSA-N 361.894 4.877 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 224604742 AGBDOIKEXDJTPO-SFHVURJKSA-N 369.505 4.563 0 40 FJAB Cc1ccc(OCCNC(=O)[C@H](C)Cc2cccc3ccccc23)c(C)c1 224942772 LYILOCOOUJBUDC-LJQANCHMSA-N 361.485 4.830 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCC1(CC1)CO2 225365346 IGXHNXPBCQPZCB-UHFFFAOYSA-N 364.228 4.797 0 40 FJAB CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225373354 UKVONJFEBZZFEK-UHFFFAOYSA-N 354.519 4.912 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OCCOCC)cc2)CCCCCC1 225659915 FGXLIGRHWNTWET-UHFFFAOYSA-N 363.498 4.560 0 40 FJAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c2cccnc12 225913564 DFTRBPBSZDVUJE-OAQYLSRUSA-N 356.466 4.557 0 40 FJAB Cc1cc([C@@H]2CCCCCN2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 253479442 QKSRVUXJRJEXMU-BEFAXECRSA-N 356.466 4.508 0 40 FJAB CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1OC 408994680 ZNJJBPIMOKEVCM-UHFFFAOYSA-N 370.474 4.740 0 40 FJAB Cc1cc(O)nc2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)ccc12 561846651 CYLAUBLKLIUSNK-KCZVDYSFSA-N 372.468 4.657 0 40 FJAB COc1ccc(OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 835937 KVBXPCNSNDYNJQ-UHFFFAOYSA-N 363.438 4.904 0 40 FJAB C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)C2CCCCC2)S1 1036969 FVNXTKHUXMDYRW-GFCCVEGCSA-N 351.903 4.998 0 40 FJAB COc1cccc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 1507004 LRCPVLVAKSBSSO-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 1773743 ASADIGQMUJSOQU-UHFFFAOYSA-N 369.461 4.606 0 40 FJAB CCCCCOC(=O)c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 2414981 MDJUURFXYSAYIR-UHFFFAOYSA-N 366.465 4.629 0 40 FJAB Cc1ccc(C)c(OCCOc2ncnc3sc4c(c23)CCCC4)c1 3278998 QDQBRLRANDKLSN-UHFFFAOYSA-N 354.475 4.645 0 40 FJAB Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Br)c1 3323396 XBAHUVYBWKYCJQ-UHFFFAOYSA-N 371.637 4.601 0 40 FJAB O=C(CCOc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 3892392 RZONNJYAFPFXGH-UHFFFAOYSA-N 358.850 4.871 0 40 FJAB COc1ccc(C(C)=O)cc1CSc1nc(Cc2ccccc2)c(C)[nH]1 4492437 LFSPMQGRPDRCIY-UHFFFAOYSA-N 366.486 4.812 0 40 FJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)c1C 4502053 KUKBSHVJLPOOSH-GQSCTRQFSA-N 361.441 4.631 0 40 FJAB Cc1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 5100062 JYLMBEZJPMDZIE-UHFFFAOYSA-N 356.454 4.765 0 40 FJAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(OCc2ccccc2)cc1 6507910 XGGVBAFIYOEKKP-GOSISDBHSA-N 372.468 4.655 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(SC)sc2c1 6582403 BMDUPGDWGYUJIE-UHFFFAOYSA-N 364.879 4.933 0 40 FJAB COc1ccc(N[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1Cl 6639234 RLBJWUDDRXFUJM-CYBMUJFWSA-N 354.837 4.941 0 40 FJAB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2C[C@@H]2C)c2ccccc2)cc1Cl 6639680 OUKYUAKZYAHJAS-XCRHUMRWSA-N 357.837 4.527 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 6811177 BXFPJYWTOUSBJW-UHFFFAOYSA-N 369.852 4.618 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6879930 CPMTZFZAEHEZCE-NTCAYCPXSA-N 364.489 4.776 0 40 FJAB CCOc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)cc1OCC 6935358 ISBJLNRCFLQUSQ-UHFFFAOYSA-N 358.507 4.587 0 40 FJAB Cn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1C1CC1 7235462 XOFWODCVNSXKPR-UHFFFAOYSA-N 362.911 4.762 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 7238908 ATSAMPPGFLNKAI-NSDYXAQKSA-N 365.473 4.807 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 9164682 IKSABSQIWLVYSS-UHFFFAOYSA-N 370.880 4.918 0 40 FJAB COc1ccccc1CNc1ncc(-c2ccsc2)c(-c2cccnc2)n1 12144364 HKWQMMAFZMNIDA-UHFFFAOYSA-N 374.469 4.888 0 40 FJAB CCOc1cc(C(=O)NC2CCCCCC2)ccc1OCc1cccnc1 12552635 BMXKLQDKTMMGCE-UHFFFAOYSA-N 368.477 4.512 0 40 FJAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C(F)(F)F 12638523 YDBDZIUADZQSAP-JTQLQIEISA-N 357.763 4.501 0 40 FJAB O=C([C@@H]1CC=CCC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12794911 MNKDOPYDUNYTGH-QGZVFWFLSA-N 352.503 4.911 0 40 FJAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)(C)C)c1 13511470 HZNGBTXSZBTPMO-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB CCC[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 15652605 FDDZIHBIAFKXTP-GFCCVEGCSA-N 359.470 4.512 0 40 FJAB O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccs1 18704329 WBAMGOSHPRZLBU-QGZVFWFLSA-N 359.397 4.869 0 40 FJAB CC(C)c1nccn1CCCn1cncc1-c1cnn(C2CCCCC2)c1 19719960 MJGMGUBOIPGKLM-UHFFFAOYSA-N 366.513 4.662 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20143941 RNYQSEAEUBEXBW-UHFFFAOYSA-N 365.429 4.580 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 20494454 GBJQVFUSIRGGNR-HXUWFJFHSA-N 369.505 4.609 0 40 FJAB CC(C)N1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 20549633 ZOFVYLMMCVOILF-OAQYLSRUSA-N 368.546 4.509 0 40 FJAB COc1ccc(-n2nc(Nc3cc(C)cc(C)c3)c3c2CCCC3=O)cc1 20796822 VGSPWNFUZDWULK-UHFFFAOYSA-N 361.445 4.760 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC 21835415 MSASQLFKIRVIHJ-BPOBUFBUSA-N 353.462 4.621 0 40 FJAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)c(OC)c1 26040111 BBQHBMYPAHZPFI-UHFFFAOYSA-N 371.483 4.802 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(C)c2C)cc1Cl 27397243 VLTCGDDHYWPQJS-UHFFFAOYSA-N 358.869 4.691 0 40 FJAB COc1cccc(C(=O)N(Cc2cccs2)c2cccc(OC)c2)c1 27664310 RCFOMEDPYYSAJH-UHFFFAOYSA-N 353.443 4.612 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)no2)cc1 28286960 QLGOAUZLENBXMQ-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc2ccccc12 32765301 HNWRXNGLVVDTDM-INIZCTEOSA-N 368.440 4.864 0 40 FJAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1C(F)(F)F 32777516 HLSMGXMCWVGYPX-GFCCVEGCSA-N 370.802 4.990 0 40 FJAB O=C(OCc1ccc(-c2ccccc2)cc1)c1c[nH]c2ccccc2c1=O 32810049 BMOWVMNBKRNTBP-UHFFFAOYSA-N 355.393 4.552 0 40 FJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 32845924 UIRVJGXGEKPHKV-DEOSSOPVSA-N 371.436 4.890 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)c1 36359219 LVBHPPCLPLVMQW-UHFFFAOYSA-N 358.397 4.738 0 40 FJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1c(Cl)cccc1Cl 59195054 XUHGNBFVLYBIHV-ZSOIEALJSA-N 352.604 4.991 0 40 FJAB O=C(/C=C/c1cccnc1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 84522570 HIAWTANTNGKBMG-BGVYSJOJSA-N 362.860 4.848 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@H]1CCCC[C@H]1C(F)(F)F 84614826 IBKLADNAPGXLAL-LSDHHAIUSA-N 365.355 4.576 0 40 FJAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1ccco1 101364626 USFCHMNERQUPKK-UHFFFAOYSA-N 365.772 4.959 0 40 FJAB C[C@@H](c1ccccc1)N(Cc1ccncc1)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 105549150 YLBRGPDFOXNXKK-GIUOSPMZSA-N 365.546 4.708 0 40 FJAB Cc1ccc(N(C(=O)c2cnn(-c3ccccc3)c2)C2CCCCC2)nc1 108202831 LKDJMHCLKAWPEI-UHFFFAOYSA-N 360.461 4.555 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(OC(C)C)c1 113970741 GQYXLDJGKHRWSZ-OAQYLSRUSA-N 355.478 4.564 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1SC3=NCCN3[C@]12O 118916129 PYAGEKHNNRKKHJ-DZIBPBONSA-N 374.594 4.505 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(Br)c1 222944662 PMIKOEXFBMLHCU-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)c1 224223355 OHZQICGRVMDGSL-QZTJIDSGSA-N 365.527 4.937 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2 224289216 LFQQRXNJKPRFEX-MRXNPFEDSA-N 363.816 4.520 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 224475952 KFTYEVZDGFVSOS-QGZVFWFLSA-N 367.873 4.545 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1COc1cccc2ccccc12 224628277 DTBNQHDDPJWHJJ-UHFFFAOYSA-N 361.441 4.710 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3c(C)cccc3C)o2)c1 224844456 GAXSMAMBQSGJGR-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB CC(C)NC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448373 KNDMLHWZPSZAHQ-UHFFFAOYSA-N 361.445 4.943 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(C)c(C)cc1C 225650591 CCUYCSFFEYYOJL-LJQANCHMSA-N 353.462 4.653 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(F)c2)cc1OCC 225750199 LVNOLFLOMZZMLH-ZDUSSCGKSA-N 362.470 4.671 0 40 FJAB Fc1ccc(Cc2ccc([C@H]3CCCCN3Cc3ccncc3)cn2)cc1 257271735 MZPKNPVQEUBCCH-HSZRJFAPSA-N 361.464 4.934 0 40 FJAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 257367404 KAMWBSWRTUXGOL-GLFFXRKQSA-N 365.521 4.540 0 40 FJAB Cc1nc(CN2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)cs1 2087044533 HFVQPVDTUUFWPI-UHFFFAOYSA-N 364.518 4.652 0 40 FJAB Cc1ccc(-c2csc3nnc(SCC(=O)c4ccccc4)n23)cc1 937515 UHEYLQPZONJVKB-UHFFFAOYSA-N 365.483 4.741 0 40 FJAB Cc1cc(C(=O)OCC(=O)c2ccccc2)c2ccc(Cl)c(C)c2n1 993375 JVOSDIPNPOKXOO-UHFFFAOYSA-N 353.805 4.545 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c(C)c1 1332600 QULLHJLXDUWWSH-UHFFFAOYSA-N 363.486 4.855 0 40 FJAB Clc1ccc(-c2cc3nc4c(c(NCC5CC5)n3n2)CCCC4)cc1 1341517 LNBVSVLDFQVNKY-UHFFFAOYSA-N 352.869 4.750 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@@H](C)[C@@H](C)C3)sc2c1 1421839 MGGCOHQHXRYZCS-QLFBSQMISA-N 374.506 4.691 0 40 FJAB c1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2230731 UUDJTVNBCLNPQL-UHFFFAOYSA-N 352.441 4.826 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 2484259 BRLZBGQUBOCPAA-AWEZNQCLSA-N 355.459 4.667 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1C 4078328 BGXXEQAWMVBUDR-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB CC(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1 4178346 DHAVRAFTIHOFPT-UHFFFAOYSA-N 374.238 4.597 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc2cc(C)ccc2nc1Cl 4275562 KZYQWJGXNFGFMW-KRWDZBQOSA-N 369.877 4.956 0 40 FJAB CC1(C)[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@]1(C)C(=O)O 4474062 XHROHRKPVNEWHD-GCJKJVERSA-N 367.445 4.945 0 40 FJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4599849 GXKWMWXMAXOIAP-JTHBVZDNSA-N 356.425 4.938 0 40 FJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F 5151096 KDSGEFWXLQJWCW-VJBMBRPKSA-N 369.480 4.703 0 40 FJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 5881639 KHQXFULJIDURAI-UHFFFAOYSA-N 361.228 4.708 0 40 FJAB O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5936930 HJSLDFVETRAXKC-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 8041549 XJEDYDIYHKUJQF-QFIPXVFZSA-N 351.490 4.634 0 40 FJAB COc1cc(C=O)cc(Cl)c1OCc1cccc(Br)c1 8470283 ZVHOUENGYMUWGH-UHFFFAOYSA-N 355.615 4.503 0 40 FJAB CCCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)s1 9172920 JEPKATKHVZLCFQ-JTQLQIEISA-N 370.931 4.523 0 40 FJAB Clc1ccc(/C=C/c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1 9576977 SJPZYLCYUPVULE-FNORWQNLSA-N 374.256 4.725 0 40 FJAB Cc1nc2ccc(NC(=O)c3sc(NC(=O)C4CC4)cc3C)cc2s1 10404126 JLPAJKVTXFKGGN-UHFFFAOYSA-N 371.487 4.575 0 40 FJAB O/N=c1\oc2cc(O)ccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 13896621 GWCCLPOONYADJZ-FXBPSFAMSA-N 370.817 4.872 0 40 FJAB C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccccc1 13938126 WUMOBQQHQUPKGG-SECBINFHSA-N 364.681 4.686 0 40 FJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2c1CCCC2 15302376 OIGVBKOVMNBCCV-UHFFFAOYSA-N 373.378 4.573 0 40 FJAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCC 22074654 FRZKKVZWGZPTOR-UHFFFAOYSA-N 351.849 4.609 0 40 FJAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 27685820 YPRHIDDISGSWPI-DJJJIMSYSA-N 359.853 4.686 0 40 FJAB CC1CCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 30941302 ASYBKYYSCSXMRK-UHFFFAOYSA-N 366.549 4.617 0 40 FJAB Cc1ccc(O)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 32074649 PDDGXWZKRHHETR-UHFFFAOYSA-N 355.397 4.563 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2oc3c(F)cccc3c2C)c1 32719579 XHDWCUKMSUOZPG-UHFFFAOYSA-N 357.381 4.930 0 40 FJAB CC(=O)c1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 32879091 CDXFDULFZYOUHQ-UHFFFAOYSA-N 361.323 4.570 0 40 FJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38833814 TVJITKREZZKUPD-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccccc1F 44922253 LUVFYGFTXJZXEK-UHFFFAOYSA-N 357.435 4.599 0 40 FJAB CCCC(=O)Nc1ccc(CNCc2ccc(Br)s2)cc1 47719785 VKRRBKPWNWMWAX-UHFFFAOYSA-N 367.312 4.539 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(-c2nc3cc(C)ccc3n2C)cs1 48879989 MFNFAZKFXQNFCB-UHFFFAOYSA-N 362.458 4.690 0 40 FJAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OC3CCCC3)c1)CC(O)=N2 61718672 HJPJYMSGORFHDL-CYBMUJFWSA-N 373.478 4.638 0 40 FJAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCCCCC1 72216738 NYOXBJVBMAHCJR-OAQYLSRUSA-N 363.505 4.829 0 40 FJAB Cc1ccc(NC(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(C)c1 84133442 VYLMWEABEGEBJB-OALUTQOASA-N 365.521 4.582 0 40 FJAB Cc1nc(CNc2nc(-c3ccccc3)nc3ccccc23)ccc1[C@@H](C)O 95455219 GXEDYZBLDBYENF-MRXNPFEDSA-N 370.456 4.666 0 40 FJAB Cc1ccccc1[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)CCS1 219268997 BMGUXIJAXGPEFI-OAQYLSRUSA-N 364.514 4.726 0 40 FJAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219308845 LWNXRYMFLBMSCH-LJQANCHMSA-N 372.440 4.767 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 219366572 OLUPMBQMWPJUHO-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 222613972 JVYGXPPIDOXBOC-IBGZPJMESA-N 364.533 4.972 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccccc2)s1 223254479 BPAPGJCWHNKVKE-INIZCTEOSA-N 367.474 4.618 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccc(Cl)cc1 223559171 SLYPSSJPAPUBIR-INIZCTEOSA-N 371.908 4.735 0 40 FJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224419919 TVMICRDFVJONST-DLBZAZTESA-N 369.490 4.768 0 40 FJAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(OC)cc2)c2ccccc2O1 225313359 DVOHZOLBRZYBBL-FQEVSTJZSA-N 367.489 4.827 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C 225517651 WAIKXGWRWQHENS-IBGZPJMESA-N 351.490 4.699 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccccc3C)s2)cc1 225616271 AHECCSRZRBCIQT-UHFFFAOYSA-N 369.515 4.694 0 40 FJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1cccc(F)c1 408713032 HFFHFFLXRXOZCW-UHFFFAOYSA-N 368.433 4.529 0 40 FJAB O=C(COc1ccc(-c2ccccc2)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 675007918 DBGSIEFAHPFIJA-VXKWHMMOSA-N 359.469 4.976 0 40 FJAB COc1ccc([C@@H]2CCCCCN2Cc2ccc(/C=C/C(=O)O)cc2)cc1 2037873391 GRVNLJWUJPHNAY-NCSHYYEOSA-N 365.473 4.910 0 40 FJAB CCOc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1 1016492 NUQFPQACZTZNQO-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB Cc1ccn2c(NC3CCCC3)c(-c3cc4cccc(C)c4[nH]c3=O)nc2c1 1330109 KFMDHURIYMOUJU-UHFFFAOYSA-N 372.472 4.814 0 40 FJAB C[C@@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)C1 1340904 HUHAKBFEAWVKHH-HUUCEWRRSA-N 364.468 4.506 0 40 FJAB Cc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 1358308 CBDSKIYHNIWLLC-INIZCTEOSA-N 364.518 4.756 0 40 FJAB CC1(C)CC(C)(C)c2c1oc(=O)c1c3c(oc(=O)c21)C(C)(C)CC3(C)C 1580275 ANJNSKLJQLGTAJ-UHFFFAOYSA-N 356.462 4.664 0 40 FJAB biogenic Cc1csc(N(C(=O)c2cc(F)c(F)c(F)c2F)c2ccccc2)n1 2641285 BIMBVGYKIGOIFR-UHFFFAOYSA-N 366.339 4.986 0 40 FJAB O=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)c(Cl)c1 3244298 CLFMETFUIAMHNS-UHFFFAOYSA-N 364.257 4.667 0 40 FJAB c1cncc(-c2nc(NC3CCCCC3)c3c4c(sc3n2)CCC4)c1 3440115 IRSWFFXZRQFEDP-UHFFFAOYSA-N 350.491 4.987 0 40 FJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccs1 3505946 KXMCPKDVFKNYLH-UHFFFAOYSA-N 367.455 4.564 0 40 FJAB COC(=O)c1ccccc1SCC(=O)c1cc(Cl)sc1Cl 4091689 JDRHICYPGHMOSZ-UHFFFAOYSA-N 361.271 4.817 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)[nH]n2)cc1Cl 5343430 MNEALSCOOIGMQU-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)c1 6243477 FJKUIUJVHSZGCW-AWEZNQCLSA-N 356.491 4.726 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1Cl 6260140 TXNXTZLRGZATCH-FPYGCLRLSA-N 354.606 4.894 0 40 FJAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)oc2c1 6307361 QNCZXFBNKACUHL-IZZDOVSWSA-N 363.417 4.562 0 40 FJAB CC(C)(C)OC(=O)N1CCC(C(=O)OCc2cccc3ccccc23)CC1 7804730 GJZCLBIEFHDFLB-UHFFFAOYSA-N 369.461 4.530 0 40 FJAB CC(C)CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 8561760 ZTZXJYFYIQYJRY-UHFFFAOYSA-N 352.228 4.719 0 40 FJAB CSc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 9063216 GZNDSKVMGHUWQZ-UHFFFAOYSA-N 374.937 4.913 0 40 FJAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)(C)C)c1 9185111 DARJGKIDACFFNX-UHFFFAOYSA-N 362.473 4.586 0 40 FJAB Fc1ccc(-c2cnc(SCc3cc(F)cc4c3OCOC4)o2)cc1 10847052 JBWVVRRRICENGP-UHFFFAOYSA-N 361.369 4.779 0 40 FJAB COc1ccc2oc(-c3csc(NC(=O)Cc4cccs4)n3)cc2c1 10884118 UWTICSPJSAIQHL-UHFFFAOYSA-N 370.455 4.808 0 40 FJAB COCCNc1oc2c(c1-c1ccc(C)cc1)c(=O)oc1c(C)cccc12 11614628 QNKDZRVVKUWEEB-UHFFFAOYSA-N 363.413 4.881 0 40 FJAB CC(C)(C)c1ccc(C2=N/C(=C\c3cnn(-c4ccccc4)c3)C(=O)O2)cc1 12566997 JAMFWSZCNONTGJ-MOSHPQCFSA-N 371.440 4.514 0 40 FJAB O=C(CSc1ccccn1)Nc1ccccc1Sc1ccccc1 12600974 XQONQEPJMKTJJK-UHFFFAOYSA-N 352.484 4.964 0 40 FJAB Cc1noc(CSc2ccccc2C(=O)Nc2cccc(Cl)c2)n1 12863383 SNCKEJKRHDNBNO-UHFFFAOYSA-N 359.838 4.576 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(N2CCCC2=O)c1 12902345 LHHGVOLVKRRYFX-UHFFFAOYSA-N 370.880 4.844 0 40 FJAB CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12920639 BQLTXGJNGDEZRA-LJQANCHMSA-N 351.446 4.559 0 40 FJAB 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O=C(Cc1c[nH]c2ccccc12)Oc1ccc(C2SCCS2)cc1 32738083 OVBRLMOQYRYCOM-UHFFFAOYSA-N 355.484 4.795 0 40 FJAB C[C@@H]1Oc2c(C(=O)Nc3ccccc3OCC(F)(F)F)cccc2[C@H]1C 32885721 LSJURQXOXMWPEQ-RYUDHWBXSA-N 365.351 4.764 0 40 FJAB COCCN(Cc1ccsc1)C(=O)C(c1ccccc1)c1ccccc1 42382213 IGHNHSNCWGNAKI-UHFFFAOYSA-N 365.498 4.555 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 44843306 FQTTWTNNKLVCBT-IAGOWNOFSA-N 363.457 4.883 0 40 FJAB O=C(CCSc1ccccc1)N1CCC(COCc2ccccc2)CC1 49028651 ZRWGZBICOBTYJZ-UHFFFAOYSA-N 369.530 4.624 0 40 FJAB Cc1c(N)cc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1N 57351261 OVAYXKZKDODWGN-UHFFFAOYSA-N 360.255 4.854 0 40 FJAB COC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 59294030 ZADCPWWPPVKWNZ-UHFFFAOYSA-N 369.461 4.567 0 40 FJAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(Nc2ccccc2)cc1 71848625 BSRWEKSMNMODSE-OUKQBFOZSA-N 366.852 4.777 0 40 FJAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccco1 72328539 MNAOLBMXRJSFKV-UHFFFAOYSA-N 357.841 4.575 0 40 FJAB O=C(NC1CCOCC1)c1oc2ccccc2c1CSC1CCCCC1 79019883 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O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccncc1 33778910 JLEDQHOJICREGM-IBGZPJMESA-N 351.789 4.516 0 40 FJAB Cc1cc(C)c(C2=NC(c3ccccc3)(c3ccccc3)C(=O)O2)c(C)c1 38337785 JZWIRLQWAZDYQI-UHFFFAOYSA-N 355.437 4.859 0 40 FJAB CCOc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39761121 QTFRZYAGFBZGHZ-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB COc1ccc(/C=C/C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 40135193 JIEGVJODSSQAKR-JXMROGBWSA-N 351.421 4.554 0 40 FJAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078732 UXKWPJWNBRJMKO-UHFFFAOYSA-N 364.489 4.508 0 40 FJAB CCc1ccc(Nc2c(C(=O)N(CC)CC)cnc3nc(C)ccc23)cc1 49005571 AOIQVRWBONVYPO-UHFFFAOYSA-N 362.477 4.726 0 40 FJAB O=C(NCc1cccc(Br)c1)c1cc2cc(Cl)ccc2[nH]1 57416202 HWHXKNXFQJIETC-UHFFFAOYSA-N 363.642 4.514 0 40 FJAB Clc1ccccc1CN1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375116 GHVJMTDZBJFFLZ-SFHVURJKSA-N 365.868 4.606 0 40 FJAB O=C(NNc1ccc(F)cc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 74176594 SXRINNVTUHFAOS-HZPDHXFCSA-N 367.449 4.629 0 40 FJAB O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 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C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 7407750 OLOWOBLXCDMELZ-KTROKBFUSA-N 364.228 4.613 0 40 FJAB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1 8367854 QGZGIFIPAAIXMY-DNTJNYDQSA-N 352.217 4.824 0 40 FJAB CN(C)CCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 8373848 ZSQAZMRTVKEDOB-UHFFFAOYSA-N 367.320 4.614 0 40 FJAB Cc1nc2cc(C(=O)N3CCc4ccccc43)ccc2n1-c1ccccc1 8393449 VIOJPTVDMJRUNS-UHFFFAOYSA-N 353.425 4.537 0 40 FJAB CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 8917568 CIBKDHVUZSJWBS-UHFFFAOYSA-N 353.393 4.660 0 40 FJAB CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3ccccc3nc21 9331410 SCAFMIXFNNXFRL-UHFFFAOYSA-N 374.444 4.646 0 40 FJAB COc1cc(OC)cc(C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)c1 10157715 VSCGKODYMKHWRT-UHFFFAOYSA-N 367.445 4.555 0 40 FJAB O=C(COc1cccc(Cl)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11074133 AIDRBTUJIHIECK-UHFFFAOYSA-N 366.848 4.516 0 40 FJAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 11427538 RXNHVPOOMCRNPK-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188077 NYXRWMPLULUXLX-LJQANCHMSA-N 364.876 4.837 0 40 FJAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OC1CCCCC1 12419210 NMPFRSIPLRMYMK-HNNXBMFYSA-N 357.475 4.942 0 40 FJAB CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 12821216 PQCBOVGAIQQQTA-UHFFFAOYSA-N 364.449 4.541 0 40 FJAB O=C(O)c1ccc(Cl)c(NC(=O)c2cc3cc(Cl)ccc3o2)c1 13302903 BMYWVKFUDWGQCO-UHFFFAOYSA-N 350.157 4.690 0 40 FJAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccc(-c2ccccc2)cc1 13607766 DQINBJVNPCCBEE-UHFFFAOYSA-N 367.452 4.716 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1 14595459 XKRPSTFYELYUNC-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB CCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)c2ccccc12 16780612 NWJIZGDVJBXUKQ-UHFFFAOYSA-N 355.459 4.738 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NCCSc2ccccc2)cc1 18138360 TXNBIKZVBWAAIE-UHFFFAOYSA-N 356.438 4.784 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(C(=O)O)c1 20145261 VIYCTYWWFNFANK-DHZHZOJOSA-N 367.788 4.950 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 20611184 NLJLGAGAHWPLSD-UHFFFAOYSA-N 374.419 4.683 0 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Cc1cccc2c(C(=O)N[C@H]3CCOc4ccccc43)cc(C3CC3)nc12 40145136 SFGHUDKDMHMKFN-IBGZPJMESA-N 358.441 4.674 0 40 FJAB Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OC(C)C)cc2F)c1C 52020717 KQEUIWJHHDHFBE-UHFFFAOYSA-N 367.424 4.668 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)n3cnc4ccccc43)cn2)cc1 58159507 QERDJBAONUWNMA-MRXNPFEDSA-N 372.428 4.732 0 40 FJAB C[C@H]1CCCCN1C(=O)c1cc(Cl)c(Br)c(Cl)c1 59842935 BZUJHSNSKYGUHZ-QMMMGPOBSA-N 351.071 4.771 0 40 FJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 67259608 KJZSHONYRUHMLC-UHFFFAOYSA-N 374.465 4.973 0 40 FJAB Cc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333529 XWAIJYSFXIHFND-UHFFFAOYSA-N 350.491 4.629 0 40 FJAB Clc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 72358620 LSJREMGATLVNRW-QGZVFWFLSA-N 364.880 4.572 0 40 FJAB O=C(CCSc1ccccc1)N1CCS[C@H](c2cccs2)CC1 219501107 ULAWCECSPCNCNG-KRWDZBQOSA-N 363.573 4.937 0 40 FJAB O=C(CCc1ccccc1Cl)NCCSc1ccc(Cl)cc1 220011172 GSGJUOQAWJDTBJ-UHFFFAOYSA-N 354.302 4.835 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1C 224455869 UPBXKNSYSNOVBW-FQEVSTJZSA-N 363.457 4.501 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(Cl)cc1 225309718 IJDLVUPQQZOQGA-GOSISDBHSA-N 357.881 5.000 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 225620979 LISAVLIBRHPLTP-UHFFFAOYSA-N 369.486 4.992 0 40 FJAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@H](C)C1 225911774 CKJGIILDXFXDQG-BTYIYWSLSA-N 356.466 4.557 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 226268332 VKTRLNNRLBYBFQ-INIZCTEOSA-N 367.493 4.689 0 40 FJAB COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C(C)C)c(N)c12 409373945 IWWGCFGHNIPOMZ-UHFFFAOYSA-N 369.490 4.709 0 40 FJAB C[C@@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccccc2)CC1 518580698 VEGNLUSKEVURKQ-IBGZPJMESA-N 372.512 4.929 0 40 FJAB COCc1ccc(NC(=O)N2CCCC3(CC2)CC3)cc1C(F)(F)F 626611815 WXCDCIJFALDKHQ-UHFFFAOYSA-N 356.388 4.650 0 40 FJAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(NC(C)=O)cc3)sc2c1 675088 OINCNNMRCNHZNB-UHFFFAOYSA-N 374.849 4.774 0 40 FJAB Cc1ccc2nc3n(c2c1)C(=O)[C@@H]1C2c4ccccc4C(c4ccccc42)[C@@H]31 988080 AEVLAQMBVRXWGD-BWWMBTDCSA-N 362.432 4.989 0 40 FJAB CCCCn1c(N)c(C(=O)Nc2cccc(C)c2)c2nc3ccccc3nc21 2294164 OYLYJIWKASSMMR-UHFFFAOYSA-N 373.460 4.528 0 40 FJAB CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccs1 2633918 XDLWAKCWFJXVPU-UHFFFAOYSA-N 369.924 4.716 0 40 FJAB aggregator C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCCc2ccccc21 3415672 MIEISRUUBZNCCM-BBRMVZONSA-N 368.527 4.971 0 40 FJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 4910808 DYPJCABZZZVBHN-OAHLLOKOSA-N 357.425 4.722 0 40 FJAB Cc1ccc(-c2noc(-c3ccccc3C(=O)NC3CCCCC3)n2)cc1 5575729 GIZMDAJHWHCRRZ-UHFFFAOYSA-N 361.445 4.775 0 40 FJAB CCOc1ccc2nc(SCCCC(=O)c3ccc(F)cc3)[nH]c2c1 6028570 NAZZRZAQLLULDQ-UHFFFAOYSA-N 358.438 4.856 0 40 FJAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c(C)c1 6785670 WXJUSOWWWCLLOH-UHFFFAOYSA-N 361.441 4.645 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 8161679 SRZKWNPMSZZRBR-PKOBYXMFSA-N 368.477 4.523 0 40 FJAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccco2)cc1 9306249 ZAWJAGAFPQOQSX-FQEVSTJZSA-N 373.412 4.638 0 40 FJAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 10110583 DKYFJVCCFXZOQN-KRWDZBQOSA-N 359.897 4.782 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cc(F)cc(F)c3)s2)cc1 10666312 WNHRDYSHVDDGEZ-UHFFFAOYSA-N 374.412 4.869 0 40 FJAB Cc1ccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(F)c1 11248415 QIXKIAQURSLQST-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB CCCOc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 11916557 LNEZLDHRYZMJRP-UHFFFAOYSA-N 352.459 4.779 0 40 FJAB Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 12872311 BPAOQYLTOUXPAL-LJQANCHMSA-N 357.885 4.607 0 40 FJAB CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12920644 BQLTXGJNGDEZRA-IBGZPJMESA-N 351.446 4.559 0 40 FJAB c1ccc(CCCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13691420 GAYXARVGTDEUML-UHFFFAOYSA-N 371.469 4.576 0 40 FJAB CCc1n[nH]c(Sc2nc(-c3cccs3)nc3sc(C)c(C)c23)n1 14248560 KWJVMAUWJCTAFK-UHFFFAOYSA-N 373.532 4.868 0 40 FJAB Cc1ccc(NC(=O)CNc2cccc3c2CCCC3)c(Br)c1 15123176 YDWRICJDMNELLH-UHFFFAOYSA-N 373.294 4.687 0 40 FJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-c2ccccc2)cc1 15614649 DTYPTQPXTWSLNE-UHFFFAOYSA-N 356.425 4.733 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1 15825439 FAGVPHOFUPPOTB-UHFFFAOYSA-N 371.893 4.624 0 40 FJAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1 17155076 DZCNHOVGSXRKMX-GYHWCHFESA-N 371.465 4.557 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 26950993 MSBHQVRYUZDDMT-UHFFFAOYSA-N 370.924 4.575 0 40 FJAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 30116075 RMCCFRGSRBSINA-VIFPVBQESA-N 371.742 4.579 0 40 FJAB CCN(Cc1ccccc1)Cc1nnc(-c2ccccc2Br)o1 32751308 PXUUWWBNEPTPEX-UHFFFAOYSA-N 372.266 4.521 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 36620638 VMHRAMSBDPDXRL-LJQANCHMSA-N 361.482 4.649 0 40 FJAB C[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@H]2CCCC[C@@H]21 37501963 FQIVCERLPVIKBJ-KFNAQCHYSA-N 354.263 4.629 0 40 FJAB CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2C(C)C)C1 40133747 ZHYBILUZCWBSKG-SFHVURJKSA-N 373.541 4.702 0 40 FJAB Oc1nc(CN(Cc2ccco2)C2CCCC2)nc2c1oc1ccccc12 53139772 BNYYAFNQQIRPGK-UHFFFAOYSA-N 363.417 4.619 0 40 FJAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](C)C2)c1 58433779 HZXYUNDGDMOWKA-SFHVURJKSA-N 359.473 4.720 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 64982635 GNDAIHLGWKNCOB-SFHVURJKSA-N 352.478 4.700 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2cccc(SC)c2)cc1Cl 71761400 OZFXBKPXGCGEKZ-UHFFFAOYSA-N 368.911 4.888 0 40 FJAB COc1ccccc1CNc1ncccc1-c1nc(-c2ccc(C)cc2)no1 72242793 REDQKBBLOGZOQE-UHFFFAOYSA-N 372.428 4.728 0 40 FJAB C[S@@](=O)c1ccc(CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 91377279 OPZPPYUQQSQXAT-JPYJTQIMSA-N 368.329 4.972 0 40 FJAB CCCOc1ccc([C@H](C)N[C@H](C)c2nc3c(s2)CCC3)cc1OC 95450982 CQRSEBAIKAJALC-UONOGXRCSA-N 360.523 4.841 0 40 FJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)C1 100283449 XGZUOJSRRGIHTF-VGSWGCGISA-N 366.461 4.573 0 40 FJAB Cc1ccccc1NC(=S)NC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 100871886 WZYIKJFOERHOFK-LDEVPTQISA-N 356.535 4.805 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103067501 VYZOCEONWSXNJT-QAQJPARQSA-N 352.305 4.577 0 40 FJAB CC(C)c1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106757346 ZMOYTYIUDMNBAU-RGEXLXHISA-N 367.470 4.925 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222583458 OTPPTHJCDHJYBI-UHFFFAOYSA-N 371.799 4.505 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3)N21 222705028 PDBAWXFILPMOHI-ZLGUVYLKSA-N 374.513 4.852 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222977069 KNEWEABDBQHAAZ-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)ccc3C)c(C)n2)cc1 223141182 OIVXESCCPCXIIC-UHFFFAOYSA-N 367.836 4.675 0 40 FJAB CCc1ccc(CC)c(CNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 223181836 JCUHUWGODHPYNA-UHFFFAOYSA-N 359.897 4.777 0 40 FJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1 224884245 ACHYUTGYCWJTCP-UHFFFAOYSA-N 371.234 4.675 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2Cl)cc1OCC 225000924 UKQJWBKPUBTSRO-CQSZACIVSA-N 361.869 4.937 0 40 FJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(F)c(Cl)c1 225396400 YKCNEIKZZHWAFT-UHFFFAOYSA-N 366.889 4.797 0 40 FJAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(NN)nc12 226309310 CZRBLAZXHQHDHM-UHFFFAOYSA-N 374.469 4.810 0 40 FJAB NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226333997 FWFUVNIDIMHOPW-QHHAFSJGSA-N 356.636 4.724 0 40 FJAB Cc1ccccc1CCC(=O)N1CCC(Oc2cccc3cccnc23)CC1 238828505 FIJIWNNFYBJERL-UHFFFAOYSA-N 374.484 4.546 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccccc3F)sc1CC2 409055522 ZCRYBSKWDVZEMN-UHFFFAOYSA-N 368.433 4.617 0 40 FJAB O=C(c1cnc(O)c2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 530334639 KQRZYKJQBFBWKL-VLCRHTCISA-N 372.468 4.739 0 40 FJAB O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CC[C@@H](Cc2ccccc2)C1 1680513510 ZSRMEDKCSWBVCX-CUWPLCDZSA-N 368.908 4.860 0 40 FJAB c1ccc([C@@H]2N=C(c3ccc4cccnc4n3)O[C@@H]2c2ccccc2)cc1 1911947631 JIAZQMUSVIVHCY-LEWJYISDSA-N 351.409 4.889 0 40 FJAB Cc1ccccc1Cc1nnc2sc(-c3ccccc3C(F)(F)F)nn12 632633 PDRNHYYQMVBAJQ-UHFFFAOYSA-N 374.391 4.771 0 40 FJAB O=C(Cc1cccs1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 682262 KCRQEJMSXFAKNB-UHFFFAOYSA-N 355.846 4.814 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 940117 SKNDZXYCFGPRMP-UHFFFAOYSA-N 373.452 4.901 0 40 FJAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2)cc1 2371624 YAAYRNWARXLNIC-QFQXNSOFSA-N 373.433 4.696 0 40 FJAB O=C(CSc1nnc(Nc2ccccc2)s1)c1c[nH]c2ccccc12 2644008 BSWQHBVWZPAOBU-UHFFFAOYSA-N 366.471 4.738 0 40 FJAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2cccc(Cl)c2)cc1 3272541 LUEYXGLCHYYEEA-UHFFFAOYSA-N 374.864 4.833 0 40 FJAB COc1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 4616753 HZILVTUACHPJFN-UHFFFAOYSA-N 364.879 4.689 0 40 FJAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1cccc(O)c1 4899283 NVEQCQTZUQHGFW-BUHFOSPRSA-N 354.409 4.570 0 40 FJAB O=C(NCc1ccc(F)cc1)c1cc2sccc2n1Cc1ccccc1 4971021 VDFIYUYLMCJRBZ-UHFFFAOYSA-N 364.445 4.820 0 40 FJAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cs1 5089952 GVQSIYJASITVJM-UHFFFAOYSA-N 364.879 4.573 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ccnc2cc(C(F)(F)F)ccc12 5520750 JENHTRLSPIMMOL-UHFFFAOYSA-N 360.335 4.580 0 40 FJAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6038248 FRQHWZRFAQVAKV-UHFFFAOYSA-N 374.440 4.788 0 40 FJAB Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C)cc1 6426714 ACQYJFNMKWRNJI-UHFFFAOYSA-N 359.882 4.648 0 40 FJAB Cc1sc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c(=O)c2c1C 6953203 CEVUJNXTUQLHLL-BQYQJAHWSA-N 350.365 4.791 0 40 FJAB Cc1cc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)c2ccccc2n1 7002060 JDLZDWZXFIBLMI-UHFFFAOYSA-N 371.440 4.703 0 40 FJAB c1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)cc1 7615952 OGEUPOMACAJBBP-UHFFFAOYSA-N 365.392 4.969 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 8587058 DJAKEOXPRDMTQN-IBGZPJMESA-N 358.869 4.992 0 40 FJAB O=C1[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 9425895 OGHYAEQLPCICKY-APICVLMZSA-N 367.448 4.769 0 40 FJAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccnc1 10127745 XMYCBUYDVULTFM-UHFFFAOYSA-N 369.380 4.550 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)COc1ccccc1-c1ccccc1 11230178 KNWGYHACEFLWMM-UHFFFAOYSA-N 373.452 4.720 0 40 FJAB Cn1/c(=N\C(=O)c2sc3ccccc3c2Cl)sc2ccccc21 11666926 JPEDKLFEHORIKC-HTXNQAPBSA-N 358.875 4.849 0 40 FJAB Cc1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)sc1C 12188139 GAAOTBUDYZBFDS-GOSISDBHSA-N 350.487 4.933 0 40 FJAB Cc1c(CNC2(c3ccccc3F)CCCC2)cnn1Cc1ccccc1 12344232 GUAGCEWQHIRFRD-UHFFFAOYSA-N 363.480 4.938 0 40 FJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1c(F)cccc1Cl 12560342 IUSYHNCPSAZICO-UHFFFAOYSA-N 357.816 4.808 0 40 FJAB C[C@H](N[C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc2ccccc2c1 12997272 QDNXSCPPJLPWLD-UONOGXRCSA-N 354.400 4.796 0 40 FJAB C[C@@H](Nc1ncc(-c2ccccc2F)c(-c2nccn2C)n1)c1ccccc1 19459498 PBCCROAIXQFMTG-OAHLLOKOSA-N 373.435 4.856 0 40 FJAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)n1 19573008 DQCALKQWPQCQPO-UONOGXRCSA-N 359.857 4.728 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577050 MSHFVURPVSFGFK-UHFFFAOYSA-N 356.441 4.857 0 40 FJAB CSc1ncc(C(=O)Nc2cccc(Cl)c2F)n1-c1ccccc1 23260354 HMEDKUAKNLKKDV-UHFFFAOYSA-N 361.829 4.639 0 40 FJAB O=C(c1cc(F)ccc1Br)N1CCC(c2ccccc2)CC1 25520951 URBKJEOGRPEMID-UHFFFAOYSA-N 362.242 4.608 0 40 FJAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CCC(C(F)(F)F)CC1 27896035 PCEUGTSLQMYFDH-UHFFFAOYSA-N 368.424 4.969 0 40 FJAB Cc1ccc(NC(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 28579714 KQJCAGDHMLAMTP-UHFFFAOYSA-N 358.804 4.676 0 40 FJAB CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 32610614 RJJPCDGJGJYFRL-IBGZPJMESA-N 365.452 4.820 0 40 FJAB FC(F)(F)c1cccc(NC(=S)Nc2ccc(-c3c[nH]cn3)cc2)c1 32745072 GXHKXUSTLBSSJE-UHFFFAOYSA-N 362.380 4.904 0 40 FJAB COc1ccc([C@@H](Nc2cccc(C)c2)C(=O)NC2CCCCC2)cc1 35311033 FAXUFYFDILNRLE-OAQYLSRUSA-N 352.478 4.606 0 40 FJAB O=C(NCc1cccnc1)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 40151216 HMBSVAGEHOVZLA-UKTHLTGXSA-N 365.436 4.730 0 40 FJAB COc1ccc2oc(C(=O)Nc3cccc(Cl)c3N(C)C)c(C)c2c1 48250833 YBYXTJPFPUCLSO-UHFFFAOYSA-N 358.825 4.722 0 40 FJAB O=C(NCc1cccc2cccnc12)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 68746094 OGWVBVLVVCEEBN-QZTJIDSGSA-N 370.374 4.674 0 40 FJAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccccc1F 70461139 AHTMXOHGOOEHBO-LJQANCHMSA-N 355.796 4.813 0 40 FJAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 72348614 XVMFMWQWUULZNI-FQEVSTJZSA-N 372.468 4.777 0 40 FJAB CCOc1ccc(F)c(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1F 89991056 FBGXEYLEJLTFIG-UHFFFAOYSA-N 369.371 4.754 0 40 FJAB COc1cc(C(=O)OCC=C(C)C)nc2c(OCC=C(C)C)cccc12 138481169 PBLQSFOIWOTFNY-UHFFFAOYSA-N 355.434 4.711 0 40 FJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1 222558365 LFAXDUKIFROEKD-UHFFFAOYSA-N 357.335 4.723 0 40 FJAB CCC1(CC)C[C@H](NC(=O)c2ccc(OC)c(C)c2)c2ccccc2O1 223701631 DBVZTJAUEVBAMD-SFHVURJKSA-N 353.462 4.816 0 40 FJAB O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC(Cc2ccccc2)CC1 224067925 APPBDJGRBCLRNW-UHFFFAOYSA-N 364.420 4.576 0 40 FJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCC2)cc1 224094823 GGWACVLIEOPPHN-UHFFFAOYSA-N 371.484 4.521 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225462755 PTNQIGFKQCPJHA-GFCCVEGCSA-N 361.898 4.677 0 40 FJAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 257232804 GMMHHNCRBYTWGS-INIZCTEOSA-N 355.457 4.635 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1)c1ccccc1 260692634 MHCLYIVERFPWKK-HZPDHXFCSA-N 354.523 4.508 0 40 FJAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 390830380 KRPJDWXFXKXXKN-ZDUSSCGKSA-N 360.445 4.627 0 40 FJAB Cc1ccc(NCc2cnc(-c3ccncc3)s2)cc1Br 552522919 MLNOVXICUMYRKT-UHFFFAOYSA-N 360.280 4.888 0 40 FJAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1C1CCCCC1 906677 XTCQNZVHAPYVOD-OAHLLOKOSA-N 372.538 4.773 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCCC1 1096032 XONZFSMOMHDTAJ-UHFFFAOYSA-N 365.260 4.855 0 40 FJAB CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1346850 JRJPDOMQZKYNQO-GOSISDBHSA-N 371.868 4.537 0 40 FJAB CCCc1ccc(OCCCC(=O)Nc2cccc(C(=O)OCC)c2)cc1 1787213 XNLMPKNUSOJCBU-UHFFFAOYSA-N 369.461 4.614 0 40 FJAB O=C1CCCc2cc3c(cc21)C[C@]1(C3)Cc2ccc3c(c2C1)C(=O)CCC3 1855337 TZRYGLPJFSJEOS-RUZDIDTESA-N 356.465 4.608 0 40 FJAB O=C1O[C@H](C(=O)Nc2ccc(/C=C/c3ccccc3)cc2)Cc2ccccc21 1887414 KQHAFLRWOLGSGE-NEQMZLFVSA-N 369.420 4.577 0 40 FJAB Cc1ccccc1OCCCn1cc(C=O)c2cc(Br)ccc21 2178253 AMAYSJXOPDVJAU-UHFFFAOYSA-N 372.262 4.994 0 40 FJAB CCCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 2334892 XXASRVKOYRDMBK-UHFFFAOYSA-N 362.408 4.776 0 40 FJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 2782855 GSSQIWWORRLKRB-VXGBXAGGSA-N 360.177 4.614 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2c(F)c(F)c(F)cc2s1 3375954 FAQFXFQIMFSQGJ-ZZXKWVIFSA-N 352.312 4.505 0 40 FJAB CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccccc1 3501311 XNUXHWHEFAEUNK-UHFFFAOYSA-N 352.488 4.867 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc1 3625372 OUHVWLRZZLLWNT-UHFFFAOYSA-N 358.441 4.862 0 40 FJAB COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(C)cc32)cc1 4129764 NMAOFWMBQHAMRT-UHFFFAOYSA-N 359.404 4.577 0 40 FJAB Fc1ccc2nc(Nc3nc4cc5c(cc4s3)OCCO5)sc2c1 4137839 QSOMZIBTZRYYGF-UHFFFAOYSA-N 359.407 4.560 0 40 FJAB aggregator COc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1OC 4601824 MZWBOMYUHCRTEK-UHFFFAOYSA-N 373.456 4.823 0 40 FJAB CC(=O)c1cnn(-c2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)c1C 5346994 VPVPHYDPQLZMSX-UHFFFAOYSA-N 370.412 4.633 0 40 FJAB CCOC(=O)N(CCN(C(=O)OCC)C1CCCCC1)C1CCCCC1 5829961 BYPRYVNTTQMPRC-UHFFFAOYSA-N 368.518 4.569 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)CCSc2ccc(C)cc2)c1 6477485 FIYBYBWQHFUMQF-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB Cc1oc(C)c2c(=O)cc(-c3cccs3)cc(OC(=O)c3ccco3)c12 6760098 HBEWIRVZROQVQD-UHFFFAOYSA-N 366.394 4.951 0 40 FJAB Cn1nc(-c2ccccc2)c([C@@H](O)c2ccccc2C(F)(F)F)c1Cl 6925450 JSFSSDXOQKVJHV-INIZCTEOSA-N 366.770 4.841 0 40 FJAB COc1ccc(C(=O)CCNc2ccc(OCc3ccccc3)cc2)cc1 8782985 AHOYWXCCOAGXPS-UHFFFAOYSA-N 361.441 4.959 0 40 FJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(Cl)ccc2o1 9306108 RSBAEABLHUAMBY-GFCCVEGCSA-N 352.821 4.929 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1Cl 9992057 SDWHFYCCDDAWNZ-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCc2ccccc21 12409045 AZFJANMUDBCLDR-UHFFFAOYSA-N 354.862 4.975 0 40 FJAB O=C(NCC1CCCCC1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12696765 ILZSNFYMFQDEMY-UHFFFAOYSA-N 361.445 4.714 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCc1ccc2c(c1)OCCO2 12789227 JGYNMORXMSMNPZ-UHFFFAOYSA-N 373.880 4.807 0 40 FJAB Cc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1 12818181 DTSGJUNZVSIZOC-LBPRGKRZSA-N 350.487 4.804 0 40 FJAB S=C(NCCc1ccccc1)Nc1ccc(Br)c(Cl)c1 13840888 QQOBXGCWKQGAPM-UHFFFAOYSA-N 369.715 4.632 0 40 FJAB CCOC(=O)c1sc2nc(C)nc(Oc3ccc(F)c(F)c3)c2c1C 15172498 ZACCECGIERPNGD-UHFFFAOYSA-N 364.373 4.555 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(NC(C)=O)c1 20042705 AXKPCAKOALQLOU-NRFANRHFSA-N 362.429 4.594 0 40 FJAB CC(=O)c1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 22245369 GEJZDTOTHANWQS-UHFFFAOYSA-N 365.458 4.674 0 40 FJAB C[C@@H]1c2ccsc2CCN1C(=O)Cc1csc(-c2ccsc2)n1 25382391 VLOYVVFGBUBBKD-LLVKDONJSA-N 360.529 4.622 0 40 FJAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(SC(F)F)cc1 28942471 FLKYTNHLJQUESG-UHFFFAOYSA-N 361.772 4.811 0 40 FJAB O=C(COc1ccc2ccccc2c1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32089329 KVIAORLHEKGEBD-UHFFFAOYSA-N 370.452 4.891 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)oc2c1C(=O)CC(C)(C)C2 32932581 SGWUXYIUGBCSIX-DOMZBBRYSA-N 369.461 4.732 0 40 FJAB COC(=O)c1c(CCCc2ccc(Cl)c(Cl)c2)cccc1OC 35973498 GBMYUEDWLPWCAW-UHFFFAOYSA-N 353.245 4.964 0 40 FJAB Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1Cc1ccco1 37868446 WQBNHHQFZTZHSJ-UHFFFAOYSA-N 365.458 4.598 0 40 FJAB CCOc1ccc(Nc2cc(C(=O)OC)nc3ccc(Cl)cc23)cc1 38486598 QIECRLMDERWEGV-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1cc2ccccc2o1 39980649 NNKHKZDTKLMARO-SNVBAGLBSA-N 362.198 4.825 0 40 FJAB Cc1cc(N2CCC(C)CC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216719 QYLHWUVCNGJBEV-UHFFFAOYSA-N 354.885 4.903 0 40 FJAB CCc1ccc2c(c1)N[C@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)O2 40544795 FZTIKJBIIGKADD-JOCHJYFZSA-N 359.429 4.697 0 40 FJAB Cc1ccc(C)c(OC2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)c1 56571423 IIZXUXJLMAIRMX-UHFFFAOYSA-N 371.506 4.713 0 40 FJAB O=C(CCSCc1cccc(Br)c1)Nc1ccccc1F 57996554 MKWQIIDYYPNTJR-UHFFFAOYSA-N 368.271 4.850 0 40 FJAB Cn1ncc2c1CCC[C@H]2NCc1ccc(Oc2ccccc2F)c(F)c1 65890706 NAPBKVJUEVDSMU-GOSISDBHSA-N 369.415 4.658 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(N(CC)CC)nc1 71844378 KCKPDLAKDRADHN-NHCUHLMSSA-N 365.521 4.726 0 40 FJAB O=C(Nc1cccs1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 85436364 UYLUDCIYYGYVFM-UHFFFAOYSA-N 366.490 4.556 0 40 FJAB O=C(c1nccc2ccccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166364 VRMVVODKAOTBEN-WOJBJXKFSA-N 360.432 4.925 0 40 FJAB COCCn1c(-c2ccc(Cl)s2)cs/c1=N/c1ccccc1 105756234 XAGXTBYTNDUKRK-FBMGVBCBSA-N 350.896 4.810 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccc(SC(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107450072 YTDPRMKIDRNKTG-VAIKHHIQSA-N 351.462 4.955 0 40 FJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C(C)C 222915466 BLXYMHPEQKJSOF-WOJBJXKFSA-N 370.566 4.709 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223472812 GLPWPVXTDWTDQX-MJGOQNOKSA-N 355.478 4.655 0 40 FJAB CCOc1ccc(CCC(=O)NC(C)(C)Cc2ccccc2)cc1OCC 224145777 YITOTXCOMHAWHX-UHFFFAOYSA-N 369.505 4.554 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225091616 DSTBNHWZYOSMEO-KRWDZBQOSA-N 353.245 4.993 0 40 FJAB CCOc1ccccc1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C 225661438 PXZCJQOCWIQLLC-UHFFFAOYSA-N 369.505 4.888 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(-c2ccc(C(=O)O)cc2)n1 257343653 ZTWWYJLGKRODPU-SFHVURJKSA-N 368.433 4.519 0 40 FJAB C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(F)cc1 554354680 MPKGFROHENSFEI-LBPRGKRZSA-N 354.347 4.939 0 40 FJAB CCc1nc(SCC(=O)c2ccccc2F)c2c(C)c(C)sc2n1 1372155 PTNNCWOMWKWCEU-UHFFFAOYSA-N 360.479 4.985 0 40 FJAB Brc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 2420642 OVWWEQXQIVUQEP-UHFFFAOYSA-N 363.284 4.663 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Oc1ccc(Br)cc1Cl 3367098 VSGGVPRPPAPFAL-UHFFFAOYSA-N 364.626 4.732 0 40 FJAB O=C(NCc1ccccc1)/C(=C/c1ccc(F)cc1)c1nc2ccccc2[nH]1 5071188 BWCUUFGSPWFJEW-XMHGGMMESA-N 371.415 4.559 0 40 FJAB Cc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)c(C)c1 5112092 REQSHIWDPMGDTB-GXDHUFHOSA-N 368.436 4.879 0 40 FJAB COc1ccc(CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 5625622 IJRSEIDLNQDTRP-UHFFFAOYSA-N 355.869 4.605 0 40 FJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCCOc3ccccc3)c2C1 5938140 ADCKTMDWQNLNNA-MRXNPFEDSA-N 361.441 4.595 0 40 FJAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)N3C(=O)CSC3=N2)cc1 6204412 KNQYUOKPQJPHSL-KRWDZBQOSA-N 354.862 4.676 0 40 FJAB O=C1/C(=C\Nc2ccccc2)c2ccccc2C(=O)N1c1cccc(Cl)c1 6529080 FLHPMZQWNZWPBJ-ZHZULCJRSA-N 374.827 4.980 0 40 FJAB O=C(/C=C/c1cccc(F)c1)OCc1csc(-c2ccc(F)cc2)n1 6642921 AMGAFLPBFCKBOP-RUDMXATFSA-N 357.381 4.845 0 40 FJAB CC(C)(CO)NC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 6906545 CWAHUGWLTDOVLJ-UHFFFAOYSA-N 370.452 4.556 0 40 FJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(Br)c1 7052624 RULXXYFWWHBCAT-CMDGGOBGSA-N 372.671 4.515 0 40 FJAB O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 9578514 VMQQRDDOUIPTST-UHFFFAOYSA-N 365.816 4.854 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(s1)CCCCCC2 11656796 GDCPUVMIBGFYNH-UHFFFAOYSA-N 372.490 4.626 0 40 FJAB CSCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12894425 QYUZXTJALYKHQE-UHFFFAOYSA-N 358.488 4.505 0 40 FJAB C[C@H]1CCCCN1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13038818 HADOUBDXBWJAHO-JTQLQIEISA-N 368.321 4.537 0 40 FJAB CC(C)(C)N(Cc1cc2ccccc2nc1O)C(=O)c1ccccc1F 13479895 GFAFFMRZLCHYCQ-UHFFFAOYSA-N 352.409 4.520 0 40 FJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CCc4ccccc43)c12 22322296 YYNQPZCSRGMOAP-LJQANCHMSA-N 369.424 4.616 0 40 FJAB Cc1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 23253770 KPNOZWCKPABFIJ-UHFFFAOYSA-N 356.513 4.902 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)cc1 28229155 DYBAGBISOJLBLI-UHFFFAOYSA-N 351.425 4.620 0 40 FJAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(Cl)s1 33192457 AOQRXBCYESGUNV-SSDOTTSWSA-N 362.651 4.794 0 40 FJAB O=C1C(O)=C(c2ccc(F)cc2)[C@@H](c2ccccc2)N1Cc1ccccc1 40485792 HJIWNLKTARJLST-OAQYLSRUSA-N 359.400 4.879 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 44843842 XMMVXTDAXKJMGV-NRFANRHFSA-N 355.478 4.564 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 48251420 UCQPQVMQYLJYNC-UHFFFAOYSA-N 355.463 4.517 0 40 FJAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2nsnc2c1 57313392 WCBDWJWJYRRUOP-UHFFFAOYSA-N 372.409 4.752 0 40 FJAB CC(=O)Nc1cccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)c1 63691351 QTPYFSNSVAJFTE-UHFFFAOYSA-N 370.452 4.728 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ccc(OC(F)(F)F)cc1 72064064 ILLITKBOFGHMEJ-UHFFFAOYSA-N 374.156 4.529 0 40 FJAB Cc1c(C(=O)N2CCOC[C@@H]2c2ccccc2)oc2ccc(Cl)cc12 72303766 YZGMPHSZNIVZMT-QGZVFWFLSA-N 355.821 4.608 0 40 FJAB Cc1cc(C)n(CC2CCN(Cc3csc(-c4ccccc4)n3)CC2)n1 85436408 WCSDEHSUXVUTGO-UHFFFAOYSA-N 366.534 4.536 0 40 FJAB O=C(CSC(=S)N1CCCC1)c1cc2c(c3c1CCCC3)CCCC2 96191901 FMJZBNSCYGWYDA-UHFFFAOYSA-N 373.587 4.741 0 40 FJAB COc1cccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c1 102726087 BKCFJSFARSJNEX-UHFFFAOYSA-N 363.442 4.585 0 40 FJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1c(F)cccc1Cl 215155328 IVWATBNMFQXPCQ-OVCLIPMQSA-N 365.788 4.855 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F 224829346 VQRNAADQZIZDLF-LBPRGKRZSA-N 367.873 4.598 0 40 FJAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccco1 225369826 XHYDNRFEFFPBKF-UHFFFAOYSA-N 358.290 4.569 0 40 FJAB Cc1cc(NC(=S)NC2CCCCCCC2)ccc1N1CCCC1=O 225518169 BWIFERQDZUFUPI-UHFFFAOYSA-N 359.539 4.521 0 40 FJAB CCc1ccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)cc1 225530718 NGRVCMYXSNWGCT-UHFFFAOYSA-N 358.507 4.531 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2nc(Cc3ccc(Cl)cc3)oc2c1 226271119 PMWCQAZJHDGZDE-UHFFFAOYSA-N 368.742 4.597 0 40 FJAB COc1ccc(Cl)cc1C(=O)N[C@H](c1ccsc1)c1cccs1 390826393 JTVIQKXBLFISOF-MRXNPFEDSA-N 363.891 4.991 0 40 FJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)NC12CC3CC(CC(C3)C1)C2 618254896 GKATZAJAMHSBLM-CARYKQCGSA-N 370.518 4.741 0 40 FJAB CN(C)[C@@H](CNC(=O)Nc1ccccc1Cl)c1csc2ccccc12 618257394 VMKQFVVOMPXWLN-KRWDZBQOSA-N 373.909 4.979 0 40 FJAB CO[C@H](C)CN(Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(C)C 1167443665 ZIEKSTKNUZRHRX-GFCCVEGCSA-N 357.281 4.894 0 40 FJAB CC(C)(CO)[C@H](CNCc1cccc(CC2CCC2)c1)c1ccccc1 1650806852 AMQPQBGBOFPZGM-HSZRJFAPSA-N 351.534 4.921 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1C 646317 IBBCKYPOQLUXND-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Br)cc2)cc1 656327 DJTSPBYCEAOPJV-MAUPQMMJSA-N 358.279 4.902 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)NCc1cccs1 1340031 WZQSQKRFOIHSJV-UHFFFAOYSA-N 356.516 4.576 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)C1=Cc2cc(Cl)ccc2OC1 1391447 IVNBMNRXZMRHAB-UHFFFAOYSA-N 353.727 4.773 0 40 FJAB Cc1ccccc1OCCCC(=O)Nc1nnc(C2CCCCC2)s1 1903832 CUEGZMXPJNMRFJ-UHFFFAOYSA-N 359.495 4.692 0 40 FJAB CN(C)CC[C@H](OC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 2263544 QQQXFWAXWQGHDM-NRFANRHFSA-N 351.490 4.735 0 40 FJAB O=C(CSc1ccc(Br)cc1)NC1CCCCCCC1 3233880 KMOVEVUQOWEXEP-UHFFFAOYSA-N 356.329 4.770 0 40 FJAB Clc1ccc(-c2onc3sc(I)cc23)cc1 3407914 NGXUQCQVYSRUKD-UHFFFAOYSA-N 361.591 4.814 0 40 FJAB COc1ccc2c(c1)-c1nc(NC(=O)c3cccc(Cl)c3)sc1CC2 3651741 MSYHNFLFCOBYBK-UHFFFAOYSA-N 370.861 4.823 0 40 FJAB Cc1ccc([C@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)o1 4085565 LUHJHVPLHDFGIU-VGOFRKELSA-N 354.409 4.760 0 40 FJAB biogenic Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(F)cc1 4105034 RSYCVSSYHADZNQ-UHFFFAOYSA-N 362.763 4.512 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 4348603 WELCZAVEUONBDZ-UHFFFAOYSA-N 354.431 4.575 0 40 FJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(Cl)c(Cl)c1 4696184 SLXQDZCMVYOYGQ-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB Clc1ccc(OC[C@@H]2CO[C@H](c3ccc(Br)cc3)O2)cc1 4782728 BYCGUPJLPVVBJI-CVEARBPZSA-N 369.642 4.596 0 40 FJAB CCCCCCC(=O)Nc1ccc(OC(=O)CCCCCC)c(=O)cc1 4900211 JICTXKWTWWUKEH-UHFFFAOYSA-N 361.482 4.832 0 40 FJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)s1 5259849 NJOQRUOGDQSKEY-UHFFFAOYSA-N 369.515 4.798 0 40 FJAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)NCc1ccccc1Cl 5498122 QWWADMXXRDGHOP-UHFFFAOYSA-N 364.832 4.670 0 40 FJAB CC(=O)CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 6652217 NWSIEKZLRPBFIC-UHFFFAOYSA-N 362.223 4.549 0 40 FJAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(F)cc1 7094372 SKDNHTGKIHEMOB-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccc2cccnc12 7735112 YAXWCVLNQIXSFZ-UHFFFAOYSA-N 363.417 4.679 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccco2)cc1 7752813 QNHCPDQSKUFEDP-UHFFFAOYSA-N 374.440 4.686 0 40 FJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(F)cc1F 7968375 XNUMLAIPUKEWDQ-UHFFFAOYSA-N 357.356 4.607 0 40 FJAB O=C(c1ccc(COc2ccccc2)o1)N1CC=C(c2ccccc2)CC1 7986782 RBGRDDSCZHBJIT-UHFFFAOYSA-N 359.425 4.788 0 40 FJAB Cc1cccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)c1 8414550 TXLXYVQLUOXULE-UHFFFAOYSA-N 372.415 4.868 0 40 FJAB O=C(NCc1cccnc1)c1sc(-c2ccccc2)nc1-c1ccccc1 11149579 RTRJGVPPNLYDPG-UHFFFAOYSA-N 371.465 4.802 0 40 FJAB CCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2c(ccc4ccccc24)O3)cc1 11536122 MGJNWRJKZNFKIP-UHFFFAOYSA-N 370.408 4.685 0 40 FJAB Cc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)sc2c1 11915198 JOVGRTRXVQCPED-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB O=C(NCC(c1ccccc1)c1ccccc1)c1ncoc1-c1cccs1 12115119 ZPQKEAXEVKRHDU-UHFFFAOYSA-N 374.465 4.965 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12992837 GEZBBWCZNDUHQD-QNCMIEPLSA-N 361.850 4.557 0 40 FJAB Cc1cc2nc([C@@H]3CCCN(C4CCCCC4)C3)cc(C(F)(F)F)n2n1 13226823 XVASHKJSVAUYCK-CQSZACIVSA-N 366.431 4.569 0 40 FJAB Cc1nc2cc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)ccc2o1 14241486 BHICGDDPPJMAKJ-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2ncc(Cc3ccccc3)s2)c(C)c1 15323344 DQLMZHSKJJEBMF-UHFFFAOYSA-N 366.486 4.677 0 40 FJAB CCOc1cccc(CNC(=O)c2ccccc2OCc2ccccc2)c1 22531711 SSKVGZHSYOKBLW-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccs1 22687801 WLIOYQNSHOJQQL-LBPRGKRZSA-N 364.923 4.649 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1cccnc1SCC(F)(F)F 25895787 OUMZYWQWCKQWPW-UHFFFAOYSA-N 369.393 4.598 0 40 FJAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3ccc(C)c(C)c3)oc2c1 27989989 FJRJUDNLGKIGCD-UHFFFAOYSA-N 361.401 4.969 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1ccccc1N1CCc2ccccc21 31532342 WMGUCVKGVXIIJL-UHFFFAOYSA-N 369.424 4.703 0 40 FJAB CCc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39755302 VTHHOUISBSTBFN-UHFFFAOYSA-N 374.887 4.892 0 40 FJAB O=C(Nc1cccc(Oc2ncccn2)c1)N1CCC[C@@H]1c1ccsc1 40105553 MHZORPOZMJZJQU-QGZVFWFLSA-N 366.446 4.699 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc(C)c1Cl 44841176 IAVFEQCGVHMUFK-HNAYVOBHSA-N 357.881 4.918 0 40 FJAB COc1cc([C@@H](C)NC(=O)CCc2ccsc2)ccc1OC1CCCC1 48339782 RTVWMLACADOMJV-OAHLLOKOSA-N 373.518 4.888 0 40 FJAB CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215342 HHUANXNQLOALAU-GOSISDBHSA-N 359.514 4.921 0 40 FJAB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 72288999 ULMWTCMMNYJPOQ-SFHVURJKSA-N 360.885 4.954 0 40 FJAB COc1cccc(-c2cncc(C3CCN(C4CCCCC4)CC3)n2)c1 72359262 ORAYPAOZHFTBCV-UHFFFAOYSA-N 351.494 4.664 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](C(F)(F)F)SC1 79502097 ZIMXYZUTBBTAMC-GFCCVEGCSA-N 363.405 4.812 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccccc21 96222937 BYBPXTXXDSGLSQ-NRFANRHFSA-N 357.457 4.776 0 40 FJAB biogenic O=C(Nc1nc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cs1)c1ccco1 101042920 DTNJWCAQJQNSCX-VCKYCXPWSA-N 362.882 4.818 0 40 FJAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104107211 DLWXGTJVRQFBPX-DFHZNHDVSA-N 372.559 4.990 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222627335 NNTBLHCPUHCPHG-GOSISDBHSA-N 371.820 4.579 0 40 FJAB Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)ccc1Cl 223908965 GMIUBSNTZCTLEC-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1Cl 225446251 FTIVGMAYMMLEBS-UHFFFAOYSA-N 364.898 4.622 0 40 FJAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(-n2cccc2)cc1 225646619 HENSWYNXCMNPBM-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB COc1ccccc1NC(=O)NCCSCc1c(F)cccc1Cl 225766279 KGEYLJHVKPNQHL-UHFFFAOYSA-N 368.861 4.543 0 40 FJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)nc1 225906410 XMIFAPKPJJTSGV-UHFFFAOYSA-N 350.503 4.676 0 40 FJAB COc1ccc(CNC(=S)c2ccccc2OCc2ccccc2)cc1 408578585 ZASJVCMMFCFSOR-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB O=C(c1cccc2ccccc12)N1CCC[C@H](N2CCc3ccccc3C2)C1 408609867 PFEMAEAEHPLAJH-QFIPXVFZSA-N 370.496 4.503 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2C)c(OC)c1 408823529 DVOCOBBPHPOMPR-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 409103231 XMSZIDMRHJQUGD-XDHOZWIPSA-N 362.454 4.746 0 40 FJAB CSc1ccccc1C(=O)NCCSCc1ccccc1Cl 409410007 SLNDJNHMXWQXGG-UHFFFAOYSA-N 351.924 4.725 0 40 FJAB O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)cc1O 409412000 PJZLSHPJVJKXJL-UHFFFAOYSA-N 372.671 4.539 0 40 FJAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1cccc2c1COCC2 585102521 ZOTBSURBYGKOLL-HXUWFJFHSA-N 350.462 4.745 0 40 FJAB O=C([C@H]1C[C@H]1C1CCCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 650066828 QKEMFABXHCKUJU-KBPBESRZSA-N 372.456 4.694 0 40 FJAB CN(C)c1ccc2c(n1)C[C@@H](c1ccccc1)c1cnn(-c3ccccc3)c1-2 978753 WAAJFEVZUHOEDZ-FQEVSTJZSA-N 366.468 4.688 0 40 FJAB Cc1ccc2c(N)c(C(=O)Nc3cccc(Cl)c3Cl)sc2n1 1472258 HQILJSPZMOHMRM-UHFFFAOYSA-N 352.246 4.746 0 40 FJAB Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 1617113 MWHUHOUWYYCZJK-UHFFFAOYSA-N 366.486 4.653 0 40 FJAB CC(C)Oc1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 2223627 MTRZTAUCBYTDQN-SFHVURJKSA-N 363.461 4.675 0 40 FJAB O=C(c1ccc(Cl)cc1)c1cn(Cc2ccccc2)c2ccccc2c1=O 2688229 ASCVWEQBPKZPMV-UHFFFAOYSA-N 373.839 4.934 0 40 FJAB Cc1ccc(-c2csc(=S)n2CC(=O)N2CCc3ccccc32)cc1 3352435 ZIJSTUFUUQMUAT-UHFFFAOYSA-N 366.511 4.844 0 40 FJAB O=C(NCc1cccs1)c1ccccc1-c1nc2ccccc2s1 3398722 VWDYFVIJGCKERN-UHFFFAOYSA-N 350.468 4.955 0 40 FJAB CC[C@H](C(=O)Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1 4033043 MDPRTJPMFPEUGZ-IBGZPJMESA-N 356.429 4.529 0 40 FJAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(N(C)C)cc4)sc32)s1 4134688 BZBKMEZYSLDUJE-UHFFFAOYSA-N 368.487 4.533 0 40 FJAB O=NN(C1CCCCC1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 5279840 DNDCAXHLEYVGFX-FPOVZHCZSA-N 350.418 4.688 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 5378394 AVWBMLBLABORKZ-UHFFFAOYSA-N 371.396 4.706 0 40 FJAB O=C(O[C@H]1CCCCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5627391 GTCLJYRCXUJGJA-HNNXBMFYSA-N 352.308 4.634 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4nc(C)sc4c3)cc2)n1 6790394 DVOARKNISGVWDS-UHFFFAOYSA-N 362.458 4.660 0 40 FJAB Cc1ccc(Sc2ccc(/C=C(\Sc3nnc(C)o3)C(=O)O)o2)cc1 7603678 KIQCBEQBWOXRFH-ZROIWOOFSA-N 374.443 4.648 0 40 FJAB CCN(CC)Cc1ccc(CNC(=O)c2oc3ccccc3c2C)cc1 7828755 WRJIIYUDRAQNNL-UHFFFAOYSA-N 350.462 4.513 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Oc1ccccc1 7842684 IECNKTWAFVIZKZ-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(OC)c2)cc1 7884520 SOGCAPJLIRPZCZ-QFIPXVFZSA-N 374.440 4.734 0 40 FJAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)ccc1F 7886526 ZYDYUUIASWFXSP-MRXNPFEDSA-N 363.230 4.565 0 40 FJAB O=S(=O)(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc(Cl)c1 9216678 VMUBTUGYRUEWST-AWEZNQCLSA-N 374.314 4.509 0 40 FJAB O=C(Nc1ccc(F)cc1F)N1CCC(CCc2ccc(O)cc2)CC1 10383192 OPXCTQZSRQRFOS-UHFFFAOYSA-N 360.404 4.547 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c1 12985170 WPSQPSMHRZIRTH-JKSUJKDBSA-N 367.493 4.890 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCCC2)cc1 13689674 NOSSUGDPRAALBS-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB O[C@@H]1CCCc2c(Oc3nc(C(F)(F)F)nc4ccccc34)cccc21 14140567 RHQDNGSCHOBZOH-OAHLLOKOSA-N 360.335 4.811 0 40 FJAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccc1Cl 23126027 SREQYGWLERZOJM-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 23148999 PKQCIGPBVPGPIJ-LLVKDONJSA-N 355.381 4.607 0 40 FJAB CCc1cc2c(Oc3cc4ccccc4cc3C(=O)OC)ncnc2s1 24058509 NPYRLXSZIPCCFI-UHFFFAOYSA-N 364.426 4.986 0 40 FJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1N1CCCCCC1 31097671 ZFIZTZOOCCFRIH-UHFFFAOYSA-N 362.477 4.515 0 40 FJAB O=C(NCc1cccc(CN2CCCC2)c1)Nc1cccc2ccccc12 31664284 XXYPHEIXMVNLIB-UHFFFAOYSA-N 359.473 4.757 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)cc1 32088396 MHMCEIUAWMIQQV-UHFFFAOYSA-N 363.804 4.724 0 40 FJAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C)c1 32609713 BBHLKLBSZGQXKM-NHCUHLMSSA-N 359.473 4.599 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2csc3c2CCCC3)cc1OC 32895148 ALJDFJUTFXLNCF-KRWDZBQOSA-N 371.502 4.621 0 40 FJAB CN1O[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C[C@H]1c1ccccc1 36383212 UJVUSHBJBUWIJI-HIFRSBDPSA-N 371.790 4.543 0 40 FJAB Cc1cccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1 36646427 GBUBIMDMSKVGHX-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB CCSc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 38584542 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Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCc2sc(Cl)cc21 520462392 NOHNYFLGJVMVOQ-QGZVFWFLSA-N 357.910 4.981 0 40 FJAB CNC(=O)[C@@H]1CCCc2sc(/C=C/c3csc(C(F)(F)F)c3)nc21 629075464 PDFZYFJHLCJHPR-BRAIEQGRSA-N 372.437 4.560 0 40 FJAB CCCC(CCC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1 692898 HPEBTGNQJSQXDN-UHFFFAOYSA-N 358.438 4.695 0 40 FJAB COc1ccccc1O[P@@](C)(=O)Nc1cccc(Br)c1 726707 GGAVBASRIWXGOJ-HXUWFJFHSA-N 356.156 4.772 0 40 FJAB COc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1OC 917124 YPHPVTWOEZYHMX-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB CCOc1ccc(Br)cc1/C=C/C(=O)N[C@H](C)c1ccccc1 941453 QDHWITWRPRSDIA-BRADTZPFSA-N 374.278 4.738 0 40 FJAB C[C@@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 1437113 NFAFGZCSZZBINO-MBSDFSHPSA-N 356.469 4.927 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1 1775919 SZBMIJBSLDKQFZ-UHFFFAOYSA-N 369.461 4.586 0 40 FJAB CCCOC(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 2069748 LJLVVAMOBPILFX-UHFFFAOYSA-N 370.445 4.779 0 40 FJAB CCOC(=O)c1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)ccc1O 2069825 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O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc(Cl)c(Cl)c1 7166736 UYBXNHAPPMFDRB-UHFFFAOYSA-N 353.293 4.725 0 40 FJAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 7370036 JBXQYOYWPTXSRA-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1 7917638 MUZKYZGKPGMNTJ-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2scnc2c1 10217484 AWUCPECHYCYSNH-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB CCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1C 11692512 WQMJUYUMSNKPJA-HXUWFJFHSA-N 352.478 4.956 0 40 FJAB COc1ccccc1C(=O)Nc1nc2ncccc2cc1-c1ccccc1 11695920 FWEOLBYACJOKGH-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB Brc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 12378077 YRUUEYSZHXNXDQ-UHFFFAOYSA-N 368.298 4.921 0 40 FJAB CC(C)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 12789102 QEXFCNCOWRIPEM-UHFFFAOYSA-N 367.445 4.573 0 40 FJAB COc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 12986087 BDNNHWIBBBKCRG-LBPRGKRZSA-N 367.276 4.905 0 40 FJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 13688417 VVFGJVVACDHKCZ-UHFFFAOYSA-N 358.441 4.683 0 40 FJAB Cc1ccc([C@H](Cc2ccsc2)NCc2cc3c(cc2C)OCO3)nc1 19215461 IHCNLUOPCIWXGA-IBGZPJMESA-N 366.486 4.562 0 40 FJAB Cc1ccc(CNC(=O)CCc2sc(C)nc2-c2cccs2)cc1 19933136 OBNAMXLIUYXLKR-UHFFFAOYSA-N 356.516 4.737 0 40 FJAB C[C@H](NC(=O)c1ccccc1Br)c1cccc(OC(F)F)c1 32931098 GWNPGYAONQBAJJ-JTQLQIEISA-N 370.193 4.542 0 40 FJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(F)c3)o2)cc1C 33572328 UFVKVFURUDPYOA-UHFFFAOYSA-N 368.433 4.829 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(C)C)CC1 39755165 QHCZVKBSGKHHIW-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@H]2CCCC[C@@H]21 40145727 AUMFJZHAGRXILY-OHOWAWRESA-N 373.802 4.542 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c3ccccc3c2c1 44781814 UHJXIPLZDQVJJK-UHFFFAOYSA-N 350.805 4.992 0 40 FJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(F)cc1)OCN(CC(C)C)C3 57176055 KDCYPYXDYUTLHY-UHFFFAOYSA-N 367.420 4.715 0 40 FJAB Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccco2)C4)cc1 57327482 MZGUPDXNZDNZLN-UHFFFAOYSA-N 373.408 4.714 0 40 FJAB Cc1cc(C)n(-c2nc3c([C@@H](O)c4ccccc4)cc(Cl)cc3s2)n1 57327694 KMKVTSXRCBSYBW-SFHVURJKSA-N 369.877 4.834 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 65003688 OWNHVBDBQHGVFE-CABCVRRESA-N 365.399 4.842 0 40 FJAB Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[C@H]1c1c(Cl)cccc1Cl 96011165 XNEWTZWYARDVME-GHMZBOCLSA-N 351.233 4.909 0 40 FJAB O=C(NCC1(c2cccs2)CCCC1)c1cc(Br)cs1 96120212 HDJMFFDNKMTKFM-UHFFFAOYSA-N 370.337 4.814 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1 101170515 DYVDQEAIUSQUSK-FXAWDEMLSA-N 356.466 4.884 0 40 FJAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Nc1cccc(F)c1 206721212 PSULOFVAZAZQBA-UHFFFAOYSA-N 352.369 4.669 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292225 PNDQNHMHBRIURA-KSSFIOAISA-N 373.880 4.834 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(SC)cc3)N21 222642291 HVRAVKJTYAOKJW-FHLIZLRMSA-N 355.532 4.783 0 40 FJAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 222726626 KOMLAIGUYVQHEI-HKWRFOASSA-N 374.440 4.560 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C 223421309 AADQHLKPPULCBP-KRWDZBQOSA-N 372.468 4.603 0 40 FJAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(C)c(C)c1 224294833 ATIBZDXZSPRWBG-UHFFFAOYSA-N 355.478 4.667 0 40 FJAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1cccnc1 225431050 KZUYYFRCBVRQDZ-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1Cl 225630614 JKLSGMHOJQNPGV-UHFFFAOYSA-N 357.837 4.648 0 40 FJAB COc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)c(C)c1 408811056 QMCHIATYEGOJCA-UHFFFAOYSA-N 373.885 4.728 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1Cc3ccccc3[C@@H]21 408995118 JDPLLLGJVIUSTD-SESVDKBCSA-N 359.400 4.995 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(-c2ccoc2)n1 519414698 QFWXCAHNGQGHOM-UHFFFAOYSA-N 354.309 4.554 0 40 FJAB COc1ccccc1-c1cc(CNc2nc3c(C)cccc3s2)on1 1642990314 SSIXCEFSXIPQGF-UHFFFAOYSA-N 351.431 4.880 0 40 FJAB CCOc1cc(-c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)ccc1OC 1772491209 NFCVDLKINZWSCH-LLVKDONJSA-N 370.474 4.596 0 40 FJAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1 1775966748 XEAIKHCBVBNTHE-IRXDYDNUSA-N 371.527 4.820 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 819605 KJZBAFPCYKTZCN-UHFFFAOYSA-N 360.413 4.590 0 40 FJAB COc1cccc(Nc2c(C(=O)O)cnc3c(C(F)(F)F)cccc23)c1 937677 WKLWAAXVVQSQGP-UHFFFAOYSA-N 362.307 4.704 0 40 FJAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@@H](C)C2 1088617 XHGXSUPOLCWCTL-CYBMUJFWSA-N 357.475 4.610 0 40 FJAB O[C@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(F)cc1 1615887 LHCBUQBFGUQNHB-SLXFGWRHSA-N 367.508 4.768 0 40 FJAB CCCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 2351805 UKVGILMWUKFDDC-UHFFFAOYSA-N 358.445 4.945 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](CC)C2 2767429 QFIATSQOALLINZ-LBPRGKRZSA-N 361.463 4.593 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3216484 XYPGOSQHNSHDAA-AWEZNQCLSA-N 359.853 4.578 0 40 FJAB O=C(NCC1CCCCC1)c1cn(-c2ccccc2)nc1-c1cccs1 3217378 VLIBGVONKMCUDZ-UHFFFAOYSA-N 365.502 4.911 0 40 FJAB CC[C@H](C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3226072 FQHGDQCBAQOOEQ-INIZCTEOSA-N 366.244 4.669 0 40 FJAB CC[C@@H]1CN=C(N(C(=O)c2ccc(Cl)cc2)c2cccc(OC)c2)S1 3228267 YDGMFPTUEFAPBZ-QGZVFWFLSA-N 374.893 4.877 0 40 FJAB Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(C)cc2)cc1 4059438 YWRUUQXPAFNLJR-OAQYLSRUSA-N 361.514 4.907 0 40 FJAB CCCCCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 4616950 XPZKVHSLACPMLN-CPNJWEJPSA-N 353.393 4.739 0 40 FJAB CC[C@H](C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1 4950320 LECHJHPYEJUAST-IBGZPJMESA-N 356.429 4.529 0 40 FJAB CCOC(=O)Nc1ccc2c(CNc3ccc(Cl)cc3)cc(=O)oc2c1 5090259 JKBMODJSCUHBJU-UHFFFAOYSA-N 372.808 4.627 0 40 FJAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)o2)c1 5901296 GRFGDFKZHDTGEC-CYBMUJFWSA-N 363.442 4.890 0 40 FJAB CC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 6589712 HRMRTNZQBCQXOU-UHFFFAOYSA-N 358.294 4.589 0 40 FJAB c1ccc(CCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)cc1 6721384 LLSUIZMLEVXALV-UHFFFAOYSA-N 368.484 4.516 0 40 FJAB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(Cl)cc2)=NC1=O 6856113 NILFJTSDFAQUDH-SFQUDFHCSA-N 370.861 4.987 0 40 FJAB Cc1cc(NC(=O)/C=C/c2ccccc2)cc(-c2nc3ncccc3o2)c1O 7505071 WHRUSUMLPPRBMJ-MDZDMXLPSA-N 371.396 4.556 0 40 FJAB Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 7505256 YLEHTOVFCNLOFF-UHFFFAOYSA-N 373.286 4.712 0 40 FJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 7645532 DSYNCRMBDBTIOX-SNVBAGLBSA-N 372.184 4.959 0 40 FJAB CC[C@@H](C)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 7779760 NOVPRVHADVVYKG-MRXNPFEDSA-N 374.506 4.562 0 40 FJAB Cc1ccc(-c2csc3ncnc(Sc4nnc(C)s4)c23)cc1 8131981 DTQUFXLJCZROHR-UHFFFAOYSA-N 356.501 4.978 0 40 FJAB Cc1cc(NC(=O)CSc2ccccc2)ccc1NC(=O)c1ccco1 8187492 SCCWSIBBEJZDRD-UHFFFAOYSA-N 366.442 4.571 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cnn(Cc2ccccc2)c1 8193295 CYHDIXLXLNTDQK-UHFFFAOYSA-N 374.488 4.564 0 40 FJAB Fc1ccc(Nc2nnc(Sc3ncnc4sccc34)s2)cc1 8324338 DBELLIKYYIKJRV-UHFFFAOYSA-N 361.452 4.577 0 40 FJAB Cc1nc2c(=O)n(Cc3ccc(Cl)cc3)nc(-c3cccs3)c2s1 8956071 WQHAKUGNCXORBP-UHFFFAOYSA-N 373.890 4.592 0 40 FJAB O=C(Nc1ccccc1F)c1nc(SCc2ccccc2)ncc1Cl 9184483 XNPYTQSTPIGASH-UHFFFAOYSA-N 373.840 4.814 0 40 FJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(C(F)(F)F)nnc3s2)cc1 9531585 PWFHTNBQNDZJDL-SNVBAGLBSA-N 354.401 4.555 0 40 FJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)cc1 9935276 LFMCUXTZFLPIGS-QZEKMECESA-N 355.441 4.987 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)c(C)c1 12558918 RQAOOPGPJBJQGV-SFHVURJKSA-N 351.494 4.733 0 40 FJAB CCOc1cc(C(=O)Nc2ccccc2C(C)=O)ccc1OCC(C)C 12593963 AFQBJOOZASLTOG-UHFFFAOYSA-N 355.434 4.575 0 40 FJAB Cc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 12742949 HYJPYJRVFZUKRV-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 12871215 CKCNGUHEYHYCND-ZDUSSCGKSA-N 372.827 4.944 0 40 FJAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 12980835 NFCJHOWDSJHBKI-UFFNRZRYSA-N 352.183 4.808 0 40 FJAB CCCCCCn1c(O)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 13004446 XRVXEAQDXIHLMC-UHFFFAOYSA-N 361.445 4.831 0 40 FJAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(Br)cc1 13820277 ZKGDPYMIJZDJAV-CYBMUJFWSA-N 363.324 4.757 0 40 FJAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 18891705 ITMOKNGJIVOOSC-VBKZILBWSA-N 373.880 4.728 0 40 FJAB O=C(c1cccnc1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19337659 ZUFRUHJZWRFTON-IBGZPJMESA-N 365.408 4.633 0 40 FJAB CC(C)c1[nH]c2ncccc2c1CN1CCC(OCc2ccccc2)CC1 19451510 WIBBMXRCQGSJTE-UHFFFAOYSA-N 363.505 4.868 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 22285370 ILTBFHRAJVYHAR-QGZVFWFLSA-N 350.245 4.979 0 40 FJAB Fc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)cc1 25361056 CJPZJOKAJNPLIW-KRWDZBQOSA-N 357.816 4.866 0 40 FJAB Cc1ccc(-c2nc(CSCC(=O)NCc3cccs3)cs2)cc1 31411839 PADHCUMPBHZXAY-UHFFFAOYSA-N 374.556 4.730 0 40 FJAB C[C@H](Sc1nnc(NC(C)(C)C)s1)c1nnc(-c2ccccc2)o1 32841169 QXUIRVKRWNUEJX-JTQLQIEISA-N 361.496 4.652 0 40 FJAB Cc1ccccc1-c1noc(-c2cccnc2N(C)Cc2ccccc2)n1 33317762 MLLIVLVZGUIPDO-UHFFFAOYSA-N 356.429 4.743 0 40 FJAB COc1cccc(NC(=O)CSCc2nc(-c3ccccc3)oc2C)c1 40067521 TVFQDCBEORRQRS-UHFFFAOYSA-N 368.458 4.531 0 40 FJAB Fc1cccc(CN(CCCn2ccnc2)Cc2ccc3ccccc3n2)c1 43277708 LUAGGMGCHBEGMM-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB FC(F)(F)c1nc(NCc2cc(-c3ccccc3)no2)c2ccccc2n1 58194122 PTSGTPUNCOCTAV-UHFFFAOYSA-N 370.334 4.916 0 40 FJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)C1(C)C 58427203 YLHJKDHYWQRIBI-HKUYNNGSSA-N 363.461 4.511 0 40 FJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc(Br)c1 71844257 OBTZSPHXKRIKJV-ZWKOTPCHSA-N 373.294 4.643 0 40 FJAB CC(=O)N[C@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3F)c2C1 84753035 MEWIXCHJBDVYFZ-AWEZNQCLSA-N 368.839 4.688 0 40 FJAB COc1ccc2cccc(NC(=O)c3cnc(-c4ccsc4)s3)c2n1 95454154 RXMUZQLQRMTQAE-UHFFFAOYSA-N 367.455 4.681 0 40 FJAB Cc1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)c(C)s1 95462414 XZPYRTPGXVHBRZ-OAHLLOKOSA-N 368.424 4.842 0 40 FJAB CCCSc1nnc(C)c(/C=C/Nc2cccc(C(F)(F)F)c2)n1 100185979 CCZXXWFOFCUOCK-BQYQJAHWSA-N 354.401 4.784 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl 113951397 NCHGIORHJFICGI-FQEVSTJZSA-N 353.849 4.967 0 40 FJAB CN(C)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Br 216879755 WRIGDJVDMHKBBN-UHFFFAOYSA-N 351.631 4.977 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219554994 NRHKPQGFDTWNJA-LJQANCHMSA-N 353.506 4.943 0 40 FJAB CCOc1ccccc1CNC(=O)CCCSc1ccc(Cl)cc1 222692702 JSRIYERPVCLNKJ-UHFFFAOYSA-N 363.910 4.927 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1cccc(C)c1 222951532 ZKHGCSMTPWOGOB-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB Fc1ccc(CSCCCNC(=S)Nc2cccc(F)c2)cc1 225615165 PUHLKAHKVRSOBQ-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB Cc1cccc2cc(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)oc12 226035790 RYNWYZIJUYQVNW-UHFFFAOYSA-N 369.420 4.621 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1C[C@@H](C)C[C@@H](C)C1 226330176 QOMYHLOYEMUXJR-OKILXGFUSA-N 371.912 4.965 0 40 FJAB C[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 245240230 NUCMWTKQBVNDFA-SUQDNJFQSA-N 365.517 4.508 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3C[C@H]4SC5=NCCN5[C@@]4(O)[C@@]3(C)CC[C@H]12 253505452 PYAGEKHNNRKKHJ-NKUNTHEUSA-N 374.594 4.505 0 40 FJAB Cc1cc(CNC(=O)c2c(F)ccc(O)c2F)ccc1-c1ccccc1 565508112 KHPXTKVINWUESI-UHFFFAOYSA-N 353.368 4.576 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cccc(C2CCC2)c1 1521836702 DBLYLLXIRGEMAS-UHFFFAOYSA-N 353.422 4.864 0 40 FJAB Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 2231185 PQDOXIMIHMWQGV-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB O=C(CSc1c(Cl)cccc1Cl)NCCSc1ccccc1 3104386 UVVQSFXUQUYVKO-UHFFFAOYSA-N 372.342 4.994 0 40 FJAB Cc1noc(C)c1COC(=O)CCCOc1ccc(Cl)cc1Cl 3319164 VQYPQQITAQUIEP-UHFFFAOYSA-N 358.221 4.501 0 40 FJAB CN(C)c1ccc(-c2nc3ccccn3c2NCc2ccc(F)cc2)cc1 4848425 UKLFSIRADZMNPB-UHFFFAOYSA-N 360.436 4.819 0 40 FJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F 5151090 KDSGEFWXLQJWCW-PMOQBDJRSA-N 369.480 4.703 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1 6147436 BRLZBGQUBOCPAA-CQSZACIVSA-N 355.459 4.667 0 40 FJAB Cc1cc(N)nc(SCc2csc(-c3ccc(C(C)C)cc3)n2)n1 7049274 ZCSKHXSOCDLGIE-UHFFFAOYSA-N 356.520 4.906 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 7344891 NFOCVMMBWKJKQR-FYWRMAATSA-N 373.452 4.947 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1C 7725492 KBHNAYHHAFVCII-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)s1 7884968 KCZYOGCBHIQMIL-IBGZPJMESA-N 364.426 4.556 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(CO)c3)c3ccccc3n2)cc1 8166552 UKBUVDCYIKXGHA-UHFFFAOYSA-N 368.436 4.955 0 40 FJAB O=C(CN(C1=NCCCC1)c1ccccc1)c1ccc(Br)cc1 8436110 CZMFYKUCIVQXGO-UHFFFAOYSA-N 371.278 4.721 0 40 FJAB Cc1cccc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1C 8586793 QCMGQIUPCOWCFX-OAHLLOKOSA-N 372.534 4.928 0 40 FJAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(F)cc1 9659991 JUTVZEHZLFRAGA-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB biogenic Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc2o1 12750405 SPFPWDZKUHYCHT-VIFPVBQESA-N 365.216 4.849 0 40 FJAB COc1cc2c(cc1NC(=O)CNc1cccc(C)c1)oc1ccccc12 12799527 VFZUZOAOQCGWIO-UHFFFAOYSA-N 360.413 4.954 0 40 FJAB O=C(N[C@H]1CCOc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 13004747 BGLFSURKWMOXRB-SFHVURJKSA-N 355.865 4.792 0 40 FJAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 13672474 KHGCFKCGEWESAG-ZDUSSCGKSA-N 372.317 4.791 0 40 FJAB CC(C)C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 20451219 JQZVFZALMVRQIU-HXUWFJFHSA-N 372.468 4.704 0 40 FJAB Cc1noc(-c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)n1 22462286 ZGCOQQKIZNSCJC-UHFFFAOYSA-N 369.424 4.816 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)o1 25668618 JCFPRJZZTHHMGW-BUHFOSPRSA-N 361.401 4.884 0 40 FJAB O=C1CSc2ccccc2N1C(=O)Nc1ccc(Cl)cc1Cl 28527698 ABJADRVOBMXXOF-UHFFFAOYSA-N 353.230 4.664 0 40 FJAB Cc1cccc(Cn2nc(C)c(NC(=O)Cc3ccc(Cl)cc3)c2C)c1 32610688 CCUPNXBZERAGON-UHFFFAOYSA-N 367.880 4.691 0 40 FJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(Cl)ccn1 32727704 KKBMVHGHAHHXNM-UHFFFAOYSA-N 372.877 4.648 0 40 FJAB CN(Cc1ccccc1)C(=O)CCCNc1ccnc2cc(Cl)ccc12 32916086 IMNAZYUZDFCWTC-UHFFFAOYSA-N 367.880 4.739 0 40 FJAB Cc1cc(C)cc(NC(=S)NCc2ccccc2CN(C)C(C)C)c1 36847588 AHQYOJWXRZCZJM-UHFFFAOYSA-N 355.551 4.630 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)c2)c1 40096079 QEOUZQBRDQJWBU-LLVKDONJSA-N 365.355 4.547 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)c(Cl)c1 44949575 VOHAPVBOMQPVOH-GFCCVEGCSA-N 363.866 4.636 0 40 FJAB C[C@@H](N[C@@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1 57668152 OEZUAWCNUBDECT-KUHUBIRLSA-N 354.450 4.593 0 40 FJAB Cc1cccc(CN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)c1 72390103 JFQPWEKUHJUWAQ-KRWDZBQOSA-N 353.491 4.795 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1F 97074613 VWCMPMKSKFSACO-CQSZACIVSA-N 370.193 4.523 0 40 FJAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 107114867 BWTPSLKAIPSXMM-UHFFFAOYSA-N 373.880 4.814 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 219518257 KSPNCBSULWOIMY-YLJYHZDGSA-N 367.489 4.798 0 40 FJAB CC(C)n1c(Cl)nc2cc(C(=O)NCCCc3ccccc3)ccc21 222542604 YRQLVUAVYMHAED-UHFFFAOYSA-N 355.869 4.633 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 224604506 VXFFHDAIBNTJPN-SFHVURJKSA-N 360.457 4.695 0 40 FJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225255546 OLCKKSNWUVOWOA-IRXDYDNUSA-N 351.490 4.773 0 40 FJAB CC(=O)N[C@H](CC1CCC1)c1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 564278475 VUPYNFGWDRTSGP-OAHLLOKOSA-N 373.840 4.812 0 40 FJAB Clc1cccc(-c2noc(CN3CCS[C@H](c4ccccc4)C3)n2)c1 605155778 ZFEKZWHGWYXOST-KRWDZBQOSA-N 371.893 4.680 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](c2ccsc2)C1 667367863 IEDRTKIJKNPXAA-SNVBAGLBSA-N 370.699 4.794 0 40 FJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NC1CC=CC1 675349285 IPANBMFMTJAOPD-UHFFFAOYSA-N 366.411 4.881 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)NC1(CO)CCCCCCC1 1214906599 QYRTXDSWLDNPBX-UHFFFAOYSA-N 352.478 4.535 0 40 FJAB O=C(COc1ccccc1Cl)Nc1ccc(OCc2ccccc2)cc1 945230 GKYNAULQJUQSAO-UHFFFAOYSA-N 367.832 4.937 0 40 FJAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccc(Cl)cc1 956560 XTQJVCPQWYMEAW-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB Cc1nc2ccccn2c1C(=O)CSc1ccc(Cl)cc1Cl 1383991 XXMDURVCJMZNFC-UHFFFAOYSA-N 351.258 4.925 0 40 FJAB Cc1ccc(OCCSc2nnc(NCc3ccccc3)s2)cc1 2618945 TUIFYVVIASVSKQ-UHFFFAOYSA-N 357.504 4.630 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 3328347 SUILLFZUGOSJJE-UHFFFAOYSA-N 352.615 4.557 0 40 FJAB CC(C)c1ccc(COc2ccc(C(=O)NCc3cccnc3)cc2)cc1 4054769 LOYAIOASZHYHHU-UHFFFAOYSA-N 360.457 4.714 0 40 FJAB CCCCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 4858206 SXTCSRCAFWNNJA-UHFFFAOYSA-N 369.509 4.674 0 40 FJAB COc1cccc2cc(-c3nc4c(s3)CCc3ccccc3-4)c(=O)oc12 4980078 KULBTAFGAHGHCJ-UHFFFAOYSA-N 361.422 4.691 0 40 FJAB Cc1nc2ccc(NC(=O)/C=C/c3nc4ccccc4s3)cc2s1 5578202 IPOPISHPWCYPBU-CMDGGOBGSA-N 351.456 4.866 0 40 FJAB Cc1ccc(CSc2nc3c(sc4nc(C)cc(C)c43)c(=O)[nH]2)cc1 5646468 WXRGBIFCPCIXLW-UHFFFAOYSA-N 367.499 4.750 0 40 FJAB CCN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 6325718 YWIZKZWRBOUVAP-SXGWCWSVSA-N 372.402 4.528 0 40 FJAB CCc1cccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 6548275 DHSNOZUQSFNVLT-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB CCOc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OCC 6610669 NXMOJETVBWJNRA-ZDUSSCGKSA-N 359.491 4.923 0 40 FJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 7347608 QISTZPVFAGLHOC-UHFFFAOYSA-N 361.756 4.654 0 40 FJAB Cc1cccc(C)c1OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 7657949 OENOHVMDTHKCFG-UHFFFAOYSA-N 365.429 4.635 0 40 FJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 8041086 XLNHHJPKBHQTJT-SNVBAGLBSA-N 373.758 4.773 0 40 FJAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCc2ccccc2C1 8156203 SBWSOIUTCQNHIS-UHFFFAOYSA-N 360.438 4.755 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ccccc1F 8324963 BXDSUADUOUESFK-GFCCVEGCSA-N 360.479 4.747 0 40 FJAB O=C(/C=C/c1ccsc1)Nc1nnc(SCc2ccccc2)s1 8343083 QVTIJPIRWFYXBN-VOTSOKGWSA-N 359.501 4.544 0 40 FJAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868401 CAUWUNFGXQPCTQ-GOSISDBHSA-N 364.272 4.815 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1Cl 8881509 RAFFZRVRIGYORI-HXUWFJFHSA-N 352.865 4.526 0 40 FJAB COc1ccc(NC(=O)NCc2ccccc2OC(F)(F)F)cc1Cl 9499235 YYWGPZGMKRZWKH-UHFFFAOYSA-N 374.746 4.569 0 40 FJAB O=C(CSc1ncc2ccccn12)N(Cc1ccco1)C1=CCCCC1 12560389 YZGLEJAXOKLJDW-UHFFFAOYSA-N 367.474 4.506 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(OCC)cc2)cc1 12788695 NPMSGAARDNOQID-IYBDPMFKSA-N 356.466 4.605 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)cc1 13000631 NDGXOKSIYLFXCU-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)Nc3ccc(O)cc3)cc2s1 13692842 HPOONDPCOABTPX-UHFFFAOYSA-N 363.442 4.662 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccccc1SCc1cc(C)no1 14093398 YHOPSCBSWNTOPR-UHFFFAOYSA-N 368.458 4.845 0 40 FJAB CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1c(F)cccc1Cl 14189500 KUGWUOIADOSCSG-UHFFFAOYSA-N 366.223 4.815 0 40 FJAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2Cl)on1 19120954 BPXXDSDSCUOYGU-KRWDZBQOSA-N 356.857 4.754 0 40 FJAB O=c1nc2n(c3sc4c(c13)CCCC4)[C@@H](c1ccccc1)C=CS2 19898696 HJOLDRTXLZQQHI-CQSZACIVSA-N 352.484 4.546 0 40 FJAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1ccc(C(F)(F)F)cc1 19927104 SAGZCFKNIMTVRH-KRWDZBQOSA-N 367.392 4.883 0 40 FJAB Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 20357436 YJWADOTYZKBFIE-UHFFFAOYSA-N 368.480 4.523 0 40 FJAB CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(C)c(C)c3)nc21 20605464 SHRKXIRJVPCCCT-UHFFFAOYSA-N 361.417 4.695 0 40 FJAB CC(C)c1noc2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12 22242869 APCBABWQAFEHKU-UHFFFAOYSA-N 365.477 4.916 0 40 FJAB COc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc(Cl)c1OC(C)C 23429604 FFYDRTRGDHSXPE-LSDHHAIUSA-N 365.901 4.788 0 40 FJAB c1ccc(-n2cc(CNCc3cccs3)c(-c3cccs3)n2)cc1 24761245 BDHGSYGLISVDGL-UHFFFAOYSA-N 351.500 4.952 0 40 FJAB CN(CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCc2ccccc21 29487174 CNOBJZSBJAASGU-INIZCTEOSA-N 362.445 4.559 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CN(CC)CC)cc1 30854689 COBBGLFIIWYUEY-LJQANCHMSA-N 374.912 4.978 0 40 FJAB Cc1nccc(-c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1 32824831 UWKOESAEZFZYFH-UHFFFAOYSA-N 353.425 4.786 0 40 FJAB COc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1OC 35616249 YCQLMQGKOIDGGH-UHFFFAOYSA-N 374.444 4.774 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccccc1 40556532 GRTOVLLGCYPTRK-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccnc(Cl)c1 44759165 KFLHTIBJGZNRDV-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3Br)s2)cc1 59475050 MFZXHMVPRHUIHT-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB FC(F)(F)c1cnc(NCc2ccccc2N2CCCC2)c(Cl)c1 70038897 RZKZMTJZEGDSQO-UHFFFAOYSA-N 355.791 4.966 0 40 FJAB CN(C(=O)c1ccncc1Cl)[C@@H](c1ccccc1)c1ccc(F)cc1 75082344 BQQRDYVASXKKJS-IBGZPJMESA-N 354.812 4.736 0 40 FJAB CC(C)[C@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 84410193 GEOWOCPIVSNWKV-NSHDSACASA-N 366.292 4.831 0 40 FJAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2Cc2ccoc2)c1 100141186 DAIVFVWRPKSNGP-WIYYLYMNSA-N 370.456 4.560 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)cc1 113969098 ZYOIPRHBQPRQOB-AUUYWEPGSA-N 361.869 4.692 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC2CCCC2)cc1 219577238 MBWVTDQVPYWCDK-IBGZPJMESA-N 357.425 4.943 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl 224935311 ZKLFHBWVPBQIQS-OAHLLOKOSA-N 358.869 4.655 0 40 FJAB COc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225331699 AOWIGHCHYKUJJZ-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB COc1ccc(Cl)cc1NC(=O)NCc1ccnc(-c2cccs2)c1 225652787 XRJBMALINXTMKB-UHFFFAOYSA-N 373.865 4.794 0 40 FJAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)c1 225720003 JFNJQBHAXMEYNY-KRWDZBQOSA-N 374.506 4.540 0 40 FJAB Cc1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2Cl)c1 226240628 CQYGQDWUWWWYOE-UHFFFAOYSA-N 351.277 4.751 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1C[C@@H](C)C[C@H](C)C1 226330188 QOMYHLOYEMUXJR-KBPBESRZSA-N 371.912 4.965 0 40 FJAB Cc1ccc(CNC(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)cc1 306132463 LJZGRYCLFUUKAG-UHFFFAOYSA-N 372.472 4.622 0 40 FJAB CC(C)COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 408598860 BYFIEFQYHNOGQP-PDGQHHTCSA-N 353.443 4.962 0 40 FJAB Cc1ccc(N(C)C(=S)Oc2ccc3nc(C)c(C)nc3c2)cc1C 408735616 UIKXPKXUIYIGAE-UHFFFAOYSA-N 351.475 4.664 0 40 FJAB CCCCCCOc1ccc(-c2nc(O)c3ccccc3n2)cc1OC 575411015 WEBUIAHYQZFRLI-UHFFFAOYSA-N 352.434 4.970 0 40 FJAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)/C=C/c1ccccc1Cl 727448734 JDOCGJSNLWETIK-YHVDPYDOSA-N 367.923 4.711 0 40 FJAB Cc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1 624799 SNDMUFIJXUQFQF-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB CCn1c(CNc2ccccc2Cl)nnc1SCc1ccccc1 917438 YJDCWFUWCDEMLP-UHFFFAOYSA-N 358.898 4.856 0 40 FJAB COc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1 1436827 NDEBZKZFLBCUOR-UHFFFAOYSA-N 362.220 4.674 0 40 FJAB OC1(c2cccc(C(F)(F)F)c2)CCN([C@H]2C[C@H]2c2ccccc2)CC1 1688501 UQNYLRPFZWLLMC-OALUTQOASA-N 361.407 4.545 0 40 FJAB COc1ccccc1/C=C1\C(=O)N(c2cccc(C)c2)C(=O)c2ccccc21 2630223 OCDBJYBNSDXFNM-QNGOZBTKSA-N 369.420 4.731 0 40 FJAB Cc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 4384046 NBHIMFYGKZWVOY-UHFFFAOYSA-N 366.442 4.571 0 40 FJAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nc1Cc1ccccc1 4485578 MDFHKRNZZDEEPR-AWEZNQCLSA-N 369.465 4.567 0 40 FJAB Cc1nc(NC(=O)CSCc2ccccc2)sc1-c1ccccc1 4932790 KLYIKNGLRHJKSI-UHFFFAOYSA-N 354.500 4.990 0 40 FJAB Fc1cccc(-n2nnnc2SC(c2ccccc2)c2ccccc2)c1 5220009 HHLCNJAVSHFLGL-UHFFFAOYSA-N 362.433 4.683 0 40 FJAB CCc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccc(C)cc1)=N2 6844113 DAUMQXZMMKCZHU-UHFFFAOYSA-N 369.468 5.000 0 40 FJAB Clc1c(-c2nnc(SC[C@H]3CCCO3)o2)sc2ccccc12 7081071 UNFJHOBYYRPHMW-SECBINFHSA-N 352.868 4.876 0 40 FJAB Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 7221162 XYQBLLBJKINLAS-OAQYLSRUSA-N 360.413 4.516 0 40 FJAB CCCNCc1cc(Br)ccc1OCc1ccccc1F 7262348 RAJALPQSFXXNAW-UHFFFAOYSA-N 352.247 4.667 0 40 FJAB CC(C)c1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389372 XNVKHCFPFLWCRA-UHFFFAOYSA-N 371.440 4.943 0 40 FJAB O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1cccc(F)c1 7512586 RCVRKJCPXHMFCO-UHFFFAOYSA-N 356.422 4.645 0 40 FJAB CCc1ccc(CC)c(-c2csc(CC(=O)NCc3ccccc3)n2)c1 8103385 UNMXKDFQLASVOI-UHFFFAOYSA-N 364.514 4.794 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 8495787 NGMZBPABDHTERR-CQSZACIVSA-N 362.267 4.780 0 40 FJAB O=C(NCCCCOc1ccc(F)cc1)c1ccc(Cl)cc1Cl 12392632 WSAWLGSUGYQSBQ-UHFFFAOYSA-N 356.224 4.722 0 40 FJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1cccs1)CC3=O 12408069 ONEJUEJNFCHRNA-AWEZNQCLSA-N 354.427 4.822 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(N2CCCC2=O)cc1 12760920 GNHZGBKORCVPAU-UHFFFAOYSA-N 372.424 4.858 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cccc(F)c3)ccc2c1 12849322 DOXAVSADPROJGM-HNNXBMFYSA-N 351.421 4.750 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(C)=O)s2)cc1 12925817 AJLPCELMPQICDW-KRWDZBQOSA-N 357.475 4.717 0 40 FJAB CCc1ccc(NC(=O)Cc2nc(-c3cccc(OC)c3)cs2)cc1 14236532 WQNYYQMJIDYVHE-UHFFFAOYSA-N 352.459 4.562 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1 14399710 YNYFUQQXMQILGH-QGZVFWFLSA-N 371.546 4.801 0 40 FJAB Cn1ccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)n1 14899575 QKZWENVDCDINJL-UHFFFAOYSA-N 374.416 4.731 0 40 FJAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 15581003 VBOOYFKNICQEFE-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 16303513 DMLMIUOPJWSPRO-UHFFFAOYSA-N 359.385 4.616 0 40 FJAB CN(C)[C@@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccs1 16381836 PFYOGWMHUOBLBC-ZDUSSCGKSA-N 374.362 4.644 0 40 FJAB CC(C)Oc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1 19450714 NDOKKCVILOGHES-IRXDYDNUSA-N 356.516 4.968 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2c(C)noc2C)c2ccccc2)cc1 22135151 KZGGBOIXUCMVSW-GOSISDBHSA-N 364.445 4.601 0 40 FJAB CSc1ccccc1NC(=O)Cc1cc(-c2cc3ccccc3o2)on1 23127287 KJXKCLVUHSGOQJ-UHFFFAOYSA-N 364.426 4.991 0 40 FJAB O=C(CSc1nccn1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 27485956 DSZLNNWIPGIGNB-UHFFFAOYSA-N 352.503 4.750 0 40 FJAB CNCCOc1ccc(/C(=C(\c2ccccc2)[C@H](C)O)c2ccccc2)cc1 30731098 GREXPZNIZPCGIV-LYEHZDMLSA-N 373.496 4.625 0 40 FJAB world O=C(CCc1ccccc1Cl)Nc1ccc(Br)cc1F 31590008 IKYSCDRGNBBSTL-UHFFFAOYSA-N 356.622 4.813 0 40 FJAB Cc1ccc2c(c1)CCCN2C(=O)CCCc1ncc(-c2ccccc2)o1 31696839 GDEZJPHRHHEBQY-UHFFFAOYSA-N 360.457 4.952 0 40 FJAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3-c3ccccc3)no2)cc1 33560765 JMOFICOSDPUNAP-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB Cc1ccc(OCCn2c(CCC(=O)O)ccc2-c2cccs2)c(C)c1 33763854 NDXIQSSSVJLQBI-UHFFFAOYSA-N 369.486 4.930 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 36617399 IQYAIQCYRRLSGP-CYBMUJFWSA-N 361.401 4.591 0 40 FJAB Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 36620856 LIMSJMDVAWUUJP-FQEVSTJZSA-N 357.519 4.818 0 40 FJAB CCOC(=O)CCCCCCC(=O)c1cccc(CN2CCCCC2)c1 43211117 DVWNYXBFGIEPOF-UHFFFAOYSA-N 359.510 4.759 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)n[nH]2)cc1 51315498 VVRGPOHVPQGGQV-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccco1)C3 58088540 ROPVTARSIDPSCE-UHFFFAOYSA-N 373.836 4.734 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@@H]1C[C@@H]1c1ccccc1Cl 58393404 GMCRKKVWVXKPKP-IAGOWNOFSA-N 365.820 4.665 0 40 FJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(Cl)c1 75359571 JPSSOVRYABKNCO-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB O=C(COC1CCCCC1)Nc1ccc(N2CCCCC2)c2ccncc12 84358734 UBXMCUXHAPCZRG-UHFFFAOYSA-N 367.493 4.513 0 40 FJAB CSc1nnc(CSc2ncc(C(F)(F)F)cc2Cl)s1 95373496 RPMYAWOALOXLBW-UHFFFAOYSA-N 357.835 4.620 0 40 FJAB COc1ccc(NC(=O)c2cccc(Oc3ccccn3)c2)cc1Cl 96122654 QPLIPPSWRVPEOL-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB COc1c(Cl)cccc1NC(=O)Cc1csc(-c2cccc(C)c2)n1 97712334 SKGFKZAOHZQYMB-UHFFFAOYSA-N 372.877 4.962 0 40 FJAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@H]1[C@H]2C 106898033 IOUYXYGRBKBIAU-GGINPIDGSA-N 361.526 4.855 0 40 FJAB biogenic O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 107673819 WIGHARIXUQYVBU-OAQYLSRUSA-N 374.415 4.531 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 222676390 LOPYTQIAGZDLNA-GOSISDBHSA-N 353.506 4.820 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCCC2 222944117 GGOHMFYZSCPUBS-SFHVURJKSA-N 362.517 4.652 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1Br 222977224 FKJYWESAVFFMGR-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc(C)c1 224459166 BYCPEDSIYDOEPM-JOCHJYFZSA-N 363.457 4.501 0 40 FJAB CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937933 GXAIJZLLZDPJBP-UHFFFAOYSA-N 368.644 4.611 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCSCc1cccc(Cl)c1 225034967 NNFIWZOTERGGJN-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2CCCCCC2)cc1Cl 225353927 DMKCSAGLFHUCQA-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB O=C(CCc1ccc(Cl)cc1Cl)NCCOc1ccccc1Cl 225380037 CEMXNRFWCPYYLH-UHFFFAOYSA-N 372.679 4.775 0 40 FJAB Cc1cccc(Nc2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)n1 257239622 HQDNQVIWCHUUGO-FQEVSTJZSA-N 359.477 4.651 0 40 FJAB Fc1cccc(Cc2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)c1 257261065 LFONACNQQXKNHX-HSZRJFAPSA-N 361.464 4.934 0 40 FJAB COc1cccc(C2(NC(=O)Nc3cccc([C@H](C)OC)c3)CCC2)c1 665950431 NGSPJASXFIRRQD-HNNXBMFYSA-N 354.450 4.604 0 40 FJAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1 675571941 SAVVQBNIYGASOC-HXUWFJFHSA-N 362.477 4.606 0 40 FJAB COc1ccccc1N/C=C1/C(=O)N2c3c(cc(C)cc31)C(C)=CC2(C)C 1740816391 CEZZTBYPQXFKKG-QGOAFFKASA-N 360.457 4.999 0 40 FJAB O=Cc1nc(Br)c(-c2cc(Cl)cc(Cl)c2Cl)[nH]1 1857794651 FWFBOOXXUVSWHL-UHFFFAOYSA-N 354.418 4.612 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 959319 SDXLGKWAPXWKEB-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB C[C@H]1CCc2sc3nc(SCc4ccccc4)n4ncnc4c3c2C1 2404820 HDMWBGGQLSPDGQ-LBPRGKRZSA-N 366.515 4.756 0 40 FJAB CSc1ncccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 2651236 VYHJDFXCWZFBPJ-UHFFFAOYSA-N 361.879 4.833 0 40 FJAB CCN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccccc1 3301694 NUOBAZUBEHCYBT-UHFFFAOYSA-N 373.865 4.535 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3447963 ZUBKQOVMISGDAX-AWEZNQCLSA-N 351.475 4.874 0 40 FJAB CCCn1c([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033566 FSLIGTNEOMYEGR-HNNXBMFYSA-N 367.880 4.929 0 40 FJAB O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2cc3c(cc2N1)OCCO3 4911695 WPLILFDIGLIBDP-SFHVURJKSA-N 373.408 4.724 0 40 FJAB Cc1ccc(C(=O)[C@H](OC(=O)c2c(C)noc2C)c2ccc(C)cc2)cc1 5195803 HKLWATVPGXZKQF-OAQYLSRUSA-N 363.413 4.689 0 40 FJAB O=C1[C@@]2(CCC[C@]13N=NC[C@@H]3c1ccccc1)N=NC[C@H]2c1ccccc1 5554866 GJFCAYFWCNOHCA-ZIEJVCCYSA-N 358.445 4.716 0 40 FJAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccc(Cl)cc3o2)[C@@H]1C 5938734 CEPPNJBXOSVDAR-NQBHXWOUSA-N 352.887 4.514 0 40 FJAB CCc1ccc2c(CC(=O)Nc3nc(-c4ccccn4)cs3)coc2c1 6549892 DJNWLFPFLKXYDT-UHFFFAOYSA-N 363.442 4.695 0 40 FJAB Cc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 7603244 QOIHLQWNPWQNDM-JYRVWZFOSA-N 362.794 4.509 0 40 FJAB Cc1c(Cl)c(CSc2nnc(NC3CC3)s2)nc2ccccc12 8229790 OJHOFYVFYUJHLD-UHFFFAOYSA-N 362.911 4.915 0 40 FJAB Cc1ccc2c(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)coc2c1 8394704 VUOWAIGQQHFAIY-UHFFFAOYSA-N 363.413 4.964 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 8448471 LDQLBQLROZJLGL-JTQLQIEISA-N 359.731 4.645 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1 8719191 LHLSAVRNULVVTD-UHFFFAOYSA-N 374.799 4.915 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccnn1C1CCCCC1 9690001 SBZQPOULSSYFGD-UHFFFAOYSA-N 352.265 4.876 0 40 FJAB CCCCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 11914163 PBMNIEBRQPJUQS-UHFFFAOYSA-N 371.824 4.821 0 40 FJAB O=C(Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1)c1ccncc1 12768760 FJYFMMJKBPFIPC-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB CC(C)c1ccc(-c2nnc(NC(=O)c3c(F)cccc3F)s2)cc1 12808338 OEMBOCXUTWQSDG-UHFFFAOYSA-N 359.401 4.859 0 40 FJAB C[C@@H](NC(=O)CSc1nc2cccc3cccc([nH]1)c32)c1cccs1 12925583 DVDYQBPWLKKKRL-GFCCVEGCSA-N 367.499 4.747 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1 12929614 WOFZKRPBNBRPAT-NRFANRHFSA-N 362.473 4.887 0 40 FJAB CSc1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13680613 AREHWYMNXNVXFN-UHFFFAOYSA-N 362.303 4.657 0 40 FJAB COc1cccc(Cc2cnc(NC(=O)c3cc4ccccc4o3)s2)c1 14198363 LHRQIHGSGKEYGV-UHFFFAOYSA-N 364.426 4.741 0 40 FJAB CCOc1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 15839945 ISCABQVAISUWKA-HXUWFJFHSA-N 366.848 4.653 0 40 FJAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1NCc1ccccc1 20158925 YWOAWFNZYDOKRA-DVECYGJZSA-N 370.496 4.952 0 40 FJAB CCOc1ccc(Nc2cc(C)nc3cc(-c4ccccc4OC)nn23)cc1 21150519 WZHFHTPTDUQRNB-UHFFFAOYSA-N 374.444 4.856 0 40 FJAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cccc(Br)c1 22250534 OCSUMKHOCNDFCU-JTQLQIEISA-N 368.658 4.602 0 40 FJAB CCCOc1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 25493617 LONXVSYYYWIPFY-UHFFFAOYSA-N 368.260 4.972 0 40 FJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(Cl)c1Cl 26361484 SURQJGPPZKIBPI-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1ccccc1Oc1ccccc1Cl 30061122 WIBQNIQHHLBSKF-UHFFFAOYSA-N 356.809 4.918 0 40 FJAB CCN(c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1)C(C)C 30639127 FKGDOUBPYILCJA-UHFFFAOYSA-N 360.841 4.556 0 40 FJAB CC(=O)c1c(C)cc(C)c(COC(=O)C2(c3ccc(F)cc3)CC2)c1C 31588916 SZORHZBFZLGSSL-UHFFFAOYSA-N 354.421 4.729 0 40 FJAB CCCn1nccc1NC(=O)c1sc(-c2ccc(CC)cc2)nc1C 31770208 DJAXWAOHUNTGGI-UHFFFAOYSA-N 354.479 4.540 0 40 FJAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC[C@H](C)c1ccccc1 32719103 ULYCUDJHFBEGOP-QWHCGFSZSA-N 351.874 4.880 0 40 FJAB Cc1cc2oc(C(=O)Nc3cccc4nsnc34)c(C)c2cc1Cl 35672799 LQTMQACQNVFHMI-UHFFFAOYSA-N 357.822 4.960 0 40 FJAB O=c1nc2n(c3scc(-c4ccccc4Cl)c13)Cc1ccccc1-2 36611823 NBYIXVGNQKGPNJ-UHFFFAOYSA-N 350.830 4.807 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 40995392 GRNMTVYGJGSNOL-UHFFFAOYSA-N 361.441 4.846 0 40 FJAB Clc1ccc(OCc2cccnc2)c(CSc2nncn2C2CC2)c1 42571609 ICKBMDVEUQERFY-UHFFFAOYSA-N 372.881 4.533 0 40 FJAB Brc1cc(Cc2ccccc2)ccc1OCC[C@@H]1CCCCN1 42770233 SOMBPLAULBZBHS-SFHVURJKSA-N 374.322 4.951 0 40 FJAB Cc1ccccc1-c1csc2c(=O)n(Cc3ccc(F)cc3)cnc12 44166727 ADAXEOYDTBWCTQ-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB CCc1cc(=O)oc2c3c(ccc12)OCN([C@H]1CCCc2ccccc21)C3 57129068 GGRFQLLKXXFQCW-FQEVSTJZSA-N 361.441 4.585 0 40 FJAB O=C(c1ccc(OC2CCCC2)cc1)N1CCCc2cc(F)c(F)cc21 58345202 VTXHQACLFMHRGF-UHFFFAOYSA-N 357.400 4.879 0 40 FJAB O=C(Nc1cccc(OC2CCCC2)c1)c1csc(-c2ccccn2)n1 69370244 NKSBXJPSXMQITD-UHFFFAOYSA-N 365.458 4.779 0 40 FJAB Cc1nc(NC2CCCCC2)sc1C(=O)N[C@H]1CCc2ccccc21 71326724 XFTBYPKFSQGSHX-KRWDZBQOSA-N 355.507 4.613 0 40 FJAB Cc1c(/C=C/c2cnn(-c3ccccc3)c2)nc2ccccc2c1C(=O)O 95392511 CJMLNXCSZNMUIA-VAWYXSNFSA-N 355.397 4.598 0 40 FJAB COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1 96117425 GDAWXNSRYSIQPY-KRWDZBQOSA-N 354.837 4.637 0 40 FJAB Cc1ccccc1NC(=O)[C@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 100641869 DHKHUMVXSHDOJM-ZEQRLZLVSA-N 371.484 4.906 0 40 FJAB CC1(C)[C@H]2CC[C@]1(C)c1nn3cc(-c4c[nH]c5ccc(F)cc45)nc3nc12 141599301 IJZNKYFZTBWUTD-LHSJRXKWSA-N 361.424 4.587 0 40 FJAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1C=O 199832118 KGUQMMBUCWZXBM-UHFFFAOYSA-N 357.250 4.884 0 40 FJAB CCCCCNC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 224377893 LLJGYCDANUGTRY-UHFFFAOYSA-N 355.478 4.893 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCC1 224609264 LFKJMSWXQREDCK-LJQANCHMSA-N 357.519 4.789 0 40 FJAB CCc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 225005599 TVJSCDVZGQSWLI-UHFFFAOYSA-N 369.515 4.574 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1C 225371348 KXIPEHRDYKMAOR-VGOFRKELSA-N 351.490 4.909 0 40 FJAB CCCOc1ccccc1CCCNC(=O)CCc1ccc(C)c(C)c1 225532876 GZNXQNKEOSDTPG-UHFFFAOYSA-N 353.506 4.774 0 40 FJAB CSc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1 225760316 OZXQALQTBPBIHJ-UHFFFAOYSA-N 368.527 4.781 0 40 FJAB CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257242789 IEDDTNADODFDPJ-PYRYHMDCSA-N 370.537 4.528 0 40 FJAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cccs1 408622617 PSAVICPJFYFANI-UHFFFAOYSA-N 370.437 4.888 0 40 FJAB O=C([C@H]1C[C@@H]1C1CCCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 650066829 QKEMFABXHCKUJU-KGLIPLIRSA-N 372.456 4.694 0 40 FJAB O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cc(O)nc2ccccc12 1538176711 BUCOCMHKEQBDCN-UHFFFAOYSA-N 364.420 4.536 0 40 FJAB CCOc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1 630190 KPRSOZDEEZVREC-UHFFFAOYSA-N 367.470 4.862 0 40 FJAB COc1ccc(-c2csc(N(C)C(=O)c3ccccc3Cl)n2)cc1 929059 YVHPWVSAHUYZMD-UHFFFAOYSA-N 358.850 4.749 0 40 FJAB Nc1nc(SCc2ccccc2Cl)c2ncn(C3CCCCC3)c2n1 1687416 IFFVNONQSMFZGH-UHFFFAOYSA-N 373.913 4.859 0 40 FJAB O=C(c1cccc(CN2CCSCC2)c1)c1cccc(Cl)c1Cl 2515306 SMQLCRZQGFTZQL-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB COc1ccc(-c2c(-c3cc(O)cc(O)c3)c3ccccc3oc2=O)cc1 2573904 XJZFFYLNSOASJP-UHFFFAOYSA-N 360.365 4.547 0 40 FJAB Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 2782857 GSSQIWWORRLKRB-NEPJUHHUSA-N 360.177 4.614 0 40 FJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccco1 2889633 DNATVZSLMCXNQN-UHFFFAOYSA-N 355.415 4.664 0 40 FJAB CC(C)(C)NC(=O)c1ccc(Oc2ccc(C(=O)NC(C)(C)C)cc2)cc1 4066073 KLBGPVJQGWCTCK-UHFFFAOYSA-N 368.477 4.536 0 40 FJAB Cc1c([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)c2ccccc2n1C 4092300 DGECMFCTJZBCGV-NSPYISDASA-N 365.502 4.527 0 40 FJAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc(C)c1C 4570504 GPPCRSGVHMSIIM-UHFFFAOYSA-N 358.246 4.711 0 40 FJAB O[C@@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(F)cc1 4934861 JOTQVNUKFKKTQB-YDHSSHFGSA-N 353.481 4.574 0 40 FJAB CSc1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)s1 5872321 PNGPRIZGIKDBOS-SNVBAGLBSA-N 353.538 4.503 0 40 FJAB CCCn1c([C@@H](CCSC)NC(=O)c2ccccc2)nc2ccccc21 8628423 JDCVKTYEPHYUFO-GOSISDBHSA-N 367.518 4.671 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccccc1OCc1ccccc1 9259550 DXIHOBMMRQJUMB-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cc(Cl)c1OC 9956383 MDJPXDUMVXJCLK-ZGKFYVQTSA-N 371.864 4.734 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)N[C@@H]3CCc4ccccc43)o2)cc1 13000437 NXKIAHLGGXDVMT-OAQYLSRUSA-N 361.441 4.692 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc([C@@H](C)c3ccccc3)s2)cc1C 13569551 FTLWHDRFRCBZGO-AWEZNQCLSA-N 352.463 4.951 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc([C@H](C)c3ccccc3)s2)cc1C 13569552 FTLWHDRFRCBZGO-CQSZACIVSA-N 352.463 4.951 0 40 FJAB COc1ccc(N2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1 13942387 DCUDOJFOBFQNMC-HSZRJFAPSA-N 368.436 4.937 0 40 FJAB C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 14109300 UYABFVOTQMWJCR-LLVKDONJSA-N 357.372 4.814 0 40 FJAB CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 15453828 LMXCBKASEQNEKE-UHFFFAOYSA-N 359.450 4.972 0 40 FJAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 16644247 VDVHAYQFEIUKQQ-UHFFFAOYSA-N 374.440 4.546 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)Cc1csc(Nc2ccccc2)n1 16850084 QZWMZDNNNYGSCS-MRXNPFEDSA-N 365.502 4.567 0 40 FJAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(Cl)c2)cc1 17120482 OGIOPYKEDWLUEB-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB Cc1cc(N)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 19736362 VGYXDQACAZEYGQ-UHFFFAOYSA-N 353.249 4.682 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C(C)(C)C)cc2)cc1 22765833 JQIQIEUDLCTHFK-OAHLLOKOSA-N 367.493 4.673 0 40 FJAB c1ccc(CN2CCO[C@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1 25638886 OBTPBGRQJMCIAX-FQEVSTJZSA-N 372.468 4.601 0 40 FJAB Fc1cccc(Cl)c1CN(Cc1nc(-c2cccs2)no1)C1CC1 27370587 KRCLWRZDWXKKAF-UHFFFAOYSA-N 363.845 4.755 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)cc1 30850662 MPLPJTIKZDYQIC-AOMKIAJQSA-N 363.457 4.883 0 40 FJAB COc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1F 32860186 QECIJMOQNXOTKD-UHFFFAOYSA-N 368.433 4.973 0 40 FJAB CC(C)(NC(=O)Nc1ccccc1F)c1ccc(Br)cc1 36395861 SRMORDSEBSLGEA-UHFFFAOYSA-N 351.219 4.645 0 40 FJAB O=C(Nc1ccccc1NC(=O)c1cc2ccccc2o1)c1ccsc1 38490128 XSDXUWDFLFPGCQ-UHFFFAOYSA-N 362.410 4.999 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)cc1 44847221 QMDDKCMAKUTWQG-GOSISDBHSA-N 363.910 4.714 0 40 FJAB O=C(Nc1cccc(-c2cnco2)c1)c1ccccc1C(=O)c1cccs1 48241823 MLWZAUHMJUYKKY-UHFFFAOYSA-N 374.421 4.886 0 40 FJAB Cc1sc(NCCc2ccccn2)nc1-c1ccc(Br)cc1 60370352 IXEJUEIQEXUYOP-UHFFFAOYSA-N 374.307 4.931 0 40 FJAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 65487680 ZSRMCEXJJXATQC-SANMLTNESA-N 370.518 4.562 0 40 FJAB O=C(Cn1ccc2c(Br)cccc21)Nc1cccc2[nH]ccc12 70666532 PXLQOQYNTPXJTP-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic CC(C)(C)OC(=O)NCCCC(=O)c1ccc(Sc2ccccc2)nc1 72217585 UXKBRQIDNBEWGO-UHFFFAOYSA-N 372.490 4.720 0 40 FJAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2Cc2ccccc2)n1 72376754 IUVIBVBVXNWYCY-FQEVSTJZSA-N 362.452 4.592 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 89980280 WWIFWTRBMBFYFS-XMSQKQJNSA-N 363.461 4.578 0 40 FJAB FC(F)C(F)(F)C(F)(F)CCOc1ccccc1Br 95094046 SQAGBFCCCYLOOA-UHFFFAOYSA-N 351.084 4.754 0 40 FJAB C[C@H]1CCN(C(=O)c2c(C(F)(F)F)ccnc2Cl)c2ccccc21 95941719 DQGNQVCEZOYDID-JTQLQIEISA-N 354.759 4.908 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@@H]3C2=O)cc1Cl 100069376 LXWFZMOMVNLPLZ-NBMJBFSESA-N 355.865 4.664 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 216360484 VIIPSHWBHLWMPE-XMMPIXPASA-N 359.469 4.896 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219366335 AAYQOQKZYLURST-MOPGFXCFSA-N 367.489 4.879 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C4CC4)c3C)N21 222682762 DOGKQYFCXVLMDF-CWFSZBLJSA-N 366.534 4.814 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222977717 CXDZCIWTKIBDOK-UZLBHIALSA-N 367.489 4.609 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219425 RVDNZLNLIRZFCF-AUUYWEPGSA-N 357.881 4.864 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1Cl 224137008 SPJNDQWWBYRBGJ-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 224320506 LUTLDOUPXSOPLC-IDJPSDCMSA-N 367.489 4.892 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(C)C 224937821 IHUMXTUGXNWXQV-UHFFFAOYSA-N 367.898 4.890 0 40 FJAB CCCSc1nnc(NC(=O)CSCc2cc(C)cc(C)c2)s1 225371968 MRJXNXYBLMMGFT-UHFFFAOYSA-N 367.565 4.529 0 40 FJAB CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225510515 HKOHJASBPDRYQS-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB S=C(Nc1ccc(Br)cc1)NC1(c2ccco2)CCCC1 225846382 RLDPNAVTIHZHEJ-UHFFFAOYSA-N 365.296 4.798 0 40 FJAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(Cl)c1Cl 226261277 NVNAJTJSNOZBFS-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3N)o2)c(Br)c1 226348460 KZCWFXNUDHNXFL-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB COC(=O)[C@@H]1C=C2C=C[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 253618106 RFEZQMLLKZHKAY-JOIJHHMESA-N 356.506 4.720 0 40 FJAB Cc1cccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1 408649713 ABGQYRGWYJDVDP-LJQANCHMSA-N 371.436 4.621 0 40 FJAB Cc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 517364406 HYVVAOCBNNGPBS-QGZVFWFLSA-N 368.235 4.655 0 40 FJAB Cc1cnc(Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 585262687 SOPWVLBRUCLLSX-UHFFFAOYSA-N 374.510 4.705 0 40 FJAB CC(C)Cc1ccc([C@@H](NC(=O)N2CCC23CCOCC3)C(C)C)cc1 683412509 INPFREYTZHCZTO-FQEVSTJZSA-N 358.526 4.547 0 40 FJAB Cc1occc1-c1cc(NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)no1 683807159 WJYXJUVVVLCJDZ-BBRMVZONSA-N 351.406 4.653 0 40 FJAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(F)cc1 682246 TXMYFRWSIKUOJB-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB Cc1cccc(C(=O)Oc2csc(=S)n2C(=O)c2cccc(C)c2)c1 863084 RWNQKQVCBRWYSF-UHFFFAOYSA-N 369.467 4.804 0 40 FJAB COc1ccccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 2249050 OGCJDQZUCRJGTN-UHFFFAOYSA-N 352.397 4.644 0 40 FJAB CCc1ccc(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1 3344136 DIUISRCOWOSDID-UHFFFAOYSA-N 351.229 4.524 0 40 FJAB Cc1ccccc1-n1c(C)nnc1SCc1nc2ccccc2s1 3424276 JVHKCESNBIOLIT-UHFFFAOYSA-N 352.488 4.786 0 40 FJAB aggregator Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(C(C)C)cc3)NC(=O)CN21 4000111 FYDHLVJROOYLRV-BYUVYSIJSA-N 360.501 4.756 0 40 FJAB biogenic CC(C)c1ccccc1OCCNC(=O)CSc1ccc(Cl)cc1 4118929 NWEWWMDKTSWKMM-UHFFFAOYSA-N 363.910 4.751 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Cl 6026087 NZOAUTPNHOQRHK-UHFFFAOYSA-N 358.869 4.837 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)c(C)c1 6203520 FAIDIRQCSMOFSR-UHFFFAOYSA-N 369.515 4.657 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3cccc(C)c3)[nH]c(=O)c12 7002444 IJTHUVNAANXNFU-GFCCVEGCSA-N 355.507 4.802 0 40 FJAB CSc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1 7118929 HXOUNOUYPYEGOZ-GFCCVEGCSA-N 357.504 4.718 0 40 FJAB CC(=O)Nc1cccc(-c2nnc(SCc3cccc4ccccc34)[nH]2)c1 7605138 HPKXUQLYDBTJPL-UHFFFAOYSA-N 374.469 4.876 0 40 FJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(F)cc2C)cs1 7922256 MYDYCSSMCUTBRS-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 8021339 YZHJYPYQEKEIEC-GHMZBOCLSA-N 368.260 4.811 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSc1ccc(Cl)cc1 8048951 UHTKIEKQNBBOQL-MRXNPFEDSA-N 367.873 4.545 0 40 FJAB O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCCc2ccccc21 8381799 PDIPJHHSYHECJA-UHFFFAOYSA-N 363.438 4.728 0 40 FJAB Cc1cc(N[C@@H](C)c2nc(-c3ccccc3)no2)ccc1Br 8706900 DQKDXCYHFRPGDM-LBPRGKRZSA-N 358.239 4.981 0 40 FJAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9063118 CVXZLAFVZCAJDR-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB O=C(c1ccccc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235626 LKVRNRRFLJDWNJ-UHFFFAOYSA-N 356.878 4.970 0 40 FJAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCc1cc(-c2ccco2)on1 10468840 HVDHVRMREBFZPO-UHFFFAOYSA-N 368.776 4.802 0 40 FJAB O=C(CNc1cccc(Cl)c1Cl)Nc1ccccc1Br 11622344 LGCZZCQOCOWGNC-UHFFFAOYSA-N 374.065 4.807 0 40 FJAB CCCOc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1 12225532 JGMWABUZWUCXPO-UHFFFAOYSA-N 362.433 4.570 0 40 FJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)c2ccccc2)cc1 12631436 DDZUAVURAVUOPO-JOCHJYFZSA-N 358.441 4.657 0 40 FJAB O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12855268 WAAAYLPBQHFYDJ-GFCCVEGCSA-N 358.413 4.594 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)C1(c2ccc(Cl)cc2)CCCC1 12857198 KHDXETKWYNHWOO-UHFFFAOYSA-N 357.837 4.562 0 40 FJAB CCOc1ccc2oc(C(=O)NCC3(c4ccccc4)CCC3)c(C)c2c1 13013142 SBPOJDDJAKZHKF-UHFFFAOYSA-N 363.457 4.992 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)cc1C(=O)O 13074521 LZUUDDSWUDPWBU-UHFFFAOYSA-N 374.458 4.509 0 40 FJAB CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 15866466 JQOHYGTXODBWNW-MSOLQXFVSA-N 353.857 4.596 0 40 FJAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1 16101189 YJLQCFCTDAXBIQ-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB CN1CCN([C@@H]2Cc3ccccc3Sc3cccc(C4CC4)c32)CC1 19802370 QGLAZEQEBKZSQP-LJQANCHMSA-N 350.531 4.560 0 40 FJAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 20447843 NNZMMOVNNQLQJV-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB C[C@@H]1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccc(F)cc3)c2C1 20672206 JCSOIQVSJYPVKL-LBPRGKRZSA-N 353.372 4.659 0 40 FJAB CCOc1ccccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245317 MNRLCYRLOQYJHR-UHFFFAOYSA-N 367.474 4.870 0 40 FJAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(Cl)c(Cl)c1 28303693 COPBVNUZCLUDCE-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB O=C(NCc1ccccn1)c1ccc(-c2ccc(Br)cc2)s1 31212072 MBDAFQZVNICXNT-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB Cc1c(C(=O)N2CCC[C@@H]2Cc2ccccc2)oc2c1C(=O)CC(C)(C)C2 32933194 IHHDFMWBQGKXBR-QGZVFWFLSA-N 365.473 4.590 0 40 FJAB COc1cccc(C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 33012712 LCGZCFRLKIUJDJ-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CC(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 58268411 HFYULAHLYFGVMU-MRXNPFEDSA-N 370.840 4.909 0 40 FJAB C[C@@H](NC(=O)CNc1ccc2c(c1)Cc1ccccc1-2)c1ccc(F)cc1 69450295 YEJPIJWIXWLJPS-OAHLLOKOSA-N 360.432 4.686 0 40 FJAB Cc1ccc(-c2ccncc2)cc1NC(=O)c1c(Cl)nc2ccccn12 101899300 ZLQJVWBXLOWWFV-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](c1ncccc1C)C(C)C)CCC2 115841449 DYCGJDBGFPLMLX-SJORKVTESA-N 372.538 4.571 0 40 FJAB CCSc1ccccc1C(=O)NCc1ccc(C(=O)c2ccco2)s1 211081825 VZKSRTFXTKUVGZ-UHFFFAOYSA-N 371.483 4.614 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1 224084017 CPBMIRQIGGLDBQ-KRWDZBQOSA-N 361.441 4.765 0 40 FJAB COc1ccc(Cl)cc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225120388 XWSNOBNRMCCGBA-SFHVURJKSA-N 362.853 4.721 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225157461 NDNRNLNOOHBGRU-UHFFFAOYSA-N 370.474 4.685 0 40 FJAB O=C(NC[C@@H](O)c1csc2ccccc12)c1ccc(Cl)c(Cl)c1 225693411 JXXHRDBIZHDDDP-OAHLLOKOSA-N 366.269 4.672 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1-c1ccc(F)cc1 225779973 ULSWSXOOTPCVMZ-UHFFFAOYSA-N 367.327 4.615 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 408706227 XWZXODWEOQGIGH-GFCCVEGCSA-N 370.301 4.669 0 40 FJAB Cc1nc(N[C@@H](C)c2cn(C)nc2C)c2cc(-c3ccccc3)sc2n1 524103837 AEZXQVHZRJMTFO-LBPRGKRZSA-N 363.490 4.882 0 40 FJAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1cc(-c2ccccc2)on1 526052318 YDQUPDDYXKCBHY-UHFFFAOYSA-N 362.360 4.671 0 40 FJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1CCc1ccncc1 1848355643 AIWYECZVOFVCIC-QHCPKHFHSA-N 370.496 4.837 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 682580 OGTVXHGJCWNURK-INIZCTEOSA-N 353.462 4.804 0 40 FJAB O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCC1=CCCCC1 2151556 CBKGINAPYXOHLN-UHFFFAOYSA-N 372.266 4.531 0 40 FJAB biogenic Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 2319045 WBEGFGOIQNPNBF-AWEZNQCLSA-N 372.515 4.516 0 40 FJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](CC)c1ccccc1 2346010 QUGHNWCOSGGXQM-HNNXBMFYSA-N 368.408 4.616 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)c3cccnc3Cl)c2cc1C(C)C 3511190 DAWBQBIEXZGWDW-UHFFFAOYSA-N 371.820 4.630 0 40 FJAB CSc1ccc(Cl)c(C(=O)OCc2nnc(-c3cccs3)o2)c1 3535835 OIGNTHRWNGNWGS-UHFFFAOYSA-N 366.851 4.530 0 40 FJAB COC1(OC)CC[C@]2(C)[C@@H]3CC[C@@]4(C)CCC[C@@]4(O)[C@H]3CC[C@@]2(C)C1 3843905 FALJCKNYMNNQLF-NYOMPZLHSA-N 350.543 4.913 0 40 FJAB CCCn1cc(SCC(=O)Nc2cccc(OC)c2)c2ccccc21 4231690 DIBXPFFTBGKOAO-UHFFFAOYSA-N 354.475 4.791 0 40 FJAB CCSc1ccccc1C(=O)Nc1nc2c(OC)ccc(OC)c2s1 4585715 SGLLYPRTJNYHOD-UHFFFAOYSA-N 374.487 4.678 0 40 FJAB O=c1c2c3c(sc2nc(-c2ccccc2)n1-c1ccc(F)cc1)CCC3 4691401 UDVCTLLLTJBOLY-UHFFFAOYSA-N 362.429 4.742 0 40 FJAB COc1cc2c(cc1NC(=O)c1cccc(N(C)C)c1)oc1ccccc12 4903128 BCBDNXKWYXBMOD-UHFFFAOYSA-N 360.413 4.913 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1ccccc1 5772814 XLZRMRYVODGQCV-HNNXBMFYSA-N 365.351 4.516 0 40 FJAB CCc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 6038255 DLFFPFHWBHQULY-UHFFFAOYSA-N 374.440 4.788 0 40 FJAB c1ccc(Nc2nnc(SCc3nc(-c4cccs4)no3)s2)cc1 6986060 JWHDUDKFEWXIDG-UHFFFAOYSA-N 373.488 4.686 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 7073106 ZVPMATKWJHSVIQ-MRXNPFEDSA-N 368.477 4.812 0 40 FJAB Cc1occc1-c1nnc(SCc2c(Cl)cccc2Cl)n1C 7236634 UQLBODOSMVBYCG-UHFFFAOYSA-N 354.262 4.983 0 40 FJAB COc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 7343569 NXEZWRYYNVLYEL-UHFFFAOYSA-N 371.440 4.728 0 40 FJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc2ccccc2c1 7696785 PFAGHQULQCCMBI-UHFFFAOYSA-N 358.485 4.756 0 40 FJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)s1 7996303 RWEZUWZQBAPLKH-UHFFFAOYSA-N 373.503 4.923 0 40 FJAB COc1ccc2c(-c3ccccc3)cc(S[C@H]3C[C@@H](C)OC3=O)nc2c1 8191307 GSQCJFOGAVTDSK-YJYMSZOUSA-N 365.454 4.707 0 40 FJAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1cc2ccccc2o1 8237973 HFLBAYMVRXPCQM-GFCCVEGCSA-N 358.235 4.615 0 40 FJAB COc1ccc2cc(CN(C)C(=O)COc3ccc(Cl)cc3)ccc2c1 8360825 OGNRUHNEFKXXDI-UHFFFAOYSA-N 369.848 4.539 0 40 FJAB CC[C@H](Sc1nc(C)nc2ccccc12)C(=O)N[C@@H](C)c1ccccc1 9227602 SRALTXIYHBMTFY-LIRRHRJNSA-N 365.502 4.686 0 40 FJAB CC(=O)N1N=C(c2c(C)coc2C)C[C@H]1c1cc(Cl)ccc1Cl 9420373 IPSLWQLJLIZZMR-INIZCTEOSA-N 351.233 4.901 0 40 FJAB CCOc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)s1 10105329 JRXIULMLYMSRMN-UHFFFAOYSA-N 358.488 4.509 0 40 FJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1F 10692000 AXONDJBRUIHZEE-IBGZPJMESA-N 358.416 4.869 0 40 FJAB CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2cccc(F)c2)n1 11919377 FQXUZMBHYALYGP-UHFFFAOYSA-N 353.397 4.920 0 40 FJAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cc2cc(Cl)ccc2o1 12749879 KOVBICMOCFJXHD-UHFFFAOYSA-N 373.865 4.865 0 40 FJAB Clc1ccc(-c2nnc3sc(-c4ccsc4)nn23)c(Cl)c1 13736460 KTDSXPQFWRYXJI-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB O=C(NCc1cccnc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 16494014 STPSVRRRTBMXBX-UHFFFAOYSA-N 371.362 4.774 0 40 FJAB Cc1ccc(-n2ncc3c(Nc4cccc(F)c4)ncnc32)cc1Cl 17120954 WCUIMYFDARWAMH-UHFFFAOYSA-N 353.788 4.660 0 40 FJAB O=C(c1cccc2cccnc12)N1CCC(c2nc3ccccc3s2)CC1 19599838 WYPDHFZEELFUOG-UHFFFAOYSA-N 373.481 4.864 0 40 FJAB O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1Br 22072944 MQVKBUNMZIPVBK-UHFFFAOYSA-N 374.282 4.650 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 23654429 WAXCUMOLJDQUCD-UHFFFAOYSA-N 372.468 4.675 0 40 FJAB Cc1ccc(CN(CCCn2ccnc2)Cc2c(F)cccc2F)s1 43277875 LSKWVGGVTZVMDY-UHFFFAOYSA-N 361.461 4.624 0 40 FJAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 54363218 RLCYZTQNYKRQSA-UHFFFAOYSA-N 352.327 4.795 0 40 FJAB O=c1c2ccccc2[nH]c(=S)n1[C@@H]1CCCc2cc(OC(F)F)ccc21 58477827 OPQSUJDSBXPIDB-MRXNPFEDSA-N 374.412 4.586 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)C(F)(F)c1ccccc1 61338118 RMKGRLYERBGHDW-UHFFFAOYSA-N 372.396 4.571 0 40 FJAB Cc1nn(C)c(C)c1CN(C(=O)c1ccccc1Cl)c1ccccc1 61997079 DJXUICXAANLRMS-UHFFFAOYSA-N 353.853 4.537 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3c(F)cccc3Cl)s2)c(C)c1 65082888 YVZJIYUQBCTOMB-UHFFFAOYSA-N 361.829 4.867 0 40 FJAB O=C(Nc1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 72282436 LEPZZAAKXPEEEV-MRXNPFEDSA-N 364.424 4.627 0 40 FJAB CCOc1cc(Cl)ccc1NC(=O)Nc1ccccc1Cn1cccn1 79104956 SJRQWJIPLIKVLZ-UHFFFAOYSA-N 370.840 4.628 0 40 FJAB CO[C@H]1CCCN(c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)C1 96122457 FGEOJAVIFPFIOK-FQEVSTJZSA-N 372.896 4.527 0 40 FJAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 96592012 JTQFXZVRKOQCAF-PDGQHHTCSA-N 353.443 4.710 0 40 FJAB CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 100425733 AZZGXBSBHMXPPG-RRUIWAFLSA-N 358.570 4.505 0 40 FJAB CCCOc1ccccc1CCCNC(=O)COc1cc(C)cc(C)c1C 218968858 LPEJAYREICOFBL-UHFFFAOYSA-N 369.505 4.528 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219327659 CHROWMAJFDDAQW-RTBURBONSA-N 371.452 4.710 0 40 FJAB Cc1cccc(CSCCNC(=O)C2(c3ccccc3)CCCC2)c1 224075463 TYWPRBGWCQWBGT-UHFFFAOYSA-N 353.531 4.856 0 40 FJAB Fc1cccc(Cc2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)c1 257210601 BVIGFVIALWBCKR-HSZRJFAPSA-N 361.464 4.934 0 40 FJAB COc1cccc2c1CCCCN2C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 513889255 PLSGSZQGOLMOEU-KBPBESRZSA-N 355.400 4.733 0 40 FJAB O=C(Nc1csnc1-c1cccc(C(F)(F)F)c1)[C@H]1CCCOCC1 577100507 RKXPGHYQSQNOKO-NSHDSACASA-N 370.396 4.584 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 1090799 CQVJRNSDDNWZIL-UHFFFAOYSA-N 352.231 4.953 0 40 FJAB CC[C@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N1CCc1ccccc1 1647930 WFROSGCKIVNHOI-VWLOTQADSA-N 368.480 4.824 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1Cl 2646914 VXUACBSIROKNAZ-UHFFFAOYSA-N 361.272 4.766 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CSc1ncnc2ccccc12 3244844 WRSQMPUFSWIBNH-AWEZNQCLSA-N 351.475 4.874 0 40 FJAB COc1ccc2nc(Nc3nnc(-c4ccc(Cl)cc4)o3)sc2c1 4137759 FONFKNCXPXGJJH-UHFFFAOYSA-N 358.810 4.752 0 40 FJAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 4911781 MSBPBMLRHXKRCB-GFCCVEGCSA-N 359.853 4.710 0 40 FJAB COc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 5032755 FAJYMMWEKIKMFK-UHFFFAOYSA-N 357.793 4.773 0 40 FJAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1nccs1 5447420 WBTUNGWPOOAXLN-UHFFFAOYSA-N 368.502 4.628 0 40 FJAB CCOP(=O)(OCC)c1cc2c([nH]c1=S)[C@@H]1C[C@H]2[C@H]2CCC[C@@H]21 5980167 YVYSETWCPIFJKA-ZDEQEGDKSA-N 353.424 4.636 0 40 FJAB CCCn1c(C)cc(-c2csc(NC(=O)Cc3ccsc3)n2)c1C 6085654 WZXYLBGOIHNPJP-UHFFFAOYSA-N 359.520 4.881 0 40 FJAB Cc1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)c(C)c1 6746000 IKCXMOYSZZWHMM-UHFFFAOYSA-N 363.505 4.718 0 40 FJAB O=C(C[C@@H]1C=CCC1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 6935646 UZAJWICFUWHUQU-QRQCRPRQSA-N 368.404 4.833 0 40 FJAB COc1ccc(CNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1 7254013 GLLIKSJHNQHOFI-LLVKDONJSA-N 370.301 4.799 0 40 FJAB Cc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(F)cc1 8332425 ROEMENJPBRVUIM-UZYVYHOESA-N 360.841 4.596 0 40 FJAB O=C([C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1)N1CCCC1 8424967 ROBYAMLRFNZIDQ-QGZVFWFLSA-N 371.893 4.672 0 40 FJAB CCn1/c(=N\C(=O)c2cccc(OC)c2)sc2c3ccccc3ccc21 8654198 GTAWXVGYYPODNT-QURGRASLSA-N 362.454 4.626 0 40 FJAB O=C(Nc1ccccc1)c1ccc(CSc2ncc3ccccn23)cc1 8705712 BYYWAGAUKLVEIF-UHFFFAOYSA-N 359.454 4.879 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(NC(C)C)s3)o2)cc1 8753120 IPAPTVXNQDHLQP-NSHDSACASA-N 361.496 4.570 0 40 FJAB CCOc1ccccc1CCCNC(=O)CCc1ccc(C(C)C)cc1 10111028 BBZDDHAPXDJXHW-UHFFFAOYSA-N 353.506 4.890 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 12872654 NXGGRVJBJJUWLJ-UHFFFAOYSA-N 373.880 4.980 0 40 FJAB COc1ccccc1NC(=O)[C@H](C)Oc1cccc(Oc2ccccc2)c1 12918849 KIDYKDGTLOFTOY-INIZCTEOSA-N 363.413 4.894 0 40 FJAB CCOc1ccc(CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 14247266 QJABRPIBFKOHJT-CYBMUJFWSA-N 351.368 4.524 0 40 FJAB O=C(Cc1cccs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 14831409 KBPBXIPYBVWYER-UHFFFAOYSA-N 353.287 4.967 0 40 FJAB Cc1cc([C@@H]2NC(=O)c3ccccc3N2)c(C)n1-c1cccc(Cl)c1 15512666 BSWKVFDVNLHXDN-IBGZPJMESA-N 351.837 4.602 0 40 FJAB CC(C)(C)SCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 20111807 SAADVKONXVTBRO-UHFFFAOYSA-N 366.379 4.875 0 40 FJAB Cc1cc(C(=O)O)ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 20144914 RUYRXGTZNJJOJT-UHFFFAOYSA-N 367.445 4.758 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20452311 QYYCKZAMUJSKCB-QGZVFWFLSA-N 369.461 4.503 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 23058368 DCGGEHAGCMEYAU-ZBFHGGJFSA-N 367.493 4.906 0 40 FJAB Cc1cc(C)c(-c2cs/c(=N\c3cccc(C)c3C)n2CCO)c(C)c1 27526242 APEJPIMNOHACNR-FCQUAONHSA-N 366.530 4.983 0 40 FJAB CC1(C)C[C@H]([C@H](CNC(=O)c2cccs2)Cc2ccccc2)CCO1 27666522 BWHRYUKPKFVICQ-MSOLQXFVSA-N 357.519 4.542 0 40 FJAB O=C(C1CCC1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29255224 PKAYVSMXJLETLW-UHFFFAOYSA-N 374.937 4.513 0 40 FJAB C[C@H](CC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 31960740 AJFYAZSOEQFLHA-MRXNPFEDSA-N 371.502 4.535 0 40 FJAB Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)sc1C 32505569 TXKUCQPCQUGCBX-UHFFFAOYSA-N 357.475 4.679 0 40 FJAB C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1 33040094 YEVCEJYBVQHVAO-CYBMUJFWSA-N 363.848 4.581 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 40017286 ZOVPMLULKMINRZ-QFIPXVFZSA-N 371.392 4.681 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 48355261 ITOPNJBDDZGPTF-GFCCVEGCSA-N 373.403 4.504 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1c(F)cccc1Cl 49409892 OFQQCAUJOKWODX-UHFFFAOYSA-N 362.857 4.722 0 40 FJAB CCCOc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C)c1 55990269 PBMHLUZFWWNBSQ-UHFFFAOYSA-N 366.461 4.553 0 40 FJAB Cc1cccc2sc(NC(=O)C3(c4cc(-c5ccco5)on4)CC3)nc12 56919353 JLBYZRYDBGKFCR-UHFFFAOYSA-N 365.414 4.523 0 40 FJAB C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1F 57478082 FXULDBYEVHDMRQ-BFUOFWGJSA-N 372.440 4.733 0 40 FJAB COc1ccc([C@@H](NC(=O)N2CCC[C@@H](C)CC2)c2ccc(F)cc2)cc1 63403577 VPUKAKQHTZVKON-IERDGZPVSA-N 370.468 4.755 0 40 FJAB CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215388 CFLZMGSGPJUNOT-SFHVURJKSA-N 359.514 4.923 0 40 FJAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2F)c(Cl)cc1N 72229212 CMOFRHLVTAYZOP-LBPRGKRZSA-N 361.848 4.692 0 40 FJAB Clc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 95863971 XMUQDBNCSNSQSC-UHFFFAOYSA-N 361.257 4.750 0 40 FJAB O=C(Nc1cccc(O)c1)c1ccc(COc2ccc3ccccc3c2)o1 98066547 GQGCHYNQIACYDR-UHFFFAOYSA-N 359.381 4.970 0 40 FJAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]21 101699215 UXMMJWNHLXEBLE-UDKICSLYSA-N 355.437 4.611 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C 138825011 HLSGQMVGZODCCS-CQSZACIVSA-N 351.368 4.578 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccccc1Cl 220019080 CWRZYNJRKGTELO-SFHVURJKSA-N 357.881 5.000 0 40 FJAB O=C(OCc1c(Cl)cccc1Cl)c1snnc1-c1ccccc1 223834232 WRSGFKFYQMMBRT-UHFFFAOYSA-N 365.241 4.869 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1cc(C)cc(C)c1C 224613010 SERKIEUEWRSHDT-UHFFFAOYSA-N 367.489 4.826 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cc(Cl)ccc1Cl 225793694 VRRZMEJXIMGUAX-UHFFFAOYSA-N 372.255 4.935 0 40 FJAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)cc(Cl)c1 225841180 YUTVARGFTMAJFO-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB O=C(CC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 226756749 MTXZPKVCPWYSRR-UHFFFAOYSA-N 354.409 4.960 0 40 FJAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCCN(CC3CC3)C2)n1 257215471 CQGIOKKGDFFRJC-KRWDZBQOSA-N 356.539 4.796 0 40 FJAB CC(C)(C)c1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408814213 OIBPTJSEPLQLBO-UHFFFAOYSA-N 355.458 4.886 0 40 FJAB Cc1sc([C@@H](C)N=c2[nH]nc(C3CC3)o2)nc1-c1ccc(Cl)cc1 557607985 YMHLRESNBLZRRR-SECBINFHSA-N 360.870 4.627 0 40 FJAB COc1cc(/C=N/c2ccccc2Cl)ccc1OC(=O)c1ccco1 1464841 AEHOANVDVFTZRJ-CIAFOILYSA-N 355.777 4.911 0 40 FJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 2402079 NUIFWSVGRWRURJ-UHFFFAOYSA-N 371.820 4.954 0 40 FJAB biogenic O=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Oc1ccccc1 2641576 OEFXQPVNJPPFOQ-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB CCCCCCC(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 3153150 WJTKADKOJPWDJN-CQSZACIVSA-N 352.689 4.848 0 40 FJAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 3648894 ZXYFJRCHGYTAAR-HDICACEKSA-N 374.484 4.662 0 40 FJAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 4033530 YBLDKEZYHLVBII-SFHVURJKSA-N 361.489 4.830 0 40 FJAB CCc1ccc(C(=O)NCc2c(-n3cccc3)cccc2-n2cccc2)cc1 4054865 BUKDTBWFIQHWPL-UHFFFAOYSA-N 369.468 4.760 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 4072183 USORGMXNOUEJMN-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)OCc1coc(-c2cccs2)n1 4580621 PPDVITQTYQISMR-UHFFFAOYSA-N 366.398 4.724 0 40 FJAB CCOC1=C(CN2CCCCC2)[C@@H](Cc2ccccc2)Oc2ccccc21 5243287 OJAORRJPDLYGDB-HSZRJFAPSA-N 363.501 4.924 0 40 FJAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(F)c(F)c1F 6376385 OKRHFRXDBCJQTR-UHFFFAOYSA-N 371.358 4.712 0 40 FJAB COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl 9205067 MCLXAHHYPINXMI-UHFFFAOYSA-N 361.850 4.846 0 40 FJAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C(C)(C)C)CC3)nc12 12128006 CJKPUPUDISBLIX-UHFFFAOYSA-N 370.541 4.605 0 40 FJAB O=C(Nc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)C1CC1 12798968 IAQQGPWCSKMIAI-UHFFFAOYSA-N 351.837 4.849 0 40 FJAB Cc1cc(C)cc(NC(=O)c2ccccc2OCc2csc(C)n2)c1 12902202 JTTXRPIQXIEHFE-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB CCOc1cc(C=O)ccc1OC(=O)c1sc2ccccc2c1Cl 14777380 RBKWWJSLYRNELG-UHFFFAOYSA-N 360.818 4.985 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)cc1F 15007922 BOWGKGQAGVPDPW-UHFFFAOYSA-N 374.662 4.972 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412087 BBLRQPBKWVAGNB-UHFFFAOYSA-N 351.446 4.991 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 20488131 CBVRTABNIJJWRO-JOCHJYFZSA-N 350.506 4.800 0 40 FJAB CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21170842 ZEOCEAVEAURTIT-OAQYLSRUSA-N 372.553 4.735 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2nsnc2c1 21595882 XILAHGFLOGKBCI-UHFFFAOYSA-N 357.744 4.616 0 40 FJAB CCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc21 22502817 JPTUGLJZZHZJPM-UHFFFAOYSA-N 357.841 4.673 0 40 FJAB Fc1cc(Br)ccc1OCc1csc(-c2ccco2)n1 22988117 ZVMJVGISTXHDAJ-UHFFFAOYSA-N 354.200 4.884 0 40 FJAB CC(=O)NCc1ccc(-c2nc(Nc3ccccc3F)sc2C)s1 25058462 FCBQYEFEVCAGMK-UHFFFAOYSA-N 361.467 4.699 0 40 FJAB O=C(c1ccccc1F)N(Cc1c(F)cccc1Cl)c1ccccn1 28289604 FMSHIILJFSJOAM-UHFFFAOYSA-N 358.775 4.860 0 40 FJAB Cc1csc(N(C(=O)c2ccc(Cn3cccn3)cc2)c2ccccc2)n1 29030843 SVYDZDGMDZAYKU-UHFFFAOYSA-N 374.469 4.675 0 40 FJAB CCSc1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)s1 30611651 OMFXUBMJHMPWKZ-UHFFFAOYSA-N 362.307 4.528 0 40 FJAB O=C(CCCc1ncc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 31662604 NNANDRGUQRUUDT-UHFFFAOYSA-N 364.489 4.749 0 40 FJAB CN(Cc1ccc(Br)s1)C(=O)/C=C/c1ccccc1Cl 32503992 ZQDJFRVHTFAJBU-RMKNXTFCSA-N 370.699 4.836 0 40 FJAB Cc1oc(-c2ccccc2)nc1CSCC(=O)N[C@@H]1CCCC[C@H]1C 32779187 QCQYGFOPRVUZKS-RHSMWYFYSA-N 358.507 4.578 0 40 FJAB CC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n(C)c1 32842502 HDTQXBTUCDAGOH-UHFFFAOYSA-N 368.820 4.926 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCCc4cc(F)c(F)cc43)s2)o1 33168457 KIHJXTBUJABJMF-UHFFFAOYSA-N 374.412 4.891 0 40 FJAB Cc1ccn2cc(C(=O)N(C3CC3)[C@H](C)c3ccc(Cl)cc3)nc2c1 40070288 JFTJUYOBZKOYRB-CQSZACIVSA-N 353.853 4.662 0 40 FJAB CCCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)c2ccccc12 41095627 OIOQWXRKEMEEHE-UHFFFAOYSA-N 361.507 4.582 0 40 FJAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccsc2)cc1Cl 55689260 VFUMYBYAUZKBEK-LBPRGKRZSA-N 362.882 4.668 0 40 FJAB CSc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 58164889 KGVLCXYELREGMQ-UHFFFAOYSA-N 353.487 4.764 0 40 FJAB O=C(c1ccc(-c2ccccc2F)s1)N1CCCC[C@H]1c1ncc[nH]1 58167981 HEESYBZIRUUQSL-HNNXBMFYSA-N 355.438 4.645 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72214308 ZNEMIIZGZRDHHN-GOSISDBHSA-N 353.466 4.766 0 40 FJAB COc1ccc(OCCCC(=O)Nc2c(Cl)cccc2Cl)cc1 75284033 HVSTWSJOCKMDHV-UHFFFAOYSA-N 354.233 4.800 0 40 FJAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2F)n1 95364844 DJXPOUSZCPMBAX-UHFFFAOYSA-N 361.779 4.673 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2C[C@@H](C)C[C@@H](C)C2)c(C)cc1N 216866429 WUQMNXDSSCVRBA-GASCZTMLSA-N 351.494 4.620 0 40 FJAB Cc1onc(C2CC2)c1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 658466001 YLDISVTXXPNHAY-HNNXBMFYSA-N 360.457 4.811 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2oc3c(C)ccc(C)c3c2C)cc1 1124489448 GEZAWTQYFAXRCH-UHFFFAOYSA-N 351.402 4.787 0 40 FJAB O=C(NCc1cc(-c2ccco2)cs1)c1ccccc1Br 1775967716 AICGGSZJBHZAPB-UHFFFAOYSA-N 362.248 4.701 0 40 FJAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3ncccc3C)cs2)nc1 2037846574 RKJHKJNJJWGIAD-SFHVURJKSA-N 365.506 4.631 0 40 FJAB Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1 633720 WQSAURARIIAFQA-UHFFFAOYSA-N 352.850 4.898 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)c(C)c1 682935 ADQHPBSQNNJQDK-UHFFFAOYSA-N 361.283 4.856 0 40 FJAB O=c1c(CN2CCCCC2)c(-c2ccccc2)[nH]c2ccc(Cl)cc12 934619 WDXDRAVWMFCUEO-UHFFFAOYSA-N 352.865 4.834 0 40 FJAB O=C(OC[C@H]1CCCO1)c1cccc(COc2ccc3ccccc3c2)c1 2750445 YORVDCVLDCSSRV-JOCHJYFZSA-N 362.425 4.755 0 40 FJAB CCc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)s1 2754955 TVVYWLJZUZNRDX-UHFFFAOYSA-N 366.471 4.630 0 40 FJAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1 4223275 XTWUPNOAEGNUJJ-UHFFFAOYSA-N 355.850 4.525 0 40 FJAB Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(F)cc3)nc12 4678299 CCOYVMBOMHHAFB-UHFFFAOYSA-N 370.225 4.908 0 40 FJAB Cn1c(SCc2nc3ccccc3s2)nnc1-c1ccccc1F 4946952 FSJPHOYZAVKSEP-UHFFFAOYSA-N 356.451 4.523 0 40 FJAB COc1ccc(-n2c(SCc3cc(C)on3)nc3ccccc32)cc1 5270438 VSVVQEGTFCEWCI-UHFFFAOYSA-N 351.431 4.623 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1CCc1ccccc1 5575718 JJCCVFBBBPUMKZ-CCEZHUSRSA-N 368.436 4.515 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(CN3CCCC3)cc2)c1 6592700 PJVMMDJBCNLHAQ-UHFFFAOYSA-N 352.478 4.714 0 40 FJAB CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(C)c1 6629913 XZHAEUNYRSTCQB-UHFFFAOYSA-N 360.885 4.821 0 40 FJAB O=C(Nc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 6747984 XCHWKDWIYGOUQQ-UHFFFAOYSA-N 373.840 4.814 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cnc2ccccc2n1 7213514 IXULKEGKBUMABR-UHFFFAOYSA-N 372.862 4.721 0 40 FJAB COc1ccccc1Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 7278903 DTSVIBYCNCATTL-UHFFFAOYSA-N 357.410 4.660 0 40 FJAB CC(C)c1ccc(-c2noc(COC(=O)c3c[nH]c4ccccc34)n2)cc1 7989604 OAFLWGNQBWHZET-UHFFFAOYSA-N 361.401 4.698 0 40 FJAB CCc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cc(C)cc(C)c2)C(=S)N1 8023640 MBHQAUMFTMMZFO-RXVVDRJESA-N 352.503 4.800 0 40 FJAB CCn1/c(=N\C(=O)c2cccc(F)c2)sc2c3ccccc3ccc21 8654197 NKAMRABPOXMXAZ-LSDHQDQOSA-N 350.418 4.756 0 40 FJAB Cc1cc(C)c2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 8868001 VZSQJEXPSMZYSJ-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB Cc1ccccc1-n1nnnc1SCc1ccc(Cl)c(Cl)c1 9257933 NKHRZSJODNOEDL-UHFFFAOYSA-N 351.262 4.570 0 40 FJAB COc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(C)C 10542670 YQOATXVBGOTQRX-UHFFFAOYSA-N 355.478 4.710 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccccn3)on2)cc1 12088739 FWXMGJMKVHEDCI-OAQYLSRUSA-N 363.461 4.863 0 40 FJAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)no1 12543487 VQVBSQUUUSCKOT-UHFFFAOYSA-N 367.371 4.999 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H](c1ccccc1)c1ccccn1 12608920 QGSVAGSJASTIIC-FQEVSTJZSA-N 371.267 4.837 0 40 FJAB CCOc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12758477 HFXMZYRVBZYBJG-OAHLLOKOSA-N 366.486 4.715 0 40 FJAB Cc1ccccc1CC(=O)Nc1nc2c(C(F)(F)F)cccc2s1 12821611 IPHDIUMORIIVFX-UHFFFAOYSA-N 350.365 4.805 0 40 FJAB Cc1ccc2nc(NC(=O)c3cc(F)ccc3Br)sc2c1 13002147 GWXGQKLVLHESOJ-UHFFFAOYSA-N 365.227 4.759 0 40 FJAB CCNCc1ccc(-c2ccc(Br)cc2Br)o1 13730674 FDGJNKJAAPRIBH-UHFFFAOYSA-N 359.061 4.581 0 40 FJAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 14651652 TZODZCSJQKPPSF-UHFFFAOYSA-N 352.203 4.629 0 40 FJAB Cc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1C 16350146 XHFNEPARYDPPGQ-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 22511166 DJVCHHPAEDIOLQ-UHFFFAOYSA-N 364.489 4.682 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nccc(C(F)(F)F)n1 26479672 VINMFHPYNUGJMT-SNVBAGLBSA-N 365.380 4.649 0 40 FJAB O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1cc2ccccc2[nH]1 38671595 OKIKMYYDZOFZRQ-UHFFFAOYSA-N 372.472 4.748 0 40 FJAB CCSc1ccccc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 38677674 RHSKCHLLPBJCGG-UHFFFAOYSA-N 368.502 4.876 0 40 FJAB CCOc1cc(CN[C@H](C)c2ccncc2)ccc1OCc1ccccc1 39976535 XEMSHSXDFVJKDC-GOSISDBHSA-N 362.473 4.910 0 40 FJAB Cc1ccc(C)c2sc(NNCc3ccc(Br)cc3)nc12 40542203 BUYLXLQHVLOVCI-UHFFFAOYSA-N 362.296 4.792 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(C(F)(F)F)cc1 44608014 AGKAKKFWVXEJRP-HNNXBMFYSA-N 358.404 4.907 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1 44840051 HEOJTCDWCLESIG-IBGZPJMESA-N 361.869 4.631 0 40 FJAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNc2cccc(F)n2)cc1 60569677 JTSQUTFLOSGBGI-UHFFFAOYSA-N 362.383 4.825 0 40 FJAB CCCCNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213653 CAPJYAPRYXWKCM-IBGZPJMESA-N 353.466 4.767 0 40 FJAB CCN(C(=O)Nc1cccnc1Cl)[C@H](Cc1ccc(C)cc1)C1CC1 72304768 AEVOGMYNWPJGQZ-GOSISDBHSA-N 357.885 4.919 0 40 FJAB CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344248 ZDMGDOXRFHUUNG-CHWSQXEVSA-N 370.305 4.786 0 40 FJAB Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@@H]1COc2ccccc21 89517377 OYTOMXNSICLWAG-RDTXWAMCSA-N 350.487 4.827 0 40 FJAB CC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 102112689 HKFJCIANJHBGAS-JOCHJYFZSA-N 360.461 4.604 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219317752 UXHGARIBDQPSMP-UXHICEINSA-N 367.489 4.879 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1Cl 223390341 GPGNFGTXWVLSIL-LBPRGKRZSA-N 370.301 4.669 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1F 225303123 GLTXSCQTLACVTL-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB Cc1ccnc(NC(=S)NCCCSCc2ccccc2Cl)c1 225608280 HVYHBIXLPVDQQX-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2cccnc12 225861869 FCGYAFFPPOWSMP-UHFFFAOYSA-N 364.420 4.833 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 226281159 ZLWZQCNLCYCNAC-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 226336693 FYYGQFNQOJDCHL-WEVVVXLNSA-N 364.800 4.643 0 40 FJAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccccc1 585147856 DDWIEEOSINJYOA-HZPDHXFCSA-N 371.527 4.820 0 40 FJAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 857468 OTQOHALNLRBTQT-LJQANCHMSA-N 360.457 4.582 0 40 FJAB C/C(Cl)=C/CSc1nc2ccccc2c(=O)n1Cc1ccccc1 1301474 GJQYGSMXLYZAJA-KAMYIIQDSA-N 356.878 4.680 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Oc1ccc2oc3ccccc3c2c1 2685091 JOFVNVXEZXOYLT-UHFFFAOYSA-N 356.374 4.801 0 40 FJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCCc2ccccc21 5146638 FOMUIPVMFGKOKK-UHFFFAOYSA-N 373.481 4.585 0 40 FJAB CC1=C[C@@H]([C@H](O)C(C)C)[C@](C)(Cc2ccc(C)cn2)N[C@H]1c1ccccc1 5389722 LLQAHZZCUBNWMJ-KEZOAJOQSA-N 364.533 4.615 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(Cl)cc1 6184375 WNBKPSXKRUDZKC-UHFFFAOYSA-N 361.228 4.887 0 40 FJAB O=c1c(-c2cccs2)nc2cc(Cl)ccc2n1Cc1ccccc1 6600470 CIBMVKQSERUXHS-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)C2CC2)cc1 7242618 CEUUAJXJDZCODA-HNNXBMFYSA-N 362.473 4.691 0 40 FJAB COc1ccc(CNCc2ccc(OCc3ccccc3)c(OC)c2)cc1 7538300 XNKNSBYVRHWPBV-UHFFFAOYSA-N 363.457 4.573 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 7640381 ZWRDCUOZUILUTI-UHFFFAOYSA-N 374.893 4.588 0 40 FJAB COc1ccc(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1 8315024 LYFPCGIILGCSNC-SNVBAGLBSA-N 371.239 4.702 0 40 FJAB COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 8336178 MVABSCDIFGJYNT-CXUHLZMHSA-N 359.834 4.898 0 40 FJAB C[C@@H](Sc1nncn1-c1ccccc1)c1nc2ccccc2n1C(F)F 8746506 SKIZEWBDCPPLKY-GFCCVEGCSA-N 371.416 4.865 0 40 FJAB COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccccc1Cl 9141858 MHBITEPJMYSDLH-UHFFFAOYSA-N 360.841 4.586 0 40 FJAB CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2C)n1 9846093 FMTUTXFCGZIHGX-UHFFFAOYSA-N 351.475 4.857 0 40 FJAB C=Cn1ncc(CN(Cc2cccs2)C2CC(C)(C)NC(C)(C)C2)c1C 12186545 WYEVFAPYHASOCX-UHFFFAOYSA-N 372.582 4.665 0 40 FJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F 12898154 UGNGCUPUUHDVJE-SECBINFHSA-N 364.442 4.949 0 40 FJAB Cc1c([C@@H](C)NC(=O)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 12915517 CTBCBJMEAQHDAJ-CYBMUJFWSA-N 373.378 4.691 0 40 FJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCc1ccco1 14129434 CPMIPKNERAPKCK-UHFFFAOYSA-N 364.276 4.738 0 40 FJAB COc1ccc(-n2c(-c3ccccc3)cnc2Nc2nc(C)cc(C)n2)cc1 14163150 JAWCICUNUKSPGI-UHFFFAOYSA-N 371.444 4.698 0 40 FJAB Cc1csc(SCc2ccc(C(=O)NCCc3cccs3)cc2)n1 14241213 KMIWZEYDXVLCJU-UHFFFAOYSA-N 374.556 4.778 0 40 FJAB Cc1sc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)nc(N)c2c1C 14258904 LIZVCFZBIHUJGO-UHFFFAOYSA-N 374.469 4.810 0 40 FJAB O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14609387 AKHYAVPIXPHGIV-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB Cc1nc2cc(NC(=O)/C=C/c3ccc(Br)s3)ccc2o1 15597881 XQHXGPVQYONOPU-QPJJXVBHSA-N 363.236 4.612 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)nc2ccc(Cl)cc12 15829187 YBEGQAUMXQRRBN-UHFFFAOYSA-N 356.809 4.548 0 40 FJAB O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 20365946 TXZHGHRBIZLEKV-OAQYLSRUSA-N 355.840 4.505 0 40 FJAB Cc1ccc(-c2cc(C(=O)Oc3ccccc3Br)no2)cc1C 20896689 FIBKQZSMGSYFJM-UHFFFAOYSA-N 372.218 4.940 0 40 FJAB Cc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)o1 21786855 LKAVZBYHTUYAPD-UHFFFAOYSA-N 371.234 4.593 0 40 FJAB CSc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 22509181 ILHDFWUIKITQQF-MRXNPFEDSA-N 354.519 4.893 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 24356240 AXADMOSRIACUOF-UHFFFAOYSA-N 373.884 4.684 0 40 FJAB Cc1ccoc1C(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24641293 JAGUOKYFCHEXBD-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30944006 VQORJZJXOCTZCI-GOSISDBHSA-N 362.945 4.781 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1OC 31245293 QWILINNFQSHVIP-UHFFFAOYSA-N 369.461 4.597 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3cnccc3o2)c1 32102025 YLVPYBXWOIKGJG-UHFFFAOYSA-N 363.804 4.724 0 40 FJAB Cc1cccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c1 33262425 NNWSJWVLMPEPLC-UHFFFAOYSA-N 360.442 4.794 0 40 FJAB CCOC(=S)S[C@H]1c2ccccc2C=CN1CC(=O)c1ccccc1 34798473 OFKAKWQZGHNRMX-IBGZPJMESA-N 369.511 4.909 0 40 FJAB O=C(NCCSc1ccccc1)c1ccc(CN2CCCCCC2)cc1 38836584 CCQBIQNEJKSQSR-UHFFFAOYSA-N 368.546 4.585 0 40 FJAB COc1ccc(Cl)cc1CS(=O)(=O)Cc1cccc2ccccc12 40070083 BOVBUUHSNCSDFA-UHFFFAOYSA-N 360.862 4.617 0 40 FJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)no2)cc1 41155694 OGBINFHXKZCLJV-CQSZACIVSA-N 370.836 4.501 0 40 FJAB CCCC[C@H](CC)CNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1 48355699 LKLIILVUJJJKPV-KRWDZBQOSA-N 359.514 4.569 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 57413158 BZWAEPMWIPOFGI-UHFFFAOYSA-N 355.397 4.685 0 40 FJAB Nc1nc(Cl)cc(Nc2ccc(NCc3ccccc3)c(Cl)c2)n1 57995787 DMTNDSOFOLMFAY-UHFFFAOYSA-N 360.248 4.721 0 40 FJAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3Cc3ccccc3)n2)n1 72375104 OZFFTBSOIXIZSJ-HXUWFJFHSA-N 359.477 4.569 0 40 FJAB CCCc1nnc(CSc2nc(C)nc3sc(C)c(C)c23)s1 89960564 GCBSSAHJWBSZFV-UHFFFAOYSA-N 350.538 4.713 0 40 FJAB COc1ccc2nc(NC(=O)C34CC5C[C@@H](CC[C@H](C5)C3)C4)sc2c1 101024413 XZVJDXOYSNRSQB-CWTUVTILSA-N 356.491 4.850 0 40 FJAB CC(C)CSc1nnc(NC(=O)[C@H](C)SCc2ccccc2)s1 223164620 JZUOWNQLRVBRHF-LBPRGKRZSA-N 367.565 4.547 0 40 FJAB C[C@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccsc3)CCCC2)s1 225682336 LLIFYACWONQFFS-GBXSZLQWSA-N 361.532 4.504 0 40 FJAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cn1 225895784 JMPVZRJFXHTTLZ-UHFFFAOYSA-N 350.503 4.676 0 40 FJAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 408600771 FZKDYIUQIUXPHG-LDADJPATSA-N 371.433 4.851 0 40 FJAB CC(C)C[C@@H](C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C)n1cccc1 526052511 KSZNKMAJAHGKSK-XLIONFOSSA-N 366.509 4.883 0 40 FJAB Fc1cccc(Br)c1-c1nnc(-c2ccccc2Cl)o1 1322060008 TVAVHZHCWBIQIW-UHFFFAOYSA-N 353.578 4.959 0 40 FJAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 655491 DFWHDHFBQSMROE-BKUYFWCQSA-N 373.383 4.749 0 40 FJAB Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)c(C)c2)cc1C 845955 VHJFYYJJZOXFRD-UHFFFAOYSA-N 360.421 4.734 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 1188571 QXLRMJQVNQLTPB-WCTLISOUSA-N 350.443 4.657 0 40 FJAB CCN(C(=O)c1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356410 JGSVIGKRIIQBAR-UHFFFAOYSA-N 355.463 4.762 0 40 FJAB CSc1nc(Sc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 1403690 PRZBLJFTWNTNJY-UHFFFAOYSA-N 368.462 4.828 0 40 FJAB COc1ccc(Cc2c3ccccc3cc[n+]2Cc2ccccc2)cc1OC 1582093 RDDARGZQTGTWRY-UHFFFAOYSA-N 370.472 4.784 0 40 FJAB Cc1cc(=O)oc2cc(OCCOc3ccc(C(C)(C)C)cc3)ccc12 2083443 WBKLOOKYFFDGHD-UHFFFAOYSA-N 352.430 4.857 0 40 FJAB CCOCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2412872 CPWMEZGZNIDUPG-UHFFFAOYSA-N 358.507 4.557 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 2617899 OHGAONAVAFGAKE-JTQLQIEISA-N 354.631 4.509 0 40 FJAB CCCC(=O)NCCCc1nc2ccccc2n1Cc1cc(C)ccc1C 2721522 XPHPTWQBCVCXGR-UHFFFAOYSA-N 363.505 4.550 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 3298253 FBPPHINLLJNRJM-IBGZPJMESA-N 353.462 4.929 0 40 FJAB C[C@@H]1CCCC[C@H]1NC(=S)NC(=O)c1sc2ccccc2c1Cl 3304767 IOHVPGUCACLZMB-ZYHUDNBSSA-N 366.939 4.738 0 40 FJAB CC(C)Oc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138194 VKOPFUZQRDGYIR-UHFFFAOYSA-N 362.473 4.764 0 40 FJAB CC(C)=C[C@H]1[C@H](C(=O)O[C@H](C)c2cc3c(cc2Cl)OCO3)C1(C)C 4748224 LQIDMCQVHFVMEI-BTJLNZGRSA-N 350.842 4.911 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 5124846 LCCBRBUNCADFCU-UHFFFAOYSA-N 369.471 4.865 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@H](C)C4)c(C)c1 5214447 GTUHIOCHOSZVKE-AWEZNQCLSA-N 369.486 4.975 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1cccnc1-c1nc2ccccc2s1 5451177 RGHDMWNBMPGXMU-AWEZNQCLSA-N 371.465 4.950 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cccs2)cc1 6679082 FUGOKBUSXOKKAF-GUYCJALGSA-N 369.515 4.714 0 40 FJAB O=C(C[C@H]1C=CCC1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 6935633 UZAJWICFUWHUQU-OYHNWAKOSA-N 368.404 4.833 0 40 FJAB CCCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 7261672 IYVMFEVXVTXBBV-UHFFFAOYSA-N 351.849 4.956 0 40 FJAB COc1cc(C(C)=O)ccc1OCC(=O)c1cc(Cl)sc1Cl 8246026 LOMZZKPCNZSNBQ-UHFFFAOYSA-N 359.230 4.528 0 40 FJAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062930 FYKJLHSDQZSXCZ-UHFFFAOYSA-N 350.506 4.717 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)c(C)c1 9220982 HSPSXSJCNFWIGA-UHFFFAOYSA-N 368.484 4.841 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 9314649 HIIMVKVZZAEENL-LSDHHAIUSA-N 372.490 4.554 0 40 FJAB COc1cccc([C@@H]2CC(c3cccs3)=NN2c2nc(C)cs2)c1 9481050 CQMQSKXUHSBAGP-INIZCTEOSA-N 355.488 4.877 0 40 FJAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc(C)n(C4CC4)c3C)cc2c1C 9552249 VMPIIHCEOIMGKH-UHFFFAOYSA-N 364.445 4.578 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 10328911 UONMYXMJHWDWEE-UHFFFAOYSA-N 364.489 4.583 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188103 NNQZUPCUVGVSOB-INIZCTEOSA-N 352.384 4.533 0 40 FJAB COC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C)c1 12932660 JTSRGTOMBMDKQI-UHFFFAOYSA-N 359.834 4.902 0 40 FJAB C[C@@H]1CCN(C(=O)c2csc(-c3ccco3)n2)c2ccccc2S1 12944913 MZSSUUNXFQNGMR-GFCCVEGCSA-N 356.472 4.934 0 40 FJAB Cc1cc(C(=O)Oc2ccc(Cl)c3ccccc23)c2c(C)noc2n1 14206209 PMQNJCLZQINPKK-UHFFFAOYSA-N 352.777 4.865 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14399363 FGPZQAHDMLUXMK-INIZCTEOSA-N 354.233 4.798 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665187 SMGJHXGQYPGZQO-OAHLLOKOSA-N 369.461 4.567 0 40 FJAB COc1cc2c(cc1OC)[C@@H]([C@@H]1CC=CCC1)N[C@@H](c1ccc(C)cn1)C2 19216050 KCOOJXQVUATHNA-AYPBNUJASA-N 364.489 4.692 0 40 FJAB CCCCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 20868989 MSPGZFMGRLJTIY-NRFANRHFSA-N 372.553 4.736 0 40 FJAB COc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC 22783255 YMPWZVGFYMYOBC-NSHDSACASA-N 370.276 4.870 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)C)cc3)n2)cc1 27795630 DTAADILKVYJIEG-UHFFFAOYSA-N 367.474 4.654 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCc1ccc(Cl)cc1 28242686 BMOKABBNBLIXTQ-UHFFFAOYSA-N 367.880 4.773 0 40 FJAB O=C(NC1CCCC1)c1ccccc1CSc1nc2ccccc2o1 29568942 UUPGIFNGWXLZSV-UHFFFAOYSA-N 352.459 4.793 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 39744247 YDCWURBYAIWVRE-UHFFFAOYSA-N 350.506 4.771 0 40 FJAB Cc1cc(NC(=O)[C@H](C)Oc2cccc(C)c2C)ccc1Br 44843893 WZYANMWCBWAVJU-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB COc1ccc(CNCc2ccc(Oc3ccc(F)cc3)cc2)cc1O 48310696 HBCRAZUPGCAQPY-UHFFFAOYSA-N 353.393 4.622 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccc(Cl)cc1 49548389 WXZZZLKWXKVCAX-MRXNPFEDSA-N 367.836 4.717 0 40 FJAB Cc1ccc2[nH]cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c(=O)c2c1 57354776 VETPWVAKURWJAC-UHFFFAOYSA-N 371.318 4.572 0 40 FJAB CC(C)(NCn1nc(-c2cccs2)n(C2CC2)c1=S)c1ccccc1 57995078 WBAZHQIJYAHSGC-UHFFFAOYSA-N 370.547 4.960 0 40 FJAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c1C 67296226 KJUHAUNLEBWCDY-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2F)nc1 67296515 YKFCIQTUZWGXEY-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 72380275 BYQPQARFXAKBEL-QGZVFWFLSA-N 355.457 4.502 0 40 FJAB O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1c1ccc(F)cc1 103278077 TYDGTSVTARZEQV-FQEVSTJZSA-N 357.384 4.518 0 40 FJAB O=C(Nc1cc(-c2ccccc2)on1)NC1CCC(C(F)(F)F)CC1 127096716 PYFXJHJHBXLTMI-UHFFFAOYSA-N 353.344 4.584 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(OC2CCCC2)cc1 223909402 PZRIPKNYHSOUKK-UHFFFAOYSA-N 365.473 4.904 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1cccc(C)c1 224473934 SWOZWXWHLRZRMH-GOSISDBHSA-N 363.910 4.714 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224966280 OVNZLDCYHGJXFJ-FQEVSTJZSA-N 352.478 4.781 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C 225666417 VEQGGFVNRDNFAF-GOSISDBHSA-N 360.542 4.511 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225867783 RAKTVGHKLIDAEV-MRXNPFEDSA-N 367.474 4.618 0 40 FJAB CCCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225885165 OFODFVUZTVPPBV-UHFFFAOYSA-N 364.530 4.985 0 40 FJAB COC(=O)c1ccc(Cc2ccc(C)cc2)n1Cc1ccc(Cl)cc1 226030024 FXQAGQLNISCDOZ-UHFFFAOYSA-N 353.849 4.876 0 40 FJAB CCOC(=O)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 226357688 XWKWXOKZBQIXRX-UHFFFAOYSA-N 363.196 4.944 0 40 FJAB O=C(c1cccs1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257208558 BMQRGNMNJPTPEG-KRWDZBQOSA-N 370.449 4.833 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408563156 UIKLHWNBIQDFBD-DQRAZIAOSA-N 350.487 4.903 0 40 FJAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408571335 AHMZQVZJEVBNDY-WYMLVPIESA-N 362.454 4.781 0 40 FJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2[C@@H](C)CC)CC1=O 408650290 ASEUPBINBGMJIU-WMZOPIPTSA-N 365.473 4.721 0 40 FJAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)c1 408697149 FDIDIBZORHWDDB-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)cc1 408699208 VMDILMHFMRNFTE-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409020698 SEZCYGMXBUZYPT-OTIXFSKASA-N 360.262 4.837 0 40 FJAB CCN1C(=O)/C(=C\c2ccc(OC)c3cccc(OC)c23)c2ccccc21 409111410 AJZOJIBUXJMYHW-JXAWBTAJSA-N 359.425 4.764 0 40 FJAB CC[C@H](Oc1ccccc1C)c1nnc([C@@H]2Cc3ccccc3CO2)o1 1616030792 FWROYDBLZPYQAS-HKUYNNGSSA-N 350.418 4.722 0 40 FJAB CC(=O)N[C@@H]1C[C@H](c2ccc(-c3cccc(F)c3)cc2)O[C@@H]2CCC[C@@H]12 1848353365 DFEGETZYVHQKAG-DXBBTUNJSA-N 353.437 4.628 0 40 FJAB CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 1857793271 HLBPSKSQGOREQB-NRFANRHFSA-N 366.505 4.698 0 40 FJAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 853657 VXCDPVZTRJDPEC-UHFFFAOYSA-N 365.458 4.617 0 40 FJAB Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1C 1095881 NOACUDJXSYPJOJ-UHFFFAOYSA-N 350.281 4.797 0 40 FJAB CCOC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(Cl)cc1Cl 2381249 ZEOUDONSOZRLAT-UHFFFAOYSA-N 355.265 4.712 0 40 FJAB Cc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 3386433 SWSIGLUGWDRUDB-UHFFFAOYSA-N 360.280 4.835 0 40 FJAB CNC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 3469556 VBCQIUJKLRRIDI-UHFFFAOYSA-N 362.376 4.856 0 40 FJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3cccs3)CN12 4085125 ROAFZKVQEMKIRR-IIBYNOLFSA-N 356.450 4.920 0 40 FJAB biogenic CC1(C)[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@]1(C)C(=O)O 4474064 XHROHRKPVNEWHD-XMSQKQJNSA-N 367.445 4.945 0 40 FJAB Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccco1 4503073 ZGSJOVCHQIEOMV-UHFFFAOYSA-N 360.369 4.839 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1)c1ccccc1 4700828 FFGRJZINQUQPBD-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB CC(C)[C@H](Nc1ncnc2sc3c(c12)CCC3)c1nc2ccccc2[nH]1 6664269 ZIKHZLLQCPQCEQ-KRWDZBQOSA-N 363.490 4.866 0 40 FJAB Cc1csc(N(C(=O)CCc2nc3ccccc3o2)c2ccccc2)n1 6881094 KPGMSATUKLTXMG-UHFFFAOYSA-N 363.442 4.890 0 40 FJAB O=C(NCc1ccccc1)[C@H](Sc1nc2ccccc2o1)c1ccccc1 8569833 WJZPATFDIBBWKO-HXUWFJFHSA-N 374.465 4.978 0 40 FJAB O=c1[nH]c(Cc2ccc(F)cc2)nc2scc(-c3ccc(F)cc3)c12 8692515 RSOODJIGEVJLMK-UHFFFAOYSA-N 354.381 4.521 0 40 FJAB aggregator O=C(c1ccccn1)N(CCc1ccccc1)c1nc2ccccc2s1 8733949 ZTIDHESWADUKLL-UHFFFAOYSA-N 359.454 4.581 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8869613 GOQRSEAPQWJXPQ-UHFFFAOYSA-N 371.824 4.677 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)nc1Cl 9134529 VSBWKACOTNBBIJ-UHFFFAOYSA-N 351.111 4.539 0 40 FJAB COc1ccc(-c2c(NC(=O)C(C)C)oc3ccc(Cl)cc3c2=O)cc1 9419051 MNUBEVYPGGLRNV-UHFFFAOYSA-N 371.820 4.717 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 10156645 PEQBAZKJOAOTBC-AWEZNQCLSA-N 365.383 4.720 0 40 FJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCCCC1 11566022 VBMFFHSJLDUKCL-UHFFFAOYSA-N 367.555 4.862 0 40 FJAB CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 12913970 FORBQMXSRUZIMO-HXUWFJFHSA-N 350.462 4.552 0 40 FJAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2)c1 13167855 JNPYZBLSYKSLJP-UHFFFAOYSA-N 351.789 4.958 0 40 FJAB C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccc2ccccc2c1 15625370 SAXMUQKFPGEEET-DBTPVHCXSA-N 353.425 4.674 0 40 FJAB Cc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 16959453 FIZPZSRQWZQDJK-UHFFFAOYSA-N 355.441 4.574 0 40 FJAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1c(F)cccc1Cl 22768697 MYWSHPYXSCQSCC-UHFFFAOYSA-N 370.767 4.810 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 26315620 FMCXMHNYQPNELV-ZIAGYGMSSA-N 373.884 4.762 0 40 FJAB C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CC12CC3CC(CC(C3)C1)C2 27782634 GTISVVVUIWFVSP-BZSISCHUSA-N 351.494 4.946 0 40 FJAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCCCC1 29462501 QRSWWLRHISIISI-UHFFFAOYSA-N 350.393 4.774 0 40 FJAB C[C@@H](Sc1ncn(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F 31202104 HLAMMNQVPDXCHJ-GFCCVEGCSA-N 371.416 4.865 0 40 FJAB CC(=O)Nc1ccc(CC(=O)Nc2ccccc2N(C)c2ccccc2)cc1 32931784 MVNJTHJGGLJJGC-UHFFFAOYSA-N 373.456 4.594 0 40 FJAB C[C@@H](Cc1cccs1)NC(=O)c1cc(Br)ccc1Cl 33203602 YLULOBAPPMEMAQ-VIFPVBQESA-N 358.688 4.525 0 40 FJAB Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 36246431 RFGQTWPDYSVHLH-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB O=C(c1ccccc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 45932664 SRDWSWBCAQBPIB-UHFFFAOYSA-N 366.461 4.759 0 40 FJAB Cc1cc(Oc2ccc(-c3ccccc3)cc2)n2nc(C(F)(F)F)nc2n1 58723303 ZPCPNVBXYATOPK-UHFFFAOYSA-N 370.334 4.911 0 40 FJAB CCc1nccn1-c1cccc([C@H]2CCCN(CCCc3ccccc3)C2)n1 72379112 GTESYNOVIUNUHX-NRFANRHFSA-N 374.532 4.642 0 40 FJAB CCC(CC)C(=O)N1CCCC[C@H]1c1nc(C)ncc1-c1onc(C)c1C 72390730 DTKNBWXQERQCAC-SFHVURJKSA-N 370.497 4.547 0 40 FJAB CC(C)(C)OC(=O)N1CCC(CNc2cccc(C(F)(F)F)c2)CC1 89212605 OYCJYFCBQCJNKK-UHFFFAOYSA-N 358.404 4.764 0 40 FJAB CCc1cc(C(=O)N2CCC(CCN(CC)CC3CC3)CC2)sc1C 95458125 UAMCOLVRQNFTCW-UHFFFAOYSA-N 362.583 4.593 0 40 FJAB CCCc1ccc(C(=O)Nc2ccc(N3CCC[C@H](OC)C3)cc2)cc1 96122440 XDCNJXGEBUWBFF-NRFANRHFSA-N 352.478 4.507 0 40 FJAB CCC[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 103423318 GGUZNMWDBFDWPA-LKFAQNRMSA-N 355.522 4.838 0 40 FJAB Cc1ccccc1[C@H]1CCN(C(=O)c2nccc3ccccc23)CCS1 219291195 PKRIMNADQMUPGB-HXUWFJFHSA-N 362.498 4.864 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(Cl)c3)N21 222664876 RCOGFSMZVNJCSV-DOPJRALCSA-N 373.909 4.723 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1 223117572 WZMVJPJXBZMZFJ-QFIPXVFZSA-N 353.506 4.902 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223413014 ROTJTDSEAXYADY-QGZVFWFLSA-N 371.546 4.801 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc2ccccc2c1 223622191 ZMYUIBGFNRWSEM-JOCHJYFZSA-N 363.457 4.501 0 40 FJAB CCCSc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 225115412 PAXSJXQFQNVPGW-UHFFFAOYSA-N 373.956 4.815 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c(C)c1 225537554 IJGITROGWIMJEY-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225740929 CIMKGMACPVSCQX-LIRRHRJNSA-N 371.905 4.678 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1Cl 408585761 JFVCADGREDGCPC-UHFFFAOYSA-N 367.898 4.664 0 40 FJAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 408595260 LRQJOUSAXCYXJG-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB O=Cc1ccc(OCc2ccc(Br)cc2Br)cc1 409187949 VXYCBYQFDYFMJG-UHFFFAOYSA-N 370.040 4.603 0 40 FJAB CCCc1ccc(C(=O)CCC(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1 647409232 RPLGDKFWTVCCHB-FQEVSTJZSA-N 365.473 4.745 0 40 FJAB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 678052 QOGJNYXSKWRPEZ-UHFFFAOYSA-N 369.679 4.609 0 40 FJAB CC(C)Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 938283 KDTXNLCLSZWUPT-UHFFFAOYSA-N 351.884 4.857 0 40 FJAB CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1C(C)C 1364263 NOXMXDAHVLXENQ-UHFFFAOYSA-N 366.918 4.504 0 40 FJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCCCCC3)sc21 2401008 MWZJWGUFKIBGKW-UHFFFAOYSA-N 353.491 4.720 0 40 FJAB Cc1ccccc1SCCNC(=O)Nc1ccc(Br)cc1 3153212 JCTNUBMQTHXUDZ-UHFFFAOYSA-N 365.296 4.671 0 40 FJAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 3176904 LXYHPQQUHZHMTJ-QGZVFWFLSA-N 362.366 4.773 0 40 FJAB Cc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c1 4305001 BDQUJIGYJJAFAT-FQEVSTJZSA-N 361.445 4.514 0 40 FJAB Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1F 5235042 QWJVBANXMJNGND-UHFFFAOYSA-N 369.461 4.525 0 40 FJAB COc1cccc(OC)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 5257467 VGMJGWDITQCNES-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB Oc1ccccc1-c1n[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 5649819 BLIZLXWOCXJVSN-UHFFFAOYSA-N 352.246 4.776 0 40 FJAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 8071588 XFDSZDJFHZKCJW-UHFFFAOYSA-N 374.209 4.778 0 40 FJAB CN(C)CCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8373868 QKXPOLCGSPTCRV-UHFFFAOYSA-N 367.320 4.614 0 40 FJAB Cc1ccc(-c2cc(NC(=O)COc3ccc(Cl)c(C)c3)on2)cc1 8612401 SEPBKYXYQZDHCM-UHFFFAOYSA-N 356.809 4.629 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(C)cc2)no1 8612408 LZJMDZHAJLHOAY-SFHVURJKSA-N 354.381 4.585 0 40 FJAB COc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 8938010 RAPHXYTZSGVWBY-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9063271 OTGIHBUSPIXXQI-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C3CCCCC3)ccc1O2 9135352 ZEVCGBOHQKVLEN-UHFFFAOYSA-N 364.445 4.896 0 40 FJAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10329427 KFEQONRIUFCJBQ-UHFFFAOYSA-N 352.478 4.712 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 11637115 BVTBQUWAMJGBBG-KRWDZBQOSA-N 369.461 4.666 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccccc3)ns2)c1 11914945 LHYFZLCIXULBCN-UHFFFAOYSA-N 367.474 4.654 0 40 FJAB CC1(C)Cc2c(cnn2Cc2ccccc2Cl)[C@H](NC(=O)C2CCC2)C1 12325974 VLQMUYMWPLODAN-GOSISDBHSA-N 371.912 4.515 0 40 FJAB C[C@@H](NC(=O)NCc1ccccc1OC(F)F)c1cc2ccccc2o1 12764320 RGWPLXWYLSXYMV-GFCCVEGCSA-N 360.360 4.595 0 40 FJAB C[C@H]1CCN(C(=O)c2csc(-c3ccco3)n2)c2ccccc2S1 12944919 MZSSUUNXFQNGMR-LBPRGKRZSA-N 356.472 4.934 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1Cl 14136549 GRUREZQELRJEAN-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB c1csc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)c1 15355358 RGRKBBGPVBEITB-UHFFFAOYSA-N 358.473 4.609 0 40 FJAB CCC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1c(C)nc2c(C)cccn12 19716783 RLMJJUJNPBJJKH-IBGZPJMESA-N 365.477 4.573 0 40 FJAB Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(=O)O 20144991 ZOUWLGKKGMVWFV-UHFFFAOYSA-N 361.397 4.525 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 30864510 ZUDZEEMBHGDPTD-LAUBAEHRSA-N 369.505 4.929 0 40 FJAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cccc(Cl)c1 32105691 DCJLVVZEUYGFTB-UHFFFAOYSA-N 365.776 4.501 0 40 FJAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H]1CCSc2ccccc21 40068816 BHKITJDJXMUAHU-WMLDXEAASA-N 356.491 4.601 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2Cl)c1 40096599 FALSLIPFCJWOGM-SNVBAGLBSA-N 366.248 4.835 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 44900042 WYGCFNUDAHOIFI-KRWDZBQOSA-N 355.478 4.681 0 40 FJAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 49548655 FMWOZJQAPSDBMV-GFCCVEGCSA-N 361.323 4.823 0 40 FJAB CCSc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cn1 58004897 WJCWXOHRLYTVOV-UHFFFAOYSA-N 354.884 4.510 0 40 FJAB Fc1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 71890666 VAYVJLFUFCPKTH-UHFFFAOYSA-N 350.353 4.737 0 40 FJAB Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348945 XXQZYXVEXHIYBX-IBGZPJMESA-N 361.464 4.586 0 40 FJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 78459038 POYGBWKJCYHRCP-DLBZAZTESA-N 355.478 4.772 0 40 FJAB O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 96012499 TXIIEYNPWFOMKX-GOSISDBHSA-N 350.805 4.925 0 40 FJAB O=C1C[C@H](c2cc(Cl)ccc2Cl)c2c(-c3ccccc3)n[nH]c2N1 96319264 UCSOKYRGGXJILS-CYBMUJFWSA-N 358.228 4.858 0 40 FJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(C)C)C12CCCC2 96344067 METHPKSNFGHAIB-FQEVSTJZSA-N 370.537 4.501 0 40 FJAB CC1(C)[C@H](c2ccccc2)[N+]([O-])=C(c2ccccc2)C(c2ccccc2)=[N+]1[O-] 100314760 SYFPJEMOIBKXSD-QHCPKHFHSA-N 370.452 4.519 0 40 FJAB CCCCn1cc([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 100754735 SVFIGXVDOUGHLV-LJQANCHMSA-N 360.457 4.797 0 40 FJAB biogenic Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222928552 LVBOEIQMORQGAQ-QGZVFWFLSA-N 357.519 4.530 0 40 FJAB CCCC[C@H](CC)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225119132 MUUXQYBHOIOVHG-INIZCTEOSA-N 355.544 4.622 0 40 FJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cl)cc1F 225774878 PPMCIDJNFUQNSX-UHFFFAOYSA-N 374.843 4.794 0 40 FJAB CCCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1OCC 408614037 XLKQEGZOCBDUFO-UHFFFAOYSA-N 363.841 4.838 0 40 FJAB CCOC(=O)C1=C(C)N=C(SCC)N[C@H]1c1cccc(Cl)c1Cl 408990551 OBFVVGGSILFXAV-AWEZNQCLSA-N 373.305 4.584 0 40 FJAB Cc1cncc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c1 1596060476 LCQIOMKBPMWPBM-NHCUHLMSSA-N 350.506 4.801 0 40 FJAB C[C@@H](c1ccccc1)[C@@H](O)CN1CCC(c2ccnc3ccccc23)CC1 1645732886 OUHZAGFWWHYYQG-UUOWRZLLSA-N 360.501 4.579 0 40 FJAB FC(F)(F)c1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1 1033708 PXFUQCBKUDJYLN-UHFFFAOYSA-N 355.323 4.578 0 40 FJAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCCC3)C(=O)c1ccccc1 2195452 UNEKKUFDUKADPZ-OAHLLOKOSA-N 362.425 4.712 0 40 FJAB CCCn1nc(NC(=O)c2cccc(C)c2)c2cc3cccc(C)c3nc21 2344681 PFRNXXLLMUICIZ-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB Cc1noc(C)c1COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3318772 MILGFAGVNDHPGE-UHFFFAOYSA-N 370.455 4.987 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256076 ZIOLXBTYRUBLGL-LJQANCHMSA-N 369.827 4.918 0 40 FJAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)c1nnc(-c2ccccc2)o1 5313776 YAXPBABOYHUOIL-ZDUSSCGKSA-N 368.458 4.985 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1F)CO3 5516461 JQWUIFQOBYAVAL-UHFFFAOYSA-N 371.383 4.689 0 40 FJAB Cc1cc(C)cc(-c2nnc(SCc3nc(-c4cccs4)no3)o2)c1 7160348 RPJBQXJYMPCGQM-UHFFFAOYSA-N 370.459 4.757 0 40 FJAB Cc1c(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)ccc2nsnc12 8300014 WIMNHFHKYGNOEQ-UHFFFAOYSA-N 373.441 4.590 0 40 FJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)cc1 8392673 AJWOSAFKUHKLJT-LLVKDONJSA-N 374.849 4.762 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 8495327 CLOXDGLBAGIGEL-GOSISDBHSA-N 373.424 4.579 0 40 FJAB Cc1ccccc1CS[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 9367878 LDSWRYWOFOVQEW-AWEZNQCLSA-N 351.479 4.500 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCCC2)cc1 10313931 ALZCPQDTWJBQPA-UHFFFAOYSA-N 370.496 4.802 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)c3cccc4cccnc34)cc2)cs1 12621139 KWEMVJRPYQYLTQ-UHFFFAOYSA-N 373.481 4.639 0 40 FJAB O=C(Nc1ccc(F)cc1Cl)c1ccc(Cl)c(N2CCCC2=O)c1 12853753 RBPXCJJCPJMMON-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)cc1 13597977 FRDYKDRWYWZUAD-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3C)cc(-c3ccccc3)nc21 14061142 PVGIZUGKJNBRJY-UHFFFAOYSA-N 374.419 4.818 0 40 FJAB N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)C(=O)c1c[nH]c2ccccc12 14177101 WWLPOACZQZJEBD-XYSGSMRZSA-N 372.424 4.516 0 40 FJAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1 14654365 MOHDMQXEDWYHMZ-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB COc1cc(OC)c(NC(=O)c2cc3cc(F)ccc3s2)cc1Cl 15711490 BZVRBDIIVSVCCB-UHFFFAOYSA-N 365.813 4.963 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 20043388 OZKOXVSWWUPPOK-WMZHIEFXSA-N 359.469 4.977 0 40 FJAB Nc1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1Cl 20520887 PLGPFUGCDNLWOL-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576387 JKTMYVSYDYHWFX-UHFFFAOYSA-N 370.468 4.957 0 40 FJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(Cl)ccn1 22571398 JLYCWXYJCCXKGN-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc12 23108265 KBZSOCUUZRJYKA-INIZCTEOSA-N 358.507 4.615 0 40 FJAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccccc1F 31548382 KAEBPUJDKBJDIH-UHFFFAOYSA-N 361.214 4.559 0 40 FJAB C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(-n2cccc2)cc1 32609615 QFLULSHMJZNWMT-LBPRGKRZSA-N 360.791 4.900 0 40 FJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(C(F)(F)F)c1 32827904 YPYOLTKWJVVAHM-UHFFFAOYSA-N 363.364 4.806 0 40 FJAB O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccc(F)cc2)CC1 39768395 WLTRBFKRPKMMPB-UHFFFAOYSA-N 362.448 4.830 0 40 FJAB COc1ccc(-c2nnc(CN(Cc3ccccc3)[C@H](C)C3CC3)o2)cc1 40120225 ZDVZAHGOPDFEDQ-MRXNPFEDSA-N 363.461 4.546 0 40 FJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)C3CCCCC3)c12 40128097 DKOCDHINHKONKG-UHFFFAOYSA-N 368.525 4.777 0 40 FJAB O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(-c2ccccc2F)o1 40150938 NTIRUFABIIVCAI-UHFFFAOYSA-N 365.339 4.663 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)n[nH]2)cc1 44837811 NLLIQPHICOGZJP-UHFFFAOYSA-N 370.250 4.708 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 44885850 FJOBMIFPGDXOBD-XXBNENTESA-N 359.469 4.977 0 40 FJAB O=C(c1ccccc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 48285632 ZUFGYSDROGXAAD-UHFFFAOYSA-N 368.786 4.853 0 40 FJAB CC(C)c1noc(CCCC(=O)Nc2ccccc2SC(F)(F)F)n1 58163119 CWHNDAPOQNPMBN-UHFFFAOYSA-N 373.400 4.766 0 40 FJAB O=C(CN(CCc1ccccc1)C1CCCC1)Nc1ccccc1Cl 58299215 ZKRHVQNYGXHGHN-UHFFFAOYSA-N 356.897 4.766 0 40 FJAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/C=C/c1ccco1 58381727 SHNZSLZJXDUGRC-SJBOZLQKSA-N 358.319 4.509 0 40 FJAB CCOc1ccc([C@H]2CCCN2C(=O)c2cnc(-c3ccccc3)nc2)cc1 58428327 TVRGOTQQTGYTOG-OAQYLSRUSA-N 373.456 4.520 0 40 FJAB COc1ccc2nc(SC(=O)Nc3cccc(Cl)c3)nc(C)c2c1 59431818 OPXPZCHDNPLWPL-UHFFFAOYSA-N 359.838 4.924 0 40 FJAB Cc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(Cl)c2c1 72329825 UMDZDJWKXRZILX-UHFFFAOYSA-N 352.242 4.683 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 72380247 ARUPLTXHPCVYLS-SFHVURJKSA-N 369.827 4.847 0 40 FJAB C[C@H]1CN(c2ccccc2NC(=O)Cc2ccc3ccccc3c2)C[C@H](C)O1 89936865 DURCIYHQSDTEJO-ROUUACIJSA-N 374.484 4.635 0 40 FJAB CCN(C(=O)c1ccc(C)o1)[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 95467830 OUIUMWPAUHRJCR-AWEZNQCLSA-N 356.853 4.742 0 40 FJAB Cc1ccccc1[C@H]1CC2=Nc3ncnn3[C@H](c3ccccc3)C2=C(O)C1 102676615 DOHOEAWCTMJOFP-HRAATJIYSA-N 356.429 4.652 0 40 FJAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccccc2)cc1 127137320 SOVJXGUUVRDUNO-HNAYVOBHSA-N 366.417 4.706 0 40 FJAB CCn1ccc2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)cc21 153237236 PJELZVLBWLACPK-UHFFFAOYSA-N 358.445 4.716 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C 177284200 LUWZPMGGBRXRJE-LAUBAEHRSA-N 374.488 4.899 0 40 FJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 214112013 AQJGPRQGBNVMPX-GZTJUZNOSA-N 373.861 4.975 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292165 PNDQNHMHBRIURA-KDOFPFPSSA-N 373.880 4.834 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC(C)C)c1 219654717 ITOPZDKXNIMLHP-UHFFFAOYSA-N 357.475 4.925 0 40 FJAB Cc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1C 224942934 YTTRINFHPPJPMN-IBGZPJMESA-N 361.485 4.830 0 40 FJAB COC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCCC1 225630299 LQXLMJNPSMQIOT-UHFFFAOYSA-N 353.462 4.944 0 40 FJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225705692 FLLJGLLWHSXVAA-LJQANCHMSA-N 371.905 4.679 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C)n1 225861075 MBZQGUZGEDHZPO-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cn1 225863825 BRSBENMSTIIUHS-UHFFFAOYSA-N 365.260 4.848 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(F)cc4)no3)no2)cc1 1775976227 PMGBLMMSAZMMPC-UHFFFAOYSA-N 363.348 4.696 0 40 FJAB Cc1ccc(N2C(=O)C[C@@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1 1240226 YSOVMRJJZZESGB-XMMPIXPASA-N 367.448 4.635 0 40 FJAB Brc1cc(Br)c2nc(-c3nccs3)ccc2c1 1384479 HQFPFYFPBFFPPX-UHFFFAOYSA-N 370.069 4.883 0 40 FJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1C(F)(F)F 1516189 ZHFVIYOWNSCDCF-ZROIWOOFSA-N 351.711 4.703 0 40 FJAB Cc1ccc(Sc2ncc(C(=O)OCC3CC3)c(C(F)(F)F)n2)cc1 2142867 CSURSZVQRHZJAS-UHFFFAOYSA-N 368.380 4.522 0 40 FJAB COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 2209300 HUNZCAXGDXPWFT-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 2335541 SFDXIFGPDBINRK-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB COc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1OC 2458858 ZJJDJLGQQSIOGL-UHFFFAOYSA-N 367.371 4.534 0 40 FJAB CC(=O)OC1=CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C 2508251 KPJNGUPMJAHAND-JBPLPALLSA-N 354.446 4.525 0 40 FJAB in-vitro O=[P@]1(N2CCOCC2)C=C(c2ccccc2)c2cc(Cl)ccc2O1 3180894 CQNMFUIQWLDRSB-XMMPIXPASA-N 361.765 4.647 0 40 FJAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCCC1 3206349 WGTOLGDFKAMFSC-DYVFJYSZSA-N 363.914 4.749 0 40 FJAB CC[C@H](C)Sc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079426 DEAVYRXCNSSHPG-QMMMGPOBSA-N 361.414 4.700 0 40 FJAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccccc2)cc1 5451182 JDJRFZHIPMFAKU-DEOSSOPVSA-N 370.452 4.574 0 40 FJAB Cc1ccsc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6588035 KJLKNFQBSJICTI-UHFFFAOYSA-N 373.865 4.565 0 40 FJAB Cc1ccccc1-c1noc(COc2ccc(C(=O)c3ccccc3)cc2)n1 7263818 GTAVDPSGXFCFBO-UHFFFAOYSA-N 370.408 4.855 0 40 FJAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 7929419 HKMDCXLVKHCJRR-CQSZACIVSA-N 371.864 4.596 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cn1 8018942 UIVBNXCESBFQLJ-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB CCCc1cc(Nc2ccc(OC)cc2)n2nc3nc(C)cc(C)c3c2n1 8843998 QTQQXBOISHSPTL-UHFFFAOYSA-N 361.449 4.599 0 40 FJAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)sc2cccc(F)c12 9217463 GZEJITDTCFMBIS-OAHLLOKOSA-N 372.465 4.509 0 40 FJAB COCCNc1oc2c(c1-c1ccccc1F)c(=O)oc1c(C)cccc12 11614796 OJNVPUAWDMFXJS-UHFFFAOYSA-N 367.376 4.712 0 40 FJAB c1coc(CN(Cc2nc(-c3ccsc3)no2)Cc2cccs2)c1 12911298 PSFUSTZARLEJJO-UHFFFAOYSA-N 357.460 4.655 0 40 FJAB CCCc1nc2ccccc2c(C(=O)Oc2ccc3c(c2)OCO3)c1CC 13135219 QYEDYABHOXSZGJ-UHFFFAOYSA-N 363.413 4.698 0 40 FJAB Cc1ccc(Cl)c(OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 14666459 GKINCMGJGPHLJY-UHFFFAOYSA-N 368.742 4.623 0 40 FJAB Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc(-c2cc3ccccc3o2)n1 17017167 LKFDHPRFJLXCDG-UHFFFAOYSA-N 372.215 4.917 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccc(CN2CCCCC2)cc1 17076656 FJRZKAVEIMTAML-UHFFFAOYSA-N 374.484 4.843 0 40 FJAB CCCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCCC1 20868995 DKPKFGPHXCEIGR-FQEVSTJZSA-N 372.553 4.736 0 40 FJAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)c1ccc(Cl)cc1 23273865 PCHJIIZXVIRJCC-GFCCVEGCSA-N 358.850 4.677 0 40 FJAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(-c2ccccc2)cc1 28303710 ZXYCSYGDWKTCMF-UHFFFAOYSA-N 371.415 4.990 0 40 FJAB COc1ccc(NC(=O)c2ccc(SCc3cccnc3)cc2)cc1 32480326 KSXSPNHRFYSPQG-UHFFFAOYSA-N 350.443 4.635 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 38834997 HNALCLVCBOHNMI-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB Cc1ccc2c(CC(=O)Nc3cccc(-c4nccn4C)c3)coc2c1C 40146446 LVTKCMHQYLGRFS-UHFFFAOYSA-N 359.429 4.631 0 40 FJAB CC(=O)Nc1cccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 43654309 CLOUCWWCFLMVAR-GOSISDBHSA-N 357.479 4.760 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Oc2ncccn2)cc1 48202477 FSFWETMOPVUVBV-UHFFFAOYSA-N 374.227 4.757 0 40 FJAB CCOc1ccc2cc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)[nH]c2c1 48287830 HKNVINUYCVTDNG-GUYCJALGSA-N 352.434 4.555 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)N[C@H](c1ccccn1)C1CCCC1 72303692 KPFVAOZMBMFVBD-IBGZPJMESA-N 363.288 4.979 0 40 FJAB Cc1oc(-c2ccco2)nc1CC(=O)N1c2ccccc2S[C@H](C)[C@@H]1C 75106175 XEKZKEZMZSYPMV-GXTWGEPZSA-N 368.458 4.701 0 40 FJAB CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(C(F)(F)F)cc2)CC1 95630645 PCIXABQPJKOBKV-UHFFFAOYSA-N 357.372 4.535 0 40 FJAB c1ccc(C23C4[C@H]5N=N[C@@H]4[C@H]4[C@@H]5[C@@]2(c2ccccc2)[C@@]43c2ccccc2)cc1 104288511 CFTZWOUSJQYYFS-AKHWACFMSA-N 360.460 4.906 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c1 107851903 AUKVKAZCCFAZCZ-UHFFFAOYSA-N 358.869 4.980 0 40 FJAB O=C(O)Cc1sc(Nc2ccccc2Cl)nc1-c1ccc(F)cc1 141702009 SOUNJOYOJDQVSC-UHFFFAOYSA-N 362.813 4.973 0 40 FJAB C[C@H](CC(=O)Nc1cccc(Cl)c1Cl)CC(=O)NC1CCCCC1 199426404 GUFOJMYXDZLPLG-LBPRGKRZSA-N 371.308 4.797 0 40 FJAB CC(C)Oc1cc(C(=O)NCCCc2ccc(F)cc2)cc2occc12 223283315 YXVCJLHDOAVFDQ-UHFFFAOYSA-N 355.409 4.722 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c1 223748287 JCHCODTZZQQTLQ-UHFFFAOYSA-N 367.470 4.574 0 40 FJAB COc1ccc(C(=O)NCCC(C)C)cc1COc1cc(C)cc(C)c1C 224282329 BPCPUUGFUUGZOA-UHFFFAOYSA-N 369.505 4.975 0 40 FJAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC 224697240 PVXGWYCDUHKNFZ-UHFFFAOYSA-N 363.841 4.536 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224906132 IUYTVPOXJIIVNX-AWEZNQCLSA-N 350.418 4.546 0 40 FJAB CCc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1 225564659 PQBBMQGRAKTWMN-UHFFFAOYSA-N 356.535 4.955 0 40 FJAB CC(C)c1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225738796 INAFZPGNMSQCAH-KRWDZBQOSA-N 367.562 4.938 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2ccc(Cl)cc2)cc1 225802417 HGAHUTCRXCUOTE-UHFFFAOYSA-N 366.939 4.817 0 40 FJAB Brc1cc(-c2ccccc2)cc2nc(C3CCNCC3)oc12 226250325 QDIQKAHJXMIMRF-UHFFFAOYSA-N 357.251 4.724 0 40 FJAB Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1csc2ccccc12 506563908 STBUTTDRMXCBPW-UHFFFAOYSA-N 372.515 4.611 0 40 FJAB O=C(Cc1cnccc1C(F)(F)F)N1CCC[C@H]1c1cccc(Cl)c1 582071070 GWNSFNZYAIKGKN-INIZCTEOSA-N 368.786 4.660 0 40 FJAB CC(=O)N1CC[C@@H](Nc2cnn(-c3cc(C)ccc3C)c2C)c2ccccc21 621758659 GNWGFFGKOMFNPB-HXUWFJFHSA-N 374.488 4.707 0 40 FJAB CCSc1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 682915 ACZQZTAWJNAMRV-UHFFFAOYSA-N 357.460 4.695 0 40 FJAB Cc1ccc(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)cc1C 991054 RYXQYWJIGVPXRT-UHFFFAOYSA-N 353.805 4.545 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl 1425830 FFEYJNCMSFFGAG-UHFFFAOYSA-N 350.802 4.740 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2351517 SRQSCSZJKDFDKA-UHFFFAOYSA-N 355.825 4.585 0 40 FJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3ccccc3)sc21 2428084 FPFOEIGNRQYFCV-UHFFFAOYSA-N 361.470 4.634 0 40 FJAB COc1cccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 2448775 PGVLTAHWOFMBGA-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB COc1cc(OC)c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1Cl 3353859 DLDOUWZQVQBTLO-UHFFFAOYSA-N 358.825 4.708 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3cccnc3n2)c1 4033217 IXGRIKLNFNMAKR-UHFFFAOYSA-N 363.808 4.694 0 40 FJAB Cc1cccnc1N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@H](C)S1 4047807 KLLPLOQRRONBNA-LBPRGKRZSA-N 360.870 4.573 0 40 FJAB Cc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1 4305003 BDQUJIGYJJAFAT-HXUWFJFHSA-N 361.445 4.514 0 40 FJAB Cc1cc(NC(=O)Cc2cccc3ccccc23)ccc1N1CCCCC1=O 5441390 GDDLUUZCGRQFGJ-UHFFFAOYSA-N 372.468 4.846 0 40 FJAB O=C(CSc1nc(-c2ccccc2)cs1)NCCC1=CCCCC1 5971730 JYWLMOMODXLGKU-UHFFFAOYSA-N 358.532 4.909 0 40 FJAB CCOc1ccc2oc(C(=O)Nc3ccc(N4CCCC4)cc3)c(C)c2c1 6582598 RDPPTKDYLUOLCF-UHFFFAOYSA-N 364.445 4.992 0 40 FJAB Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 6653000 RZKFDOJHXOCHDN-MRXNPFEDSA-N 350.491 4.537 0 40 FJAB CCN1CCC(Nc2ncnc3sc(-c4ccccc4)c(C)c23)CC1 7467480 ZWVCVZADRWXBTC-UHFFFAOYSA-N 352.507 4.563 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1cccc(C)c1 8041381 KKANVOQJTYFGEC-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1Cl 8041415 XHKXLYBXTZTJIB-CQSZACIVSA-N 354.233 4.798 0 40 FJAB CCOc1ccc(Br)cc1CNC1C2CC3CC(C2)CC1C3 8324488 QMUGWXFNDKOCOA-UHFFFAOYSA-N 364.327 4.762 0 40 FJAB CCCCOc1ccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 12112965 RTNJAAUMTSJXQQ-KRWDZBQOSA-N 374.437 4.643 0 40 FJAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)C1(c2ccccc2)CC1 12601083 ZFHAIESTDCNBDP-UHFFFAOYSA-N 363.438 4.784 0 40 FJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Cl)ccc1Cl 12904319 PWZXAVIPFAMGQX-UHFFFAOYSA-N 374.271 4.510 0 40 FJAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c(C)c1 12998554 DLXLPTLTYSJVTM-UHFFFAOYSA-N 350.487 4.933 0 40 FJAB FC(F)(F)c1cccc(CN(Cc2ccncc2)Cc2cccnc2)c1 13989640 AVOPNFJWVNZIIP-UHFFFAOYSA-N 357.379 4.698 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14400392 SBSDNPJOPBNDBZ-HNNXBMFYSA-N 369.461 4.567 0 40 FJAB CCCOc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20141718 XMEHLSBZLIRSDS-UHFFFAOYSA-N 368.216 4.733 0 40 FJAB S=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1 20437020 QUQPLIXKLNSRSL-UHFFFAOYSA-N 354.563 4.743 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)CCCC(C)C 21203473 FXSXBWPEUUDQSF-HNNXBMFYSA-N 358.482 4.815 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1Cl 21787139 WQNVLRIKRPZPQG-IBGZPJMESA-N 367.880 4.812 0 40 FJAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccccc1SC(F)F 23227485 DQCFJUNQQWABMW-UHFFFAOYSA-N 355.381 4.937 0 40 FJAB C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccc(F)c1 24760224 KBEDYMVLLXUNEO-SNVBAGLBSA-N 361.214 4.561 0 40 FJAB FC(F)(F)c1cccc(N2CCN(Cc3cccc4cccnc34)CC2)c1 25806704 KVGAIKHSFGMHDV-UHFFFAOYSA-N 371.406 4.576 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1F 27764373 FQDXMVMPBTUWDH-UHFFFAOYSA-N 370.449 4.653 0 40 FJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC 30756745 GXTQCQCQTTUEFT-QFIPXVFZSA-N 361.441 4.532 0 40 FJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1cccnc1 32889677 MLHNJXDALGHMAS-MRXNPFEDSA-N 374.444 4.559 0 40 FJAB Cc1ccc(-c2csc3c(=O)n(Cc4ccc(F)cc4)cnc23)cc1 38486730 BTCNMUGJBUZKOZ-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 41019111 LXEFTKURFDPOOX-UHFFFAOYSA-N 354.837 4.586 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(Cl)cc1 44904655 YWWXVWSJMNNFET-OAHLLOKOSA-N 353.849 4.919 0 40 FJAB CN(Cc1cccc2ccccc12)C(=O)c1c[nH]c(=S)n1-c1ccccc1 45187553 NBQHIPXKOKWOSW-UHFFFAOYSA-N 373.481 4.960 0 40 FJAB C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)N1CCc2ccccc21 71804941 VPJMZAQWVXMOEN-CQSZACIVSA-N 363.461 4.515 0 40 FJAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(F)cc1 72229865 FMTKDRWURFSFEW-IBGZPJMESA-N 355.796 4.813 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358003 NBGRMNJZGHYJKI-OAQYLSRUSA-N 352.453 4.665 0 40 FJAB CC(C)c1ccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 72389984 FZNMSZASNLAMLN-HXUWFJFHSA-N 362.477 4.635 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1c(C(F)(F)F)n[nH]c1C(F)(F)F 78964404 MJLNKMOGKVLXMJ-UHFFFAOYSA-N 371.668 4.661 0 40 FJAB COc1ccc2cc(C(=O)c3c(F)c(F)c(F)c(F)c3F)ccc2c1 95917084 IELXWDOFRZCPNT-UHFFFAOYSA-N 352.258 4.775 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccc1Cl 96231678 NVKDMONWQATGGY-GOSISDBHSA-N 354.837 4.637 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222665637 SZUJNPDSUNXJBO-QGZVFWFLSA-N 374.484 4.939 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(Cl)cc1 223641319 JRECWSPWEPNGSD-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB Fc1ccc(C2(CNC(=S)Nc3ccc(Cl)cn3)CCCC2)cc1 223980686 ASUGRLGLLKLDHS-UHFFFAOYSA-N 363.889 4.673 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1 224087946 DVWMISUFVPJLNG-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COCC(C)C 224738321 ZREJBLWMRDXFHT-UHFFFAOYSA-N 357.450 4.519 0 40 FJAB CC(C)CSc1nnc(NC(=S)Nc2ccc(Cl)cc2)s1 225466900 VJQWOEOYBFNMBA-UHFFFAOYSA-N 358.945 4.749 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)c1C 225484692 CCVLODGCHBOKIX-SFHVURJKSA-N 370.518 4.918 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 225654481 VUDASFLEOJOCTF-FQEVSTJZSA-N 367.489 4.881 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccccc2C)c1C 225754114 CKCQETQYFSNMBW-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB CC(C)Oc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225867221 PYMOXSJKBDAGRQ-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB CCN(C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 257345115 JWPJWGDDEDOKCM-JWUVWSEFSA-N 351.575 4.623 0 40 FJAB COc1c(F)c(F)c(C(=O)Nc2cc(Cl)ccc2Cl)c(F)c1F 408624045 WVPBBOICMDLWLH-UHFFFAOYSA-N 368.113 4.811 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccc(Br)cc3C)cc2c1 409190823 WPFDYXPPZIHPEV-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1csc(-c2cccc(F)c2)n1 605366267 UGCFLIUASBHXNT-LBTNJELSSA-N 358.482 4.671 0 40 FJAB Cc1ccccc1C(C)(C)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 1294673760 FDMFNDIKMNJBJP-UHFFFAOYSA-N 365.517 4.850 0 40 FJAB COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cc1 669697 WTDXZMRWHKLIAY-INIZCTEOSA-N 360.457 4.925 0 40 FJAB Oc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCC1 904219 FLSDYSNVSHIZGO-UHFFFAOYSA-N 372.266 4.824 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(I)cc1 946582 PWAQFLXSNSILKV-UHFFFAOYSA-N 372.593 4.589 0 40 FJAB CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCCC2 985778 HNMKBUDNEJQCHB-UHFFFAOYSA-N 374.531 4.921 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 1509417 RRZPWNPILYOPRJ-UHFFFAOYSA-N 357.409 4.681 0 40 FJAB C[C@]1(C(=O)c2ccccc2)N(c2ccccc2)[C@]1(C)C(=O)c1ccccc1 1615980 HDRBXGSPQHHEPE-DNQXCXABSA-N 355.437 4.790 0 40 FJAB Cc1cc2oc(=O)c(CC(=O)O)c(C)c2c2occ(-c3ccc(F)cc3)c12 2125242 ZGLWQWRCKSOMKU-UHFFFAOYSA-N 366.344 4.589 0 40 FJAB aggregator,biogenic O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NC1CCCC1)c1ccccc1 3344841 ITGKIXSJWAOOJF-SFHVURJKSA-N 362.395 4.917 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)c(C)c1 3433795 COSYSWPLQAIOOI-HNNXBMFYSA-N 357.475 4.502 0 40 FJAB S=C(NC1Cc2ccccc2C1)N(Cc1ccccc1)Cc1ccccc1 4079497 FGBJXZMBWKQCHV-UHFFFAOYSA-N 372.537 4.731 0 40 FJAB Cc1cc(NC(=O)CCC2CCCC2)c(=O)n(Cc2ccc(Cl)cc2)c1 5000891 ZXTMZEQHPRYPHX-UHFFFAOYSA-N 372.896 4.767 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccc(Cl)c1Cl 5177710 OOQREDLKBXODAF-CFGKVWFZSA-N 373.283 4.631 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1nc2ccc(F)cc2s1 5771199 WQHOPCFXHMNIER-UHFFFAOYSA-N 352.390 4.606 0 40 FJAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 6152499 RPDXZWRADRJSNW-PKNBQFBNSA-N 361.388 4.819 0 40 FJAB C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(F)cc1 6287989 VDYORZPXSVOSIR-QGZVFWFLSA-N 363.432 4.673 0 40 FJAB COc1ccc(CNCc2cccc(OCc3ccc(F)cc3)c2)cc1 7538406 DWGIFGOUAPDLIP-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB O=C(Nc1cccs1)Nc1nnc(SCc2cccc(F)c2)s1 7573062 OOPJVBODIDFYFW-UHFFFAOYSA-N 366.468 4.675 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580636 PEPUNLQECSIDFM-UHFFFAOYSA-N 374.893 4.944 0 40 FJAB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)O 8277766 LLKBTEWDARSNHI-DNTJNYDQSA-N 368.216 4.524 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1NC(=O)c1ccco1 8340681 ITCWRNUEDISKIY-LPHOPBHVSA-N 366.461 4.635 0 40 FJAB CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 8654022 PAAPYGKQZOHGNG-WMZOPIPTSA-N 361.489 4.911 0 40 FJAB COCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 9684671 PWRWFRWILKKCLE-UHFFFAOYSA-N 357.413 4.629 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21 12984831 KHLVLMGYUBTFFB-HNNXBMFYSA-N 368.502 4.668 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCC1CCCCCC1 13675697 BEADUAWYPVRMAW-UHFFFAOYSA-N 364.338 4.773 0 40 FJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)nc3)n2)cc1 14657274 LSUFUNPWFVZOBS-UHFFFAOYSA-N 373.865 4.900 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2cc(C)ccc2C)c2ccccc2)cc1 20106741 QORJLRCEUOELTO-DEOSSOPVSA-N 359.469 4.896 0 40 FJAB CCCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21170831 BLRLMIHADJKURY-OAQYLSRUSA-N 372.553 4.736 0 40 FJAB Nc1ccc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c2ccccc12 24927162 ALRHJBVOGGFRSQ-SFHVURJKSA-N 374.387 4.830 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)n1 28219984 KFJSOJHFCFOITA-UHFFFAOYSA-N 364.207 4.879 0 40 FJAB CCN(Cc1cccs1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 32722432 OGZNICNIOMBRNG-UHFFFAOYSA-N 353.443 4.873 0 40 FJAB O=C(Nc1ccc(F)cc1F)c1cc(C2CC2)nc2onc(C3CC3)c12 36617339 FVBMCRRIQAEUEQ-UHFFFAOYSA-N 355.344 4.508 0 40 FJAB O=C(Nc1c(F)cccc1F)N(Cc1ccsc1)Cc1ccccn1 44446204 NOFFIYBSTNNLFB-UHFFFAOYSA-N 359.401 4.656 0 40 FJAB CCCCOc1ccc2oc(C)c(C(=O)NCCc3cccs3)c2c1 46086029 JQTJQWUVFNPXLG-UHFFFAOYSA-N 357.475 4.954 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1csc(-c2ncccn2)n1 48302934 RQGXZWVBHZPCJK-ZDUSSCGKSA-N 350.447 4.539 0 40 FJAB CN(Cc1nc(C(C)(C)C)no1)[C@H](c1ccccc1)c1ccc(F)cc1 48366598 NTEJMMLNKGUUIV-LJQANCHMSA-N 353.441 4.728 0 40 FJAB O=C1S/C(=C\C(Cl)=C\c2ccccc2)C(=O)N1c1cccc(O)c1 54104476 AQMYDRAWMURHGR-ZTJWTMSASA-N 357.818 4.756 0 40 FJAB CCOc1ccc([C@H]2CC(c3ccc(CC)cc3)=NN2C(=O)CC)cc1 58324573 IHOZESXAXRVUQY-OAQYLSRUSA-N 350.462 4.735 0 40 FJAB Cc1ccc(OCCCn2cc(C=O)c3cc(Br)ccc32)cc1 59109402 UXEYTSSSWNCZOU-UHFFFAOYSA-N 372.262 4.994 0 40 FJAB COc1ccc(N(C(=O)c2cnc(C(C)(C)C)s2)[C@@H](C)C2CC2)cc1 60306590 MWPCZDDZGVMCBZ-ZDUSSCGKSA-N 358.507 4.895 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 63889203 FQNORMBHTISIQT-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB CCN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1C 65483382 NRDJHCKFFAKDJO-UHFFFAOYSA-N 362.433 4.631 0 40 FJAB Cc1nc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C)C2CC2)cs1 69355139 AILAOUMGKMRRHX-SNVBAGLBSA-N 354.397 4.916 0 40 FJAB COc1cccc(-c2nc(Cl)c3oc(-c4ccccc4C)nc3n2)c1 71195078 RPZQITMFSRWBNE-UHFFFAOYSA-N 351.793 4.922 0 40 FJAB 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Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222904460 WREWNJHQLVYYRM-KRWDZBQOSA-N 353.531 4.984 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 225581131 RBAMYLOSANBLNK-MRXNPFEDSA-N 373.488 4.646 0 40 FJAB Cc1ccc(CCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 225678425 ODOXPDDNDFCPNI-UHFFFAOYSA-N 353.506 4.772 0 40 FJAB CCOC(=O)c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc12 226360098 PREXTTAICCMOPL-UHFFFAOYSA-N 374.209 4.980 0 40 FJAB Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)N(C)C1CCC(F)(F)CC1 585083345 TXTOHUCTFMYSPQ-UHFFFAOYSA-N 367.827 4.688 0 40 FJAB c1ccc(C[C@H](N[C@@H]2CCCn3ccnc32)c2nc3ccccc3s2)cc1 655774525 VOXFIQSLJALOMH-MOPGFXCFSA-N 374.513 4.901 0 40 FJAB O=C(NCC1(c2ccsc2)CCOCC1)c1cc(Cl)cc(Cl)c1 952990243 WIYGBYKEVVJPFN-UHFFFAOYSA-N 370.301 4.533 0 40 FJAB Cc1ccc(-c2oc3cc(C)ccc3c(=O)c2OCCOC(C)C)cc1 1907682 UKQASQVOVRHHFL-UHFFFAOYSA-N 352.430 4.881 0 40 FJAB CCOC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2707040 DPSNCVXUBMQVHE-VIFPVBQESA-N 363.093 4.875 0 40 FJAB CC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1 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FJAB CCOc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 8586639 WZGAFWLWGHVTOK-UHFFFAOYSA-N 366.486 4.715 0 40 FJAB COc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 8991265 BPOAFYBOBQCTAO-JOCHJYFZSA-N 358.441 4.770 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F 10514325 JGCDERCIEZEWGG-UHFFFAOYSA-N 355.790 4.530 0 40 FJAB FC(F)(F)c1cnc(NCc2cn3cc(Cl)ccc3n2)c(Cl)c1 12556845 NSCIEAWPYSOEIS-UHFFFAOYSA-N 361.154 4.667 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](c1ccccc1)c1ccccn1 12606497 ATGZBHNTDXXTQQ-HXUWFJFHSA-N 370.374 4.549 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC 12890430 UDATUQVIFXXSOJ-UHFFFAOYSA-N 371.767 4.601 0 40 FJAB Cc1csc(-c2nc(NCc3ccncc3)ncc2-c2ccsc2)n1 13227963 HKGTYGKNHZCVNR-UHFFFAOYSA-N 365.487 4.644 0 40 FJAB S=C(Nc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 13823312 OJWVSILFRIKALH-MRXNPFEDSA-N 361.308 4.813 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)c2oc3ccc(Br)cc3c2C)c1C 14241916 GBQLFAYQPGDDIL-UHFFFAOYSA-N 374.234 4.882 0 40 FJAB COc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCC3)cc1 17246345 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350.447 4.853 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1Cl)CC(C)(C)O2 220018974 IBMVTLAWVCDKEN-GOSISDBHSA-N 357.881 5.000 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c3c(cccc13)CC2 224292681 ICJCDEFHWCRLCH-ZDUSSCGKSA-N 351.833 4.998 0 40 FJAB O=C(CCc1ccc(F)cc1)NCCSCc1c(F)cccc1Cl 224386628 CDTDRUNZTPXNLQ-UHFFFAOYSA-N 369.864 4.600 0 40 FJAB CCOc1ccccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225104632 QUDJNYUXGGXZPG-QFIPXVFZSA-N 362.425 4.827 0 40 FJAB CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 225543413 BSZAWILIGXUEFS-UHFFFAOYSA-N 361.470 4.552 0 40 FJAB Cc1ccc([C@@H](NC(=S)Nc2ccc3c(c2)OCO3)C(C)C)c(C)c1 225764145 FVWUBWDBHCCREC-IBGZPJMESA-N 356.491 4.716 0 40 FJAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccc(C)c1 408561946 LXEMFSQBILMOKA-XDOYNYLZSA-N 354.450 4.734 0 40 FJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(F)cc1 409205106 LVHRLSMABPXDEK-UHFFFAOYSA-N 373.493 4.965 0 40 FJAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)co1 548049069 GXACWIZRHLDPAM-QGZVFWFLSA-N 369.396 4.535 0 40 FJAB CC1(C)C[C@@H]2CN(C(=O)CC3CCCC3)CC[C@@H]2N1c1ccc(F)cc1 1615154718 GOZQQGVJTBKOQQ-XLIONFOSSA-N 358.501 4.612 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c2ccccc12 1776003973 HNKMHZLLDPCJFQ-UHFFFAOYSA-N 355.459 4.656 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 721125 JXOIGOHRCJORQV-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)o2)cc1C 892222 PCKBLDIOSKMDPJ-OAHLLOKOSA-N 367.474 4.781 0 40 FJAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 1047269 ZRQFYQMMCYFIFD-UHFFFAOYSA-N 365.502 4.755 0 40 FJAB CCc1nc(N2CCCCC2)c2sc(=S)n(-c3ccccc3)c2n1 1078570 XLAQHKOLYKVDRD-UHFFFAOYSA-N 356.520 4.764 0 40 FJAB Cc1ccc2nc3sc(C(=O)N4CCc5ccccc54)c(N)c3cc2c1 1342729 KSKAWCOELLTEIC-UHFFFAOYSA-N 359.454 4.543 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 4883344 DNZRJKXKGAXZLF-AYHJJNSGSA-N 373.884 4.640 0 40 FJAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2O)cc1 5033577 JTNKAQVOHKJMPA-CCEZHUSRSA-N 354.409 4.570 0 40 FJAB Cc1ccc(-c2ccc3nnc(SCc4ccc(F)cc4)n3n2)cc1 7509965 YXLMCMHDXQWFCE-UHFFFAOYSA-N 350.422 4.531 0 40 FJAB CC[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Br)cc1 7689230 NIOKPZVXIYECET-HNNXBMFYSA-N 354.194 4.608 0 40 FJAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1C 8185825 QGQUPILHISOYFI-AWEZNQCLSA-N 355.507 4.779 0 40 FJAB COC(=O)Nc1nc(-c2ccccc2)c(-c2ncc(C)c(OC)c2C)s1 8715587 QREZRMDDIDJXPN-UHFFFAOYSA-N 369.446 4.676 0 40 FJAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062898 OFCYAZFUJIZGQK-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB Clc1ccc(-c2cnc(COc3ccc(-c4nnco4)cc3)o2)cc1 9762234 IIJMILXEZKPDPC-UHFFFAOYSA-N 353.765 4.624 0 40 FJAB COc1cccc([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1 9902994 CSXXUDVMQWWLHR-GOSISDBHSA-N 369.852 4.736 0 40 FJAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 10156575 SPLXDDTYGFFMTO-INIZCTEOSA-N 361.420 4.889 0 40 FJAB O=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccccc1Cl 11692812 DROKJOSRYNZYMR-VMPITWQZSA-N 365.610 4.534 0 40 FJAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2C)cc1 11917180 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C[C@@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 22162482 HOMJFLISTQZYMR-CYBMUJFWSA-N 372.490 4.919 0 40 FJAB Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)cn1 24842111 HTEBECRRXWTODU-UHFFFAOYSA-N 357.866 4.651 0 40 FJAB Clc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222600 RLLYQTPCEJTSPT-FQEVSTJZSA-N 351.881 4.752 0 40 FJAB Cc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)o1 28245250 GJCBCVXDZKINLW-UHFFFAOYSA-N 373.412 4.809 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)O)CC[C@@H]32)C1 34634988 RDRFJIOUMNDZPW-RRPVOMPVSA-N 362.554 4.958 0 40 FJAB COc1ccccc1C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 36639553 CYVVQZGHISCBNS-UHFFFAOYSA-N 372.877 4.957 0 40 FJAB O=C(NCCc1cccs1)c1ccc(-c2nc3ccccc3s2)o1 36741654 WFXKMTWOGJNSHQ-UHFFFAOYSA-N 354.456 4.590 0 40 FJAB Cc1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39750457 OVBQTILAADISEI-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)N1CCCC1 40070079 SFCLJUKFIUDQBI-UHFFFAOYSA-N 356.376 4.726 0 40 FJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 40156780 WFZBHYNCAWVEKC-INIZCTEOSA-N 350.437 4.973 0 40 FJAB CCc1nc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)cs1 58180407 RWALDYZYMGSDCR-KRWDZBQOSA-N 370.865 4.525 0 40 FJAB COc1cccc(-c2cncc(C3CCN(Cc4ccccc4)CC3)n2)c1 72359265 IYKYTURPMAKUOS-UHFFFAOYSA-N 359.473 4.532 0 40 FJAB C[C@@H](Cc1cccs1)NC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 74852456 FRTLAOPKNTVHLO-HOTGVXAUSA-N 365.502 4.802 0 40 FJAB Cc1nnc([C@@H](C)NC(=O)c2ccccc2Nc2cccc(C)c2C)s1 95940096 JVIMMRHJNNQEOH-CQSZACIVSA-N 366.490 4.698 0 40 FJAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)C1CCC1 96124441 LPCSTYFACUGEHA-UHFFFAOYSA-N 350.447 4.687 0 40 FJAB C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108914434 PGISDGAAJMGOBF-CNTRQJEFSA-N 367.464 4.959 0 40 FJAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCCCC2)cc1 222855768 QLJIAGZEMSMNJF-UHFFFAOYSA-N 358.485 4.756 0 40 FJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)cc4Cl)cn1c23 223094715 BWNIVYMRYJDISS-JTQLQIEISA-N 373.239 4.678 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(N2CCCCC2)cc1 223775321 MGWRNFJHTDKUTH-UHFFFAOYSA-N 366.505 4.609 0 40 FJAB CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)cc1C 225506134 FAIXNRLBJIGOLL-NRFANRHFSA-N 351.490 4.829 0 40 FJAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)c(C)n1 225911174 LSQUSCQMTOMRHN-KKSFZXQISA-N 362.514 4.883 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 227145366 VOTUWZIXMGRPIP-UHFFFAOYSA-N 373.667 4.863 0 40 FJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccc(F)cc1 408713182 NGDXPXMBXBQBND-UHFFFAOYSA-N 368.433 4.529 0 40 FJAB COc1ccc(Nc2nc3c(s2)CCc2cc(OC)c(C)cc2-3)cc1 408892745 CRALIGSNHVLRIO-UHFFFAOYSA-N 352.459 4.978 0 40 FJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1 408994982 KDTVVQWASUHFLV-FKBYEOEOSA-N 371.436 4.864 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)o1 677061265 OOCUVIHPKJUVMO-INIZCTEOSA-N 371.481 4.504 0 40 FJAB CCC1(CC)CN(C(=O)NCc2cc(O)ccc2Cl)c2ccccc21 1684982267 HTPKPPNTYZYJQJ-UHFFFAOYSA-N 358.869 4.833 0 40 FJAB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 682209 GRLBRRZJTSCBFR-UHFFFAOYSA-N 352.773 4.778 0 40 FJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)C(Cl)=C(Cl)Cl 2149318 VCCKAMIEVUYFHS-UHFFFAOYSA-N 361.587 4.837 0 40 FJAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C[C@@H](C)CC2 2197364 NCEYEBIXPMXSQN-LBPRGKRZSA-N 374.531 4.859 0 40 FJAB CN(C)[C@@H](C(=O)c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1 2631279 HKEWMTMGTFFFIR-JOCHJYFZSA-N 365.423 4.910 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(Cl)cc1 2631995 FYARGQYSQMCVMZ-UHFFFAOYSA-N 358.869 4.530 0 40 FJAB Cc1cnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1 2646050 PKAWDDSYHWEFRC-UHFFFAOYSA-N 351.225 4.521 0 40 FJAB Cc1ccccc1NC(=O)C[C@H]1C[C@@H](C(=O)Nc2ccccc2C)C1(C)C 3172172 FGSSIGKBEJZSTR-MSOLQXFVSA-N 364.489 4.933 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OC(F)F)cc1 3432884 CQHGHPMEGQFBIG-UHFFFAOYSA-N 353.368 4.807 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)c1 3501036 FCYOBNRAWNVSII-NSHDSACASA-N 373.865 4.538 0 40 FJAB Brc1ccc(CSc2ccc(-c3cccnc3)nn2)cc1 4392066 IBAZHIDWEWSLDH-UHFFFAOYSA-N 358.264 4.593 0 40 FJAB CSc1ccccc1-c1nnc(NC(=O)c2ccc3c(c2)CCCC3)o1 4585575 HGPSSHRCPNNOCJ-UHFFFAOYSA-N 365.458 4.590 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](CC)C2 6119646 TXGWRROMVUXHJW-CQSZACIVSA-N 371.502 4.621 0 40 FJAB COc1ccccc1OCCCn1cc(C(=O)C(C)C)c2ccccc21 6306645 RWIJWCHDZHCNIH-UHFFFAOYSA-N 351.446 4.958 0 40 FJAB Cc1ccc(/C=C/C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)o1 6578546 UAMZUKMCAPWUBI-VMPCVLLUSA-N 360.866 4.779 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3ccccc3)cc2)cc1 7224819 QXZMFUAUYYWRSI-MRXNPFEDSA-N 358.441 4.995 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 7929037 MRBLCAQTCTXRHC-CRAIPNDOSA-N 365.473 4.775 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1ccccc1NC(=O)c1ccco1 8434651 QEAWIGRDGSXNML-UHFFFAOYSA-N 362.429 4.909 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OC(C)C)c2)c1 9141943 QMTZJEXGVJYLSA-UHFFFAOYSA-N 360.841 4.728 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccc3c(c2)CCCC3)on1 9305968 TXRNNGINODABNP-UHFFFAOYSA-N 353.809 4.521 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nnc(C2CCCCC2)s1 12763224 JLPIWMDOGBZPPX-UHFFFAOYSA-N 369.412 4.786 0 40 FJAB CCC(=O)N(c1nnc(SCc2cccc3ccccc23)s1)C1CC1 12776567 FAKZYTHTUYELEU-UHFFFAOYSA-N 369.515 4.889 0 40 FJAB C/C1=C\[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 12870226 XUVXBQLHPFQADG-ZKELUKSFSA-N 358.478 4.627 0 40 FJAB C[C@@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C[C@@H](C)O1 12898403 LGPSJMKEOCXTMC-GHMZBOCLSA-N 354.233 4.503 0 40 FJAB FC(F)Oc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 13686395 ARZHHWJGVISKNJ-UHFFFAOYSA-N 355.408 4.760 0 40 FJAB O=C1CCCN1c1ccc(-c2csc(NCCc3cccs3)n2)cc1 14103899 OFZNPACGJXQQLS-UHFFFAOYSA-N 369.515 4.653 0 40 FJAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CCC[C@H]2OC(C)=O 16321845 ZUSONHKRTFWOTR-DHIUTWEWSA-N 366.457 4.764 0 40 FJAB O=C(/C=C/c1ccc(Br)cc1)N(Cc1ccccc1F)C1CC1 26393721 JNEAQSGRTJSLIK-KPKJPENVSA-N 374.253 4.793 0 40 FJAB CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)c2ccccn2)cc1 27584605 MLQOTUDAQWHKBW-UHFFFAOYSA-N 360.457 4.890 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 31915054 LMUUXUMLOAODKM-OAHLLOKOSA-N 358.869 4.736 0 40 FJAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccccc3)no2)cc1Cl 49422298 RYAVDMJJXLADGC-UHFFFAOYSA-N 366.808 4.846 0 40 FJAB CCSCc1ccc(C(=O)Nc2ccccc2CN(CC)C(C)=O)cc1 55325421 OMJPGLSRGWJAQG-UHFFFAOYSA-N 370.518 4.560 0 40 FJAB COc1ccc(Cc2ccc(F)cc2)cc1-c1noc(-c2ccncc2)n1 66088557 IPHXFKKLJQOLSB-UHFFFAOYSA-N 361.376 4.537 0 40 FJAB COc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348807 PKQRDXMJEWTRQN-FQEVSTJZSA-N 359.473 4.532 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2Cc2cnn(C)c2)n1 72370042 LPBUZELZPOMTRU-JOCHJYFZSA-N 364.468 4.657 0 40 FJAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)cc1OCC(C)C 72403756 OVEFVAYQHFKUIP-HNNXBMFYSA-N 357.454 4.631 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)c1ccc(F)cc1 76054479 ZWJLBAWJHKHUOF-CYBMUJFWSA-N 352.413 4.511 0 40 FJAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)cc1Cl 85651294 NHKIDFQMVLTUDT-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 95116106 FDZROQKCYALIHN-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Cc1ccnc(NCc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)n1 95996835 HLWYHDGRVWDFBG-UHFFFAOYSA-N 366.852 4.611 0 40 FJAB CCC[C@]1(C(F)(F)F)CCCN1Cc1csc(-c2ccccn2)n1 97019497 NGHXSJNZWXXCCT-MRXNPFEDSA-N 355.429 4.902 0 40 FJAB CN(Cc1cccc(F)c1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 98129977 KVJFYMNMYFLGSJ-UHFFFAOYSA-N 366.223 4.815 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)c(C)c1 216270287 SPZUJDRZHFLGQZ-INIZCTEOSA-N 366.230 4.693 0 40 FJAB CCOc1cc(C(=O)OC)ccc1OCc1ccc(Cl)cc1Cl 216822038 BXRVZHREOCXXOH-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@@H](C)C3)c(C)cc2N)c1 216866950 UGDWBJPHNRRQPD-IYBDPMFKSA-N 351.494 4.620 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OC(C)C)cc1)CC(C)(C)O2 218985176 DLLRWWRROXATLN-IBGZPJMESA-N 369.461 4.515 0 40 FJAB Cc1cnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Cl)c1 223909142 ZWXRCYGLCFKHMH-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(I)c1 225009837 ZDCRTSKSRXNLPO-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB CCCCc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225801293 SMZIRVOSPDHXHK-UHFFFAOYSA-N 367.424 4.790 0 40 FJAB C[C@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)CCc4ccco4)[C@@H]3C=C12 248195155 ORYWHTWXSGORLG-ZAXWGQPQSA-N 371.521 4.505 0 40 FJAB O=C(c1cccnc1C1CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 541398820 PZJUQHOIXBYMNW-JOCHJYFZSA-N 354.453 4.747 0 40 FJAB c1ccc(-c2cnc(Nc3ccc(CC[C@@H]4CCCN4)cn3)s2)cc1 585263014 VKLSTPFVXJCAQN-KRWDZBQOSA-N 350.491 4.633 0 40 FJAB COc1ccc(Cn2c(SCC=C(C)C)nc3ccsc3c2=O)cc1 1889078138 XMTLMNHJCBEDOV-UHFFFAOYSA-N 372.515 4.573 0 40 FJAB CN1CCC[C@H]1c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2c1 2037845753 KCJBOFDYEOUGIH-INIZCTEOSA-N 361.367 4.667 0 40 FJAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc(-c2ccccc2)o1 846017 DTQIVPAOJFSNFW-UHFFFAOYSA-N 359.168 4.817 0 40 FJAB CCOc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1327264 FMWRLFCBIOREST-UHFFFAOYSA-N 366.486 4.715 0 40 FJAB CCOc1cc(C=O)cc(Cl)c1OCc1cccc(Br)c1 1438506 AGLXAHNHXFVBFO-UHFFFAOYSA-N 369.642 4.893 0 40 FJAB Fc1cccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 2238155 AQFVRFUQXOLDIB-UHFFFAOYSA-N 362.433 4.761 0 40 FJAB COc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2303073 JZENPVJTSLPQRV-UHFFFAOYSA-N 352.397 4.644 0 40 FJAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1 2483847 NAFNHQAZRWDMJB-UHFFFAOYSA-N 364.879 4.573 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(OC(F)F)c1 3340473 FTQWZEKLYNBMOF-UHFFFAOYSA-N 366.795 4.794 0 40 FJAB CCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C 3456607 HCVHDHGQTGLQIV-JOCHJYFZSA-N 369.549 4.944 0 40 FJAB Fc1cccc2sc(Nc3nc4cc5c(cc4s3)OCCO5)nc12 4137840 DXTNNZHDKLFBQB-UHFFFAOYSA-N 359.407 4.560 0 40 FJAB aggregator Cc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccc(Cl)cc3)c2c1 5033812 LPLFBYVNRMPXTL-UHFFFAOYSA-N 357.910 4.967 0 40 FJAB COc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)nc1 5244470 ZTDKAMQXSGUXEC-UHFFFAOYSA-N 368.864 4.612 0 40 FJAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 5870112 GFSKLZGOOZDYBQ-UHFFFAOYSA-N 369.420 4.636 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2COC)cc1 6785759 BLENLKGBYGJAHS-UHFFFAOYSA-N 352.434 4.678 0 40 FJAB Cc1ccc(CSCc2nnc(S)n2[C@@H](C)c2ccccc2)cc1 6788300 PIPKRBNZCLUUIO-HNNXBMFYSA-N 355.532 4.918 0 40 FJAB CCN(C(=O)Cc1ccc(OC)cc1)c1nc(-c2ccc(C)cc2)cs1 6826541 CIWTTXGXRMTNOC-UHFFFAOYSA-N 366.486 4.723 0 40 FJAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc(Cl)cc1 7427780 XRFJUQOMVZQCOR-JTQLQIEISA-N 362.813 4.893 0 40 FJAB CC(C)Cn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544499 XFYAGHROEVOICV-HNNXBMFYSA-N 367.880 4.866 0 40 FJAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 7723715 NRCBMVGSQMKTSL-UHFFFAOYSA-N 361.879 4.833 0 40 FJAB FC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)[nH]n2)c1 12358037 JUGKZSSXVHLDQG-UHFFFAOYSA-N 352.287 4.947 0 40 FJAB O=C(NCCCc1nc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1 12550202 QGCMAUJLLSHPNY-UHFFFAOYSA-N 371.440 4.718 0 40 FJAB Cc1ccccc1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 12814435 VYBFMRGNFODRBB-UHFFFAOYSA-N 374.271 4.728 0 40 FJAB CCc1noc(CSc2ncnc3scc(-c4ccc(C)cc4)c23)n1 12898069 LQNZIAKEFFFTAL-UHFFFAOYSA-N 368.487 4.904 0 40 FJAB Cc1sc2ncnc(NC[C@@H](c3ccccc3Cl)N(C)C)c2c1C 13069913 VRMSDHJBEJHCGK-HNNXBMFYSA-N 360.914 4.676 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 20493779 HGISONGIEJUGMS-MGPUTAFESA-N 359.441 4.505 0 40 FJAB COc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)c1 20672072 XATGLMQIJYHUOR-UHFFFAOYSA-N 361.445 4.780 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1ccccc1F 20745170 NDUMXPJSZJBZHA-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 24830089 AOUUVOSFWLEIMW-NRFANRHFSA-N 366.436 4.845 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 24969159 IPALVECCCTXXQR-CCEZHUSRSA-N 356.469 4.886 0 40 FJAB COc1ccc(CN(C(=O)c2cc(SC)ccc2Cl)C2CC2)cc1 26384816 BURCOTVLGYTOTN-UHFFFAOYSA-N 361.894 4.875 0 40 FJAB O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(-c2ccccc2)cc1 27916089 PLPGYUHBBNKYKO-UHFFFAOYSA-N 371.415 4.990 0 40 FJAB O=C(CSc1nc(CC2CCCC2)n[nH]1)c1ccc2ccccc2c1 31797716 DRBKDWVZOUFLIN-UHFFFAOYSA-N 351.475 4.666 0 40 FJAB CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)=O 31829408 CEVKSHVSUJZMNR-QKKBWIMNSA-N 351.446 4.529 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H](NCCc2cccs2)c2ccccc2)c1 35351436 LGDZVGYDBZHSHV-NRFANRHFSA-N 364.514 4.877 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccccc1 36092678 RJQBZQVPLDKKEY-AVRDEDQJSA-N 350.506 4.800 0 40 FJAB COc1cccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)c1 36614077 RGGHWOWEPXEZGD-UHFFFAOYSA-N 365.380 4.845 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38856715 AUXPFVHMGFJFPV-SFHVURJKSA-N 354.469 4.800 0 40 FJAB Fc1ccccc1CN(CCCn1ccnc1)Cc1cccc2cccnc12 43277832 WTTJGPMJIMQWDA-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB Cc1ccc(-c2nnc(Sc3ncnc4sc(C)c(C)c34)n2C)cc1 48253696 DQKNUFNTRFUMJO-UHFFFAOYSA-N 367.503 4.563 0 40 FJAB CC1=Nc2c(c(O)nn2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2)S1 95477184 QLJLTYQCZMCXTO-GOEBONIOSA-N 357.479 4.605 0 40 FJAB COC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1F 96008707 KKNBNWQWYLWVHK-IRXDYDNUSA-N 370.424 4.870 0 40 FJAB O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 97257104 PTZFBNQAQYAFLB-SJORKVTESA-N 371.362 4.633 0 40 FJAB CCc1nn(Cc2ccccc2)c(N)c1-c1cccc(Br)c1 199749663 DLFBGSAFWISHKV-UHFFFAOYSA-N 356.267 4.506 0 40 FJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCc3ccccc32)cc1 216492679 ITYBGOXRCAVJBW-UHFFFAOYSA-N 364.395 4.780 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222971161 DEWBLFYNQOJWFS-KSFYIVLOSA-N 367.489 4.609 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(Cl)cc1 222993031 PVEXUWAFVSNPRH-HXUWFJFHSA-N 359.897 4.863 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COC 224685608 CNMVXKGQFNNZTM-UHFFFAOYSA-N 353.340 4.503 0 40 FJAB O=C(CCc1cccc2ccccc12)NCCOc1ccccc1Cl 224939290 TXSOPPUNZZHYHS-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 225073703 YCASFAQZJOCWFB-OAHLLOKOSA-N 371.786 4.833 0 40 FJAB CN(CCCNC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225379176 FMYCDCRYBVBFBF-UHFFFAOYSA-N 365.304 4.569 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)c1 225716008 UPSOKWOMRCSRFA-IBGZPJMESA-N 370.518 4.918 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1 225863387 GDRXHFRTCNDBQP-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB Fc1ccc(Cc2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)cc1 257252412 JURWBQMIZAOBOE-QHCPKHFHSA-N 361.464 4.934 0 40 FJAB Cc1ccc(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)cc1C 408531507 UGXMBFMZCUZTTO-UHFFFAOYSA-N 362.473 4.882 0 40 FJAB COc1ccccc1O[P@](C)(=O)Nc1cccc(Br)c1 726705 GGAVBASRIWXGOJ-FQEVSTJZSA-N 356.156 4.772 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccc(Br)o3)n2)cc1 799347 XFMQJEFGKXDDDU-UHFFFAOYSA-N 363.236 4.726 0 40 FJAB COc1ccccc1[C@@H](CCNC[C@@H]1CCOC(C)(C)C1)c1ccco1 2126695 ZJRAJVFUDNLVDK-IEBWSBKVSA-N 357.494 4.605 0 40 FJAB biogenic FC(F)(F)c1ccccc1NC(=S)c1cnc(N2CCCC2)s1 2637974 FAKKKXIYWPDCGI-UHFFFAOYSA-N 357.426 4.550 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cccc(Cl)c1 2963408 MDUSYPBBVROEFJ-BEFAXECRSA-N 374.893 4.673 0 40 FJAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3414155 ZCPRGQQZGYLVPW-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 3849862 JVXLQGKEDVFQKL-UQOPEDAQSA-N 374.521 4.624 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033255 QRMNBRPDSLPCLR-OAHLLOKOSA-N 367.880 4.929 0 40 FJAB CCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O 4043098 MBSLBYHJUYYTFS-UHFFFAOYSA-N 370.832 4.887 0 40 FJAB biogenic Cc1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 4120144 QQCWYEYXVDUHEZ-UHFFFAOYSA-N 362.857 4.533 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 5083512 UCMRBDPZRZTJQE-UHFFFAOYSA-N 363.442 4.714 0 40 FJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Cl)ccc1Cl 6240434 VLFUYVOTLMCIRV-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB COc1ccc(OC)c(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 6952191 WQHYHHFPPRNQQM-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)c1C 6968411 NZIITZSDEFEMRH-MOSHPQCFSA-N 361.489 4.677 0 40 FJAB Fc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 7252181 WXKIPMXGBULZAT-UHFFFAOYSA-N 364.243 4.666 0 40 FJAB CCOc1ccc(C(C)=O)cc1COc1ccc2c(C)cc(=O)oc2c1C 7464890 RTDBBGKQOKSQFD-UHFFFAOYSA-N 366.413 4.590 0 40 FJAB CCOc1c(Br)cc(CNC2CCCCCC2)cc1OC 8253334 DZRMOAKCVKDFRM-UHFFFAOYSA-N 356.304 4.669 0 40 FJAB CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 8654023 JBTGFPJGXMYCIA-WMZOPIPTSA-N 361.489 4.911 0 40 FJAB Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 8755547 WIXXUSCBWAOAAH-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB CCCOc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 9498666 MXHMIUKZAGUIPO-UHFFFAOYSA-N 358.488 4.842 0 40 FJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 11659778 PYXLAOLLYXUVPR-INIZCTEOSA-N 363.413 4.894 0 40 FJAB CCOC(=O)c1c(C)n(CCSCC)c2c1cc(O)c1ccccc12 12413733 ARKVAMJJCGXVMD-UHFFFAOYSA-N 357.475 4.738 0 40 FJAB biogenic,in-vitro O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(Cl)c2ncccc12 12522579 IJVFIETZUUVEQE-UHFFFAOYSA-N 369.833 4.786 0 40 FJAB CCCn1c(SCC(=O)c2ccc[nH]2)nc2ccc(C(F)(F)F)cc21 12544285 BHFZOAKGRMXEFU-UHFFFAOYSA-N 367.396 4.768 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3Cl)o2)cc1 12986122 LGGRFXLFUHPIEX-UHFFFAOYSA-N 369.848 4.858 0 40 FJAB COC(=O)c1ccc(-c2nc3cnccn3c2Nc2c(C)cccc2C)cc1 15414016 ALYHSTDRQVUCFS-UHFFFAOYSA-N 372.428 4.543 0 40 FJAB CCCOc1ccc(NC(=O)c2ccc(OCC)cc2)c2cccnc12 15840931 OKOJTJKTSLYTSY-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB Fc1ccc(COc2cccc(CNCCc3ccccc3F)c2)cc1 16449550 WXQYZDCOBKGOOB-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB C[C@@H]1CCCC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1cccnc1 17311196 NCDNQCQLJMZYPG-XMSQKQJNSA-N 360.505 4.662 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)C1 20050339 SNFSPZPCYKAFEU-SFHVURJKSA-N 374.594 4.714 0 40 FJAB CCc1cc2c(Oc3ccc4c5c(c(=O)oc4c3)CCC5)ncnc2s1 24057592 YYKHAQLPJPAGQK-UHFFFAOYSA-N 364.426 4.641 0 40 FJAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1csc(-c2ccccc2)n1 24832984 WXJURWHMFNHDHZ-CHWSQXEVSA-N 354.397 4.661 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)sc2c1 28288111 OTSWLDOTQNERAH-INIZCTEOSA-N 372.921 4.896 0 40 FJAB COC(=O)CS[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 29387553 RHUPIZGWFSQYKQ-CYBMUJFWSA-N 374.893 4.705 0 40 FJAB COc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1OC 30870324 IKEQLNXGIOKVDM-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB CCc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1 32719390 LFJDETCMKXYFTJ-LPHOPBHVSA-N 372.534 4.605 0 40 FJAB CC(C)(C)c1ccc(C(=O)c2ccccc2I)cc1 37354821 TUIFWIKFMZBVAE-UHFFFAOYSA-N 364.226 4.820 0 40 FJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 44901138 SLCPGRNFTXSHKJ-LJQANCHMSA-N 371.546 4.737 0 40 FJAB S=c1n(C2CC2)cnn1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 48367069 UNLOJOLUZSLLSG-UHFFFAOYSA-N 369.321 4.678 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CCOCC1 68826364 HLKAOJBQHSXGCP-UHFFFAOYSA-N 365.351 4.863 0 40 FJAB COc1cc(-n2cccc2)c(C)cc1NC(=O)c1cc2ccccc2n1C 71285447 ZYDZUIRURKYENC-UHFFFAOYSA-N 359.429 4.538 0 40 FJAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cccc(C)n1 97108964 LDYMCTWKSGVIDP-IBGZPJMESA-N 363.505 4.752 0 40 FJAB O=C(NCc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 216572250 XXGNNZZSANPAMO-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219295141 VYVABPQWEXYYFK-VQIMIIECSA-N 367.489 4.743 0 40 FJAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccccc2C(C)C)c2ccccc12 222619495 FUTNQWUTFVLDDT-HNNXBMFYSA-N 365.429 4.659 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)COc2cccc(C)c2)cc1C(C)C 223370139 LICVJEVXDXWJAU-QGZVFWFLSA-N 355.478 4.692 0 40 FJAB CC(C)Oc1cccc(NC(=S)NCCSC2CCCCC2)c1 225358832 SHGIIPMDIGFBSO-UHFFFAOYSA-N 352.569 4.826 0 40 FJAB Cc1nc2ccc(NC(=S)N3CC[C@H](c4ccccc4)C3)cc2s1 408978238 LYVOXBDFVRULML-HNNXBMFYSA-N 353.516 4.791 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409010419 DUWLFWGMMGZLMN-ZRRZQRFHSA-N 353.871 4.962 0 40 FJAB O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1C1CCCCC1 409083692 LLQCPZUKHIFOGI-ATVHPVEESA-N 370.836 4.825 0 40 FJAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 1557186857 GXXKCNZNCZRKLP-NVXWUHKLSA-N 352.821 4.529 0 40 FJAB CCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccc(C)c2)s1 1345426 SKDUXDIQMNFEBO-UHFFFAOYSA-N 351.475 4.879 0 40 FJAB Cc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1 3922662 WQQCQDHYFSXKNN-UHFFFAOYSA-N 366.056 4.835 0 40 FJAB CCOC(=O)/C=C(\C)N1N=C(/C=C/c2ccccc2)C[C@H]1c1ccccc1 4012561 LBVMKYMCFNYGIK-TXUBGXSCSA-N 360.457 4.970 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1C 4033297 MSXZYCSUIRYSHE-SFHVURJKSA-N 361.489 4.830 0 40 FJAB NC(=O)c1oc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl 4135075 VCNKPBKXTWEPFH-UHFFFAOYSA-N 370.817 4.652 0 40 FJAB Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 4144439 TYOFCNMGFXVLCV-ZDUSSCGKSA-N 370.518 4.559 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1cccs1 4854571 KILSKQUHQOAFTJ-QGZVFWFLSA-N 357.866 4.840 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1Br 5278906 NOMCEBIEKRINOP-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)cc1 5305580 CFFQARHSPWNBIF-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB O=C1[C@@]2(CCC[C@@]13N=NC[C@H]3c1ccccc1)N=NC[C@@H]2c1ccccc1 5554864 GJFCAYFWCNOHCA-MXNKGDRCSA-N 358.445 4.716 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 5700783 JOBIURJVWMYHCK-UHFFFAOYSA-N 353.447 4.636 0 40 FJAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccccc1OC(F)F 6044459 VSOCMWUFIGNAAV-PXNMLYILSA-N 373.399 4.801 0 40 FJAB O=C(CSCc1c(F)cccc1Cl)N[C@H]1CCCc2ccccc21 6313806 JQZDYGWLZKDSDH-SFHVURJKSA-N 363.885 4.906 0 40 FJAB Cc1c(C(=O)N[C@@H](C)c2ccccc2Br)oc2ccccc12 6654413 JCRHAHSDESXURB-LBPRGKRZSA-N 358.235 4.995 0 40 FJAB Cc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1 7653618 NNZQPRCYMAOVKX-UHFFFAOYSA-N 373.452 4.699 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 7967278 JBMUFNZCCFKDCX-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21 9164697 YBDBWCCATHWKEL-UHFFFAOYSA-N 372.415 4.542 0 40 FJAB COc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120011 AQERBLRTDYUYRN-UHFFFAOYSA-N 358.397 4.680 0 40 FJAB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3)C[C@H]21 10215567 FOIDJJULTXQNDG-NQIIRXRSSA-N 362.454 4.999 0 40 FJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1cccc(Cl)c1 11865813 MTOYIPNKVAHBRG-INIZCTEOSA-N 360.866 4.615 0 40 FJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C(C)(C)C)n2)cc1 12441861 JLVVKUKIVJTRDV-UHFFFAOYSA-N 354.479 4.597 0 40 FJAB CN1/C(=C\C=N\Nc2ccc(Cl)c(C(=O)O)c2)C(C)(C)c2ccccc21 12579124 IBWFAPNPUHXJAK-GAXJMJBXSA-N 369.852 4.747 0 40 FJAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)ccc2o1 12882685 YNYRXCKXSUHWRA-CYBMUJFWSA-N 352.434 4.840 0 40 FJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1F 12985435 TWDQQBJDNWFKPC-UHFFFAOYSA-N 363.314 4.591 0 40 FJAB COc1cc(OC)c(-c2cc(C)c3cc4c(cc3n2)OCO4)cc1Cl 13095399 CUJKPIIIODOXHD-UHFFFAOYSA-N 357.793 4.610 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3sc4ncccc4c3N)n2)cc1 13549966 PMQWUCRSZUDJOP-UHFFFAOYSA-N 366.471 4.563 0 40 FJAB CCn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccco1 14070611 IFKMYLFVZRXHCP-UHFFFAOYSA-N 358.448 4.567 0 40 FJAB CCCCN1C[C@H](c2nc3ccccc3n2CC2CCCCC2)CC1=O 14095524 ORSGIDVYFCMUOP-GOSISDBHSA-N 353.510 4.733 0 40 FJAB C[C@@]1(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1(Cl)Cl 14711643 HSCFRKGRTSLKAQ-HNNXBMFYSA-N 361.700 4.853 0 40 FJAB COc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCC[C@H]3C)c2)cc1 17311182 ZSIAIRUKTYEKAC-IERDGZPVSA-N 352.478 4.616 0 40 FJAB CC(C)(C)C1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 19082365 GYCJBYFLMUVDQU-UHFFFAOYSA-N 374.488 4.590 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)cc1 22056205 MMMYQONSGGURPS-LJQANCHMSA-N 352.409 4.826 0 40 FJAB O=C(Cc1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1 26423754 NHROZZXXWVTAQE-UHFFFAOYSA-N 354.409 4.634 0 40 FJAB CC(C)c1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1 31681282 RZNAXOXCXLFHPY-UHFFFAOYSA-N 361.470 4.692 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2cccc(Cn3cccn3)c2)cc1Cl 32467475 SQLRCSXWHUOMBS-CMDGGOBGSA-N 351.837 4.545 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 36620639 VMHRAMSBDPDXRL-IBGZPJMESA-N 361.482 4.649 0 40 FJAB O=C(CNc1cccc(OC2CCCC2)c1)N1CCC[C@@H]1c1cccs1 58128956 JAHUKXVAPIBLLE-LJQANCHMSA-N 370.518 4.845 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)o2)cs1 58368969 YVEPGXDHEBXBKQ-LSDHHAIUSA-N 372.877 4.785 0 40 FJAB Cc1ccc(C[C@@H]2CCCN(Cc3nnc(-c4ccc(F)cc4)o3)C2)cc1 65261245 XAVCBQWBHOMMCT-SFHVURJKSA-N 365.452 4.639 0 40 FJAB COc1cccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)c1 72229550 DPLBCECGPYYWGF-UHFFFAOYSA-N 373.884 4.928 0 40 FJAB O=C(Nc1ccnn1C1CCCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 73512517 SVINIKTVGUORGD-CABCVRRESA-N 363.383 4.759 0 40 FJAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccsc2)CC3)cc1 96047256 MHNFYXQTEYJWMC-UHFFFAOYSA-N 354.563 4.935 0 40 FJAB CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)no1 115921006 BFQBPSHFYQCVJM-MRXNPFEDSA-N 355.825 4.517 0 40 FJAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222581208 UEOGBWMNZFOLTR-JBBXEZCESA-N 373.909 4.723 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224255778 BIHAVOOEOLHTRB-WOJBJXKFSA-N 363.486 4.777 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F 224829300 VQRNAADQZIZDLF-GFCCVEGCSA-N 367.873 4.598 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2ccccc2Cl)c2ccccc2O1 224925022 IEICTHJHYOPALU-QGZVFWFLSA-N 373.880 4.918 0 40 FJAB Cc1ccc(CCCNC(=S)Nc2ccc(Br)cc2)cc1 225386845 QUSDVFRQIFGRLV-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1ccnc(-c2ccsc2)c1 225756348 YOCQMBMZICJFNV-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(F)(F)F 225807092 NVXSASMPLBYXHV-SJKOYZFVSA-N 359.388 4.638 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)NCc1cccc2ccccc12 225859013 OHBVHUUXATZBQX-UHFFFAOYSA-N 359.454 4.597 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1C[C@@H](C)C[C@H](C)C1 226330205 OLHRZCSWUGSHOF-KBPBESRZSA-N 371.912 4.965 0 40 FJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1 226356067 CVZOLFCCJPUEAH-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB O=C(c1cc(Br)cs1)N1CCCC[C@@H](c2ccccc2)C1 390825942 RUQOHTRRDLSKBG-CQSZACIVSA-N 364.308 4.921 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 408573379 DCBRXJLFNOTJER-MRXNPFEDSA-N 371.502 4.904 0 40 FJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408799859 IRBXBAOCEUQVKI-UHFFFAOYSA-N 368.869 4.893 0 40 FJAB Cc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)c1 409196037 SITSCIDPXACWBL-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21)c1ccccc1 409371509 KHZFFQBQVOFGLL-PRTQVNTJSA-N 369.464 4.699 0 40 FJAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 670732 KMJLDZFPMQDDHJ-HOTGVXAUSA-N 369.486 4.546 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 1510203 MTFPYTFZOCKYMQ-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)C3=O 1855561 HQVBDUZROQMWRN-VXGBXAGGSA-N 368.429 4.529 0 40 FJAB biogenic Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1 4854415 BNDFXLABAZSHKP-FQEVSTJZSA-N 367.399 4.712 0 40 FJAB CCN(CC)CCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 5123980 IPNLKYHAOUKDJV-DQRAZIAOSA-N 351.519 4.791 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1cccc(Cl)c1 5186015 BJLLTRYVLZTBPB-VAWYXSNFSA-N 359.816 4.605 0 40 FJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3C)n2)cc1 5267970 JMMYVYXOIPKRCF-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 6561575 QFGOIVAGAURAEJ-UHFFFAOYSA-N 352.365 4.540 0 40 FJAB COc1cc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(OC)cc1Cl 8031936 LWWGUTIDXZNRCR-JTQLQIEISA-N 365.882 4.796 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(Cl)cc1 8291117 GMNHCAIKSZQLNI-GFCCVEGCSA-N 360.866 4.548 0 40 FJAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1Cl 10213469 PCEKAFQAZNBNAK-CWTRNNRKSA-N 373.861 4.573 0 40 FJAB COC(=O)c1cc(NC(=O)CCc2ccc(C(C)C)cc2)ccc1Cl 10332396 YKAIXTYLIYKDQA-UHFFFAOYSA-N 359.853 4.821 0 40 FJAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2cnn(C(C)C)c2n1 10808790 MFJURLQQHXCHFA-UHFFFAOYSA-N 363.248 4.880 0 40 FJAB Cc1ccc(C(=O)OC/C=C/c2ccccc2)cc1NC(=O)c1ccco1 11286387 ZHZYRCRNSOENJN-WEVVVXLNSA-N 361.397 4.711 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12556369 FNGBSFOEBZSIDW-UHFFFAOYSA-N 366.490 4.633 0 40 FJAB COc1ccc2c(c1)c(C(=O)CN1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)c(C)n2C 12658469 NPEAVBVVTBDHLM-HJPURHCSSA-N 368.521 4.579 0 40 FJAB Cc1ccc(-c2noc(CSc3nnc(-c4ccc(F)cc4)o3)n2)cc1 12677675 XXMOAGJRLYZFAM-UHFFFAOYSA-N 368.393 4.526 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2F)n1-c1ccccc1 13003033 SCLSWFRWJREFFF-ACCUITESSA-N 360.363 4.834 0 40 FJAB CC(C)Oc1cccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 13681239 OGBGPOXFIGBGKG-UHFFFAOYSA-N 374.289 4.723 0 40 FJAB CCCCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 14481670 LMDAHWGAPDLFEE-GOSISDBHSA-N 354.425 4.623 0 40 FJAB Cc1ccc(CSc2nc(=O)n(-c3ccc(C)cc3)c3c2CCC3)cc1 15840417 CKJIQDMJNODHRZ-UHFFFAOYSA-N 362.498 4.630 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)c1 16489316 BFUCVLBEPMCENV-UHFFFAOYSA-N 353.249 4.518 0 40 FJAB Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1 16700324 GRRGYANYJKPAJV-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB Cc1cc(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)cc(C)c1Cl 16903697 YXTYUQARUBPWJM-INIZCTEOSA-N 372.896 4.870 0 40 FJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(Cl)c1Cl 20138673 SPJTZXIXTMHHLP-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)cc1Cl 20139426 FRMJUOCZZRDAGJ-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB COc1cc(CN[C@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C 22773737 ZIKMGVKDGDHWAM-KUHUBIRLSA-N 358.482 4.547 0 40 FJAB COc1cc(F)ccc1NC(=O)CCCOc1ccc(Cl)cc1C 25309706 LFMUAMKROWQJAS-UHFFFAOYSA-N 351.805 4.594 0 40 FJAB CCOc1cc2c(cc1NC(=O)CCc1ccccc1Cl)O[C@H](C)C2 26886325 VQSCPBWVSNEFSU-CYBMUJFWSA-N 359.853 4.633 0 40 FJAB Cc1cc(O)c(NC(=O)c2cc(Br)ccc2Cl)cc1C 32204108 YQABQXWFHHYGKT-UHFFFAOYSA-N 354.631 4.677 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1cnc2ccccc2c1)c1ccccc1 32900704 HFTDYUONYQFNAD-UHFFFAOYSA-N 367.408 4.739 0 40 FJAB CSc1nc2ccc(NC(=O)Nc3c(F)cccc3F)cc2s1 38671352 XYFDQXILMMXUQW-UHFFFAOYSA-N 351.403 4.940 0 40 FJAB C[C@@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1cccc(Cl)c1 40159808 VKCKUYWTJOMPOF-CHWSQXEVSA-N 373.909 4.888 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2ccsc2)Cc2ccco2)cc1 42382032 BYFYPALMPOECPM-UHFFFAOYSA-N 355.459 4.971 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1C 44886530 RCGPCWHDYOBEMS-HXUWFJFHSA-N 369.461 4.585 0 40 FJAB O=C1CCCN1c1ccc(F)c(NC(=O)N2CCC[C@H]2C2CCCCC2)c1 48251085 NPIKZSCJPCVMQT-IBGZPJMESA-N 373.472 4.529 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)cc1OC 48276434 ZCRWASVRCLSXAP-LJQANCHMSA-N 364.445 4.696 0 40 FJAB O=C(NC1=NCCS1)c1oc2ccccc2c1CSc1cccs1 58208917 NKCFSGJUADRILH-UHFFFAOYSA-N 374.512 4.619 0 40 FJAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997159 IDSZNUUSOOZRRY-UHFFFAOYSA-N 366.417 4.780 0 40 FJAB COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2ccsc2)cc1)OC 96384821 JLUSOZPULNOKBM-HXUWFJFHSA-N 367.470 4.541 0 40 FJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccs1 96833851 XMYGTVQUFOMDHW-UHFFFAOYSA-N 352.440 4.983 0 40 FJAB aggregator O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 97257103 PTZFBNQAQYAFLB-IRXDYDNUSA-N 371.362 4.633 0 40 FJAB CCn1cc([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 101267354 YWDTVWVZXASVKZ-FQEVSTJZSA-N 368.436 4.862 0 40 FJAB O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 102729843 ZTRBOBVGGNZMJG-ORDITMOKSA-N 358.485 4.875 0 40 FJAB COc1ccccc1[C@@H](CCN[C@H]1CCO[C@H](C(C)C)C1)c1ccco1 103458783 ADZJVPMVUQQIJT-KPLVRAHFSA-N 357.494 4.603 0 40 FJAB CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1Cl 206852272 NJIXGVCLGLTNFK-PEKVBPLLSA-N 361.894 4.579 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 225317652 ULOMLQAEDOGXIM-DEOSSOPVSA-N 359.469 4.842 0 40 FJAB Cc1cccc(CCCNC(=O)CCc2ccc(Cl)cc2Cl)c1 225372623 QOHJHLPKQZVVOI-UHFFFAOYSA-N 350.289 4.983 0 40 FJAB COc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672892 KTGMCULXYUVYPW-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccccc1C 225759490 NNZLBNPYNRXGKR-KRWDZBQOSA-N 365.502 4.990 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1cc(C)c(-c2ccccc2)s1 526052560 ZQMYXAIQGUWDRB-UHFFFAOYSA-N 351.427 4.762 0 40 FJAB FC(F)(F)Sc1ccccc1CNCc1ccc(Br)o1 725270521 LNUFPWBWGSQZGQ-UHFFFAOYSA-N 366.202 4.944 0 40 FJAB CC(C)c1cc(NC(=O)NCc2ccc(F)c(F)c2)n(-c2ccccc2)n1 1672075932 ZJFYCQYETXWNMO-UHFFFAOYSA-N 370.403 4.596 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 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0 40 FJAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Br)s3)nc12 4264305 HRJNQKHMQUEFHB-UHFFFAOYSA-N 367.293 4.989 0 40 FJAB CC(=O)c1ccc(NCn2nc(-c3ccccc3Cl)oc2=S)cc1 4608541 AMSLROGBEKMBHN-UHFFFAOYSA-N 359.838 4.798 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 4838615 TXPRVAJATHDGAN-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC 4848455 BARIGRGUFRRRMV-UHFFFAOYSA-N 373.456 4.939 0 40 FJAB O=C(NC1CCCCC1)c1cc2sccc2n1Cc1ccc(F)cc1 4971282 FKSLDBJFGNFAFN-UHFFFAOYSA-N 356.466 4.953 0 40 FJAB O[C@@H]1CCCCCCCCCC[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 5022230 NTSJAHWLRPOMME-NWDGAFQWSA-N 350.343 4.734 0 40 FJAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 6285365 KPQAOMFCZOGNLV-HNNXBMFYSA-N 360.413 4.521 0 40 FJAB COc1ccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)cc1 8728528 RGRCUZOFBFABPD-LJQANCHMSA-N 350.443 4.562 0 40 FJAB Cc1ccc(C)c(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 10139765 UESPBOZZPJIUEC-UHFFFAOYSA-N 361.489 4.603 0 40 FJAB CSc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 11326401 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C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)S1 222622317 ZKSPYLSXQPXINP-BEVDRBHNSA-N 366.534 4.978 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 222866508 ASJLFEWZMRBCTI-MOPGFXCFSA-N 353.462 4.571 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccc2ccccc2c1 223622057 ASDPQTUPIJLKMF-OAQYLSRUSA-N 363.457 4.501 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Cl)cc1 224453037 WSHMCHPMEJEVSS-DLBZAZTESA-N 371.918 4.974 0 40 FJAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409017813 GBDMZVHHXDUKDB-MBNTZHJCSA-N 371.458 4.692 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 522919227 NZZKELCOJITSSB-IBGZPJMESA-N 365.864 4.636 0 40 FJAB O=C(NCc1cccc2ccccc12)Nc1ccc(-c2ccncc2)nc1 575616306 KUFSXVGSOUXLQG-UHFFFAOYSA-N 354.413 4.619 0 40 FJAB CC(C)NC(=O)Cc1ccc(NCc2c(Cl)oc3ccccc23)cc1 685938837 WJKNLSAIJCVIDD-UHFFFAOYSA-N 356.853 4.765 0 40 FJAB FC(F)(F)c1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1 632723 DEZSGYVSSUCAMT-UHFFFAOYSA-N 352.385 4.919 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC)cc2)c1 724768 HCPBLZZRZFUYJT-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3Cl)c2cc1C 1401756 HUUIPGXNZYFVDC-UHFFFAOYSA-N 363.848 4.710 0 40 FJAB CNc1ccc(/C=C2\C=Cc3ccccc32)cc1I 1570207 UZLGNKBARLETHY-GXDHUFHOSA-N 359.210 4.900 0 40 FJAB CCn1c(NC(=O)C(C)C)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2238142 RQXXQJHFRMFOEQ-UHFFFAOYSA-N 368.864 4.936 0 40 FJAB Cc1nc2ccc(NC(=O)/C=C/c3ccc(Br)o3)cc2s1 2650787 CUXAPXQHYIUBOC-QPJJXVBHSA-N 363.236 4.612 0 40 FJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C 2660093 DNHSHXYCJODQKR-LBPRGKRZSA-N 365.882 4.825 0 40 FJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)c1ccc(Cl)s1 3409145 XTNFVSUVBGHMBK-UHFFFAOYSA-N 373.648 4.913 0 40 FJAB C[C@H](Sc1nnc(NC(=O)CCc2ccccc2)s1)c1ccccc1 4088049 DZHWMSYOLLXQNY-AWEZNQCLSA-N 369.515 4.963 0 40 FJAB Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 4365737 FHIHKWXGBZEUES-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1ccc(Br)cc1F 4666278 PFCRPQPKXNZSJR-UHFFFAOYSA-N 358.210 4.923 0 40 FJAB C[C@@H]1CN=C(N(C(=O)NCCc2ccccc2)c2cccc(Cl)c2)S1 4785787 IKPJODPYGLLGHC-CQSZACIVSA-N 373.909 4.590 0 40 FJAB Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccccc2)c(C)c1 4890964 FQOYJYHQEVQRTP-UHFFFAOYSA-N 365.502 4.613 0 40 FJAB O=C(O)Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(Cl)cc1 5023155 OXUXVAVYZMYVFX-UHFFFAOYSA-N 362.813 4.973 0 40 FJAB Cc1ccccc1C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C 5108256 NKPYQLLFQWYTFL-UHFFFAOYSA-N 354.450 4.539 0 40 FJAB Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(Br)c1 5454906 SKCDZEGNOASVPB-UHFFFAOYSA-N 357.251 4.810 0 40 FJAB O=C(COc1cccc2cccnc12)Nc1ccccc1-c1ccccc1 6128049 JYFPJMPNYPPNEE-UHFFFAOYSA-N 354.409 4.919 0 40 FJAB CCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O 6325813 GOFRSFADDYSVKV-GZTJUZNOSA-N 373.861 4.975 0 40 FJAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(F)c(Br)c1 6340069 DYHGYIWCDNZXAG-VZUCSPMQSA-N 352.590 4.734 0 40 FJAB Cc1ccc(NC(=O)NC(=O)c2c(Cl)nc(C)c(Cl)c2C)c(C)c1 6668342 ZUQXJGDCZGYYFI-UHFFFAOYSA-N 366.248 4.584 0 40 FJAB Cc1ccc2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2n1 6865753 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O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(Cl)c3ncccc23)c1O 27068547 ACLFCGZIPWVPLT-DNTJNYDQSA-N 362.172 4.906 0 40 FJAB Cc1nc2cc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)ccc2o1 32830346 VCMSZNOQWUDQKA-UHFFFAOYSA-N 353.765 4.697 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1ccc2oc(C3CC3)nc2c1 33214169 XAAFRZQHTJHWAP-UHFFFAOYSA-N 365.414 4.577 0 40 FJAB Cc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 33497455 HDABYDUVNXTFIB-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C\c3ccccc3)cc2)c1 33642732 KDVFUWHDGQBCNV-GDNBJRDFSA-N 356.425 4.899 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-c3noc(C(C)(C)C)n3)cc2)cc1 48312066 BJHZCRDCIXLZNO-UHFFFAOYSA-N 365.433 4.685 0 40 FJAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c1 49544533 JFRMORKVQUEEDV-KRWDZBQOSA-N 367.836 4.717 0 40 FJAB Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1CCc1cccs1 71971857 MYKBTPQOFVZOKI-UHFFFAOYSA-N 366.515 4.990 0 40 FJAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 72289000 ULMWTCMMNYJPOQ-GOSISDBHSA-N 360.885 4.954 0 40 FJAB 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Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)c1 3893940 CGKUTWBKANBEHV-CYBMUJFWSA-N 369.486 4.975 0 40 FJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 3904767 XBAPGWKBCRGROR-DENIHFKCSA-N 360.413 4.839 0 40 FJAB CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H](C)CC)c3C)C2)cc1 4686297 YBSQWUNMMYRDHT-CJNGLKHVSA-N 369.461 4.590 0 40 FJAB O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)OCc1ccccc1 4887773 DKRWSCHASXIAHU-QTJGBDASSA-N 370.448 4.886 0 40 FJAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)CNc3ccccc3)cc2)cc1 5173720 DEVVJSCEGGEVII-UHFFFAOYSA-N 368.440 4.538 0 40 FJAB Fc1ccc(-c2nnc(SCc3ccccc3Br)o2)cc1 5324643 RAYZPCLJTVOPMW-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccccc1Cl 5458406 YGMPSKCEILCPSO-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB CC1(C)[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1CC(=O)Nc1ccc(F)cc1 5727900 IQOCSCWBMBZVRV-FZKQIMNGSA-N 372.415 4.594 0 40 FJAB COc1cccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)c1 6407478 ATLDVGIWBLOLHU-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 7735824 IUMRXWGCAQMZGI-UHFFFAOYSA-N 363.442 4.749 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 7790010 YLABMYGPWBXFQK-LLVKDONJSA-N 355.381 4.833 0 40 FJAB O=C(COc1cccc(Cl)c1)N[C@H](c1ccccc1)c1cccs1 7890731 YXUFITZOJAJPEK-LJQANCHMSA-N 357.862 4.686 0 40 FJAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 7929115 SYYXZRCKAMTGBP-QGZVFWFLSA-N 365.473 4.505 0 40 FJAB O=C(N[C@H]1CCCc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 8039879 SZMGIOIJKBPEKJ-FQEVSTJZSA-N 357.457 4.557 0 40 FJAB COc1cc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc(OC)c1 8427906 CIZOMSSOZWCYII-UHFFFAOYSA-N 350.418 4.628 0 40 FJAB O=C(Cc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1 9523482 AOBLLJQQFXRAJU-UHFFFAOYSA-N 360.482 4.610 0 40 FJAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc(F)c3)cc2)cs1 12562345 CBJINZBRMWDKNW-LBPRGKRZSA-N 355.438 4.697 0 40 FJAB CCOc1ccc(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 12762998 HNSJAPWJYURKIJ-ZDUSSCGKSA-N 371.412 4.765 0 40 FJAB COc1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1 12999893 GZJYHPNOANSMLE-UHFFFAOYSA-N 370.499 4.589 0 40 FJAB Cc1nnc(SCc2cc(-c3cccs3)on2)n1Cc1ccccc1 14201808 RLCUQQYJIVJUKX-UHFFFAOYSA-N 368.487 4.644 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 14268974 GBPJAGIOINSORT-CQSZACIVSA-N 358.869 4.980 0 40 FJAB Cc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14302771 AIDIWMXJUROPIL-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1nc2c(s1)CCCC2 14800393 GPJAIJTXWDENHE-UHFFFAOYSA-N 368.502 4.502 0 40 FJAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 18212619 MGGZNBYDMIZPGZ-HDICACEKSA-N 355.821 4.812 0 40 FJAB Cc1sc2c(C3CCN(C(=O)C4CCCCC4)CC3)nc(C)n2c1C 19561786 UFXPJWQFNVFLTN-UHFFFAOYSA-N 359.539 4.607 0 40 FJAB CCOc1cccc(-c2nc(S)c3c(n2)Oc2c(C)cccc2C3)c1 20380544 PNUPTLORZHCUEA-UHFFFAOYSA-N 350.443 4.836 0 40 FJAB O=c1c2scc(-c3ccccc3)c2ncn1Cc1ccccc1Cl 23126384 OAHUBHNOLQKHPM-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB CCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)cc1 23126574 YXUMQHWSZXQWQA-UHFFFAOYSA-N 362.458 4.765 0 40 FJAB CC(C)c1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1 25054647 NMZRQGGQSUGHSE-UHFFFAOYSA-N 352.419 4.689 0 40 FJAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)N1c2ccccc2C[C@H]1C 25720223 HHGZLQRFJIYXFY-MRVPVSSYSA-N 363.310 4.889 0 40 FJAB CCn1nccc1CN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 28234564 BBZAAFONOZPION-UHFFFAOYSA-N 368.289 4.697 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36620544 HUQYOEXGOZUFDG-IBGZPJMESA-N 363.910 4.989 0 40 FJAB COc1cccc(-c2nnc(S[C@@H]3CCCc4ccccc43)n2C)c1 40127477 HDESOCPNHIAISG-GOSISDBHSA-N 351.475 4.660 0 40 FJAB CC(C)c1nc2ccc(NC(=O)c3ccccc3Br)cc2[nH]1 40282942 YYQOOLMKOCGGFU-UHFFFAOYSA-N 358.239 4.701 0 40 FJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 51356047 OBXSXISQFADPDI-UHFFFAOYSA-N 363.816 4.572 0 40 FJAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)CCC(=O)N2 52360197 HPLJICGFYFFTKW-SECBINFHSA-N 369.774 4.812 0 40 FJAB Cc1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 59294244 IHCMKRIVFQJMIC-UHFFFAOYSA-N 362.267 4.862 0 40 FJAB Cc1ccc(Nc2ccccc2C(=O)NCc2nc3ccccc3n2C)cc1 89635176 OCDNRGBLJNEZFO-UHFFFAOYSA-N 370.456 4.555 0 40 FJAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2ccc(O)c(Cl)c2)SC1 95478714 GWLIEEHOAJPFCY-INIZCTEOSA-N 363.870 4.781 0 40 FJAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]21 101699203 UXMMJWNHLXEBLE-YHBROIRLSA-N 355.437 4.611 0 40 FJAB COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1scnc1-c1ccccc1 102724659 IMUAPECKAHILIV-CVEARBPZSA-N 350.443 4.561 0 40 FJAB Cc1ccccc1Cc1nc(CN2CC[C@@H](C)C[C@H]2c2ccco2)no1 108354363 DJRCRRYHZOIBJS-QAPCUYQASA-N 351.450 4.535 0 40 FJAB O=C(Cc1ccccc1Cl)N1CCS[C@H](c2cccs2)CC1 219497022 HEIDSYZMLROHOZ-INIZCTEOSA-N 351.924 4.651 0 40 FJAB CC(C)c1ccccc1OCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 222810668 QNAIAXLBHSCMHT-SFHVURJKSA-N 353.462 4.607 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(C)c1 223546318 AVZKTUYLRDAFNF-MJGOQNOKSA-N 355.478 4.655 0 40 FJAB CCOc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1Cl 223831668 YDXGWOCBEYRWLO-UHFFFAOYSA-N 361.869 4.671 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1C 224431842 QJIIHRKUFWYGCC-GOSISDBHSA-N 369.505 4.563 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1 225631905 IMUBPZXUFABQPZ-UHFFFAOYSA-N 351.490 4.715 0 40 FJAB C[C@H]1CCC[C@@H](C)N1c1c(Br)cc(N)cc1Br 226316500 QYIJMJWQTKKSOL-DTORHVGOSA-N 362.109 4.561 0 40 FJAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(O)c1 408565854 BNKYCKRKIKGMIT-UHFFFAOYSA-N 364.239 4.586 0 40 FJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408800251 LCZIUMFRXYERNQ-UHFFFAOYSA-N 368.869 4.893 0 40 FJAB COc1ccc2c(c1)CN(C(=O)Nc1ccc(OC3CCCC3)cc1)C2 585090759 FTQLRQHQTNYKTN-UHFFFAOYSA-N 352.434 4.564 0 40 FJAB O=C(NCc1cccc(-c2cccnc2)c1)NC1CCC2(CC1)CC2(F)F 661033156 HPYYFHRPBUMNIV-UHFFFAOYSA-N 371.431 4.516 0 40 FJAB CC(C)(CO)[C@@H](CNCc1cccc(CC2CCC2)c1)c1ccccc1 1650806853 AMQPQBGBOFPZGM-QHCPKHFHSA-N 351.534 4.921 0 40 FJAB O=C(Nc1cccc2ccccc12)c1ccc(I)cc1 787566 KDVLQMYFJWXONC-UHFFFAOYSA-N 373.193 4.697 0 40 FJAB O[C@H](c1ccc(Br)cc1)[C@@H](c1ccccc1)N1CCCCC1 819930 NQEUTDJMHPUYIZ-RTBURBONSA-N 360.295 4.710 0 40 FJAB COc1ccc2c(c1)[C@H](C1C(=O)CC(C)(C)CC1=O)c1ccccc1O2 936848 JFLHMRYQEIJRHB-HXUWFJFHSA-N 350.414 4.507 0 40 FJAB CN(C)CCCSCC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 1540252 FDOYGLCMRDGPPR-UHFFFAOYSA-N 360.350 4.669 0 40 FJAB CCCc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 1903404 LOTFRJCIQXJLKJ-UHFFFAOYSA-N 374.293 4.595 0 40 FJAB Cc1ccccc1CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 2654514 NVSCOFLDQQZRNN-UHFFFAOYSA-N 360.457 4.858 0 40 FJAB O=C(c1cccnc1Cl)N(CCc1ccccc1)CCc1ccccc1 3257587 IOMDICMXYPTSCQ-UHFFFAOYSA-N 364.876 4.663 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)N1CCc2ccccc21 3262005 WAVKUMFQPATFQH-UHFFFAOYSA-N 360.891 4.631 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(Cl)c(Cl)c1 3313917 NLMMVNLSOJLGTK-UHFFFAOYSA-N 353.201 4.562 0 40 FJAB Clc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1 4086683 RGPYPGJCCACWBT-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1 4176294 ABMAAVFKHFHLDP-UHFFFAOYSA-N 355.390 4.593 0 40 FJAB Cc1cccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)c1 4664706 QQGJFJKWMWMYDI-PGMHBOJBSA-N 354.409 4.818 0 40 FJAB O=C(c1ccccc1Cl)N1CCN(c2cc(Cl)ccc2Cl)CC1 4744969 ULJHWPRGBGYISM-UHFFFAOYSA-N 369.679 4.609 0 40 FJAB Cc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)s1 5071195 BFSADHSRYSREEW-QGOAFFKASA-N 373.481 4.790 0 40 FJAB CCCCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 5243673 YTCDCNKMONLQOZ-UHFFFAOYSA-N 358.507 4.896 0 40 FJAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)N(C(C)C)C(C)C)c2n1 5274236 KXFGBLKKQFUBLL-UHFFFAOYSA-N 366.509 4.635 0 40 FJAB Cc1ccc([C@@H](CC(=O)Nc2nccs2)[C@@H]2CCOC(C)(C)C2)cc1 5346049 OKWHBDDJFRHMSN-IAGOWNOFSA-N 358.507 4.769 0 40 FJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)/C=C/c1ccco1 5458200 VFFGZZFTJBUVOW-CMDGGOBGSA-N 374.389 4.567 0 40 FJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Br)o1 6639056 BZAROSMBLHKTBO-UHFFFAOYSA-N 363.038 4.621 0 40 FJAB O=C(NCc1ccccc1)c1oc2ccccc2c1COc1ccccc1 6832411 ACPJHTBUAFJNQC-UHFFFAOYSA-N 357.409 4.942 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 7360606 CVZYTCSBUQIHFT-UHFFFAOYSA-N 361.507 4.962 0 40 FJAB Cc1cc(C)cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 7645047 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CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(Cl)c1)O[C@H](C)C2 12985353 QPZIWTGXMVRTIR-SNVBAGLBSA-N 366.244 4.968 0 40 FJAB Cc1cc(C)c(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1 13677084 XKDSVXKESQCHFG-UHFFFAOYSA-N 358.290 4.861 0 40 FJAB Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccccc2O)cc1 16753147 BGGWHRLJEQNJBO-UHFFFAOYSA-N 357.413 4.576 0 40 FJAB C[C@@H]1CCC[C@H](NCc2cn(Cc3ccccc3)nc2-c2cccnc2)[C@@H]1C 17311118 BQDRHTAKHRGNGD-PWHSHALESA-N 374.532 4.908 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)c(C(F)(F)F)c1 20030315 JBFYFEIGLPREQC-VQHVLOKHSA-N 369.314 4.514 0 40 FJAB CSc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20460242 IBGJZGPNQKCGBP-UHFFFAOYSA-N 354.519 4.893 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)s1)c1ccco1 23757458 UPWHYVGYIVQDDL-HNNXBMFYSA-N 366.442 4.571 0 40 FJAB CN(C)Cc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1 24810607 XHNZZTLTOZMJNN-UHFFFAOYSA-N 372.559 4.869 0 40 FJAB COc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)c1OC 24864452 ZUQUEQFBLODQAF-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)oc2c1 28287619 YUIWAOKYULNQRJ-KRWDZBQOSA-N 368.502 4.678 0 40 FJAB Cc1ccc(NC(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)cc1 28306149 HFNFPSISVGXWOW-UHFFFAOYSA-N 374.803 4.665 0 40 FJAB CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)[C@@H]1CCCc2ccccc21 29257903 SLOKVYJWVXQEEI-QZEKMECESA-N 369.848 4.618 0 40 FJAB CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3cccs3)no2)s1 32103008 SCFLFUQCXDHJRC-UHFFFAOYSA-N 362.480 4.605 0 40 FJAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1ccccc1Cl 32610454 TUKABNRWBZQZTN-UHFFFAOYSA-N 373.815 4.581 0 40 FJAB Cc1nc2ccc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)cc2nc1C 32753944 MFFNRLGCRJMHEW-OAHLLOKOSA-N 359.429 4.826 0 40 FJAB Cc1nc(COc2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1 36107960 GCHRMBIHYMPOBR-CQSZACIVSA-N 352.459 4.522 0 40 FJAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cnc(Cl)c(Cl)c2)c1C 39587476 VGGQONCRFMIAOH-UHFFFAOYSA-N 366.244 4.873 0 40 FJAB c1ccc(-c2csc3nc(-c4cccs4)nc(-n4cnnc4)c23)cc1 39969536 JWQFOISWAGMDMH-UHFFFAOYSA-N 361.455 4.668 0 40 FJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 40104551 PWBJBOCQDLXIRN-UHFFFAOYSA-N 364.392 4.741 0 40 FJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCC[C@H]2CCCC[C@H]21 40130500 YRQXCKIPKKXNRH-CRAIPNDOSA-N 357.425 4.793 0 40 FJAB Cc1nnc(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 48356284 YIDPGEBDOPMDRS-GFCCVEGCSA-N 355.488 4.952 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCSCc1ccccc1 55121750 QYKLCXYKBXOZLT-UHFFFAOYSA-N 365.502 4.751 0 40 FJAB CC(C)(C)[C@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 58281087 YBUDXPNDIXOALY-GOSISDBHSA-N 371.506 4.784 0 40 FJAB CC1(C)Oc2ccc(NC(=O)c3cc(-c4ccccc4Cl)on3)cc2O1 58382105 FUBYGZQRBBYJTP-UHFFFAOYSA-N 370.792 4.755 0 40 FJAB CCCCOc1ccc2oc(C)c(C(=O)Nc3nnc(CCC)s3)c2c1 61997188 PNVWDJMAYFZMOO-UHFFFAOYSA-N 373.478 4.976 0 40 FJAB COc1cc2c(cc1OC)[C@H](CCc1ccc(C(F)(F)F)cc1)NCC2 66345755 YDSAXZXFUOAJSV-KRWDZBQOSA-N 365.395 4.542 0 40 FJAB COc1ccc2c(c1)CN(C(=O)Nc1nccs1)[C@@H](C1CCCCC1)C2 97013829 LGQGVXCZEGOKCW-GOSISDBHSA-N 371.506 4.691 0 40 FJAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCCCC[C@@H]1c1ccncc1 174638651 MPQNPPPCLLWNAI-LJQANCHMSA-N 361.445 4.803 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cc1Br 199830337 FEXVRVOLXIFPNO-CYBMUJFWSA-N 356.260 4.530 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 216448872 DEVVUCXACVWGEC-RDTXWAMCSA-N 361.869 4.774 0 40 FJAB COc1cccc(CCCNC(=O)c2ccccc2CCc2ccccc2)c1 219002429 GWZORVGZLLBUKY-UHFFFAOYSA-N 373.496 4.843 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 219310191 DOBNLNLIGBLOOA-HKUYNNGSSA-N 367.489 4.798 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 225367790 ATWIDADUEUWGHY-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2cccnc12 225890587 CLFOQVKGBKGXIY-AOMKIAJQSA-N 370.493 4.948 0 40 FJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ncccc12 225907724 WWZQWYSUMOUBFM-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccccc1F 226097488 BCWDQKNANSVZPY-UHFFFAOYSA-N 350.231 4.965 0 40 FJAB O=Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 868194 SDQVILBKFKXSGE-UHFFFAOYSA-N 353.377 4.934 0 40 FJAB Cc1cccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1 2228401 DAXIJVVJDXAWFS-UHFFFAOYSA-N 373.528 4.703 0 40 FJAB CC(C)C[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 2271926 PVRGUGDRQFLDMQ-ZFWWWQNUSA-N 360.479 4.522 0 40 FJAB O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cccs1 3195211 OBRVEEGLTWOTNU-UHFFFAOYSA-N 352.387 4.725 0 40 FJAB CSc1nc2ccc(NC(=O)CCOc3ccc(C)cc3)cc2s1 3291045 BJOCJRBUYYJZSI-UHFFFAOYSA-N 358.488 4.734 0 40 FJAB C[C@@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 3401618 UGEMZLZPQSSQAS-ABAIWWIYSA-N 374.695 4.737 0 40 FJAB CC(C)CCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887754 HGHIWXFWEIFLTK-BVSLBCMMSA-N 350.458 4.732 0 40 FJAB CCCCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 5206393 AEILZGULJJUQBT-UHFFFAOYSA-N 358.507 4.896 0 40 FJAB CCc1cccc2c(C(=O)CSc3nnc(C4CC4)n3C3CC3)c[nH]c12 7903164 XMCZQRUTFCBROF-UHFFFAOYSA-N 366.490 4.509 0 40 FJAB Cc1nc(-c2ccc(CCNc3ncnc4sccc34)cc2)cs1 8325513 FXCMCEHUDIVRFO-UHFFFAOYSA-N 352.488 4.778 0 40 FJAB CC[C@@H](C)NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8325913 NDPIKAANTMTUEH-CYBMUJFWSA-N 351.849 4.955 0 40 FJAB COCCN(C(=O)c1ccc2ccccc2c1)c1ccc(C(F)(F)F)cn1 8710628 AOYVHCZWIANRTB-UHFFFAOYSA-N 374.362 4.547 0 40 FJAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1 12533771 GKZBMBCCGGNYCZ-NTUHNPAUSA-N 350.462 4.646 0 40 FJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCC4=CCCCC4)[C@H]3C=C12 12661416 HXYJGBLGTALODR-FEJROSIGSA-N 357.538 4.781 0 40 FJAB biogenic C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCc2ccccc21 12999290 CNSAZCFIQJCYBX-ZBEGNZNMSA-N 350.245 4.564 0 40 FJAB CN(Cc1ccco1)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 13006591 MNXQNSSYJMIYRH-UHFFFAOYSA-N 364.426 4.935 0 40 FJAB CCCCN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 13008725 JLCHEYDAAQOZFE-UHFFFAOYSA-N 373.456 4.781 0 40 FJAB O[C@@H](CNCc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 16477535 UHRUYXHKSMDWLY-NRFANRHFSA-N 367.876 4.742 0 40 FJAB Cc1cccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)c1 20101556 JSIWOIUCHBPSFP-INIZCTEOSA-N 361.420 4.889 0 40 FJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccccc2O)c1 22508160 MIMMSABNCVNTHS-UHFFFAOYSA-N 350.443 4.808 0 40 FJAB COCc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 29280099 HTYLOBXQXWWOCJ-OAQYLSRUSA-N 363.482 4.682 0 40 FJAB CC(=O)N(CCC1(Cc2ccccc2)CCCC1)[C@H]1CCOC(C)(C)C1 32091109 FLBNLMFFQQEWNT-NRFANRHFSA-N 357.538 4.986 0 40 FJAB Cc1cc(C(=O)COc2ccc(F)cc2F)c(C)n1Cc1cccs1 32672225 CCYKJJQHTGTQIT-UHFFFAOYSA-N 361.413 4.755 0 40 FJAB CC[C@@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccccc1 32924786 PJVCRMGZAGWZOU-HXUWFJFHSA-N 364.420 4.823 0 40 FJAB C[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@@H]2CCCC[C@H]12 37501965 FQIVCERLPVIKBJ-AXAPSJFSSA-N 354.263 4.629 0 40 FJAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 38833338 VZGCPNLIKRYNKH-SFHVURJKSA-N 356.897 4.808 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1cccnc1Nc1cccc(F)c1 45015766 PPMNYQHJTHPQQP-UHFFFAOYSA-N 364.405 4.826 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1C1CCCC1 56034617 DABSWBCYJCOIDP-HNNXBMFYSA-N 372.490 4.697 0 40 FJAB CCc1ncc(CN[C@H]2[C@H](c3ccc(Cl)cc3)[C@@H]3CCCC[C@H]32)cn1 57774229 NFUVFUPZSMGRAP-VURPSTOHSA-N 355.913 4.754 0 40 FJAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CCCCC1 72215755 LYMPPUKKRPNPKA-GOSISDBHSA-N 359.514 4.970 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230099 ILLBMIOLWMWBJR-BQYDLMEBSA-N 353.805 4.667 0 40 FJAB CC(C)(C)c1noc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)n1 84325143 FQRZGUGGDVNESN-UHFFFAOYSA-N 356.373 4.555 0 40 FJAB Fc1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)c(Cl)c1 89647201 WDVZUCBHHDBLRD-LLVKDONJSA-N 351.790 4.504 0 40 FJAB CCn1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c(C(C)C)n1 95960943 IBIDQQNBURPMOT-OAHLLOKOSA-N 363.914 4.647 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(Br)cc3F)oc12 97262391 YPXYHVSZIAVTRK-UHFFFAOYSA-N 364.170 4.595 0 40 FJAB CN1C(=O)[C@H](c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)C1=O 102038564 PIMXLQOAUJBSAH-DHIUTWEWSA-N 365.432 4.859 0 40 FJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)cc1 102699512 FFXSMVWJBYTDTL-REWPJTCUSA-N 362.473 4.824 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)c(C)c1 218941004 QRGUGUWEFDGMFT-GOSISDBHSA-N 373.880 4.754 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 225264319 JYSGQHKISAKVKA-ZDUSSCGKSA-N 363.379 4.990 0 40 FJAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1ccccc1 225608539 MNFXLCDSECSMOK-UHFFFAOYSA-N 350.940 4.950 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)cc1 225685185 AIILITRGASDEDE-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB CCCCc1ccc(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)cc1 225757554 YEATWWLOPNGGBL-UHFFFAOYSA-N 362.473 4.600 0 40 FJAB CC1(C)Cc2c(sc3nc(=S)n(C4CCCCC4)c(O)c23)CO1 253496270 TXGDZEFIMBXSKX-UHFFFAOYSA-N 350.509 4.889 0 40 FJAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NCc1cccnc1 408620713 JHUOCBBLJFPPPQ-GQCTYLIASA-N 373.239 4.978 0 40 FJAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)C(C)(C)C)ccc2o1 408624824 CGHRQEXHRXLASW-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB CCc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409053215 MJYQTKJKFXIIEW-AQTBWJFISA-N 371.433 4.503 0 40 FJAB Cc1c(Br)ccc(OCC(=O)c2ccc(Cl)cc2)c1C 1384096 BSFVBAXFJXLZTK-UHFFFAOYSA-N 353.643 4.981 0 40 FJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(Br)c1 1512839 YOOUBFVJXYTTBE-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)c3ccccc23)cc1 2488319 WTBMCJQLLIOWSM-UHFFFAOYSA-N 355.397 4.812 0 40 FJAB CCc1ccc(-c2nc(-c3ccccc3OC)sc2CC(=O)O)cc1 2955995 XIUQHSXLOAMGAZ-UHFFFAOYSA-N 353.443 4.675 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 3345037 BSSGDZONEDRASD-AWEZNQCLSA-N 361.869 4.846 0 40 FJAB aggregator C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)C2CC2)n1 4060643 QHYYLLJHWUNUQT-AWEZNQCLSA-N 350.393 4.879 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)/C=C/c2ccccc2)CSC3)c1 4077315 HTQYMWUJZHWDRS-ZHACJKMWSA-N 361.470 4.579 0 40 FJAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(Cl)cc1Cl 4325766 LNDDKTSLPRLFQV-UHFFFAOYSA-N 367.213 4.584 0 40 FJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccccc1F 4849355 SRQVSDOWDQHSIJ-UHFFFAOYSA-N 370.449 4.676 0 40 FJAB O=C(Oc1cc(=O)oc2ccccc12)c1ccc(OCc2ccccc2)cc1 5024717 UXRQHKXAYFHZRN-UHFFFAOYSA-N 372.376 4.591 0 40 FJAB COCCn1cc(NC(=O)Nc2cccc(Cl)c2C)c2ccccc21 5266542 GTSNDYSNRWMAGP-UHFFFAOYSA-N 357.841 4.894 0 40 FJAB Cc1nc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2s1 5578173 BWYAMBJACBBSQB-UHFFFAOYSA-N 365.483 4.909 0 40 FJAB COc1ccccc1OCC(=O)Nc1ccccc1Sc1ccccc1 5965540 HAVVBZRXSMWULB-UHFFFAOYSA-N 365.454 4.864 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCCC1 6123041 OYDFLMPVGWWHCS-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(Cl)cc1 6320854 BBSUWAXIBNZKKY-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB O=C(Nc1ccc(F)cc1Cl)c1ccc(C(=O)c2ccccc2)cc1 6587725 SNZIXPQNVLEJIA-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(OC)cc1)=N2 6631038 FGJQGUQLZUALQC-UHFFFAOYSA-N 371.440 4.528 0 40 FJAB COc1cccc(CN(C)c2ncnc3sc4c(c23)CCCCC4)c1 6839419 YSTSVBOVXJPQSQ-UHFFFAOYSA-N 353.491 4.605 0 40 FJAB Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCC2)cc1 7383205 COQCEFPCVGCVEO-UHFFFAOYSA-N 359.267 4.610 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 7922122 DDVAKYAXUSHWPN-ZDUSSCGKSA-N 373.909 4.890 0 40 FJAB CCCCN1C(SCc2ccc(C)cc2)=NS(=O)(=O)c2ccccc21 8023977 PUTXZHQUIYPVTB-UHFFFAOYSA-N 374.531 4.593 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2c(OCC)ccc3ccccc23)cc1 8382761 DGBKVSNYBKMXCW-UHFFFAOYSA-N 363.413 4.668 0 40 FJAB COc1ccc(Cc2c(C)[nH]c3ccc(OCCC(C)C)cc3c2=O)cc1 8740351 OYGKEEMEHWXTSF-UHFFFAOYSA-N 365.473 4.861 0 40 FJAB biogenic O=C(N[C@@H]1CCSc2ccccc21)N[C@@H]1CCSc2ccccc21 8941399 YHWNDHACNYTFLO-HZPDHXFCSA-N 356.516 4.760 0 40 FJAB CC[C@@H](Sc1nc(C)nc2ccccc12)C(=O)N[C@@H](C)c1ccccc1 9227603 SRALTXIYHBMTFY-IFXJQAMLSA-N 365.502 4.686 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N[C@H](c1ccc(F)cc1)c1cccs1 9897408 QCEICAXAQRDMQP-OAQYLSRUSA-N 364.445 4.817 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 10275161 FLAOGHJSKFCALM-ORAYPTAESA-N 358.869 4.860 0 40 FJAB C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cn1 10348419 QNRQROZGIHFKFU-LBPRGKRZSA-N 366.408 4.560 0 40 FJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 12599589 OVOYWHQIIPVUSE-MRRJBJDNSA-N 370.848 4.640 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)Cc3cccc4ccccc34)o2)cs1 12619076 AFCZRAKDLRLBHM-UHFFFAOYSA-N 362.454 4.724 0 40 FJAB CCOc1ccccc1NC(=O)c1csc(COc2ccc(C)cc2)n1 12777106 FVHFDAUFKUXSFG-UHFFFAOYSA-N 368.458 4.682 0 40 FJAB CC(C)c1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 12874893 SJKVICHBNHZJIL-KRWDZBQOSA-N 356.491 4.505 0 40 FJAB Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)o2)c1 13114629 MVIJYYVYRSXTKA-BZUAXINKSA-N 373.522 4.624 0 40 FJAB COc1ccc([C@H]2CCCCCN2Cc2nc(-c3ccsc3)no2)cc1 14021413 QVWMTYAPZGTMJR-GOSISDBHSA-N 369.490 4.924 0 40 FJAB CC(C)Nc1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1 15128159 IDGGPTOPHFHOQG-UHFFFAOYSA-N 366.512 4.913 0 40 FJAB Clc1ccc(COc2ccccc2CNC[C@@H]2CCCO2)c(Cl)c1 16449640 GTSGGSPWRRWKPS-KRWDZBQOSA-N 366.288 4.841 0 40 FJAB Cc1cc(C)c(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c(C)c1 20344434 BFERWQJRUJTTMA-UHFFFAOYSA-N 368.408 4.561 0 40 FJAB Cc1ccc(-c2nc3c4c(C)c(C)n(Cc5ccccc5)c4ncn3n2)cc1 21801088 ZCUJPWFNYLCZKR-UHFFFAOYSA-N 367.456 4.720 0 40 FJAB C[C@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)c1nc(C(C)(C)C)no1 24716401 WBMMBIOBFADARG-IIANPFDCSA-N 355.467 4.509 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C)cc2C)cc1OC 25617682 WYZNEYPPMYAOOX-HXUWFJFHSA-N 367.489 4.617 0 40 FJAB CCOc1cccc2cc([C@@H](C)NC(=O)N[C@@H](C)c3ccccc3)oc12 32802162 KKADTLYWVILLIP-LSDHHAIUSA-N 352.434 4.953 0 40 FJAB COc1ccc(NC(=O)CCC2CCCC2)cc1OCc1ccncc1 32832282 IMRSZUMXOVJRJQ-UHFFFAOYSA-N 354.450 4.578 0 40 FJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3cc(C)ccc3n2C)cc1 35316906 QCEBMTMOEFJUSV-NRFANRHFSA-N 362.473 4.863 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccccc2)C1 38935629 KKHILURITHNBKB-QFIPXVFZSA-N 356.469 4.975 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)cc1 46012690 BTGBQSIAIBVWJP-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COc1ccccc1OCc1ccc(C(=O)N(C2CCCCC2)C2CC2)o1 48345838 PADDVVNGRMJNOR-UHFFFAOYSA-N 369.461 4.805 0 40 FJAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccccc2C(F)(F)F)cc1 53896537 DZLSEHQTNAEUDT-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Br)cc1Cl 78674883 JVYQNANUMZXLKU-YGRLFVJLSA-N 360.679 4.636 0 40 FJAB C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Br)cc1Cl 78674887 JVYQNANUMZXLKU-QMTHXVAHSA-N 360.679 4.636 0 40 FJAB C[C@@H](c1ccccn1)N(C(=O)c1ccccc1F)c1ccc(N(C)C)cc1 95468114 LYSZPZRBNYTCKX-INIZCTEOSA-N 363.436 4.695 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(Br)cc3C)oc12 97262586 KDBUOUVYUJFVJU-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB CC[C@H](C)Nc1nc(Nc2ccc(F)c(Cl)c2)ncc1Br 143861725 HWJPHFYUHYHODI-QMMMGPOBSA-N 373.657 4.986 0 40 FJAB Cc1cc(Cl)nc2cc(Cl)c(S(=O)(=O)Nc3ccccc3)cc12 217432904 PEZVIKZTBGYCJH-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB CCCOc1ccccc1CCCNC(=O)c1ccccc1SCC 219648934 FWJFYKSVGZMLRZ-UHFFFAOYSA-N 357.519 4.950 0 40 FJAB CCOc1ccccc1CCCNC(=O)C1(c2ccccc2)CCCC1 223296448 CMBMAGRGXMOUGI-UHFFFAOYSA-N 351.490 4.646 0 40 FJAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COCc1ccccc1 224458813 IXPOFSLXLFFFSX-UHFFFAOYSA-N 361.441 4.973 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)c(C)cc1C)CC(C)(C)O2 225650510 IOVJVBURTNLALT-IBGZPJMESA-N 353.462 4.653 0 40 FJAB CCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 408749430 GTNNIHUAIOZLLS-UHFFFAOYSA-N 372.471 4.749 0 40 FJAB Cc1cc(O)nc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)ccc12 561846657 CYLAUBLKLIUSNK-VWPQPMDRSA-N 372.468 4.657 0 40 FJAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cncc3ccccc23)cc1 614893944 UFDMWLICIQZWOJ-QGZVFWFLSA-N 362.473 4.773 0 40 FJAB Cn1ncc(Nc2nc(-c3ccccc3)nc3ccccc23)c1C(F)F 1116392735 XIHKKEVWUDQDNN-UHFFFAOYSA-N 351.360 4.712 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccc(F)c2)N1c1ccc(F)cc1 1615156664 JVBMKWXHNOXHOK-PMACEKPBSA-N 370.443 4.627 0 40 FJAB O=c1c2c(nc(SCC3CCCCC3)n1Cc1ccccc1)CCCC2 1888963700 NFBAQJIRCHYYMM-UHFFFAOYSA-N 368.546 4.843 0 40 FJAB O=C(Oc1ccc(Br)cc1)c1cc(Cl)nc2ccccc12 991894 KPJTYCHMCZHERH-UHFFFAOYSA-N 362.610 4.870 0 40 FJAB O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCc2ccccc21 1018039 GNFOOOPXFHGTDC-UHFFFAOYSA-N 369.873 4.966 0 40 FJAB CC1(C)[C@]2(C(=O)Nc3ccc(SC(F)F)cc3)CC[C@@]1(C)C(=O)C2 1064157 CNBGURNJHFODHY-ZWKOTPCHSA-N 353.434 4.725 0 40 FJAB CC(C)(C)c1nc(SCC(=O)Nc2cccc(F)c2)c2ccccc2n1 1342498 HQKRQSFOJPLVLI-UHFFFAOYSA-N 369.465 4.797 0 40 FJAB CC(C)CC[C@@]1(CCN2C(=O)c3ccccc3C2=O)CCOC(C)(C)C1 2109282 OVYLWDWWNUZWFP-JOCHJYFZSA-N 357.494 4.684 0 40 FJAB biogenic Cc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12 4070187 YVDOWMNSRFQKAK-UHFFFAOYSA-N 353.266 4.681 0 40 FJAB CCCCC(=O)N(c1nnc(-c2ccc(OC)cc2)s1)C1CCCC1 4982586 PKQSIFOSRJUPNH-UHFFFAOYSA-N 359.495 4.680 0 40 FJAB CCOC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 5106898 MLUNALAIVXHOGW-UHFFFAOYSA-N 358.781 4.907 0 40 FJAB Cc1ccc(C)c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 5146696 OZJZIDWIHPTIAI-UHFFFAOYSA-N 361.470 4.861 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 5177240 GMPHMTFERVOCRI-UHFFFAOYSA-N 357.793 4.870 0 40 FJAB Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccccc1Cl 6369836 ZYQBDOBEKHJFTF-UHFFFAOYSA-N 373.909 4.515 0 40 FJAB CN(C(=O)CCc1ccccc1)[C@]1(c2ccccc2Cl)CCCCC1=O 6509041 SFVYCGOVLXVVSV-QFIPXVFZSA-N 369.892 4.770 0 40 FJAB Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 6965551 WNBSLXNZPWUWSI-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB CCC(NC(=O)Nc1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F 8974957 DEAIHBAFTKDRMS-UHFFFAOYSA-N 371.306 4.691 0 40 FJAB biogenic CSc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063403 IWEMHWNISMWZOE-UHFFFAOYSA-N 374.937 4.913 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1Cl 9980136 KEDMDPXFWHNSGH-IUHZURBISA-N 358.825 4.667 0 40 FJAB COc1ccc2cc(CNC(=O)N(C)Cc3ccc(Cl)cc3)ccc2c1 10495024 WYAPQDFPZUFEMS-UHFFFAOYSA-N 368.864 4.843 0 40 FJAB COc1ccccc1CNc1ncc(-c2ccncc2)c(-c2cccs2)n1 12222703 JYFJGHJWVVZFDV-UHFFFAOYSA-N 374.469 4.888 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 12632776 MXEWFJCJZNSAPB-DEOSSOPVSA-N 374.484 4.798 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)cccc2C)cc1 12987344 NIYSMEOVXITJQH-NRFANRHFSA-N 366.505 4.868 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(Br)cc3)o2)cc1 15461890 ZVTZFFYVSVVBMG-GFCCVEGCSA-N 358.239 4.981 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)O)c(Cl)c1 20145275 ZXVPIRFCGFHZTN-DHZHZOJOSA-N 367.788 4.950 0 40 FJAB O=C(NCCOc1cccc2cccnc12)c1ccccc1-c1ccccc1 20436256 GVSPLQZEGRJAPP-UHFFFAOYSA-N 368.436 4.711 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSC1CCCCC1 20454884 RXAQUQGMPCMXHV-MRXNPFEDSA-N 355.931 4.680 0 40 FJAB CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(C)cc1 20488600 YMZPOVPORNRKFZ-KRWDZBQOSA-N 372.317 4.873 0 40 FJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cc(Cl)ccn2)n1 22571254 MXFBUNUFEUXEJG-UHFFFAOYSA-N 368.849 4.901 0 40 FJAB Cc1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 26020253 YRFYBALHUVUIIM-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB COc1cc(OC)c(N[C@H](C)c2nnc(-c3cccs3)o2)cc1Cl 32806145 GNLBCNPCPYSNKG-SECBINFHSA-N 365.842 4.642 0 40 FJAB Cc1csc(SCCCC(=O)c2ccc(Br)cc2)n1 35184886 KUWTUDHFYRXHKD-UHFFFAOYSA-N 356.310 4.969 0 40 FJAB CCCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 41302972 ZRCAAHYLCWWLSM-UHFFFAOYSA-N 363.910 4.792 0 40 FJAB O=C(Nc1ccc(OCc2ccccc2F)cc1)c1ccc[nH]c1=S 49992905 DCSMXAOVVDDQMX-UHFFFAOYSA-N 354.406 4.715 0 40 FJAB O=[S@](CCCOc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl 58130915 VNWHSSJTRSSSAV-QFIPXVFZSA-N 361.265 4.850 0 40 FJAB CCn1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)cn1 58298059 RKOAQZKAZMPDIN-HNNXBMFYSA-N 368.403 4.831 0 40 FJAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 71761637 FFEINFKQUTWREN-UHFFFAOYSA-N 352.381 4.883 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229498 SRHXLIAOODAQKB-UHFFFAOYSA-N 353.249 4.717 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-n2cccn2)cc1 96318806 GDNBPSRUOOBGHD-UHFFFAOYSA-N 355.397 4.917 0 40 FJAB CC1(C)C[C@@H](NC(=O)COc2ccc3ccccc3c2)c2ccccc2O1 222835802 QFHMSORHTIITIT-HXUWFJFHSA-N 361.441 4.637 0 40 FJAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccccn1 223994789 YTYQWQAFOCYKHZ-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224885305 JUELGGRRLGDDBP-CYBMUJFWSA-N 353.340 4.608 0 40 FJAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1OCC 225059590 AQZGEEJTCZOQSG-UHFFFAOYSA-N 368.260 4.721 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 225717774 XEKUOCHQSGODQR-QGZVFWFLSA-N 358.507 4.758 0 40 FJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCc1ccccc1 899206 VFHJPVSLZPBBDI-UHFFFAOYSA-N 352.507 4.819 0 40 FJAB c1c2c(cc3c1OCN(C1CCCCC1)C3)OCN(C1CCCCC1)C2 1594598 HYJMDHCAGLTSMJ-UHFFFAOYSA-N 356.510 4.656 0 40 FJAB CCCOc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 1816655 FFWCCKUNJDPIMI-QFIPXVFZSA-N 351.490 4.928 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)c1C 3008316 YCLPADGFCQJZOX-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccccc1)c1ccccc1 3176902 LXYHPQQUHZHMTJ-KRWDZBQOSA-N 362.366 4.773 0 40 FJAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3372010 PBLRGSAIQDNYAR-JTQLQIEISA-N 371.742 4.543 0 40 FJAB COc1cc(OC)cc(C(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c1 3434703 KBPZMHOZVWHWGG-CYBMUJFWSA-N 373.518 4.730 0 40 FJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@@H](c3ccc(F)cc3)CN12 4084828 RZECRGIQWCIZHU-XXBNENTESA-N 368.411 4.998 0 40 FJAB biogenic O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1cccs1 4672437 QGFRSBYFQIYVTE-UHFFFAOYSA-N 364.470 4.509 0 40 FJAB Cc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)[C@H](C)S3)cc1 6234056 ROWANUVTKUFXQF-LBPRGKRZSA-N 354.866 4.654 0 40 FJAB CCOc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 7223065 VXOPYNQDGVAIAQ-LLVKDONJSA-N 353.249 4.831 0 40 FJAB Cc1ccc2nc(CSCc3c(Cl)cccc3Cl)cc(=O)n2c1 7777713 JMVXEDZYJNHDCP-UHFFFAOYSA-N 365.285 4.743 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8186501 IRRPGAPEHZUQBV-FQEVSTJZSA-N 359.425 4.588 0 40 FJAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCCC2)cc1 8734627 RQYUURJTGANPKM-UHFFFAOYSA-N 366.436 4.538 0 40 FJAB Cc1nnc(S[C@H](C)c2nnc(-c3cccs3)o2)n1-c1ccccc1 9368942 GIWYWOAMEIZHHP-LLVKDONJSA-N 369.475 4.541 0 40 FJAB C[C@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1ccc(F)cc1 9549222 QYWCHDZNDSTCLP-INIZCTEOSA-N 364.420 4.826 0 40 FJAB O=C1C[C@@H](c2cccc(OCc3ccccc3F)c2)c2sccc2N1 12375567 JEAYEZNQROLPFF-INIZCTEOSA-N 353.418 4.940 0 40 FJAB COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)ccc1C 12798613 GSLBWAMUYBGXSE-UHFFFAOYSA-N 357.500 4.969 0 40 FJAB Cc1occc1-c1nnc(SCc2nc(-c3ccccc3)oc2C)o1 12841814 SXMXIGMDDUJJNU-UHFFFAOYSA-N 353.403 4.894 0 40 FJAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)CC1 13071539 RLTOTFQUIKXTSO-UHFFFAOYSA-N 357.310 4.604 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1Cl 14001939 DUGAOLRHNKDCMX-UHFFFAOYSA-N 373.692 4.703 0 40 FJAB ClC1(Cl)C[C@H]1CSc1nnc(NCCc2cccs2)s1 14703859 NVEYXRHVKDSHDU-QMMMGPOBSA-N 366.364 4.540 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1 20041177 BUIQPAAJEBQUHP-FQEVSTJZSA-N 369.461 4.585 0 40 FJAB O=C1CCCc2c1c(Nc1ccc(Cl)cc1)nn2-c1ccc(F)cc1 20672113 ZUFAYYSZNAOCKC-UHFFFAOYSA-N 355.800 4.927 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCc2ccccn2)cc1 23909036 SKRFEDNZXCVUHZ-UHFFFAOYSA-N 368.484 4.575 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27992696 PIBKTHMQSBEKRB-UHFFFAOYSA-N 354.381 4.768 0 40 FJAB COc1cccc(/C=C/C(=O)OCc2cc3ccc(C)cc3nc2Cl)c1 32859680 JDPHOGWFZDLAKD-VQHVLOKHSA-N 367.832 4.962 0 40 FJAB COc1ccccc1Nc1c(-c2ccc(SC)cc2)nc2cnccn12 35622647 YABNHXQUVJLNOQ-UHFFFAOYSA-N 362.458 4.870 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(Cl)cc1 216493234 INQOWLRNPWIFBN-KRWDZBQOSA-N 366.288 4.900 0 40 FJAB O=C(COc1cccc2ccccc12)NCCCc1ccccc1Cl 218911421 KRMFTZIVWOKDNK-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 219545513 GCZFFDYXYBIEKN-LJQANCHMSA-N 369.505 4.607 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 222838363 XUVAWIUMQQHZEE-MOPGFXCFSA-N 355.478 4.737 0 40 FJAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)c(Cl)c4)cn1c23 223095051 FFLCHPZLBPWUFS-SNVBAGLBSA-N 373.239 4.678 0 40 FJAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 223738418 DULFKVVXJJADCU-UHFFFAOYSA-N 367.514 4.958 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 224443037 JDVITRFZBOUNBP-QGZVFWFLSA-N 352.261 4.510 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cc(C)ccc1C)CC(C)(C)O2 225680831 WNYKNZDJEWATOO-GOSISDBHSA-N 370.518 4.901 0 40 FJAB CO[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 253473775 YJPPZVKLBDIGQN-QGZVFWFLSA-N 364.228 4.857 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccccc3C)sc1CC2 409051018 GUIGXNGKBIPWLF-UHFFFAOYSA-N 364.470 4.786 0 40 FJAB COCc1ccccc1/C=C(\C)CNc1ccc2c(c1)CCCC(=O)N2 512169573 YFTFCHJDBQSIIE-FOWTUZBSSA-N 350.462 4.623 0 40 FJAB Cc1ccc(C)c(-n2ncc([C@@H](C)NCc3cn4c(C)cccc4n3)c2C)c1 539084060 DAGOKVYNCAOCAK-GOSISDBHSA-N 373.504 4.604 0 40 FJAB O=C(NCCn1ccc2cc(Cl)ccc21)c1cccc(-n2cccc2)c1 1539799319 GXGRVPJLGBBJPV-UHFFFAOYSA-N 363.848 4.515 0 40 FJAB O=C(Nc1ccc(-c2nc3ccncc3[nH]2)cc1)c1csc(Cl)c1 1586224496 OGGXWQCMABFIBM-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 836913 JPWRMGQTHYUUHW-UHFFFAOYSA-N 374.845 4.974 0 40 FJAB Cc1ccc(-c2nc3scnn3c2NC(=O)c2ccc(Cl)cc2)cc1 936617 XKTVUVWFJMGFSX-UHFFFAOYSA-N 368.849 4.672 0 40 FJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)[nH]1 1355706 UUHRDBUSGYEVIR-IUODEOHRSA-N 363.914 4.517 0 40 FJAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(F)cc2F)cc1 2616462 XSZCVRIYHCTQMH-UHFFFAOYSA-N 358.413 4.886 0 40 FJAB COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2ccccc2)c1 3120597 YNZXZSPSRYLTNW-GOTSBHOMSA-N 360.409 4.597 0 40 FJAB O=C(CSc1ccccc1F)Nc1nc(-c2cccs2)cs1 3354574 OROYFKSNLNQWIT-UHFFFAOYSA-N 350.465 4.742 0 40 FJAB CSc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 5127540 GATIEQKDVHGQAW-JLHYYAGUSA-N 354.862 4.716 0 40 FJAB CC1=C[C@H]([C@H](O)C(C)C)[C@@](C)(Cc2ccc(C)cn2)N[C@H]1c1ccccc1 5389723 LLQAHZZCUBNWMJ-MOUTVQLLSA-N 364.533 4.615 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)N(C)c2ccccc2)c2c(C)c(C)sc2n1 5428992 IAKLFHPPRINLQJ-ZDUSSCGKSA-N 371.531 4.760 0 40 FJAB C[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677594 LKHBFHADFVPHLH-GMCXQERESA-N 367.228 4.591 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ncnc2sccc12 6115591 BIKMKDXWNYKKIN-NSHDSACASA-N 353.472 4.845 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2nc3ccc(Br)cc3s2)c1 6472455 ORNKJEVJXMDXQD-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB COC(=O)c1ccc(COc2c(Cl)cc(Cl)c3ccc(C)nc23)o1 6507670 BKOPTHVMELUBFD-UHFFFAOYSA-N 366.200 4.809 0 40 FJAB O=C(CCCSc1ccccc1)Nc1nc(-c2cccnc2)cs1 6831034 DKNWXXHHQMRAQY-UHFFFAOYSA-N 355.488 4.716 0 40 FJAB O=C(Nc1ccccc1F)c1cc(-c2cccs2)nn1-c1ccccc1 6946486 NJFLCGBTMOZWQW-UHFFFAOYSA-N 363.417 4.992 0 40 FJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1 7883989 VZGJRLNXQSITFL-QFIPXVFZSA-N 358.441 4.770 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(c1ccccc1)c1n[nH]c(=S)s1 8415265 ARSSXBOYYBGATB-UHFFFAOYSA-N 370.503 4.594 0 40 FJAB CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@H]1c1ccc(Cl)cc1 9355709 GSDJLBFGZVXRGA-KRWDZBQOSA-N 354.841 4.579 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc(C)c(F)c2)nc1-c1ccccc1 9515294 BXYZNNBIMXADGX-UHFFFAOYSA-N 354.406 4.713 0 40 FJAB Cc1ccc(CCC(=O)NCCSCc2c(F)cccc2Cl)cc1 10434095 BIGLXGMRAPPZRD-UHFFFAOYSA-N 365.901 4.770 0 40 FJAB CCCCSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12408432 MSTOZJWQDIUBSM-UHFFFAOYSA-N 373.913 4.512 0 40 FJAB Cc1occc1-c1nnc(SCc2ncc(-c3ccc(F)cc3)o2)o1 12622703 UNQIBXWTXPRNEX-UHFFFAOYSA-N 357.366 4.724 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(-c2ccccc2)cc1 13674032 MHPNFTJMVGDIIC-JOCHJYFZSA-N 350.506 4.738 0 40 FJAB CC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 13955232 ZQTRJNWKJNODEL-UHFFFAOYSA-N 372.380 4.672 0 40 FJAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 14219390 GVWJBJAAIKTVNO-GFCCVEGCSA-N 358.290 4.650 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)/C=C/c3ccc(F)cc3)cc2)cs1 14673392 WPSXLTNODDNSTO-IZZDOVSWSA-N 366.461 4.630 0 40 FJAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)oc2c1 15860467 JCOISPIYCJYNJQ-GOSISDBHSA-N 366.461 4.518 0 40 FJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)c(Cl)c1 20138707 VFMAVZAKWKKWGM-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 20488330 RWPPNGNUVRESAN-QGZVFWFLSA-N 369.461 4.503 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cc(F)ccc3F)c12 22240176 NVZSHPUSGKCERM-UHFFFAOYSA-N 371.368 4.790 0 40 FJAB O=C(CSCc1ccc(Cl)s1)NC12CC3CC(CC(C3)C1)C2 23118106 LJTWNFOPJKTEBW-UHFFFAOYSA-N 355.956 4.720 0 40 FJAB Cc1nn(C)c(=O)c(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 24975667 RBFINYBRJSNEHT-UHFFFAOYSA-N 373.481 4.855 0 40 FJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cnc2ccccc2c1 32914423 XHVFVOCJZPIATQ-UHFFFAOYSA-N 359.454 4.843 0 40 FJAB Cc1nc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)sc1C 36063011 CRLVHGQTOAKVPX-UHFFFAOYSA-N 365.817 4.768 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1Cl 39631973 QWMLFAOUXUWWEG-QGZVFWFLSA-N 352.261 4.776 0 40 FJAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CC=C(c2ccc(O)cc2)CC1 42857891 GLSQAAOXXDZQME-AWEZNQCLSA-N 369.415 4.987 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OCC 44902195 ONJLXGKTBOUYCV-SFHVURJKSA-N 369.505 4.911 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc4c3CCCC4)n[nH]2)cc1 51315404 RDVXXRYCFJHGRC-UHFFFAOYSA-N 361.445 4.607 0 40 FJAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21 59369978 WELKZOGJWUTYHD-LJQANCHMSA-N 370.496 4.734 0 40 FJAB Cc1nccc(C(=O)N(Cc2ccc(-c3ccccc3F)s2)C(C)C)n1 84290686 SJDUYCWMLMXGRZ-UHFFFAOYSA-N 369.465 4.703 0 40 FJAB Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cnc(Cl)s2)c1 89768427 TYCNJOLHYOWCCW-NSHDSACASA-N 359.278 4.620 0 40 FJAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 103047048 XZOWONVNGBYESD-OLMNPRSZSA-N 352.405 4.788 0 40 FJAB C[C@@H]1CCC(=O)N[C@@H]2C(=O)[C@@]3(C)[C@@H](CC[C@H]13)[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@@H]21 118939789 DVKKOXLBDFKRNO-NJSSKWCMSA-N 371.565 4.739 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220036 BVAQTBXTHYENAF-HTAPYJJXSA-N 351.490 4.827 0 40 FJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223369855 DTFMBMRNLRRNLZ-ROUUACIJSA-N 365.527 4.624 0 40 FJAB CCc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 223391531 DSTOOZCNSOJVKG-AWEZNQCLSA-N 363.910 4.578 0 40 FJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(OC(C)C)cc1 225704906 ZPMVYIKKSRVVIF-HXUWFJFHSA-N 370.518 4.846 0 40 FJAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 225782938 CRNRBCFPPFMSHS-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Cc1cccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)c1 408531624 KYCZTKSVUXAXLO-UHFFFAOYSA-N 356.425 4.549 0 40 FJAB CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1 408997276 DMVNGNNAJGBRGF-UHFFFAOYSA-N 374.440 4.561 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c(OC)c1 671904 WEZKZIKRVUZCKT-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1268126 CTJVVZJBYROFBM-DHZHZOJOSA-N 360.379 4.958 0 40 FJAB CC(C)CC[C@@]1(CCN2C(=O)c3ccccc3C2=O)CCO[C@@H](C(C)C)C1 2110958 NEILMZQSPHYQKI-NFBKMPQASA-N 371.521 4.930 0 40 FJAB biogenic Fc1cccc(Cl)c1CSc1ncnc2c1cnn2-c1ccccc1 2453847 MGRSOMZLJZWUFE-UHFFFAOYSA-N 370.840 4.900 0 40 FJAB O=C(COC(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl 3317329 CQMISWCRVCNZEH-UHFFFAOYSA-N 364.637 4.504 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nncs2)c2ccccc2)c1 3389351 QYWVWEGXIHMVOW-MRXNPFEDSA-N 355.488 4.627 0 40 FJAB CCCCOc1c(Cl)cc(C(=O)Nc2nccs2)cc1OCC 3549634 XZVWWUJBKFCSHS-UHFFFAOYSA-N 354.859 4.626 0 40 FJAB O=C(c1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 4040085 DXXMIUYLXMDARA-YWZLYKJASA-N 365.816 4.631 0 40 FJAB CCCCC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 4122837 PHNFQVSSSLYXDZ-UHFFFAOYSA-N 369.515 4.967 0 40 FJAB O=C(Nc1nc2c(Br)cccc2s1)c1ccccc1Cl 4348292 LVWLUNCRMVDBKQ-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 4599682 ZUXFORSUMITWJO-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB COc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1OC 4690405 UWIBCCJIWFUNBA-UHFFFAOYSA-N 361.485 4.949 0 40 FJAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1nccs1 4849485 ZVEZXCJCOSTDNR-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB COc1ccc([C@]2(C)c3ccccc3C(=O)C(C)(C)[C@]2(C)CC(=O)O)cc1 5064444 DSSXQPRTMCFSOF-XZOQPEGZSA-N 366.457 4.705 0 40 FJAB N#Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3c3ccc([N+](=O)[O-])cc23)cc1 5161827 WRHKNGWNXMCJDM-UHFFFAOYSA-N 370.324 4.743 0 40 FJAB CCCC[C@H](C(=O)O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 5793071 QMMUHEHXJPWIQI-KRWDZBQOSA-N 369.852 4.946 0 40 FJAB CCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(CC)cc3)n2)cc1 6124160 MEZQIAIRAWGGSU-UHFFFAOYSA-N 373.456 4.711 0 40 FJAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 6630684 MZLBEYMSCNSBEV-UHFFFAOYSA-N 368.380 4.691 0 40 FJAB CCc1ccc2c(CC(=O)Nc3nc(-c4cccnc4)cs3)coc2c1 6822519 HSWUDKRPFZRULL-UHFFFAOYSA-N 363.442 4.695 0 40 FJAB O=C(CSc1nnc(Nc2ccccc2F)s1)c1ccc(F)cc1 6884640 ZBIKYHDLGGULDW-UHFFFAOYSA-N 363.414 4.535 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(C)C 7360991 DEVVBMUYFSBPSE-UHFFFAOYSA-N 373.396 4.638 0 40 FJAB COc1ccc(CC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 7614575 AOEDEGOQRDXYBY-UHFFFAOYSA-N 364.426 4.746 0 40 FJAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](c3cccs3)C(C)C)o2)cc1 8013343 ZAANSXMVECZVKX-LJQANCHMSA-N 369.490 4.553 0 40 FJAB Cc1ccc(-c2nc(CSc3nnc(NC4CC4)s3)cs2)cc1 8073899 VPQCZKOHICNDIY-UHFFFAOYSA-N 360.533 4.837 0 40 FJAB Fc1ccc(CNc2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 8156723 VTYMVKXTSLPZKM-UHFFFAOYSA-N 356.422 4.723 0 40 FJAB Cc1ccc(C)c(OCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8393848 VGSBIEFMIJJIJH-HNNXBMFYSA-N 354.475 4.512 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1 8429611 ISFNTFLHAIGLOF-UHFFFAOYSA-N 356.230 4.666 0 40 FJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)cc1 9462411 PCQDLIOICGSBGT-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9996083 BAZPXQYSUWGAPL-GOSISDBHSA-N 366.486 4.601 0 40 FJAB Cc1cc(C)nc(SCC(=O)n2c3c(c4ccccc42)C[C@H](C)CC3)n1 10381919 MKRFPDHVGDZHII-CYBMUJFWSA-N 365.502 4.605 0 40 FJAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccccc1OCC 12082621 WPFLDEWYOIJMRY-UHFFFAOYSA-N 354.381 4.693 0 40 FJAB CCn1c(C)cc2cc(NC(=O)c3c(-c4ccncc4)noc3C)ccc21 12148358 VHCVZHIZZIRIDK-UHFFFAOYSA-N 360.417 4.580 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 12859168 WXEBRTHRUFTUEQ-UHFFFAOYSA-N 370.880 4.844 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 14910145 AQHPZVMXECQNJK-UHFFFAOYSA-N 369.852 4.677 0 40 FJAB CCCOc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15017362 PNZVITPVKCYSEN-KRWDZBQOSA-N 374.278 4.541 0 40 FJAB C[C@@H](Sc1ccccc1Br)C(=O)Nc1ccccc1F 16549066 BXWQXQCOUOGQFM-SNVBAGLBSA-N 354.244 4.708 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCc3ccccc32)cc1 20043007 PAEMVQJCQKMYRH-GOSISDBHSA-N 368.480 4.841 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1Br 22534765 UGIBGIRDYPWUPD-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1 27580060 FAEVQGDIPCPKMA-UHFFFAOYSA-N 356.809 4.954 0 40 FJAB CCOc1ccc(C(=O)CSc2noc(-c3ccc(Cl)cc3)n2)cc1 28527174 WXVYRSOAPUQJNW-UHFFFAOYSA-N 374.849 4.764 0 40 FJAB O=C(NC1CCCCC1)c1ccccc1SCc1cn2ccccc2n1 28993677 PSAQFAJKEGBDSJ-UHFFFAOYSA-N 365.502 4.689 0 40 FJAB O=C(NCc1ccco1)c1ccccc1CSc1nc2ccccc2o1 29460152 GOTWVBDSNLUCDM-UHFFFAOYSA-N 364.426 4.643 0 40 FJAB C[C@@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1cccc2ccccc12 29488289 KTLOUFPCYIBSBC-UZUQRXQVSA-N 358.485 4.636 0 40 FJAB COc1ccc2nc(NC(=O)CCC(=O)c3cc(C)sc3C)sc2c1 32789071 LLPVKARSTOXFIV-UHFFFAOYSA-N 374.487 4.585 0 40 FJAB CCc1sc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1C 32892900 GHJYZZPKTITVKU-CQSZACIVSA-N 353.491 4.515 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cncn1-c1ccccc1 40007609 WBWYZMLCNRFSSQ-UHFFFAOYSA-N 354.413 4.868 0 40 FJAB O=C(Nc1ccccc1SCC(F)(F)F)c1cc(-c2ccco2)on1 40040591 CIOPBYUGEZZNLQ-UHFFFAOYSA-N 368.336 4.841 0 40 FJAB CSc1nnc(S[C@H](C)c2nc3ccccc3n2C(F)F)s1 46552453 FABWMMLFAYVUPZ-SSDOTTSWSA-N 358.464 4.858 0 40 FJAB CCCc1n[nH]c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 48356581 LIMBWOZJGLNFDG-CQSZACIVSA-N 366.490 4.863 0 40 FJAB O=C(c1cc(-c2cccs2)[nH]n1)N(Cc1ccccc1)Cc1ccccc1 57413404 ZRESICQHNKTMFK-UHFFFAOYSA-N 373.481 4.981 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1 72427661 WLCKKXLHDCKRBQ-SNVBAGLBSA-N 366.364 4.913 0 40 FJAB O=C(Nc1cccc(Cl)c1F)N1CCSC[C@H]1c1cccs1 95403780 XKHXXTZQFXIPCS-LBPRGKRZSA-N 356.875 4.863 0 40 FJAB C[C@@H]1CCN(C(=O)c2c(C(F)(F)F)ccnc2Cl)c2ccccc21 95941718 DQGNQVCEZOYDID-SNVBAGLBSA-N 354.759 4.908 0 40 FJAB CCN(C(=O)c1csc(C)n1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 95958963 ZZWJDGFXLBRMEL-SFHVURJKSA-N 371.893 4.752 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2)C[C@@H](c2cccs2)C1 102745948 DTHBEMAZLKBDEV-PXAZEXFGSA-N 364.430 4.760 0 40 FJAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc3ccccc13)[C@@H]1C[C@@H](c3ccccc3)[C@H]2C1 167233564 OGHYAEQLPCICKY-KVCDMWGSSA-N 367.448 4.769 0 40 FJAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc(Cl)s1 207964721 NRDYSJHBKBJUQM-CQSZACIVSA-N 369.920 4.536 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 219591532 MSEJJKDDRZOKEH-QFIPXVFZSA-N 369.505 4.689 0 40 FJAB Cc1ccc(CNC(=S)Nc2ccc(Nc3ccc(C)cc3)nc2)cc1 223945260 QNYUZOAWFRNJMI-UHFFFAOYSA-N 362.502 4.929 0 40 FJAB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(OC)c(C)c1 225103708 QYOVWFCCGYLJKE-MRXNPFEDSA-N 362.267 4.647 0 40 FJAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c2cccnc12 225894594 BUROHPRLXGEMKA-NRFANRHFSA-N 358.482 4.803 0 40 FJAB O=C(c1cccc2ccccc12)N1CCC(Oc2ccncc2Cl)CC1 390825875 LORTWGMNFKAQRY-UHFFFAOYSA-N 366.848 4.572 0 40 FJAB Fc1ccc(COc2ccc(C(=S)NCc3ccccc3)cc2)cc1 408577519 SXKRYHLZMOIVJY-UHFFFAOYSA-N 351.446 4.870 0 40 FJAB CCOc1ccccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408595834 PBGLGIKBWMACEA-UHFFFAOYSA-N 369.273 4.519 0 40 FJAB COc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 408629262 SVLPIZMJKBBORP-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 650066831 QKEMFABXHCKUJU-ZIAGYGMSSA-N 372.456 4.694 0 40 FJAB COc1ccc(CCC(=O)NCCc2ccc(-c3cccs3)s2)cc1 1889278282 GHBROSJYUNWJGC-UHFFFAOYSA-N 371.527 4.777 0 40 FJAB C[C@@H](NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccccc1 682886 KGFBGESYIVHLMU-QZTJIDSGSA-N 357.453 4.899 0 40 FJAB COc1ccccc1NC(=O)CSc1cc(C)c2ccc(C)c(C)c2n1 923669 PTWRJLVPIJKHLZ-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB O=C(CSc1nc(C2CC2)nc2ccccc12)c1c[nH]c2ccccc12 1332581 DIBZETWLABOYBO-UHFFFAOYSA-N 359.454 4.964 0 40 FJAB COc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1OC 1447789 DORJOJXXVOUQSK-UHFFFAOYSA-N 362.404 4.908 0 40 FJAB Cc1cc(C)cc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)c1 2294117 CLMMWNRCFYUWBF-NRFANRHFSA-N 354.409 4.623 0 40 FJAB COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 3442773 QHOIIZHROWHHLV-UHFFFAOYSA-N 365.414 4.693 0 40 FJAB Cc1cc2oc(=O)cc(COc3ncnc4sccc34)c2cc1C(C)C 3518193 CPWFTQMUYPMVTL-UHFFFAOYSA-N 366.442 4.809 0 40 FJAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1cccs1 4267227 XOIKZWUBYDVLSZ-UHFFFAOYSA-N 362.410 4.999 0 40 FJAB CC(C)c1ccc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2c1 4348480 QRZXCDKALCOTAJ-UHFFFAOYSA-N 364.426 4.778 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 4679436 AQPXGEZMXSERLU-UHFFFAOYSA-N 357.251 4.892 0 40 FJAB COc1ccc(-c2nnc(/C=C/c3cccs3)o2)cc1Br 4699652 BPDQNLCWJCUCOA-FNORWQNLSA-N 363.236 4.740 0 40 FJAB O=C(C[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 4893663 XBWALHTXUWZMLW-IBGZPJMESA-N 374.845 4.721 0 40 FJAB Cc1ccc([C@@H](CC(=O)Nc2nccs2)[C@H]2CCOC(C)(C)C2)cc1 5346051 OKWHBDDJFRHMSN-DLBZAZTESA-N 358.507 4.769 0 40 FJAB Cc1ccc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)cc1 5866602 DBXLEQZAHLWDLY-UHFFFAOYSA-N 354.460 4.789 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)c1C 6747652 UEGIGMDVMIUFOL-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB COc1cc(CNCc2ccco2)cc(Cl)c1OCc1cccs1 7540013 JIWCNDCIHPPSJZ-UHFFFAOYSA-N 363.866 4.872 0 40 FJAB O=C(NCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 7699820 TZBVCHNPZVRXRM-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC 7944008 RIRSVKCARZZSRN-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 9062837 VGPVFIBMHGURFM-UHFFFAOYSA-N 350.506 4.880 0 40 FJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1nc2ccccc2s1 9533230 HCRQPYROTKRWCW-GOSISDBHSA-N 359.454 4.822 0 40 FJAB C[C@H]1c2ccsc2CCN1Cn1nc(/C=C/c2ccccc2)[nH]c1=S 12819798 SYUIEMVCDZANLL-NPQIQWPPSA-N 368.531 4.749 0 40 FJAB COc1cc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1OC(C)C 13041806 PPVQUZPJWSHAGU-HVMBIVEYSA-N 365.901 4.844 0 40 FJAB O=C(COc1c(Cl)cccc1Cl)Nc1ccccc1N1CCCC1 15934639 ZYPUKWCDAMBIET-UHFFFAOYSA-N 365.260 4.611 0 40 FJAB Cc1nc(COc2cccc(C(=O)N3CCCc4ccccc43)c2)cs1 16705262 OTMBZMZIMXDEKG-UHFFFAOYSA-N 364.470 4.624 0 40 FJAB Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)C[C@H](c1cccs1)C3 18197743 CERXNSGHLLVNAA-CQSZACIVSA-N 359.454 4.703 0 40 FJAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccccc3)n[nH]2)cc1 19743201 FWHQUNQCWJUQRQ-JOCHJYFZSA-N 365.452 4.507 0 40 FJAB COc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3c(C)noc3C2)cc1 19872785 UKZRJSIQIVGQMW-MRXNPFEDSA-N 350.393 4.982 0 40 FJAB COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1-c1ccc(CO)o1 20137641 YTDJDAPMPGWXGT-UHFFFAOYSA-N 365.429 4.823 0 40 FJAB COc1ccc(-n2nc(Nc3cccc(C)c3)c3c2C[C@H](C)CC3=O)cc1 20796931 CKAXLXVYVLSYKP-HNNXBMFYSA-N 361.445 4.698 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504184 ZFCAJHXKIFBCGW-UHFFFAOYSA-N 369.852 4.673 0 40 FJAB O=C(C1CCCC1)N(C[C@H]1CCCO1)c1nc2ccc(Cl)cc2s1 22890464 UBFFPEAZLSQTNE-CQSZACIVSA-N 364.898 4.652 0 40 FJAB CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(Cl)ccc21 32607745 DDDHGIULOXHTLA-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1cccc(Cl)c1 32609658 PKXRCSNDTIHUFM-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB CC(C)c1cc(C(=O)N(C)Cc2nccn2C(F)F)c(O)c(C(C)C)c1 32914461 MUZYPGUDHIHGKR-UHFFFAOYSA-N 365.424 4.503 0 40 FJAB CCOc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)cc1OCC 32994646 PZGXSRXCNBABNF-UHFFFAOYSA-N 364.445 4.901 0 40 FJAB C[C@H](SCc1ccccc1Br)C(=O)Nc1ccccc1F 36701208 ZANIAHCEEGPBTN-NSHDSACASA-N 368.271 4.849 0 40 FJAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3F)s2)c1 40073389 XFKBUOMMPJEARQ-UHFFFAOYSA-N 354.406 4.765 0 40 FJAB COc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)c(OC)cc1Cl 40103662 QQXFKGWWENVZKO-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(C)c(OC)c2)cc1 48342403 WQAQMVQGDGZOQO-UHFFFAOYSA-N 374.484 4.804 0 40 FJAB O=C(Nc1ccnn1Cc1cccs1)c1cc(Cl)ccc1Cl 58323749 NLRHISCBFMTNMI-UHFFFAOYSA-N 352.246 4.552 0 40 FJAB CCCCC(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 64580026 ODCCSYZPFFBIPW-UHFFFAOYSA-N 351.406 4.541 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc2[nH]ccc12 65478417 ZTDSRVDFGZLYIN-UHFFFAOYSA-N 361.401 4.604 0 40 FJAB O=C1Nc2ccccc2[C@@H]1Cc1cccn1-c1ccc(OC(F)(F)F)cc1 100912821 JRPPABOOANVXES-KRWDZBQOSA-N 372.346 4.654 0 40 FJAB Brc1ccc(-n2c(-c3ccccn3)nc3ccccc32)cc1 113612643 UCIFDEOTYCAEJZ-UHFFFAOYSA-N 350.219 4.850 0 40 FJAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cc1cc2c(ccc3ccccc32)o1 133753944 TWWOSPJFGKFADL-HXUWFJFHSA-N 373.456 4.832 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1C 216353925 XDKARAZOVOEIRF-INIZCTEOSA-N 369.461 4.701 0 40 FJAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc(OC)c(C)c1 223596075 KWOJMESNCLNWCS-IBGZPJMESA-N 355.478 4.773 0 40 FJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224201351 DKUHLZNDXIOGIH-CQSZACIVSA-N 361.869 4.764 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccccc1C(C)C 224562489 MKOJZVLRSSQKBG-UHFFFAOYSA-N 353.462 4.680 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225739624 NIBPNGXPTMOLQZ-KRWDZBQOSA-N 367.836 4.573 0 40 FJAB CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257304468 SLVFDMWJBRJJMC-KSEOMHKRSA-N 373.537 4.817 0 40 FJAB CC(C)CCC[C@]1(C)Oc2ccc(O)cc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257340283 ZFJDVFWLQZTGGM-NNWRFLSQSA-N 373.537 4.817 0 40 FJAB COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 408620714 JIBBTOGEUMEMDE-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB COc1cc(OC)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Cl 409136410 UKTHXIURCSMMGC-SXGWCWSVSA-N 371.864 4.900 0 40 FJAB Cc1occc1C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 677061487 WTLRGVKCNYMRJN-INIZCTEOSA-N 371.481 4.504 0 40 FJAB O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)c1cc(-c2ccco2)[nH]n1 1648839546 RSZMOYITOCCEBK-FQEVSTJZSA-N 367.424 4.860 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 875835 VNLMFXZWGFBMJJ-UHFFFAOYSA-N 374.849 4.585 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 970941 XRTZJVFLKUSDTN-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CC(=O)SCCc1ccc(Cc2ccc(CCSC(C)=O)cc2)cc1 1682838 XTZCFGUBKYUPPW-UHFFFAOYSA-N 372.555 4.922 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 2231710 QGOUGPTYLPLQHO-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc12 3256382 AYENZBQNXFOQGQ-YVEFUNNKSA-N 371.481 4.843 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)C(c1ccccc1)c1ccccc1 3316828 RLAQITHRWAAAII-UHFFFAOYSA-N 374.436 4.773 0 40 FJAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(F)c(F)cc1Cl 3342198 VBYHJIIDLMZMJZ-UHFFFAOYSA-N 363.713 4.610 0 40 FJAB C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC 4214000 KIQQMECNKUGGKA-YLONDYRMSA-N 369.505 4.715 0 40 FJAB Cc1ccc(/C=C2\SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 4713864 FXPLCFQQBSVNLJ-WQRHYEAKSA-N 352.459 4.718 0 40 FJAB Cc1nc2ccc(NC(=O)c3ccc4c5c(cccc35)CC4)cc2nc1C 4717149 GUYKVJHYURAXCR-UHFFFAOYSA-N 353.425 4.751 0 40 FJAB CCc1sc(NC(=O)CCc2ccc(OC)cc2)nc1-c1ccccc1 4732321 OJFHTLMVLFZESY-UHFFFAOYSA-N 366.486 4.952 0 40 FJAB COc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@@H]3C2)cc1OC 5142141 SLVINDWNJXCQHR-AVRDEDQJSA-N 366.461 4.620 0 40 FJAB COc1cccc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 5510269 NLRQLEPNGSZBEK-RMKNXTFCSA-N 350.245 4.674 0 40 FJAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)c1c[nH]c2ccccc12 6436766 XSSIRVGJCCHGJZ-CYBMUJFWSA-N 353.443 4.693 0 40 FJAB CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1cccs1 6602626 FMJFEVAATQCIDK-UHFFFAOYSA-N 368.487 4.974 0 40 FJAB Cc1nc2cc(NC(=O)c3csc(-c4ccc(F)cc4)n3)ccc2o1 8369352 FYPDYFRGZLFOKG-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(OC)c1 8985322 BFAFTFDXXIGNLL-UHFFFAOYSA-N 369.461 4.769 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@H]1c1ccccc1Cl 9221304 FVYWHNMZQUCIEI-KBPBESRZSA-N 355.850 4.601 0 40 FJAB Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)oc2c(Cl)cccc12 9578464 ABDMUINFCJUUGC-UHFFFAOYSA-N 368.820 4.539 0 40 FJAB Cc1ccc(OCC(=O)N(c2ccccc2)C(C)C)c2c1[C@@H](C)CC2=O 11052212 GGERVBIUJNWPHA-INIZCTEOSA-N 351.446 4.505 0 40 FJAB Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)C(C)C)c2c1[C@H](C)CC2=O 11052929 WMWMPWFYUJBNMI-WAIKUNEKSA-N 365.473 4.577 0 40 FJAB COCc1cccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 11517736 WBHOVIWFDIRUPM-UHFFFAOYSA-N 363.413 4.886 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccccc3OC)ccc2c1 12942446 QACPLTXPJYTSSY-CVEARBPZSA-N 363.457 4.838 0 40 FJAB Cc1ccc2cc(CN(C(=O)C(C)C)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13714030 JBKIUBPUVZSEKA-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB 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Cc1ccc(S(=O)(=O)/C=C/CSc2nc3ccccc3s2)cc1 6030176 RPHVOQUZSQQMHA-UUILKARUSA-N 361.513 4.684 0 40 FJAB Cc1cc(C)c2c(N)c(-c3ccc(Cl)c(Cl)c3)c(NC#N)nc2n1 6390243 UKTMUONYXVOWSP-UHFFFAOYSA-N 358.232 4.696 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2ccc(F)cc2)s1 7780238 HVLWTODDNWCPJA-UHFFFAOYSA-N 369.417 4.968 0 40 FJAB COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 8279165 BRHHXIBXSUFJMV-JWAFFJSPSA-N 352.459 4.538 0 40 FJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)o1 8279685 RYTXFSLBUFZNQT-AWEZNQCLSA-N 368.458 4.726 0 40 FJAB CCC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 9426431 FESIFMTXOCIFNL-UHFFFAOYSA-N 358.441 4.555 0 40 FJAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)Nc2ccc(Br)cc21 9435177 NZGUDNRDXBPQLJ-SGTLLEGYSA-N 359.267 4.747 0 40 FJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 9987882 NKEFMJQABROXMH-VQHVLOKHSA-N 371.839 4.614 0 40 FJAB O=C(NC1CC1)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccc(F)cc1 12238488 ITMMMJQORHXWSA-INIZCTEOSA-N 354.208 4.531 0 40 FJAB O=C(CCc1ccc(OC(F)F)cc1)Nc1ccccc1Br 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Cc1ccccc1[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 23865487 FYLUHHGPKADLSF-XMMPIXPASA-N 370.496 4.542 0 40 FJAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)n1C(C)C 25077475 XAZFYYUTIUOZKN-QGZVFWFLSA-N 364.493 4.582 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1C 28237660 ZJWXKWUXJPKYNM-NSHDSACASA-N 359.779 4.680 0 40 FJAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc3cc(C)ccc3n2C)cc1 35316907 QCEBMTMOEFJUSV-OAQYLSRUSA-N 362.473 4.863 0 40 FJAB C[C@@H](CC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1 40090708 RTJKHLIGKJZIFX-AWEZNQCLSA-N 356.853 4.599 0 40 FJAB CCc1cc2c(OCC(=O)OC(C)(C)C)cccc2n1Cc1ccccc1 40433889 BKKATOCEHZVOTC-UHFFFAOYSA-N 365.473 4.973 0 40 FJAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 45036495 MRLGGPAKNUZADQ-KCXAZCMYSA-N 370.415 4.581 0 40 FJAB c1csc([C@H](CNc2ncnc3c2oc2ccccc23)N2CCCC2)c1 68836728 DBLUETNCWBUBGL-HNNXBMFYSA-N 364.474 4.687 0 40 FJAB O=C(CC1CCCC1)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 72375301 YKMDOCGCQDUZBU-SFHVURJKSA-N 368.456 4.603 0 40 FJAB C[C@@H](c1cccc(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 84656040 CGFWEOJYWXJTOX-YOEHRIQHSA-N 369.415 4.955 0 40 FJAB Cc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)O 95929479 PWPJUPMQEJFHLP-UHFFFAOYSA-N 370.274 4.931 0 40 FJAB CC(C)(C)[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 95996233 HCCDCFZJUMPLFN-QFIPXVFZSA-N 374.488 4.950 0 40 FJAB c1ccc2oc(-c3nnc4sc(-c5c[nH]c6ccccc56)nn34)cc2c1 96194025 CIGJEWLZKDZTFC-UHFFFAOYSA-N 357.398 4.747 0 40 FJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)cc1Cl 101136988 LXWFZMOMVNLPLZ-UKBAYJJMSA-N 355.865 4.664 0 40 FJAB CSCc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)ccc1F 174033917 BXMOFAKUZSCMEY-UHFFFAOYSA-N 369.465 4.744 0 40 FJAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222904513 WREWNJHQLVYYRM-QGZVFWFLSA-N 353.531 4.984 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 223261220 QTZXXOZUCOIAOO-LXGFQCHUSA-N 355.522 4.971 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccccc1C(C)(C)C 223667755 GIUCDSIDACHBBC-MRXNPFEDSA-N 357.519 4.660 0 40 FJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 224323250 VWPAVYHKIHELRU-PMACEKPBSA-N 363.486 4.723 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1cccc(C)c1 224381081 VCWCMGMMRRPFAE-UHFFFAOYSA-N 353.462 4.645 0 40 FJAB COc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 225497614 QXQWYRRMPBQCMU-IBGZPJMESA-N 358.507 4.778 0 40 FJAB CC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 248381900 VINIGKDXHQXFGW-ZBWQPJPKSA-N 361.441 4.884 0 40 FJAB Cc1cccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)c1 408722512 VEEUCUJWBIIENO-UHFFFAOYSA-N 368.502 4.643 0 40 FJAB COCCn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 409101306 SNKBFCOGUPCRFB-UHFFFAOYSA-N 359.882 4.537 0 40 FJAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc2oc(C(=O)O)cc2c1 565102981 JYJLVPZSFBSPNI-GUYCJALGSA-N 353.393 4.648 0 40 FJAB O=C(NCc1cc(-c2ccsc2)cs1)c1ccc(Br)o1 1775969944 SWRVGRKEZFFSIX-UHFFFAOYSA-N 368.277 4.762 0 40 FJAB c1ccc([C@H]2N=C(c3ccc4cccnc4n3)O[C@@H]2c2ccccc2)cc1 1911947632 JIAZQMUSVIVHCY-NHCUHLMSSA-N 351.409 4.889 0 40 FJAB COCCCCCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 2061000586 KTNIHSLSRBZYIQ-UHFFFAOYSA-N 366.413 4.572 0 40 FJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccccn2)c(C(C)C)c1 851823 GDTOGWDPMHLSOQ-UHFFFAOYSA-N 374.550 4.930 0 40 FJAB CSc1nnc(COc2cccc(C(F)(F)F)c2)n1-c1ccccc1 1396266 GZVXXRMVKIHMOH-UHFFFAOYSA-N 365.380 4.587 0 40 FJAB COc1ccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 1447039 XLCBKUKAXKIVAW-UHFFFAOYSA-N 362.404 4.811 0 40 FJAB Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1C 2134981 MTNPPMNECNROHM-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB COC(=O)CCSc1ncnc2scc(-c3ccc(Cl)cc3)c12 2701260 GFHDAASIUBDTJO-UHFFFAOYSA-N 364.879 4.667 0 40 FJAB CCOC(=O)c1c(NC=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 3077641 LFGLERSAGWZISH-UHFFFAOYSA-N 369.442 4.630 0 40 FJAB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1 3277907 OPEMARMTXKSJHY-SNVBAGLBSA-N 371.742 4.543 0 40 FJAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCCc2ccccc21 3415675 MIEISRUUBZNCCM-CJNGLKHVSA-N 368.527 4.971 0 40 FJAB Cc1ccc(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1C 3455913 DTYAUBCRQUHQNG-UHFFFAOYSA-N 358.413 4.886 0 40 FJAB O=C(COc1ccccc1)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655388 WXUTVEFDDLFGTF-UHFFFAOYSA-N 371.392 4.681 0 40 FJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1ccccc1Cl 4596637 YHFQOGBPRRJCAJ-OQLLNIDSSA-N 362.813 4.585 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)c1 5451376 ZEESHELBUKPBPU-UHFFFAOYSA-N 373.437 4.813 0 40 FJAB Cc1ccc(-c2nc3c(s2)CN(C(=O)/C=C/c2ccccc2)CC3)cc1 5451742 QTUXOLOJUNNZIR-FMIVXFBMSA-N 360.482 4.717 0 40 FJAB CCOC(=O)c1ccc(Cn2ccc3cc(Br)ccc32)cc1 6630377 IAPYUQCAJLIYEV-UHFFFAOYSA-N 358.235 4.629 0 40 FJAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 6664309 SJCVEGDYXNHRTC-INIZCTEOSA-N 355.441 4.650 0 40 FJAB CCc1ccc(C(=O)CSc2n[nH]c(-c3ccc(CC)cc3)n2)cc1 6709886 QJRHHZNQMWPGPQ-UHFFFAOYSA-N 351.475 4.572 0 40 FJAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccc2ccccc12 6897005 GITAXGUAESKPMT-UHFFFAOYSA-N 372.449 4.825 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCc4ccccc43)cc12 7166564 ZPHQWEIFSNESIT-UHFFFAOYSA-N 359.454 4.598 0 40 FJAB CCCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 7262330 UCBKYPKOLPQTNU-UHFFFAOYSA-N 351.849 4.956 0 40 FJAB C[C@H]1CSC(N(C(=O)CCc2ccsc2)c2ccc(Cl)cc2)=N1 7781029 WAKPBCNRQJNOEI-LBPRGKRZSA-N 364.923 4.859 0 40 FJAB Cc1nc2ccccc2c(C)c1C(=O)OCc1cc(-c2cccs2)on1 8006987 NCDCOZPEKDFCBK-UHFFFAOYSA-N 364.426 4.925 0 40 FJAB CCOc1cccc(-c2nn3c(CSc4ccccc4)nnc3s2)c1 8393156 JJPXXWKPKOHUIZ-UHFFFAOYSA-N 368.487 4.544 0 40 FJAB CCN(C(=O)c1cccc(OCCOc2ccccc2)c1)c1ccccc1 8563427 JYYVWEDXTFYTLX-UHFFFAOYSA-N 361.441 4.811 0 40 FJAB Cc1cccc(NC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 8943558 APEYEGOKCDWCJY-UHFFFAOYSA-N 361.449 4.624 0 40 FJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3Cl)ccc21 9137518 AINWMEFFXOYYBC-UHFFFAOYSA-N 374.843 4.667 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 9164876 QBQQOBPRODWYTC-UHFFFAOYSA-N 350.462 4.573 0 40 FJAB CCc1cc(=O)oc2cc(OCc3cc(-c4cccs4)on3)ccc12 10199031 GGOWVLOTCHVCTI-UHFFFAOYSA-N 353.399 4.651 0 40 FJAB CC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1Cl 10944961 KLQFFPCPWXVULQ-LBPRGKRZSA-N 370.840 4.830 0 40 FJAB CCn1nc(C)cc1C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 11696037 CZNKGCUXMZYXCC-UHFFFAOYSA-N 354.479 4.711 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccnc3)no2)cc1 12143932 SFIAZIGJMVXTNR-NRFANRHFSA-N 363.461 4.863 0 40 FJAB CCCCc1ccc(Nc2nnc(SCc3nnc(C)o3)s2)cc1 12544033 GTQITUDGPYWMHL-UHFFFAOYSA-N 361.496 4.608 0 40 FJAB Cc1ccccc1Cn1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)n1 13331060 AJSLQSBZIDSDDA-UHFFFAOYSA-N 374.872 4.841 0 40 FJAB Cc1ccc(CSCCNC(=O)CCSCc2ccccc2)cc1 13687937 GSMBWJRADICKLO-UHFFFAOYSA-N 359.560 4.668 0 40 FJAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 14001427 VWNMARODSMOMFH-UHFFFAOYSA-N 367.301 4.991 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 14398997 WGBUSZCMLVSZBJ-VIFPVBQESA-N 372.621 4.648 0 40 FJAB O=C(CSc1ccccc1)Nc1nnc(SCc2ccccc2)s1 14582468 CNUOOFUJTBJHFF-UHFFFAOYSA-N 373.528 4.561 0 40 FJAB C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)CC(C)(C)CC1=O 16957426 UCSIADQIPSFJSN-JZKQVHKSSA-N 373.924 4.692 0 40 FJAB COc1ccc(CSCC(=O)NCc2ccc(Cl)cc2Cl)cc1 20237785 SHDWHBUVHUJFCN-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 20461895 KINHJALUNZBEDK-QHCPKHFHSA-N 362.517 4.726 0 40 FJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc2ccccc2o1 24606137 XHUXGIQUCKVUMZ-UHFFFAOYSA-N 370.408 4.615 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(C)c2ncccc12 24832725 ZVNKDSGBVJHMGS-UHFFFAOYSA-N 355.441 4.889 0 40 FJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(Cl)cn1 26860718 BQMABPVVUDXABB-UHFFFAOYSA-N 364.257 4.693 0 40 FJAB CCCCCC[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 32801819 TVBRZMGYINOIBH-MRXNPFEDSA-N 351.922 4.531 0 40 FJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccc2ccccc2c1 32927540 ZNQHEYRVWHKAHI-VAWYXSNFSA-N 357.862 4.584 0 40 FJAB O=C(NCCc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 38755116 UMAZWUVLWHQVSY-UHFFFAOYSA-N 370.496 4.612 0 40 FJAB COc1ccc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1OC 40286805 DMESQCSLILJAMK-CQSZACIVSA-N 366.442 4.951 0 40 FJAB C[C@H](Sc1ncnc2sc3c(c12)CCC3)c1nc(C(C)(C)C)no1 44092624 HGQFVAOEQXYETB-VIFPVBQESA-N 360.508 4.714 0 40 FJAB O=C(NCc1cccc(Oc2ccc(F)cc2)c1)NCc1cccs1 44226313 CDRWPQIJZLYHOV-UHFFFAOYSA-N 356.422 4.679 0 40 FJAB COc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 48990917 FMLOXOTUGHEDKJ-UHFFFAOYSA-N 353.472 4.759 0 40 FJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)ccc1C 49005535 KWOVLFJHDQPQLS-UHFFFAOYSA-N 362.477 4.781 0 40 FJAB CCCN(C(=O)c1ccc2ccccc2c1)[C@H](C)C(=O)Nc1ccccc1 58157358 QBZQEPNPAXLIJR-QGZVFWFLSA-N 360.457 4.719 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC 58161829 ISIHBRKYZWNOQJ-ULQDDVLXSA-N 354.494 4.887 0 40 FJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)c2)cc1 72370024 WQKOXYXMLAKKSH-SFHVURJKSA-N 366.505 4.818 0 40 FJAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 72414374 MSWSQTAPQHRSRB-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB Cc1cc2[nH]c(-c3cccc(I)c3)nc2cc1Cl 73638963 IBDSLAOQWVRHGS-UHFFFAOYSA-N 368.605 4.796 0 40 FJAB COc1ccc(-c2nc(C(=O)Nc3scnc3C(C)(C)C)cs2)cc1 79015522 YJYYVLLURANCHX-UHFFFAOYSA-N 373.503 4.825 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccnc3)ccc21 89305374 DBNGQMQDNANXLD-OAHLLOKOSA-N 359.429 4.615 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)o1 95350881 UENNAMFBZPTYIU-WCQYABFASA-N 372.490 4.586 0 40 FJAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 104753534 NPMQWWNZVQEMNP-UHFFFAOYSA-N 366.313 4.812 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219375313 VYSFIXXXKZYHMJ-MOPGFXCFSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220159 BVAQTBXTHYENAF-VGOFRKELSA-N 351.490 4.827 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1 224480689 VEOCDMKTLFRGJR-QZTJIDSGSA-N 368.893 4.549 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(C)c1 225768463 XAOATZPXIMVIGK-MJGOQNOKSA-N 355.478 4.655 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 225809591 OFGJKFZJJYLSOQ-UHFFFAOYSA-N 369.852 4.887 0 40 FJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)c1 225813685 JOJRWSRYYRRNDO-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cc1cccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c1 408675800 KPTZGFUSMBPBES-UHFFFAOYSA-N 372.399 4.875 0 40 FJAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 409057653 LPRHHOIZBPVNJH-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB C[C@H]1C(=O)Nc2ccc(-c3csc(Nc4ccc(Cl)nc4)n3)cc21 1322365564 DZPGWMFCLZUCOB-SECBINFHSA-N 356.838 4.658 0 40 FJAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 1775975852 GXXKCNZNCZRKLP-DOTOQJQBSA-N 352.821 4.529 0 40 FJAB COC(=O)c1cc(-c2cccs2)c(C(=O)OC)cc1-c1cccs1 719503 PKSHOIIKOPKUJR-UHFFFAOYSA-N 358.440 4.717 0 40 FJAB COc1cc(OCc2ccccc2)c(OC)c(OCc2ccccc2)c1 1670046 PNUMSBOKHDXVOT-UHFFFAOYSA-N 350.414 4.862 0 40 FJAB CN(C)c1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1773556 KKFDRIGPTBDPDQ-UHFFFAOYSA-N 354.494 4.848 0 40 FJAB COc1ccc([C@H](CCNCc2ccc(OC)c(OC)c2)C(C)C)cc1 1798357 XABPPFYKVVQMGX-HXUWFJFHSA-N 357.494 4.632 0 40 FJAB biogenic CCCCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O 2295450 YRKHCBXJUVCNNS-UHFFFAOYSA-N 350.414 4.706 0 40 FJAB CCCc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1 3448617 HYNALEHTPBVYDP-UHFFFAOYSA-N 368.458 4.673 0 40 FJAB Clc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326800 BVJKZQYCDKKZRF-UHFFFAOYSA-N 358.879 4.799 0 40 FJAB CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 4747443 OXKYCYULUFRFFQ-MRXNPFEDSA-N 361.420 4.834 0 40 FJAB CCN(C(=O)c1nccnc1-c1nc2ccccc2s1)c1cccc(C)c1 6662459 HHXLVHACCIKGMG-UHFFFAOYSA-N 374.469 4.728 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@H]1c1cccn1C 7856304 LDVKIQCDCXTLDN-IBGZPJMESA-N 354.885 4.510 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 8135035 QTCKJHZTPZLRJQ-UHFFFAOYSA-N 352.394 4.846 0 40 FJAB O=C(NCc1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccs1 8394924 LMLWLZGZBAORDZ-UHFFFAOYSA-N 360.866 4.907 0 40 FJAB CCc1ccc([C@H](NC(=O)Cc2ccc(F)cc2)c2cccs2)cc1 9901148 ALSAPUJIWKUZLH-NRFANRHFSA-N 353.462 4.898 0 40 FJAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1cccc2ccccc12 10330471 HMWXGIOWJCQBFG-FQEVSTJZSA-N 352.865 4.526 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3c(C)cccc3C)cs2)cc1 12774320 IIPKOHFDDWETOY-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB Cn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2ccccc2)c1=S 12792517 KWKUMRBHAIOFFR-SFHVURJKSA-N 368.481 4.552 0 40 FJAB Cc1ccsc1CN(C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 12807219 AYBBXBHOSJPVCK-UHFFFAOYSA-N 367.396 4.757 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C(=O)C[C@]1(CCC[C@@H](C)C1)O2 12893329 FIAKOIHLLJSBOV-VERVWZFWSA-N 352.430 4.504 0 40 FJAB biogenic CC[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(Cl)cc1 13014369 XIQLVVHGYQPQMA-MRXNPFEDSA-N 355.837 4.978 0 40 FJAB c1ccc(CCCc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13693416 IBISCMJCOYUEPQ-UHFFFAOYSA-N 359.458 4.509 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20105558 RBBABYVAAXUHFD-SFTDATJTSA-N 373.468 4.895 0 40 FJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@H](C)c1ccccc1)CO3 20479979 HVUOHEIFNBNVES-CQSZACIVSA-N 369.848 4.976 0 40 FJAB CCc1ccccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 20898194 PCNVQRDDYHSUMJ-UHFFFAOYSA-N 355.825 4.524 0 40 FJAB CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236718 RTFGLRNLCLYEAB-UHFFFAOYSA-N 374.362 4.601 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)ccc1OC 22522764 YHTXJGSZUSQVSQ-QGZVFWFLSA-N 365.882 4.867 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1C 23121358 RHAYWFHLXGYGLN-UHFFFAOYSA-N 351.368 4.984 0 40 FJAB C[C@@H](c1ccccc1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 24686845 AYJUWMJNTQFETG-ZDUSSCGKSA-N 361.367 4.948 0 40 FJAB Cc1ccc(Sc2ncccc2C(=O)Nc2nc3ccccc3[nH]2)c(C)c1 25315140 ODRNBFIPBWVESR-UHFFFAOYSA-N 374.469 4.978 0 40 FJAB CCN(CC)C(=S)S[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 32910080 GGMLLTICYYDYEH-CYBMUJFWSA-N 352.569 4.671 0 40 FJAB Cc1ccc(C2=NC(=C(Nc3ccccc3)Nc3ccccc3)C(=O)O2)cc1 41155022 ZSFMAPMRUKHFEJ-UHFFFAOYSA-N 369.424 4.692 0 40 FJAB CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44911198 OJLGYLLGVRDTBV-QGZVFWFLSA-N 372.896 4.589 0 40 FJAB CCOc1ccc2cc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)[nH]c2c1 48287834 HKNVINUYCVTDNG-DYVFJYSZSA-N 352.434 4.555 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C 64983089 YRRLJTHQOCBXCA-SFHVURJKSA-N 352.478 4.700 0 40 FJAB Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)ccc1F 67296372 ATJHDPFGVNKWKF-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(Cl)cc1 71326696 ZAAPEKQMRIVWIC-UHFFFAOYSA-N 363.914 4.780 0 40 FJAB O=C(C1CCCC1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349640 CAFYYUWMSNVKER-UHFFFAOYSA-N 366.480 4.708 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1C[C@@H]1c1c(F)cccc1F 89768114 HMQGYXWNCIAILB-TVQRCGJNSA-N 357.187 4.949 0 40 FJAB COc1ccc(Br)c(C=O)c1OCc1c(F)cccc1Cl 95095012 LVJOKAHRSINTHC-UHFFFAOYSA-N 373.605 4.642 0 40 FJAB S=C(NNc1c(Cl)cc(Cl)cc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 102194739 KIBKVQNSQGHGMX-YVZVNANGSA-N 364.729 4.626 0 40 FJAB COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 104716415 QPYTWSCBTFMMPM-PTNGSMBKSA-N 373.408 4.627 0 40 FJAB CCSc1ccccc1NS(=O)(=O)Cc1c(F)cccc1Cl 216293397 JZKJBNXYLAKMIZ-UHFFFAOYSA-N 359.875 4.533 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc2c(c1)CCCC2 223096730 YSDJHNTZGXAWDA-ZHRRBRCNSA-N 367.489 4.609 0 40 FJAB 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FJAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cs2)cc1 12994463 YIGFLEOJYPUPES-NSHDSACASA-N 374.412 4.588 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(OCC)cc2)cc1 13796680 VERQTFBIHMBWOJ-UHFFFAOYSA-N 372.490 4.851 0 40 FJAB CCc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 14257932 ZJQMKEQTGZDSJW-UHFFFAOYSA-N 356.425 4.987 0 40 FJAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1O 16411835 GJGWALPEDIUSKA-OVCLIPMQSA-N 370.836 4.607 0 40 FJAB Cc1ccc([C@H](Cc2ccsc2)NCc2c[nH]nc2C(C)(C)C)nc1 19215451 LJAUWJVXSLDGHM-SFHVURJKSA-N 354.523 4.546 0 40 FJAB COc1ccccc1CN(C)C(=O)/C(=C/c1ccccc1)c1ccccc1 20461669 VAGRJFUGBGOLLJ-OQKWZONESA-N 357.453 4.894 0 40 FJAB O=c1[nH]c2ccccc2cc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 28511572 QQOCNKBFWBDBGX-JOCHJYFZSA-N 364.408 4.517 0 40 FJAB CCN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 32369616 HJUOKCODAOOHFR-UHFFFAOYSA-N 370.250 4.506 0 40 FJAB C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 33526445 QWQRGWMBWMYNRI-WTIAFYNJSA-N 373.581 4.533 0 40 FJAB 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354.928 4.548 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 9346994 FUQOBHBBCRLRTA-CQSZACIVSA-N 369.515 4.941 0 40 FJAB CSc1ccc(C(=O)CCC(=O)N[C@@H]2CCSc3ccccc32)cc1 9754328 UUQLWQZCJOVMHI-QGZVFWFLSA-N 371.527 4.725 0 40 FJAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1ccc(Cl)cc1)O2 11866497 QJPBFTPUIARFPI-OAHLLOKOSA-N 354.789 4.770 0 40 FJAB COc1ccc(Oc2cc(NC(=O)c3cccs3)ccc2OC)cc1 12674324 GXOYONXOSZMIHC-UHFFFAOYSA-N 355.415 4.810 0 40 FJAB COc1ccc([C@H](CNC(=O)[C@@H]2CC=CCC2)c2c[nH]c3ccccc23)cc1 12790941 VEYKTZZAZVVCDU-NQIIRXRSSA-N 374.484 4.781 0 40 FJAB COc1ccc(CCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 12939770 WTUVTBHRKDGHHQ-UHFFFAOYSA-N 356.441 4.711 0 40 FJAB COc1ccc(NC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)cc1 13629802 BGMFMPJLDLIWAY-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB CC[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(NC(C)=O)cc1 14227317 LKQQUVPUSZFRTL-INIZCTEOSA-N 370.518 4.564 0 40 FJAB COc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1OC 15012283 RNIPIULMXFRFOS-UHFFFAOYSA-N 365.882 4.868 0 40 FJAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(C(F)(F)F)c1)NCC2 20506870 GIAAWMMXZKYCJX-IBGZPJMESA-N 365.395 4.738 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1C 25328746 PTUZTSXESUMRQZ-GJZGRUSLSA-N 361.869 4.644 0 40 FJAB Cc1ccccc1Cn1nc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1C 28231010 VUVWDIAYOSEWKL-NHCUHLMSSA-N 359.473 4.599 0 40 FJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)C1CCCCC1 28574356 KYVKPYFQDLIYKO-UHFFFAOYSA-N 352.265 4.757 0 40 FJAB CC(C)c1ccc(NC(C)(C)c2nnnn2-c2ccc(Cl)cc2)cc1 35622241 JUWPACYTXIIIGX-UHFFFAOYSA-N 355.873 4.786 0 40 FJAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)cc1Cl 35622697 OUUOQDSXMLDNOC-UHFFFAOYSA-N 350.809 4.807 0 40 FJAB O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1Cl 36397301 YIRHABMGMXTKOH-UHFFFAOYSA-N 362.260 4.509 0 40 FJAB CCC(=O)N(CCn1nc(C)cc1C)c1nc2c(C(C)C)cccc2s1 36705528 QGLGWBQSFQAZIQ-UHFFFAOYSA-N 370.522 4.676 0 40 FJAB O=C(Nc1ccc(F)cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 58050763 FGNGIOQNNXBINK-UHFFFAOYSA-N 371.239 4.549 0 40 FJAB Cc1ccnn1-c1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 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4.854 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](c2ccccc2)CC1 1537925867 RBQXWVAJCUAEBW-QGZVFWFLSA-N 350.245 4.597 0 40 FJAB Cc1ccc(-c2cc(C(=O)N[C@@]3(C)CCCc4ccccc43)n[nH]2)cc1C 1566762890 XXMQTPMPBBFSSU-QHCPKHFHSA-N 359.473 4.675 0 40 FJAB Cc1ccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 632693 WTOUAKPRUSUMIQ-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 655801 DNPZQZZNVHOHTQ-UHFFFAOYSA-N 372.709 4.510 0 40 FJAB COc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1OC 1447779 GHYXGRJKRSMWFA-UHFFFAOYSA-N 358.441 4.693 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1C1CCCCC1 2633347 BUTHITKWPVSBFS-UHFFFAOYSA-N 350.422 4.604 0 40 FJAB O=C(CSc1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 2647906 HPOKBCJVOWREJV-UHFFFAOYSA-N 374.662 4.972 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)n1 2764472 INJZECHPTDEXGG-UHFFFAOYSA-N 364.232 4.700 0 40 FJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(C(=O)c2ccccc2)cc1 3181905 ARLZCZOTZQREES-UHFFFAOYSA-N 362.454 4.505 0 40 FJAB COc1ccc(/C=C/C(=O)OCc2ccc(Cl)c(Cl)c2)cc1OC 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40 FJAB Cc1cc2c(cc1/C=C1/SC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 8336781 ORHMLXREFVBVAI-LZYBPNLTSA-N 373.817 4.618 0 40 FJAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1c(F)cccc1Cl 11887436 TVXWOZCEOYIKFE-VQHVLOKHSA-N 350.773 4.555 0 40 FJAB COc1c(C)cccc1C(=O)NCCCn1c2ccccc2c2ccccc21 12462953 QJEJEEINLGDCRW-UHFFFAOYSA-N 372.468 4.932 0 40 FJAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12574211 UZVMLGYKEVSCIY-NTCAYCPXSA-N 363.436 4.560 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OC(C)C)cc3)cc2)cs1 12614139 BMUJNCVLALWJKO-UHFFFAOYSA-N 366.486 4.836 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(OC)c1 12807316 ALPBBIXBCHPQGD-UHFFFAOYSA-N 367.367 4.684 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 12933520 WOWWIGNZGZZEJW-AWEZNQCLSA-N 356.878 4.970 0 40 FJAB Cc1nn2c(=O)c(Cc3ccccc3)c(C)[nH]c2c1-c1ccc(Cl)cc1 13116636 OVCLEYWEBGMHRH-UHFFFAOYSA-N 363.848 4.551 0 40 FJAB Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1C 14014617 LPXJWDYWEXFWMJ-INIZCTEOSA-N 366.486 4.739 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 14398995 WGBUSZCMLVSZBJ-SECBINFHSA-N 372.621 4.648 0 40 FJAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccc(Cl)s1 16090236 RYSGOSHQKVDXMJ-UHFFFAOYSA-N 350.848 4.836 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1C 19169275 MVOUQZYVHSPRDP-UHFFFAOYSA-N 359.516 4.800 0 40 FJAB CC[C@@H](NC(=O)c1cc2cccc(C)c2nc1C)c1c(C)nn(CC)c1C 19500421 FGXOFWRRKARWGU-LJQANCHMSA-N 364.493 4.566 0 40 FJAB Cc1ccc2c(NC(=O)CCCn3c(C)nc4ccccc43)c(C)ccc2n1 19717630 IFGCPNQYQUUYFQ-UHFFFAOYSA-N 372.472 4.929 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2c(C)ccc3nsnc23)cc1 21595333 IPTIQEDPPHQREK-LBPRGKRZSA-N 355.463 4.531 0 40 FJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(F)c1 21785494 UFMVSQRHEIJIIX-UHFFFAOYSA-N 361.419 4.655 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 23058337 VXVUYFHVGUYBOW-HOTGVXAUSA-N 368.477 4.801 0 40 FJAB CC(=O)Nc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 27061557 UZGVNTZDVXCCCA-UHFFFAOYSA-N 371.849 4.674 0 40 FJAB O=C(c1ccc(Br)cc1)N(Cc1cccc2[nH]ccc12)C1CC1 32104416 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353.368 4.895 0 40 FJAB C[C@H](NCc1ccc(Br)c(F)c1)c1nc2c(s1)CCCC2 97016235 VRGPSGDAKFDWQN-JTQLQIEISA-N 369.303 4.774 0 40 FJAB COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccsc3)=NN21 106922047 FNLUEFFLEHDPQB-WIYYLYMNSA-N 362.454 4.999 0 40 FJAB COc1ccc(-c2nc3c(s2)[C@@H](NCc2cccnc2C)CCC3)cc1 109352265 OIHSXTRZBOFQBM-SFHVURJKSA-N 365.502 4.689 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccc(Cl)cc1 223739507 AMDXGCHFLVGDBS-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3C)o2)cc1 224852346 AUCVTHRHPTUITG-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB O=C(CCSCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 224961605 QLEKDIUUKRXXSA-UHFFFAOYSA-N 354.519 4.939 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1Cl 225063866 YBGFRCASPMNZOV-FQEVSTJZSA-N 357.881 4.693 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccccc2)c1C 225481147 NCMUJSGMDZPABJ-QGZVFWFLSA-N 356.491 4.609 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225671370 HRDSJSZARJRNRW-HNNXBMFYSA-N 371.477 4.635 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)c(C)n1 225904754 QJCCKIRXRDPGGJ-HXUWFJFHSA-N 350.503 4.739 0 40 FJAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc2c1COCC2 585102520 ZOTBSURBYGKOLL-FQEVSTJZSA-N 350.462 4.745 0 40 FJAB Sc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 2211192 KIALEVUTJMKNAK-UHFFFAOYSA-N 372.906 4.827 0 40 FJAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 2320114 BRSPYRNBVDPSAB-UHFFFAOYSA-N 356.516 4.746 0 40 FJAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)C1CCCC1 3257359 WJGRXQMPRCZJAW-UHFFFAOYSA-N 353.900 4.613 0 40 FJAB Cc1ccc(C)c(C(=O)CSc2ncnc3sc4c(c23)CCC4)c1 3334260 AAXGVZNFHVQMFW-UHFFFAOYSA-N 354.500 4.772 0 40 FJAB Cc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1C 4033068 VBAWUBQNOLUTFW-UHFFFAOYSA-N 356.429 4.574 0 40 FJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1 4267329 HCNFQFNQLNMYEV-UHFFFAOYSA-N 366.417 4.678 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 4700400 IFIBNNZUZVBRRJ-LPHOPBHVSA-N 364.489 4.754 0 40 FJAB C[C@@H]1CCCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1 4980697 COVDMNDCPAJSKI-OAHLLOKOSA-N 364.468 4.651 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)c(C)s1 5001230 JEZSWCGUPTXTJD-UHFFFAOYSA-N 367.449 4.502 0 40 FJAB C[C@@H](c1ccccc1)n1c(CNC(=O)c2ccccc2)nc2ccccc21 5210067 JKBNDRLABVNCOO-KRWDZBQOSA-N 355.441 4.576 0 40 FJAB Cc1ccc(OC(=O)c2cccc(Br)c2)c(Br)c1 6220374 KCOXIYAZELXJOA-UHFFFAOYSA-N 370.040 4.739 0 40 FJAB c1cncc([C@@H]2Nc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 6674696 MCHCMWBZZMGXJL-DHIUTWEWSA-N 352.441 4.635 0 40 FJAB Cc1ccc(F)cc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 7061611 VGBNXHBUQQMVPM-GQCTYLIASA-N 361.800 4.601 0 40 FJAB COc1ccc(CCNC(=S)Nc2ccc(-c3ccccc3)cc2)cc1 7985466 XWQVMTMSHFLZHC-UHFFFAOYSA-N 362.498 4.891 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)sc2C1 8222541 XXFKLAXNMXELDB-SECBINFHSA-N 355.385 4.931 0 40 FJAB CCOc1ccc(Br)cc1CNCc1ccccc1Cl 8324588 RHZJCLDNTMKRQQ-UHFFFAOYSA-N 354.675 4.791 0 40 FJAB O=C(NCCOc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl 10995092 CDOGNPNETRBVAN-UHFFFAOYSA-N 360.240 4.955 0 40 FJAB CC(C)CCOc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1 12825300 HNTHNRDCJXZNRZ-UHFFFAOYSA-N 354.475 4.998 0 40 FJAB Cc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1 13647506 RBSLFAWTLGIYML-UHFFFAOYSA-N 365.901 4.770 0 40 FJAB COc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1 15732374 UWSYDGDBWIDOKI-UHFFFAOYSA-N 368.396 4.956 0 40 FJAB O=C(c1cc(Cl)ccc1O)N1CCC(c2c[nH]c3ccccc23)CC1 22283393 ZNWSLMDGYFWCBL-UHFFFAOYSA-N 354.837 4.547 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1cnn(-c2ccccc2)c1 25986133 LGOMRRDZZWOMII-UHFFFAOYSA-N 355.397 4.917 0 40 FJAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 27742424 NFHNOBOWPGKEFF-ONUXSRJRSA-N 372.578 4.608 0 40 FJAB CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220717 CSMOUCKAIVJUJI-SFHVURJKSA-N 356.897 4.753 0 40 FJAB O=C(NCc1cccc(COCc2ccco2)c1)Nc1cccc(Cl)c1 31095694 SCNVONDZGWPJTE-UHFFFAOYSA-N 370.836 4.972 0 40 FJAB Cc1sc(CCNC(=O)c2ccccc2Cl)nc1-c1ccccc1 39261184 GNDJPPYTDBBRGH-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)oc2c(F)cccc12 39973618 HBBBEJWSKHMNJL-IBGZPJMESA-N 360.388 4.795 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cccnc1NC1CCCCC1 40556528 OXMDXWIODUDNKQ-UHFFFAOYSA-N 359.857 4.741 0 40 FJAB COc1ccc(COCc2cccc(NCc3nc(C(C)C)no3)c2)cc1 58292540 KXFKEQZGSJQQBW-UHFFFAOYSA-N 367.449 4.531 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351973 NTLCMANHGMGDCC-KUHUBIRLSA-N 361.869 4.692 0 40 FJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72349624 VKXPRWNGGHVLHY-GOSISDBHSA-N 364.489 4.653 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CCN(Cc4cccc5cccnc45)C3)n2)cc1 72369983 MSDUWWYIJKGSRE-HXUWFJFHSA-N 370.456 4.583 0 40 FJAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(-c2ccccc2)cc1 89909819 LPPBHNVLJIEBCZ-KRWDZBQOSA-N 360.457 4.652 0 40 FJAB O=C(c1ccc(-c2cnco2)cc1)N1CCCc2cc(C(F)(F)F)ccc21 95351911 BNBIPAFVQWUZKB-UHFFFAOYSA-N 372.346 4.953 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2csc(-c3ccoc3)n2)o1 173548507 CAJRMCKNJYGTRC-GUYCJALGSA-N 370.474 4.847 0 40 FJAB Cc1c(C=O)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Cl)cc1 216925218 HTIRWUNYQOPKAU-UHFFFAOYSA-N 355.821 4.913 0 40 FJAB Cc1ccccc1[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)CCS1 219279301 GYNZDUPBTJHGAL-IBGZPJMESA-N 359.922 4.898 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSc1ccc(C)cc1 222947469 NQFWSQDBSFXOOC-IBGZPJMESA-N 357.519 4.678 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(C)c1 223490736 RAHTXPIZCJHJBP-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Br 390831528 SJBOKGJLSQJAIB-UHFFFAOYSA-N 356.219 4.639 0 40 FJAB Fc1ccc(CNC(=S)c2cccc(OCc3ccccc3)c2)cc1 408571721 DJWALSHLDBEMQE-UHFFFAOYSA-N 351.446 4.870 0 40 FJAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC1CCCCC1 409124397 HFGGTKUBDFHYRG-OQLLNIDSSA-N 351.855 4.662 0 40 FJAB CC(=O)N[C@@H]1C[C@H](c2ccc(Oc3ccccc3)cc2)O[C@@H]2CCC[C@@H]12 585261186 UKZZWOJOWZPJAY-DXBBTUNJSA-N 351.446 4.614 0 40 FJAB CCCCc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 585290547 YCERMUUKMCWKDC-YTFSRNRJSA-N 371.496 4.619 0 40 FJAB CCCCCC(=O)Nc1sc2c(c1C(=O)OCCC)CC[C@H](C)C2 2742753 ZOLMALUTGXDQHJ-ZDUSSCGKSA-N 351.512 4.959 0 40 FJAB Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 2782856 GSSQIWWORRLKRB-RYUDHWBXSA-N 360.177 4.614 0 40 FJAB CCCCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC 2889619 MHVHKZCEXVSTHJ-UHFFFAOYSA-N 351.855 4.984 0 40 FJAB C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(C(C)(C)C)cc1 4732702 AMSSBSIUPGBILX-OXQOHEQNSA-N 374.488 4.604 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 4815048 QLYSDBLCCBFADS-SFTDATJTSA-N 374.488 4.844 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1nc(C)c(C)s1 4849235 HJLFNHOSJKCICR-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB Cc1cc(NC(=O)c2cccc(F)c2)cc(-c2nc3ccccc3o2)c1O 4988522 DWPUMDDYGBWMGZ-UHFFFAOYSA-N 362.360 4.900 0 40 FJAB COc1ccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)cn1 5688823 XSHGUXMIDQCOKJ-UHFFFAOYSA-N 352.394 4.645 0 40 FJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccncc1 5756763 APJZOQBBGUYTAG-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB CCOCc1c(C(=O)Nc2nc3ccc(F)cc3s2)oc2ccccc12 6589106 OLEBRDIAYKFEQR-UHFFFAOYSA-N 370.405 4.970 0 40 FJAB CC(=O)Nc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccccc12 6662869 HGLBQMHMRSAQQM-UHFFFAOYSA-N 353.761 4.818 0 40 FJAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cccc(Cl)c1Cl 7878410 ZAZNDLPFWXDXJN-SNVBAGLBSA-N 355.290 4.613 0 40 FJAB FC(F)(F)c1nc(NCCOc2ccc(Cl)cc2)c2ccccc2n1 7989432 VKXKNCYRNQOGQW-UHFFFAOYSA-N 367.758 4.793 0 40 FJAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)c(Cl)c1 8369809 YKWJYAGFKYCWQX-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8869561 DGWCRLUUWNUYSJ-OAGJVSPASA-N 361.894 4.623 0 40 FJAB Cc1ccc(NC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 9111990 JWDDQWZAKHCCFD-FQEVSTJZSA-N 354.450 4.675 0 40 FJAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3Cl)cc2)on1 11085085 VGGNEGKWAKCYIB-ZDUSSCGKSA-N 371.824 4.868 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1ncoc1-c1cccs1 12115115 IGGRWLUMCPNKEC-UHFFFAOYSA-N 360.438 4.923 0 40 FJAB O=C(O)c1cc(-c2ccccc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396060 UVTKKLADIKINSU-UHFFFAOYSA-N 373.387 4.802 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc2ncsc2c1 12608307 GWCNHTFBRVAAPC-UHFFFAOYSA-N 357.866 4.802 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)c1 21579056 PUKMQNWMTMQBFW-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB CN(Cc1ccc(F)cc1F)C(=O)C1c2ccccc2Oc2ccccc21 22895555 CMYQNPOVNXIBPA-UHFFFAOYSA-N 365.379 4.861 0 40 FJAB O=c1oc(-c2ccc(F)cc2)nn1Cc1sc2ccccc2c1Cl 25855944 WWSMLJLFGBYEAU-UHFFFAOYSA-N 360.797 4.559 0 40 FJAB O=C(Nc1ccnn1C1CCCCC1)c1csc(-c2ccccc2)n1 32740744 RACRSHCYPWNSKS-UHFFFAOYSA-N 352.463 4.764 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCSc2ccccc21 32747493 FARYDXUVHVQRLL-UHFFFAOYSA-N 358.513 4.553 0 40 FJAB CCN(CC)CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 40152964 XDZYISUNUQSRPV-UHFFFAOYSA-N 358.313 4.579 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)cc(C)c1 41077067 ODNADHSUZAYPJR-UHFFFAOYSA-N 363.461 4.589 0 40 FJAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccc(Cl)c3)C2)o1 49170521 HBTMFJNJVFKNBP-AWEZNQCLSA-N 357.816 4.519 0 40 FJAB biogenic,in-vitro N#CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 51330569 RIEWJNZQWMELBG-AHJLJIKRSA-N 355.441 4.723 0 40 FJAB CC(C)(C)c1nnc(SCc2ccc(OCc3cccnc3)cc2)o1 58014148 ZEYNGPYAEQYKGX-UHFFFAOYSA-N 355.463 4.633 0 40 FJAB Fc1ccccc1Cc1cccc(C2CCN(Cc3ccccn3)CC2)n1 72348941 XULSEWSKMHLJJM-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349644 HFLVAAUHUHTIHM-LJQANCHMSA-N 366.480 4.708 0 40 FJAB COCc1cc(C)nc2sc(-c3nc4cc(Cl)ccc4o3)c(N)c12 78546471 QRRMRFVHTWACJG-UHFFFAOYSA-N 359.838 4.795 0 40 FJAB CSc1ccccc1C(=O)N(CCc1cccs1)Cc1ccoc1 90612328 HUFIWBMBXDFFEN-UHFFFAOYSA-N 357.500 4.948 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](C2CCCCC2)S1 96117811 DIRCOVAOEBNQQC-HOCLYGCPSA-N 363.527 4.725 0 40 FJAB C/C(=C\c1ccccc1)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100727103 AQKGRTSCYROUEQ-BJMJYPMESA-N 351.465 4.744 0 40 FJAB O=C(N[C@H]1CCSc2ccccc21)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 103201249 XIDJFIODDDAPIF-IYVXJEQJSA-N 361.938 4.918 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222958646 GOSPDIXFCPGEHU-PMACEKPBSA-N 368.550 4.771 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225660436 GRQXLFRXOLNYNQ-OAHLLOKOSA-N 370.518 4.516 0 40 FJAB CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1C 225814639 SBRPEOYGCFWACI-QGZVFWFLSA-N 351.368 4.660 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 302765931 HVKDUGLANRNDNI-UHFFFAOYSA-N 351.805 4.837 0 40 FJAB CCOc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OC 408621710 PFUISFQJYJTRMD-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccnn3[C@@H](C)C3CC3)C2)cc1 573631222 POWZJCHWNMFPIY-JTDSTZFVSA-N 352.482 4.572 0 40 FJAB C[C@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 584320508 XPRUSEDTPPQDGH-HNNXBMFYSA-N 360.457 4.630 0 40 FJAB c1ccc(-c2cnc(Nc3cccc(C[C@@H]4CCCNCC4)n3)s2)cc1 585263069 IJPJEGIQTOPFQR-MRXNPFEDSA-N 364.518 4.881 0 40 FJAB Cc1ccc(OCC(=O)Oc2ccc3ccccc3c2Br)cc1 673880 SQUYSMLUGZRUJC-UHFFFAOYSA-N 371.230 4.895 0 40 FJAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 1016809 RDLJKEIRIVQLET-SFHVURJKSA-N 350.805 4.925 0 40 FJAB O=C(O)c1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405125 MDLPSWQUYRKTPI-UHFFFAOYSA-N 365.389 4.500 0 40 FJAB CCCOc1ccc([C@@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 2294685 MAZZASHVOPNVPI-XZOQPEGZSA-N 353.506 4.779 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1c(Cl)cccc1Cl 2450918 ZVBMDATXWQJOIP-CFGKVWFZSA-N 373.283 4.631 0 40 FJAB CC[C@@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 2461042 QGWACIPPDXFALT-GFCCVEGCSA-N 363.460 4.658 0 40 FJAB Cc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3216368 XLUQFRSAUXSMDU-UHFFFAOYSA-N 371.864 4.642 0 40 FJAB Cc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1Cl 3274888 VQAAJSAYVYKJOJ-UHFFFAOYSA-N 351.262 4.570 0 40 FJAB Cc1sc2ncnc(SCC(=O)N(c3ccccc3)C(C)C)c2c1C 3286849 UURQOMJBNYWEGP-UHFFFAOYSA-N 371.531 4.842 0 40 FJAB Cc1cc(Br)c(NC(=O)C2CCCC2)c(Br)c1 3430675 HXQALARKMCOOPW-UHFFFAOYSA-N 361.077 4.649 0 40 FJAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 3455401 OEHXKBAAQVEHSM-UHFFFAOYSA-N 350.852 4.786 0 40 FJAB COc1cccc(/C=C/C(=O)N(c2ccccc2)c2nc(C)cs2)c1 3554685 ZJVABHGHYREHCW-VAWYXSNFSA-N 350.443 4.838 0 40 FJAB CCc1ccccc1NC(=O)CSc1ccc(Br)cc1 3609818 HVLQYOANMYZUFZ-UHFFFAOYSA-N 350.281 4.742 0 40 FJAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@@H](C)C3=O 3870582 HQVBDUZROQMWRN-NEPJUHHUSA-N 368.429 4.529 0 40 FJAB biogenic CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(Cl)cc3)nnc12 4169404 WVTSSCXGAONZSN-YJYMSZOUSA-N 373.909 4.675 0 40 FJAB CCCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 4195765 WOSIEMABWYOOLL-UHFFFAOYSA-N 362.429 4.839 0 40 FJAB CC[C@H](C(=O)Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1 4224420 LOVBMZRFTTXYQE-KRWDZBQOSA-N 363.486 4.751 0 40 FJAB CCOc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)c2ccccc12 4278970 IBBADNRQKJWFMR-UHFFFAOYSA-N 362.834 4.660 0 40 FJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCC1CCCCC1 4385658 CKNPDUOQTRXGJX-UHFFFAOYSA-N 355.526 4.712 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971291 ZUDVLCWHSCYNBQ-CQSZACIVSA-N 356.466 4.905 0 40 FJAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccco2)C1 5774320 FAXHJABHVNNAQT-IBGZPJMESA-N 356.381 4.742 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CCCCC3)o2)cc1 5795148 ZVIXXBVCMPFZFG-UHFFFAOYSA-N 373.522 4.575 0 40 FJAB Cn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1ccncc1 6137697 QCWYSAAHFASMFC-UHFFFAOYSA-N 374.469 4.962 0 40 FJAB Cc1ccc(CSCc2nnc(S)n2[C@H](C)c2ccccc2)cc1 6400734 PIPKRBNZCLUUIO-OAHLLOKOSA-N 355.532 4.918 0 40 FJAB COc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1F 6531997 JHSJTFDPAMGBKH-UHFFFAOYSA-N 369.465 4.644 0 40 FJAB COc1ccc(-n2c(SC[C@@H]3CCCCO3)nc3ccccc32)cc1 6553050 LVQDPTCHVBPPCO-KRWDZBQOSA-N 354.475 4.695 0 40 FJAB COc1cc(NC(=O)Nc2cccc3ccccc23)cc(OC)c1OC 6641395 LIUULAKUWSFMCJ-UHFFFAOYSA-N 352.390 4.510 0 40 FJAB COc1cc(Br)c(/C=C/c2nc3ccccc3s2)cc1O 6789242 WRAAXPWCKCGEMW-VOTSOKGWSA-N 362.248 4.943 0 40 FJAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(Cl)c(Cl)c1 7601535 IJQFTQXVYGHPSB-UHFFFAOYSA-N 351.262 4.658 0 40 FJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c(C)c1 7796227 UJOCUVULTCGBCZ-UHFFFAOYSA-N 366.442 4.716 0 40 FJAB COc1ccc2cc(CN[C@H](C)c3ccc(-n4ccnc4)cc3)ccc2c1 7984350 NGCXNTIJDDFEPB-QGZVFWFLSA-N 357.457 4.885 0 40 FJAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 9134872 PPAXXCXBJMEKCA-UHFFFAOYSA-N 374.396 4.614 0 40 FJAB c1ccc(CCSc2nc3ccccc3c3nc(-c4ccco4)nn23)cc1 9938023 MTXDGILRVYZKHO-UHFFFAOYSA-N 372.453 4.872 0 40 FJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(Cl)cc1)N(C)C3=O 10233094 ZEPJXCLWUFACPG-INIZCTEOSA-N 374.223 4.583 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(C)C)c(C)c2)cc1 12737790 HIGGHCLTASEYAK-JOCHJYFZSA-N 367.489 4.870 0 40 FJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccc1 12908285 TUYZLZUSJTWSIA-OAHLLOKOSA-N 356.274 4.519 0 40 FJAB COc1ccc(Cl)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 15016068 XPAWKIXEULNEGZ-QPEQYQDCSA-N 364.626 4.604 0 40 FJAB COc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20041507 PMGAJRSEDYXCLZ-UHFFFAOYSA-N 358.441 4.510 0 40 FJAB CCC[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 25380768 GGUZNMWDBFDWPA-XWARPOEQSA-N 355.522 4.838 0 40 FJAB CC(C)(C)c1ccc(CN(C(=O)COc2ccccc2)c2ccccn2)cc1 27793976 HCHMAFSUUWRMLD-UHFFFAOYSA-N 374.484 4.991 0 40 FJAB CCOc1cccc2cc([C@H](C)NC(=O)NCCc3ccc(F)cc3)oc12 32754915 QCKVJAGEPINDRV-AWEZNQCLSA-N 370.424 4.574 0 40 FJAB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)oc2c1C(=O)CC(C)(C)C2 32932266 QBEKJKQSUDQGLE-ZDUSSCGKSA-N 357.425 4.715 0 40 FJAB Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccccc2)c1 36246996 YUFDWHGOYJUEDN-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB CC(C)c1ccc(CN(C(=O)c2cccc(Cn3ccnc3)c2)C2CC2)cc1 36391711 SNMZHTXMIADBBU-UHFFFAOYSA-N 373.500 4.860 0 40 FJAB Brc1ccc([C@H]2NN2c2nc(-c3ccccc3)cs2)cc1 41104839 JQVOUYQUIGROCK-OOJLDXBWSA-N 358.264 4.596 0 40 FJAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 57216644 XLWIPZAYUDQESA-UHFFFAOYSA-N 373.880 4.814 0 40 FJAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(-c2ccc(F)cc2)s1 58291613 RXSGLMHBHSIUQT-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OC1CCCC1)CC(O)=N2 61720001 OYTNCHYVLIRLDZ-ZDUSSCGKSA-N 373.478 4.638 0 40 FJAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72214265 WVHOKNPKCRIKRJ-NRFANRHFSA-N 357.457 4.827 0 40 FJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 79444126 RIGNPVQUXDGNOW-ZOBUZTSGSA-N 356.432 4.838 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccco2)C[C@@H](c2cccc(Cl)c2)C1 102571038 GBTLVGGSIVPMPM-XIKOKIGWSA-N 366.808 4.590 0 40 FJAB CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928160 GQXZPRCPDHVBKD-KKYFFNGPSA-N 362.554 4.958 0 40 FJAB Cc1c(C(=O)NCC(C)(C)c2ccccc2F)n(C)c2ccc(Cl)cc12 141596817 DFYLSADAURFXNV-UHFFFAOYSA-N 372.871 4.987 0 40 FJAB Cc1nc2ccc(Cl)cn2c1-c1nnc(Cc2ccc(Cl)cc2)o1 216616135 MQSOUECDCDHBCV-UHFFFAOYSA-N 359.216 4.590 0 40 FJAB Cn1c(=O)sc2cc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc21 225020590 RBRQNZISRGCNKN-KPKJPENVSA-N 366.486 4.549 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225157513 QWHYSYHYTLQVJM-UHFFFAOYSA-N 370.474 4.683 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1C 225477402 WPMBJCANSITBTP-INIZCTEOSA-N 370.518 4.836 0 40 FJAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCCCCC1 225888812 LPDCKINRCAARLD-UHFFFAOYSA-N 370.493 4.948 0 40 FJAB CN(Cc1cccn1-c1ccccc1)C(=O)c1ccc2oc(Cl)nc2c1 225984609 BKLIQTSHYGTBEV-UHFFFAOYSA-N 365.820 4.544 0 40 FJAB CCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 408628580 VCFIBDWWTFJPPC-UHFFFAOYSA-N 367.474 4.725 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)o1 677061266 OOCUVIHPKJUVMO-MRXNPFEDSA-N 371.481 4.504 0 40 FJAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775979177 ZXWIBBXTGCXADO-GOSISDBHSA-N 352.459 4.579 0 40 FJAB Cc1ccc(-c2csc(N(C)C(=O)COc3ccc(Cl)cc3)n2)cc1 932648 XARJSVWHTJQZMS-UHFFFAOYSA-N 372.877 4.814 0 40 FJAB Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c(C)c1 1026445 VQYNFJPTAIONTN-UHFFFAOYSA-N 374.469 4.810 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 1208870 CAFHYASQUYBMDC-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB CC[C@@H](c1cccc(Br)c1)[C@@H](C(=O)O)c1ccc(OC)cc1 1609002 DUKFXBHKTLPGGV-IRXDYDNUSA-N 363.251 4.820 0 40 FJAB Cc1c2c(cc3c1OCN(C1CCCCC1)C3)CN(C1CCCCC1)CO2 1639728 KNHRUHSCUJVWJI-UHFFFAOYSA-N 370.537 4.964 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)Cc2cccc3ccccc23)cc1 2177984 WTKWXJQFEOYABM-UHFFFAOYSA-N 361.485 4.875 0 40 FJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccc(F)cc1 3310376 PIDVSXKGMHAWBK-UHFFFAOYSA-N 350.345 4.658 0 40 FJAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 3533559 FPNSQFPXDDGZNV-UHFFFAOYSA-N 353.447 4.546 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 4069836 VDANFBQXJIQYEQ-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2 4079167 ARTGNFIIXUKJOH-UHFFFAOYSA-N 369.412 4.656 0 40 FJAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CCC)C2 4144754 OGRDPAHAUWELFK-KBPBESRZSA-N 364.555 4.907 0 40 FJAB COc1ccc([C@@]2(C)c3ccccc3C(=O)C(C)(C)[C@]2(C)CC(=O)O)cc1 5064445 DSSXQPRTMCFSOF-GOTSBHOMSA-N 366.457 4.705 0 40 FJAB O=C1[C@@]2(CCC[C@@]13N=NC[C@H]3c1ccccc1)N=NC[C@H]2c1ccccc1 5554863 GJFCAYFWCNOHCA-LGGPRVQUSA-N 358.445 4.716 0 40 FJAB COc1ccc(-c2cc(C)nc(SC(=O)c3ccc(F)cc3)n2)cc1 5725057 WCHVTRHPEKPEBW-UHFFFAOYSA-N 354.406 4.532 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 6306850 IKLSRYBSTJPLKX-CYBMUJFWSA-N 362.267 4.980 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1COc1ccccc1 6604671 DQLBILYYLBJJBU-QGZVFWFLSA-N 361.441 4.765 0 40 FJAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 6652213 MPZABDNPXULLOF-MRXNPFEDSA-N 374.440 4.564 0 40 FJAB Clc1ccc(C2=Nn3c(CSc4ccccc4)nnc3SC2)cc1 6760111 NDGIUMWGNIBOHV-UHFFFAOYSA-N 372.906 4.582 0 40 FJAB O=C(CCOc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 7736805 GREYXWKMLXSSEY-FQEVSTJZSA-N 355.434 4.562 0 40 FJAB Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1cccnc1 8342963 ZYCGNWWIVSIMJK-UHFFFAOYSA-N 358.470 4.836 0 40 FJAB O=C(C1CCCCC1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 9215644 WCSODPBSGRZIDH-UHFFFAOYSA-N 366.505 4.770 0 40 FJAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 9889125 NCBBCEDVXMTMPO-UHFFFAOYSA-N 368.546 4.503 0 40 FJAB Cc1csc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)n1 12321297 QDBXCOAZMWOMLK-UHFFFAOYSA-N 368.487 4.721 0 40 FJAB CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 12460438 XWKIYWZVKOLWIR-UHFFFAOYSA-N 361.898 4.590 0 40 FJAB COc1ccccc1CC(=O)Nc1nc2c(C(F)(F)F)cccc2s1 12790548 YSXOOHGQEQTPED-UHFFFAOYSA-N 366.364 4.505 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)s1 12791512 VRTDTGSRLGXXJO-UHFFFAOYSA-N 353.472 4.939 0 40 FJAB CC(=O)c1ccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 13730020 YOVSEIGVLJQWMK-UHFFFAOYSA-N 361.426 4.542 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1F 14136823 QXYIXISUJJWBPR-SNVBAGLBSA-N 364.442 4.570 0 40 FJAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1C 16101060 GSHHYXSYGDLDEB-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2ccccc2)cc1Cl 18162788 CVXJRXOJCACADP-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB Cc1csc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@@H](C)O3)n1 19240236 CYHJYUDJHSLAKL-KDOFPFPSSA-N 370.543 4.910 0 40 FJAB Brc1ccc2ncc(Br)c(Br)c2c1 19721715 XMJAETADNKVXHP-UHFFFAOYSA-N 365.850 4.522 0 40 FJAB COc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](C)C2 20672224 XKSVBLOWYYLSLB-CYBMUJFWSA-N 365.408 4.529 0 40 FJAB COc1ccc2cc(CN(C)C(=O)C3(c4ccc(F)cc4)CC3)ccc2c1 23020731 QQEBTJBFNXNRHT-UHFFFAOYSA-N 363.432 4.678 0 40 FJAB O=c1c2scc(-c3cccc(Cl)c3)c2ncn1Cc1ccccc1 23126537 GHHZMBXOGJZSKT-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc(F)c3)c(C)c12 32901286 UZJDXWHLIIRXBJ-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB C[C@@H]1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)c2ccccc2S1 33162988 LDCMKYHFAZFKNE-CQSZACIVSA-N 373.522 4.607 0 40 FJAB O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cccc(Cl)c1 40106722 DAYSDPJIGGESEX-UHFFFAOYSA-N 364.832 4.522 0 40 FJAB C[C@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)c1c[nH]c2ccccc12 40151918 LTROHORZICTUNH-ZETCQYMHSA-N 355.262 4.514 0 40 FJAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCC2 45932896 HJVBKMYBHIWUPB-UHFFFAOYSA-N 370.424 4.508 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(N2CCCC2)CC1 47325872 TWJIGVDLXBUOEH-UHFFFAOYSA-N 365.477 4.571 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)NC1(c2ccc(F)cc2)CCCC1 58343437 LPOHTHQVMSZIKT-UHFFFAOYSA-N 352.331 4.834 0 40 FJAB Cc1ccccc1-c1csc(-c2nnn(-c3ccc(F)cc3)c2C)n1 67341602 HDIPIWIWITXSRC-UHFFFAOYSA-N 350.422 4.814 0 40 FJAB Cc1ccccc1-c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889735 HSQYYLWUJTXBOG-UHFFFAOYSA-N 354.837 4.795 0 40 FJAB Cc1nc(S(=O)(=O)[C@@H](C)c2ccccc2F)n(C2CCCCC2)c1C 95373527 ZBVANGGUXAIAQP-HNNXBMFYSA-N 364.486 4.679 0 40 FJAB O=C(Nc1ccccc1)O[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 96190114 WTKITBQFYSWHSG-HXUWFJFHSA-N 358.397 4.523 0 40 FJAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 116694424 RESLIIKYLIJSGF-SANMLTNESA-N 371.433 4.525 0 40 FJAB CC(C)c1ncc(Cl)c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 122635466 IJNSONHUAICANB-UHFFFAOYSA-N 372.856 4.944 0 40 FJAB Nc1nnc(-c2ccc(OCc3cccc4ccccc34)c(Cl)c2)o1 216852976 QKODGJBLJPGQKW-UHFFFAOYSA-N 351.793 4.704 0 40 FJAB O=C(COc1cccc2ccccc12)NCCCc1ccc(Cl)cc1 218911515 ZBZXMXSTBWLRSX-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)ccc1Cl 222849146 JJWHCHCLZJORIY-CQSZACIVSA-N 366.288 4.818 0 40 FJAB CCCCOCc1cc(C(=O)Nc2cccc(OC)c2)ccc1OCC 224727977 GCUPSDVTAXSHGW-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB COC(=O)c1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1C 225328088 VYIXZLRORZUUQS-UHFFFAOYSA-N 366.244 4.660 0 40 FJAB COc1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 225497650 QXQWYRRMPBQCMU-LJQANCHMSA-N 358.507 4.778 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225885610 GDHOHRBIMQKGLI-ROUUACIJSA-N 351.490 4.827 0 40 FJAB Cc1csc(-c2cccc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)n1 257306051 SSRNGPKCTFGEAO-CQSZACIVSA-N 359.495 4.628 0 40 FJAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1Cl 408531711 WZPIQOPDAYEDRC-UHFFFAOYSA-N 363.175 4.809 0 40 FJAB CCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)c2ccccc21 409122174 ZYMRBAUZYXWKHT-VBKFSLOCSA-N 372.262 4.755 0 40 FJAB CCCSCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 504734567 ZMXDWXNVIDESJC-UHFFFAOYSA-N 360.426 4.618 0 40 FJAB Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)nc(-c2ccncc2)n1 509475264 IRHUHLNWSUQIRU-WKCHPHFGSA-N 356.473 4.762 0 40 FJAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1 585140401 CXOPHQDZOQCVOK-SNVBAGLBSA-N 363.866 4.867 0 40 FJAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C(F)F)nc1 622922942 BFIZXLAGMYYOSB-UHFFFAOYSA-N 370.403 4.755 0 40 FJAB O=C(NCC1CCC(c2ccccc2)CC1)N1CCC(c2ccon2)CC1 664042675 GHVBBDHRJMFITK-UHFFFAOYSA-N 367.493 4.538 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)Cc1cccc(O)c1Br 1140550040 CEEPBOLQQTVKPO-UHFFFAOYSA-N 374.200 4.806 0 40 FJAB COc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2S)cc1OC 1889298686 FSMODXVUNQLNMT-UHFFFAOYSA-N 358.488 4.772 0 40 FJAB CCc1cc2c(=O)c(-c3ccc(Br)cc3)coc2cc1OC 630415 XKANEMGKQYTWGN-UHFFFAOYSA-N 359.219 4.794 0 40 FJAB biogenic O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1cccnc1Cl 2157144 KXLDAIDDLUHIQB-UHFFFAOYSA-N 353.592 4.809 0 40 FJAB Cc1ccc(C)c(C(=O)COC(=O)CCSc2ccc(Cl)cc2)c1 3332739 OIZREDBZCMZMSJ-UHFFFAOYSA-N 362.878 4.865 0 40 FJAB CCc1ccc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 3359853 VWJMVXNLWDWTOC-UHFFFAOYSA-N 366.273 4.574 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)C1CC1 4162553 HTCCKMZRFWTEMX-UHFFFAOYSA-N 354.793 4.687 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)C1CC1 4342011 UJWCQQBSOBHPBU-UHFFFAOYSA-N 372.783 4.826 0 40 FJAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4853938 ICGWILJVOKAAHS-XUZZJYLKSA-N 368.436 4.748 0 40 FJAB CC(C)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 5019093 UGFFYDMHSXVYOQ-UHFFFAOYSA-N 354.431 4.881 0 40 FJAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 5403725 NHBAGBYABFQRQE-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB COc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1Cl 7094297 GKEZUXUSOYTHBD-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB c1ccc(Cn2c(SCc3nc4ccccc4o3)nnc2C2CC2)cc1 8129269 HVJVHRUPWKNYNW-UHFFFAOYSA-N 362.458 4.637 0 40 FJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCCCCC1 8191785 CSEVFLDCFOIWLM-UHFFFAOYSA-N 359.473 4.864 0 40 FJAB Cc1ccc(CSc2nc(CC(=O)NCc3ccccc3)cs2)cc1 8936252 SMMOVDSITTUEPL-UHFFFAOYSA-N 368.527 4.603 0 40 FJAB Cc1ccn2c(NC(=O)c3cc(C)oc3C)c(-c3cccs3)nc2c1 9516066 MRZDFZFCPXODLU-UHFFFAOYSA-N 351.431 4.833 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C)c1 14609391 PDBTYFUHMSDTAW-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB O=C(CCCSc1nc(/C=C/c2cccs2)n[nH]1)c1ccc(F)cc1 14809463 IYAOUZNHURGTJV-MDZDMXLPSA-N 373.478 4.931 0 40 FJAB COc1ccc(-n2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1 14960168 BKPVVDBRFNVSGT-UHFFFAOYSA-N 366.446 4.518 0 40 FJAB CCOC(C[C@@H](Cc1ccccc1)P(=O)(OCC)OCC)OCC 15020462 YTUGDFXSYQEFLV-QGZVFWFLSA-N 358.415 4.653 0 40 FJAB O=C(O)c1sc2c(c1-c1ccccc1)N=C(O)C[C@@H]2c1cccc(O)c1 15082265 ALGTZIVRKUIJIA-CQSZACIVSA-N 365.410 4.943 0 40 FJAB Cc1ccc(CN(Cc2ccncc2)Cc2cccn2-c2ccccn2)cc1 19210175 TXXMWVCFFSWUIL-UHFFFAOYSA-N 368.484 4.778 0 40 FJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccnc(Cl)c1 21637983 HXTQSUVQNHXLFC-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB CCCOc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1OCCC 22190649 CRYQADYOVWDHSI-INIZCTEOSA-N 360.281 4.787 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 22515857 VJOZYILYLDJOHQ-HRAATJIYSA-N 351.490 4.945 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)cc1 22531689 VAXRETSKYPVYPO-OXQOHEQNSA-N 355.478 4.853 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 22989867 INNWWLQZURJGAP-UHFFFAOYSA-N 357.335 4.728 0 40 FJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)c(C)c2)c1 26805300 OTVNRCVGVFMYFN-STZFKDTASA-N 374.440 4.614 0 40 FJAB Cc1ccc(CNC(=O)c2ccc(COc3cccc4ccccc34)o2)o1 28223706 LHJBGLQBKNRQNQ-UHFFFAOYSA-N 361.397 4.843 0 40 FJAB O=C(CSCc1csc(-c2ccco2)n1)Nc1ccc(F)c(F)c1 31420312 GKQONGOXVREJFL-UHFFFAOYSA-N 366.414 4.553 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(Cl)ccc2Cl)c1 32610143 MKOYLHGZQVDMPH-SNVBAGLBSA-N 354.233 4.502 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)c1cccs1 32970912 XGNYQLIWMGGXIP-SFHVURJKSA-N 366.486 4.573 0 40 FJAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 37210486 SJXCNUPMHXAXBS-HXUWFJFHSA-N 368.527 4.704 0 40 FJAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3C)CC2)c(C)c1 39752657 LYIGVNKHVGFGNN-UHFFFAOYSA-N 350.506 4.771 0 40 FJAB COc1cccc([C@H]2CCCN2C(=O)c2cccc(Cl)c2Cl)c1 40034401 FGVCPRNLFVDAEE-MRXNPFEDSA-N 350.245 4.979 0 40 FJAB CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1CCc2ccccc21 40049904 QFIXLLPQKINZPN-KRWDZBQOSA-N 373.378 4.875 0 40 FJAB CCN(CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(Cl)cc1 40069040 QCEXSNMSBQHSEM-UHFFFAOYSA-N 373.928 4.523 0 40 FJAB Clc1cccc2sc(NNCc3ccc(Br)cc3)nc12 40542201 MGUNRJMVCXJLMM-UHFFFAOYSA-N 368.687 4.829 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1c(Cl)ccc2nsnc12 57313528 LBBDBFCKDHSHKZ-UHFFFAOYSA-N 370.286 4.729 0 40 FJAB Cc1ccc2c(CN3CCn4cccc4[C@H]3c3ccccc3)cc(=O)oc2c1 58016540 TZPUPPNCHIBFQW-XMMPIXPASA-N 370.452 4.508 0 40 FJAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(-c2nccs2)cc1 58081461 FKENXPGDANJBDV-RHSMWYFYSA-N 359.495 4.527 0 40 FJAB C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc2ccccc12 58149307 HJOPRBMEJUOYGO-LBPRGKRZSA-N 358.363 4.546 0 40 FJAB Cn1cccc1CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CC1 62150594 IJMSRTSHFVECHR-UHFFFAOYSA-N 358.485 4.738 0 40 FJAB Cc1ccccc1CN(C)C(=O)Nc1ccc(Oc2ncccn2)cc1C 65483289 ASYMDMMCZRWPGC-UHFFFAOYSA-N 362.433 4.550 0 40 FJAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)CC(C)C)c(C)c3s2)n1 72228550 LJXUEEQRVFPJGL-UHFFFAOYSA-N 356.495 4.700 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 72229841 ILOKIPODSZOXSV-HXUWFJFHSA-N 351.833 4.982 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219470193 ODZFBMHWCSWFFJ-QGZVFWFLSA-N 372.468 4.766 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1cnc(-c2ccc(F)cc2)nc1 222613650 HEDAMBOYXHMKKD-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB Cc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)c(C)c1 223418570 WSKTUEPFPVAHQG-UHFFFAOYSA-N 363.910 4.634 0 40 FJAB CCc1ccc(CC)c(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224994128 UEXFNDDCSRNLHA-UHFFFAOYSA-N 359.897 4.939 0 40 FJAB Cc1ccc(S[C@H](Cc2cccc(Br)c2)C(=O)O)cc1 225064460 KTZINVFQSIKTKD-OAHLLOKOSA-N 351.265 4.546 0 40 FJAB O=C(Cc1ccccc1F)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225444013 IHPYTKRBFNMIKD-LJQANCHMSA-N 353.437 4.711 0 40 FJAB CCOc1ccc(CCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225623047 SEWDJOCVLMPAGG-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB C[C@H](O)c1ccc(C2(CNC(=O)Nc3ccccc3F)CCCC2)s1 225685828 HHYKKFHTBFVAHY-ZDUSSCGKSA-N 362.470 4.574 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)cc1C 225715120 DXRBTKQEDMVANM-GOSISDBHSA-N 370.518 4.836 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 408650444 BFPABQHQUUDQHD-ZWKOTPCHSA-N 365.473 4.775 0 40 FJAB CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409064589 HPRNMXZLOYPDKN-GXDHUFHOSA-N 366.364 4.552 0 40 FJAB Fc1ccc2c(C3CCN(Cc4scnc4C4CC4)CC3)noc2c1 583115869 DYGBRAKTDPNYHN-UHFFFAOYSA-N 357.454 4.680 0 40 FJAB C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cnc2cnccc2c1 650295807 RSDHUWLRPVOFFX-NRFANRHFSA-N 365.864 4.521 0 40 FJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1C 673468 AWPSKVBVYSBDFX-UHFFFAOYSA-N 369.417 4.902 0 40 FJAB Cc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(N(C)C)cc1 932890 KFMWJTGGYIMYDV-UHFFFAOYSA-N 365.502 4.648 0 40 FJAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 2132700 LKOAALDQELDYMU-BGJURXJTSA-N 358.522 4.898 0 40 FJAB biogenic Cc1cc(C)c(NC(=O)CSc2nccn2-c2ccc(F)cc2)c(C)c1 2723653 MIQWISFQUFGWFA-UHFFFAOYSA-N 369.465 4.667 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)Sc1nc2ccccc2o1 3104135 DHGJULPFTDHIKC-UHFFFAOYSA-N 354.214 4.832 0 40 FJAB COc1cccc(NC(=O)[C@H](Nc2ccc3c(c2)CCC3)c2ccccc2)c1 3291411 GRZUQFXGDAEPGO-HSZRJFAPSA-N 372.468 4.976 0 40 FJAB FC(F)Sc1ccc(NC(=S)NCCCc2ccccc2)cc1 3327549 OEWDZGRMDUIXNI-UHFFFAOYSA-N 352.475 4.921 0 40 FJAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(N2CCCC2=O)cc1 3355555 ZBNZZJZLRZPMSE-UHFFFAOYSA-N 371.392 4.932 0 40 FJAB CCOc1ccc2oc(C(=O)OCCOc3ccccc3C)c(C)c2c1 3455487 RGLSQGVUUATZEE-UHFFFAOYSA-N 354.402 4.684 0 40 FJAB O=C(C1CCCCC1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273189 QTKNMWPRIAHBLL-UHFFFAOYSA-N 369.465 4.944 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(NC(=O)c2ccccc2)c1 4696259 QKAAVZQPIUQEHV-SFHVURJKSA-N 372.468 4.690 0 40 FJAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4903132 HVHZSWAUXTZNQS-GOSISDBHSA-N 361.489 4.974 0 40 FJAB C/C1=C\[C@H](O)[C@H](C(C)C)[C@H](OCC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 5638782 HDAGALPNSCGMSL-DAHLUULSSA-N 372.505 4.670 0 40 FJAB CCOc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(F)cc1)=N2 6601934 JXUGQHXKZALMOK-UHFFFAOYSA-N 373.431 4.967 0 40 FJAB COc1ccc(-c2nc(C)c(C(=O)NCCC3=CCCCC3)s2)cc1 6764533 QNBAGALVZKKZNZ-UHFFFAOYSA-N 356.491 4.747 0 40 FJAB CCOC(=O)c1c(CSc2nc(C)cs2)nc2ccccc2c1C 7196398 XBLDWAPRGRYNRS-UHFFFAOYSA-N 358.488 4.777 0 40 FJAB Cc1cc2nc(Oc3cccc(Br)c3)c3ccccc3n2n1 7737796 ZOIOFZGSMOWVPD-UHFFFAOYSA-N 354.207 4.746 0 40 FJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1(c2ccccc2)CC1 7738448 WHKTUCIGMFBRHO-UHFFFAOYSA-N 353.425 4.900 0 40 FJAB CC[C@H](C)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 7779761 NOVPRVHADVVYKG-INIZCTEOSA-N 374.506 4.562 0 40 FJAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 8575112 CZIZMAYPYWIYOT-XDOYNYLZSA-N 351.475 4.736 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)c1sc(-c2ccccc2)nc1C 10542575 VIJUBWLZUWBAFY-UHFFFAOYSA-N 364.470 4.720 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842093 KCBOQRBAUHOLEP-OAHLLOKOSA-N 365.477 4.598 0 40 FJAB Cc1ccc(NC(=O)CNc2ccc(Br)cc2F)c(Cl)c1 11724730 LWZXXWQCUFMBLF-UHFFFAOYSA-N 371.637 4.601 0 40 FJAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1CCc1cccs1 12564154 JDQMHARBRSIFRL-UHFFFAOYSA-N 363.486 4.642 0 40 FJAB CC(C)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 12979692 FPOLEHBLOJLVCJ-CQSZACIVSA-N 368.456 4.766 0 40 FJAB CCc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 13000969 QPWXYWSYUASTQF-UHFFFAOYSA-N 350.443 4.815 0 40 FJAB S=C(NCc1ccccc1)c1nc2ccccc2nc1-c1ccccc1 16480035 OTRRUAOOGOGVSF-UHFFFAOYSA-N 355.466 4.762 0 40 FJAB O=C(Nc1ccc(-c2nnc(S)o2)cc1)c1ccc(Cl)cc1Cl 16849825 MAXUOIRSLOSAFD-UHFFFAOYSA-N 366.229 4.584 0 40 FJAB CN(Cc1cccs1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 18081630 OUQSOMDLBVGMLN-UHFFFAOYSA-N 359.454 4.631 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1Br 20430117 FPBTVFQHDYJPCA-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB CCCOc1ccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)cc1 21524378 HIDNJVHUCYXVLU-UHFFFAOYSA-N 350.418 4.619 0 40 FJAB CSc1ccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 21710687 CPMPIOHDRDTHNO-HNNXBMFYSA-N 359.516 4.932 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(OC)cc1 22528473 NXIFZXJRFIMRHX-WOJBJXKFSA-N 355.478 4.737 0 40 FJAB Cc1ccc(NC(=S)NCCCCOc2ccc(Cl)cc2)cc1F 24045528 OVZPTBDOSOMWBW-UHFFFAOYSA-N 366.889 4.933 0 40 FJAB Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 29098477 QBMIBJSHSGGZNC-ZDUSSCGKSA-N 353.853 4.540 0 40 FJAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cs2)o1 31271997 PSFOTEWPXSNVIT-MRXNPFEDSA-N 352.459 4.559 0 40 FJAB CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 34336963 IFDPLCRWEBQEAJ-RBRWEJTLSA-N 356.506 4.999 0 40 FJAB in-vitro CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 36611885 NRJXMJQLBQRULH-ZDUSSCGKSA-N 350.487 4.638 0 40 FJAB O=C(Nc1cccc2c1CCCC2)N(Cc1cccs1)C[C@H]1CCCO1 40098143 HFQVYQKNJXQZTK-QGZVFWFLSA-N 370.518 4.840 0 40 FJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 44935798 IPVHGRBOBASPLL-QFIPXVFZSA-N 368.496 4.614 0 40 FJAB CC[C@@H](NC(=O)N[C@H](CC)c1ccc(OC)cc1)c1ccc(OC)cc1 48324858 LBJGITJSOSMDDR-WOJBJXKFSA-N 356.466 4.605 0 40 FJAB CCc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 58378117 OVCOBOPPJGEBPC-OAQYLSRUSA-N 360.413 4.811 0 40 FJAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1cccc(OC(F)F)c1 58951221 ZVDHLZQSEHYVCN-AWEZNQCLSA-N 355.384 4.861 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)[C@H]1CCCO1 66283077 TVUQQHVOKQKEMK-MRXNPFEDSA-N 351.324 4.615 0 40 FJAB Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348813 DAAOXGYLNRULDR-QFIPXVFZSA-N 357.501 4.755 0 40 FJAB Brc1cncc(-c2nc3ccc(Br)cc3s2)c1 73638653 MTLMVRIXHFPXKW-UHFFFAOYSA-N 370.069 4.883 0 40 FJAB C[C@@H]1C[C@@H](C)CN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 84686333 PSDUDXVPEIIHAG-ZIAGYGMSSA-N 367.415 4.666 0 40 FJAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(C)[C@@H](C)c1ccco1 92193663 HBTXYXFEFOIGFN-ZDUSSCGKSA-N 358.829 4.652 0 40 FJAB CC[C@](C)(NC(=O)Nc1ccc(F)cc1-n1cccc1)c1nccs1 95466958 BYIPIENZYNWRFR-SFHVURJKSA-N 358.442 4.520 0 40 FJAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 100561191 FJAQRJUALMXVGH-QGZVFWFLSA-N 357.244 4.949 0 40 FJAB C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 101741532 XGHRSOOIFQRQQF-ACIOBRDBSA-N 374.528 4.809 0 40 FJAB O=C(Nc1ccccc1N1CCCC1)N1CC=C(c2cccs2)CC1 118009240 DRTKNZDCLWFCHH-UHFFFAOYSA-N 353.491 4.670 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1C 222968815 HUFSPTWFUQTWRC-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB CCOc1cccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225331230 DKFAPSHPUAGNDG-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccccc1 225346078 IFTDTAUGYWRHOC-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225351143 DEDKHZFSMDYGAS-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB COc1ccc([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225355208 WZWHCMOYCNQFML-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB Nc1ccc(Nc2cc(Cl)cc(Cl)c2)c(C(=O)N2CCCC2)c1 225476883 WRMRTWWXDLVAMA-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB COc1cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc(OC)c1OC 226247699 DCOOLHSLYUSYTN-UHFFFAOYSA-N 364.401 4.620 0 40 FJAB Cc1ccc(-c2cc3[nH]c(C)c(Cc4ccc(Cl)cc4)c(=O)n3n2)cc1 409068668 HNFWQSSCKDXQSD-UHFFFAOYSA-N 363.848 4.551 0 40 FJAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)c(Cl)c1 409205662 DSFNKLCPLMQPRO-QOCHGBHMSA-N 374.868 4.904 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H]3CCC[C@@H]3C)cccc2c1=O 729661298 GOXYCVQFJVXXJG-LIRRHRJNSA-N 361.441 4.687 0 40 FJAB COC(=O)c1cnc(Sc2nc3cc(C)ccc3s2)c(Cl)c1 1164185541 KVXHUENFAJLRPB-UHFFFAOYSA-N 350.852 4.591 0 40 FJAB CCOc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)c1 669057 RLBKQEPLLZSKCP-QFIPXVFZSA-N 374.440 4.865 0 40 FJAB O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1300913 RVPMKGRWAQVVAK-HNNXBMFYSA-N 356.834 4.986 0 40 FJAB Fc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 2688940 GHVCEYBOCXNETQ-UHFFFAOYSA-N 369.403 4.696 0 40 FJAB Cc1sc2nc(-c3cccnc3)nc(N3CCc4ccccc4C3)c2c1C 3326510 UDXJLBWLEASCLB-UHFFFAOYSA-N 372.497 4.933 0 40 FJAB Cc1ccc2nc(-c3ccccc3O)c(Nc3ccc4c(c3)OCCO4)n2c1 4038723 MFWFIYVSPBVPOS-UHFFFAOYSA-N 373.412 4.530 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 4668957 UMBZPWIFPBYEJM-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB COc1cc([C@H]2O[C@H]3CCCC[C@@H]3c3sccc32)cc(OC)c1OC 4784312 MKYPUXHLVJDKEN-DHSIGJKJSA-N 360.475 4.920 0 40 FJAB COc1cc(CNCc2cccs2)ccc1OCc1ccc(F)cc1 5019720 MHUXEFIIKSIFJN-UHFFFAOYSA-N 357.450 4.765 0 40 FJAB Cc1cc(C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c(C)s1 5320847 WIZPHSFJPRZUQS-UHFFFAOYSA-N 362.834 4.695 0 40 FJAB COc1ccc(Nc2ccc(NC(=S)NCc3ccccc3)cc2)cc1 5693310 RDAPKJZORLCSSP-UHFFFAOYSA-N 363.486 4.925 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)oc1ccccc12 5704888 JFICJJZSJRDUMS-UXBLZVDNSA-N 357.365 4.967 0 40 FJAB Cn1c(=O)cc([C@H]2O[C@H]3CCCC[C@H]3c3sccc32)c2ccccc21 6667979 MZUCILPNLOGHPD-WNYOCNMUSA-N 351.471 4.746 0 40 FJAB Cc1ccc(C)c(Sc2ccc(NC(=S)NC[C@@H]3CCCO3)cc2)c1 6830364 MLTHBZZGDQBKSZ-KRWDZBQOSA-N 372.559 4.920 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)Cc3ccccc3F)c2cc1C(C)C 6839803 LHMXKEACNLNDNB-UHFFFAOYSA-N 368.404 4.650 0 40 FJAB Cc1ccc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1 6922366 VEFCXSRONBIBNO-NOCBQHASSA-N 370.562 4.513 0 40 FJAB Cc1ccc(-c2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)c(C)c1 8298027 IYRSNMFDAGVUFC-UHFFFAOYSA-N 360.482 4.929 0 40 FJAB O=C(COc1ccc2ccccc2c1)N[C@H](c1ccccc1)c1ccco1 9051461 HHBWEBBWCLGALB-HSZRJFAPSA-N 357.409 4.717 0 40 FJAB CCN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2Oc2ccccc21 9134717 DBDCESVWXXWXSR-UHFFFAOYSA-N 358.397 4.711 0 40 FJAB CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl 9460252 ZBOMCJSICCWZCV-UHFFFAOYSA-N 370.783 4.780 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cccc2ccccc12 10996084 KEVNASQUROBIBC-CCEZHUSRSA-N 372.468 4.567 0 40 FJAB Cc1cc(-c2cnc(N[C@@H](C)c3cccnc3)nc2-c2cccs2)on1 12088765 DAOASTAJMHAXHM-ZDUSSCGKSA-N 363.446 4.737 0 40 FJAB CC(C)Sc1nc2ccccc2n1Cc1nc(-c2cccs2)no1 12520723 LGKNDILALKDWIG-UHFFFAOYSA-N 356.476 4.697 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3)c3ccccc3C2=O)cc1 12524719 OFRWQENHLFBGBR-RCCKNPSSSA-N 354.409 4.635 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H](c1ccccc1)c1ccccn1 12593172 QVXXKCADPAXTAX-FQEVSTJZSA-N 371.267 4.837 0 40 FJAB CC(C)(C)C1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 12821735 VHVHMYPYCDORME-UHFFFAOYSA-N 356.554 4.620 0 40 FJAB Fc1cccc(NC(=S)N2CCCC[C@@H]2CCN2CCCCCC2)c1 13720241 GAWSWIZBOYNIGV-LJQANCHMSA-N 363.546 4.643 0 40 FJAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13939419 GYBWLWNHSWCUST-PELKAZGASA-N 356.702 4.504 0 40 FJAB CCc1cccc(CC)c1NC(=O)Cc1csc(-c2ccccn2)n1 14136811 ZLWMTIIQAWPPBN-UHFFFAOYSA-N 351.475 4.511 0 40 FJAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1Br 14230840 SZHILOFQBCOSGM-SECBINFHSA-N 356.622 4.733 0 40 FJAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 16695135 CWGGIPDLAFAGER-MRXNPFEDSA-N 355.441 4.572 0 40 FJAB CCCCn1nc(C)c2c(C(=O)Nc3cc(C)ccc3C)cc(C)nc21 17072748 CBDIFGJREZQYRC-UHFFFAOYSA-N 350.466 4.717 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cccs1 17178200 REAORQCAIIKUMU-UHFFFAOYSA-N 362.454 4.593 0 40 FJAB COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1 19559895 YAUDJTQUKXOPPD-GOSISDBHSA-N 358.532 4.904 0 40 FJAB O=C(NC1CCCCC1)c1ccc(OCCSc2ccccc2)cc1 20490285 HIZNXGJZUUKGLL-UHFFFAOYSA-N 355.503 4.920 0 40 FJAB O=C(CCc1ccco1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 23078047 SEPZPIISPGLQSQ-GRJOEGEGSA-N 357.453 4.626 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1cccc(Cl)c1 23790252 PERUDYWBSPZASX-LLVKDONJSA-N 354.281 4.645 0 40 FJAB Cc1sc(CC(=O)NCc2ccccc2)nc1-c1cccc(Cl)c1 25318008 CCEVSISLCBOCER-UHFFFAOYSA-N 356.878 4.631 0 40 FJAB Cc1cc(C)c(NCC(=O)Nc2ccccc2OC(F)F)c(Cl)c1 25947581 UXHICOAZZUTTJM-UHFFFAOYSA-N 354.784 4.609 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccco1 32623572 YNWOLOHOYRMCDU-UHFFFAOYSA-N 365.776 4.902 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1c(F)c(F)cc(F)c1F 36612127 VXOMZMRYWLQBMX-UHFFFAOYSA-N 372.368 4.584 0 40 FJAB O=C(NCc1cccs1)Nc1nc(-c2cc3ccccc3o2)cs1 38551153 LHPMKMJPMPNQJX-UHFFFAOYSA-N 355.444 4.940 0 40 FJAB CC(C)c1noc(CCCC(=O)Nc2ccccc2N2CCCCCC2)n1 41615580 KVCGCFFNLCBCJB-UHFFFAOYSA-N 370.497 4.535 0 40 FJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1F)OCN(CC(C)C)C3 57165423 AHEWUJPQPYFKRZ-UHFFFAOYSA-N 367.420 4.715 0 40 FJAB Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(Cl)c1 58160858 GACMMULKDUNOAZ-UHFFFAOYSA-N 364.876 4.966 0 40 FJAB CCCCCn1c(SCc2ccc(OC)cc2)nc2ccsc2c1=O 67259659 JZKUTFCWUBEOOD-UHFFFAOYSA-N 374.531 4.949 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(C(=O)O)c2)o1 71279613 ZWJBVUIZAGEFGH-AWEZNQCLSA-N 365.389 4.546 0 40 FJAB CCCNC(=O)c1cccc(NCc2cc3ccccc3nc2Cl)c1 71982471 ZOZIITXCYIVXIF-UHFFFAOYSA-N 353.853 4.640 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1Br 222977291 FKJYWESAVFFMGR-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 224190730 OOHHEBGOILKGBK-QZTJIDSGSA-N 351.500 4.629 0 40 FJAB CCOc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1OCC 224819766 RLPSHIKIHDXQKV-UHFFFAOYSA-N 367.489 4.612 0 40 FJAB Nc1nnc(/C=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)o1 226338484 PQCVGOUEYIJTDK-SOFGYWHQSA-N 362.216 4.708 0 40 FJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(C)c(C)c3)sc2c1 408627981 OZPXFNWQXZFOBU-UHFFFAOYSA-N 369.515 4.657 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 408701235 UUOPZNJBLBRLPQ-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc3ncnn23)cc1 409059429 NDOFRYZACQLMIA-UHFFFAOYSA-N 371.227 4.774 0 40 FJAB O=C(Nc1c(O)cc(Br)cc1Cl)c1cc2ccccc2[nH]1 568305625 BRVGXUXAUPTWNR-UHFFFAOYSA-N 365.614 4.542 0 40 FJAB O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 585101413 IXQGACRIGBQQEB-VHFSOBRXSA-N 370.880 4.632 0 40 FJAB O=C(CCSc1ccccc1)NC[C@@H](c1ccco1)c1cccs1 585146808 SMSQBYFRCBDOAW-INIZCTEOSA-N 357.500 4.772 0 40 FJAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(Cl)c(Cl)c1 1515868988 BZIJJMTYYXAWHF-OAHLLOKOSA-N 363.288 4.864 0 40 FJAB O=C(NCc1cc(-c2ccoc2)cs1)c1ccccc1C(F)(F)F 1775969994 WNWFGLWYIXYMNT-UHFFFAOYSA-N 351.349 4.957 0 40 FJAB Cc1cccc(CN2C(=O)N/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)c1 639596 YTVMNYUHBXKOOA-UDWIEESQSA-N 373.456 4.624 0 40 FJAB COCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCCC1 1367647 WDXRCNTXGIVIBM-UHFFFAOYSA-N 360.885 4.504 0 40 FJAB CC(C)CN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1cccc(Cl)c1)C2 1369527 KUJRHWASKJBAED-QZTJIDSGSA-N 365.974 4.668 0 40 FJAB O=C(O[C@H]1CC(c2ccccc2)=NN=C1c1ccccc1)c1ccccc1 1421760 SSECRSIOVRLWBA-NRFANRHFSA-N 354.409 4.509 0 40 FJAB F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(-c2cn3ccsc3n2)cc1 1509172 NZRWIXVBBGXWOM-LLVKDONJSA-N 366.286 4.935 0 40 FJAB C[C@@H](CN1CCCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698621 QZUSABKVUXHRGF-AVRDEDQJSA-N 357.925 4.892 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nccn2-c2ccccc2)c(C)c1 2723008 PGBTZNGMLOBJSX-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c(C)c1 2723696 DYOOJSKGXNJFSU-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB COc1ccc(C(O)(CCCc2ccccc2)c2ccc(OC)cc2)cc1 3126950 IIVBCEOOVWUYHO-UHFFFAOYSA-N 362.469 4.963 0 40 FJAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 3141714 IJLUARLBXWDKER-UHFFFAOYSA-N 373.275 4.754 0 40 FJAB Brc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 3328510 UNBOLAIQNNHSFJ-UHFFFAOYSA-N 360.232 4.968 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 4546743 VPAGGKGCQLAULZ-GFCCVEGCSA-N 364.426 4.514 0 40 FJAB COc1ccc(C(=O)Nc2cccnc2)cc1C12CC3CC(CC(C3)C1)C2 4710763 LQHYPAXHFFWLKZ-UHFFFAOYSA-N 362.473 4.810 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2-c2cccc(C)c2)cc1 5358503 LSQJXWXAROGRPI-HNNXBMFYSA-N 351.475 4.556 0 40 FJAB CC(C)C(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C 5450961 LTTCKKQDEWVIPU-UHFFFAOYSA-N 370.452 4.953 0 40 FJAB O=C1O[C@H](c2cccs2)N(C(=O)c2ccccc2Cl)c2ccccc21 6928007 FYFFPMZQQFKPDQ-GOSISDBHSA-N 369.829 4.918 0 40 FJAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2ccccc2c1 6930032 ANZHMZLXSWMELK-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1 7645385 IFFOWXXNNXCLNY-JTQLQIEISA-N 368.658 4.602 0 40 FJAB Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1 7990549 RQXIDMFLWDKWDU-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCC1 8231356 DCIHVIPMYAZYQZ-QGZVFWFLSA-N 352.865 4.870 0 40 FJAB CCCCNc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 8263808 HYTAMZOSSBPNQN-LLVKDONJSA-N 360.508 4.595 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCCCOc1ccc(OC)cc1 8587084 NSTNAPRQHWVYQJ-NRFANRHFSA-N 368.477 4.738 0 40 FJAB O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/c2ccccn2)cc1 11858905 WKNIASDQRWTZOI-RUDMXATFSA-N 365.816 4.890 0 40 FJAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)sc1C 12087833 QZLTXNGLFSFFMJ-UHFFFAOYSA-N 365.502 4.515 0 40 FJAB O=C(/C=C/c1c(F)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12603798 QRWKTQJEIHRKBH-DOJUMQAQSA-N 369.827 4.732 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCc2ccco2)cc1 12690406 QPKKWJVMQJSUGB-UHFFFAOYSA-N 357.457 4.773 0 40 FJAB COC(=O)c1sccc1NC(=O)c1ccccc1Oc1ccccc1 12922896 GGPZTVDQPHKSTH-UHFFFAOYSA-N 353.399 4.579 0 40 FJAB Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1cc(F)ccc1F 13549683 VHBPZOOLLZHHOV-HNNXBMFYSA-N 353.372 4.891 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)c1cnc2c(Cl)cccc2c1O 13728694 OPQQDJRMYYRBKL-UHFFFAOYSA-N 366.726 4.865 0 40 FJAB O=c1c2ccccc2nc(SCc2cccc3cccnc23)n1C1CC1 14095271 CEMSWXLJIKITEU-UHFFFAOYSA-N 359.454 4.572 0 40 FJAB COc1ccccc1C(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 14506051 NZTVXZPBJJSIAP-UHFFFAOYSA-N 366.398 4.924 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)cc1 20459405 VXBSGYLQUXKPLV-GOSISDBHSA-N 363.910 4.878 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccccc2Cl)cc1 20483417 ALHGFAZWUKPMAH-GOSISDBHSA-N 361.869 4.631 0 40 FJAB Cc1ccc(Cl)c(OC(=O)c2ccccc2SCc2nc(C)no2)c1 22523067 GCNPKJFQHABEEI-UHFFFAOYSA-N 374.849 4.851 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)s1)c1ccco1 23757455 UPWHYVGYIVQDDL-OAHLLOKOSA-N 366.442 4.571 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)NCc1ccccc1OC(F)(F)F 24925408 YFUOURTVJKYBIZ-UHFFFAOYSA-N 372.774 4.580 0 40 FJAB Clc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222524 XAEDATRFRALGNI-FQEVSTJZSA-N 351.881 4.752 0 40 FJAB Clc1cccc(Cl)c1OCCSc1nnc(-c2ccc[nH]2)o1 28131058 XNDFIASNNRTXEP-UHFFFAOYSA-N 356.234 4.543 0 40 FJAB O=C(CCc1ccc2ccccc2n1)NCCc1ccc(C(F)(F)F)cc1 39975555 OZMPEJMTHRYBGA-UHFFFAOYSA-N 372.390 4.545 0 40 FJAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(F)cccc2F)cn1 40090803 ZKGIZPPMPADIKI-UHFFFAOYSA-N 370.355 4.721 0 40 FJAB C[C@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)[C@@H]1C 40387706 UMHHCJGRDWHUNG-RZQQEMMASA-N 372.472 4.708 0 40 FJAB COc1ccccc1Nc1nc2sc(C(=O)N3CCCCC3)cc2s1 48301525 NRPRGNCIHKFXEN-UHFFFAOYSA-N 373.503 4.736 0 40 FJAB COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(SC)cc3)no2)c1 49002304 ZOJKETHCWFXLAM-UHFFFAOYSA-N 364.430 4.524 0 40 FJAB CC(C)[C@H](NC(=O)CCCc1ccccc1)c1ccc2c(c1)OCCCO2 58218322 RPDMEOQKECFRFI-QHCPKHFHSA-N 367.489 4.684 0 40 FJAB CC(C)(C)c1nc(-c2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)no1 65493259 UMACGFJOTAKCKE-MRXNPFEDSA-N 368.264 4.557 0 40 FJAB CN(C(=O)Nc1cccc2cnccc12)[C@H](c1ccccc1)c1ccccn1 67474606 AKNCPACAWVBITK-JOCHJYFZSA-N 368.440 4.883 0 40 FJAB Fc1ccc(-c2nnc(C3(c4ccccc4Cl)CCOCC3)o2)cc1 71889748 VESJNSYIBXJZGI-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357603 PWDXHQSUJUDZSN-QFIPXVFZSA-N 360.432 4.789 0 40 FJAB O=C(Nc1cc(F)ccc1F)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 79052553 AVYJTSYFYOTADQ-PXNSSMCTSA-N 374.431 4.865 0 40 FJAB C[S@@](=O)c1ccc(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 91377281 OPZPPYUQQSQXAT-MBSDFSHPSA-N 368.329 4.972 0 40 FJAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1OC 102726679 KFYQRUWMSPYECR-GOSISDBHSA-N 368.433 4.850 0 40 FJAB C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 152488761 FMFMKSQKSLOIRX-HZPDHXFCSA-N 363.486 4.502 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc(OC)c(C)c2)cc1 222657650 NQVZCGLYFNHBLL-NRFANRHFSA-N 369.505 4.848 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(C)c1 223114647 HKJLLLUODMFOAS-RDTXWAMCSA-N 361.869 4.692 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 223256924 BKMLTUVCCFGIBQ-KBXCAEBGSA-N 361.869 4.692 0 40 FJAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1C 223445977 YQMQSIXNYZNCNX-AWEZNQCLSA-N 369.889 4.585 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccc2ccccc2c1 223622109 ASDPQTUPIJLKMF-NRFANRHFSA-N 363.457 4.501 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(OC)c(C)c1 223709469 MYHVNVJTTPMUCK-VQTJNVASSA-N 355.478 4.737 0 40 FJAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1cc(C)cc(C)c1C 224606102 YYTLHDLAUKSTAQ-UHFFFAOYSA-N 369.505 4.975 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)cc3)ccc21 225181726 PGUGLDLYBWRKGK-UHFFFAOYSA-N 374.893 4.869 0 40 FJAB COc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)c2cccnc12 225516767 OGLGNNQPNLBIHQ-HNNXBMFYSA-N 365.502 4.551 0 40 FJAB CCCc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 225763270 NKEVONKMIIRLDD-WLZSEIJESA-N 369.505 4.510 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1snnc1-c1ccc(F)cc1 225779806 LHCWYYABPSKCSM-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CC(C)COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)c2ccccc12 225915488 WGOCOHCJRYGVBN-UHFFFAOYSA-N 371.477 4.602 0 40 FJAB CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Cl)ccc1Cl 226261319 RQKDNIHMFOQJHW-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc12 328593224 NDRQMNLAZPCXOM-WMLDXEAASA-N 367.518 4.763 0 40 FJAB O=C(CSc1ccc(F)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408543074 NMQGPYROANYACC-FUHWJXTLSA-N 369.486 4.920 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccc(C(F)(F)F)nc1 575621695 RHCDGAHYWKRYPE-LLVKDONJSA-N 364.392 4.676 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1F 855011 QIBAKQQWWABMQC-UHFFFAOYSA-N 369.417 4.983 0 40 FJAB O=C(COc1ccccc1Br)Nc1cccc2ccccc12 943111 SMDWCHXWLGFWTP-UHFFFAOYSA-N 356.219 4.620 0 40 FJAB CC(C)COC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 957902 GOXUPFLDCVBPSO-UHFFFAOYSA-N 358.488 4.650 0 40 FJAB CCCOC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OCC)c1 2069739 CDTPRFVGPCNFJQ-UHFFFAOYSA-N 361.825 4.558 0 40 FJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1 2684637 OPHIMLLEZAXZKC-UHFFFAOYSA-N 366.852 4.577 0 40 FJAB COc1ccccc1[C@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 3363084 JOWBNAKWTXECKY-HNNXBMFYSA-N 356.429 4.874 0 40 FJAB CC[C@@]1(C)C[C@@](CCNCc2ccc(OC)c(OC)c2)(C(C)C)CCO1 4073513 KTTAQLFNXHNCAF-VXKWHMMOSA-N 363.542 4.805 0 40 FJAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2F)CSC3)cc1C 4224463 GPVCJAPMFZBGIP-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)[C@@H](OC(=O)COC(=O)c2ccc(Cl)cc2)C1 4930699 DVQXGUVUAJQEDN-UNEWFSDZSA-N 352.858 4.501 0 40 FJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5254861 WGYUNJBUDLXZGQ-WWNPGLIZSA-N 369.480 4.703 0 40 FJAB CCOc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 5475428 JBFBMBPGTSBVPL-UHFFFAOYSA-N 374.436 4.643 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 5577898 ZMFQDLNBIDVPIV-LLVKDONJSA-N 368.658 4.817 0 40 FJAB COc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1OC 5676137 VZIFSDPROKSPAH-UHFFFAOYSA-N 363.413 4.677 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(CC)cc2)c1 6263842 NFBJQQMBUKPRSW-UHFFFAOYSA-N 374.868 4.659 0 40 FJAB O=C(Nc1ncccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 6276851 KCRLEYRGXDSXEH-UHFFFAOYSA-N 362.473 4.816 0 40 FJAB Cc1ccc2nc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)[nH]c2c1 8686412 UUGOZJOHEGMUGL-RHSMWYFYSA-N 365.502 4.546 0 40 FJAB aggregator COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 9112561 MXSIXUJJHJJURA-JOCHJYFZSA-N 365.860 4.797 0 40 FJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccccc1Cl 11865820 IHVSOMLTMBYHRY-MRXNPFEDSA-N 360.866 4.615 0 40 FJAB Cc1ccc(CN(C(=O)COc2cccc(C)c2C)c2ccccn2)cc1 11915850 PKHHABPNSIGYOZ-UHFFFAOYSA-N 360.457 4.619 0 40 FJAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(Br)o1 12905392 USDZONDZIMRYTG-UHFFFAOYSA-N 350.212 4.616 0 40 FJAB Cc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 12914029 NXFQVJYMSIIVAC-HXUWFJFHSA-N 368.527 4.704 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 20452828 NMTKUNGAMXQTCU-AUUYWEPGSA-N 361.869 4.774 0 40 FJAB O=C(c1cc(-c2cccs2)on1)N(Cc1ccccc1)c1ccccn1 21149595 ILGIWHCLKHMQST-UHFFFAOYSA-N 361.426 4.645 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc2cccnc12 23679857 GPMYNPDHWZPPOM-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB CN(Cc1ccc(F)cc1F)Cc1c(-c2ccccc2)nc2ccccn12 24963823 ZHZISPAZBXITID-UHFFFAOYSA-N 363.411 4.912 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccn2)cc1 27654392 SIXPWVOIEIODAM-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 30940427 SJSLDYUOWDCWQE-GOSISDBHSA-N 366.505 4.958 0 40 FJAB C[C@H](NC(=O)CCSCc1nc2ccccc2s1)c1ccccc1 32778828 YWUUIJQUPQXCCX-AWEZNQCLSA-N 356.516 4.797 0 40 FJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Br)s1 33214021 OTCYKHYRPZDXJP-UHFFFAOYSA-N 363.236 4.782 0 40 FJAB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1cccc2cccnc12 49549633 PUPQMYBKYBIAPJ-KRWDZBQOSA-N 352.463 4.611 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)ccc1Cl 64982280 KMKOVBLRXRPFKH-NSHDSACASA-N 368.658 4.817 0 40 FJAB O=C(OCc1ccccc1)[C@H]1CCN1C(c1ccccc1)c1ccccc1 65734636 VTDVMKXDAGMXQS-JOCHJYFZSA-N 357.453 4.594 0 40 FJAB in-vitro Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2)n1 67296753 SCHIZUUCVDIUAG-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB Fc1ccc(-c2nnc(C3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1 70635541 RDXCCRWHTFMROD-UHFFFAOYSA-N 371.843 4.909 0 40 FJAB Fc1ccccc1-c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889778 PNVZIZKKTYSHHK-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB O=C(CC(=O)c1ccccc1)C[C@](O)(/C=C\c1ccccc1)c1ccccc1 72188381 MUWXSVQCTMZWEZ-AQLJSXSMSA-N 370.448 4.820 0 40 FJAB CCC(CC)(NC(=O)Nc1nncs1)c1ccc(Cl)c(Cl)c1 72271036 NKBJAGSKBNBWJO-UHFFFAOYSA-N 359.282 4.682 0 40 FJAB Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348851 BOJHKYAKSKMSBT-QFIPXVFZSA-N 357.501 4.755 0 40 FJAB O=C(O)c1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 73638269 GAVAXZZHADCMDM-UHFFFAOYSA-N 352.571 4.609 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](c2ccncc2)SC1 79493878 ISZVXPIPKZWNRT-KRWDZBQOSA-N 372.494 4.693 0 40 FJAB O=C(NCc1ccccc1F)N1Cc2ccccc2[C@H](c2ccccc2)C1 84525613 UVCFOBNMBMZJHV-NRFANRHFSA-N 360.432 4.683 0 40 FJAB O=C(CCc1ccccc1)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 97000970 FUARBVPLQULKJF-HSZRJFAPSA-N 359.469 4.924 0 40 FJAB CC(C)C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 216336221 QGKGLQINUOGBIO-SFHVURJKSA-N 351.899 4.547 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccc(F)cc2)nc1 222614490 GYROCWCJPOINCV-UHFFFAOYSA-N 361.298 4.554 0 40 FJAB Cc1cccc(CSCC(=O)NCCCc2cccc(OC(C)C)c2)c1 222742758 WALDZBQHFXTBHB-UHFFFAOYSA-N 371.546 4.764 0 40 FJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222845955 SBICLHRWPNCMGL-VQTJNVASSA-N 363.486 4.723 0 40 FJAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222934140 SXUSUUGOIPIIHR-HXUWFJFHSA-N 369.505 4.857 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C(C)C 223350693 JQAKYEPSEWTMDQ-DLBZAZTESA-N 355.478 4.772 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 223434477 OVBLFQHQCVLEME-UHFFFAOYSA-N 355.912 4.986 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1 223748236 FUGCKORNXIKZMA-QGZVFWFLSA-N 357.519 4.794 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224190598 OOHHEBGOILKGBK-ROUUACIJSA-N 351.500 4.629 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(C)c3C)s2)cc1 225045034 SIKREJJLGMSGDP-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225737085 JVXYPIGNEFIMGN-LJQANCHMSA-N 371.905 4.535 0 40 FJAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 225816692 FSRDXVYCXNEHJH-UHFFFAOYSA-N 363.461 4.959 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)c(C)cc1N 226349723 XMSQCVWHNAGKBQ-UHFFFAOYSA-N 359.640 4.798 0 40 FJAB COc1ccc(C(=O)NCCc2ccc(-c3ccsc3)s2)cc1F 575414111 YNULZFTXBOIMBB-UHFFFAOYSA-N 361.463 4.597 0 40 FJAB O=C(N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1cnn2c1CCCC2 1140567869 TXSRJJICRQGXAB-PKOBYXMFSA-N 371.912 4.719 0 40 FJAB CCOc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)c2ccccc12 1208424776 JJMFSLROVILCHS-UHFFFAOYSA-N 363.523 4.541 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(F)cc1 956097 RQRPVMXLMLYAOS-UHFFFAOYSA-N 357.425 4.868 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1C[C@H](C)C[C@@H](C)C1 2427596 YKACPVQGBNFYJK-CHWSQXEVSA-N 360.548 4.655 0 40 FJAB O=C(NCc1ccccc1F)c1cc(-c2ccccc2)nn1-c1ccccc1 2658954 BNMAUHBZBAODHD-UHFFFAOYSA-N 371.415 4.608 0 40 FJAB CC(C)(C)C(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3155680 FNIHJFVDXSMMRP-SNVBAGLBSA-N 358.096 4.611 0 40 FJAB COc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(OC)c1 3615241 FVAKVDCGCNDEBG-UHFFFAOYSA-N 365.813 4.963 0 40 FJAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnn1-c1ccccc1 4316289 HOKBJRJAJAHYNZ-UHFFFAOYSA-N 370.412 4.620 0 40 FJAB CNC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc(C)c1C 4570408 GZOZBPSRINPONR-UHFFFAOYSA-N 364.470 4.644 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2ccc(C)cc2C)sc2c1CCCC2 5268005 WURYEECAAAUSSN-UHFFFAOYSA-N 371.502 4.602 0 40 FJAB Cc1ccc2nc(CSc3c(Cl)cccc3Cl)cc(=O)n2c1 5429980 JUTHMKHDZDDUDP-UHFFFAOYSA-N 351.258 4.602 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)c3)n2)cc1OC 6334077 CSHXGYPNLSZECP-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 6372823 QMRPSJCAGTVBEM-SNVBAGLBSA-N 359.731 4.645 0 40 FJAB Cc1noc(C)c1CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 7000337 YGPHWIJDYQJTTM-UHFFFAOYSA-N 363.870 4.528 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1 7032570 FLYMJENVZIWOCL-LLVKDONJSA-N 366.230 4.557 0 40 FJAB COc1cc(CNC2CC2)ccc1OCc1c(Cl)cccc1Cl 8471263 XGWHHJZTQFXPFW-UHFFFAOYSA-N 352.261 4.833 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(C)cc2)no1 8612409 LZJMDZHAJLHOAY-GOSISDBHSA-N 354.381 4.585 0 40 FJAB S=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 9189288 MPNOMGBYZGPBRW-UHFFFAOYSA-N 358.510 4.851 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)cc1 9318542 QFVIWISHRVMKQM-OAHLLOKOSA-N 367.836 4.527 0 40 FJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc[nH]3)s2)cc1Cl 10029534 SXWFXFQLETUFQF-UHFFFAOYSA-N 364.883 4.547 0 40 FJAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 12539146 RQKCFADIYLMSEH-QGZVFWFLSA-N 355.441 4.576 0 40 FJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(F)c3)c12 12770268 SPIRVIJTKGOJJW-UHFFFAOYSA-N 365.339 4.729 0 40 FJAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1csc(-c2ccco2)n1 12850060 QGSJXXUWODKLPZ-UHFFFAOYSA-N 368.336 4.597 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc2cccnc12 14095738 IBQDNRVSCQHMJJ-UHFFFAOYSA-N 351.456 4.601 0 40 FJAB CC(=O)c1cccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)c1 14247139 FQIIYLPQZXRJQH-UHFFFAOYSA-N 351.793 4.839 0 40 FJAB COc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 14705808 UUTMVIQGZQMDDQ-UHFFFAOYSA-N 366.486 4.813 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC 15080041 KKVMIYYIQHSQJX-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB CCc1ccc(OCc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 17058804 QZTAKCGKAWMOBW-UHFFFAOYSA-N 373.865 4.585 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Br)c1 20038798 WCPPLGUSZVYOKL-INIZCTEOSA-N 362.267 4.862 0 40 FJAB COC(=O)[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 23818915 CHBLCKVLGQHKAA-LJQANCHMSA-N 355.821 4.604 0 40 FJAB Cc1nc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2n1-c1ccccc1 25767408 IVTPMYIGIZAKMC-UHFFFAOYSA-N 374.469 4.531 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1F 27975217 MUHIBFFHQCFMPK-LLVKDONJSA-N 367.342 4.739 0 40 FJAB O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CC=C(c2ccccc2)CC1 30811589 XBUGWQLCEOZKLC-UHFFFAOYSA-N 369.468 4.679 0 40 FJAB Cc1nc(COc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cs1 39982762 NZVHFBYCESBOLO-CQSZACIVSA-N 364.470 4.622 0 40 FJAB COc1ccc([C@H](C)NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1F 45103405 CDHJEMYPBYQHIH-KXBFYZLASA-N 371.456 4.617 0 40 FJAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(F)c1 57508761 AAHVOFVHUPKGGC-IFXJQAMLSA-N 354.450 4.593 0 40 FJAB CCn1cc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)cn1 58298061 RKOAQZKAZMPDIN-OAHLLOKOSA-N 368.403 4.831 0 40 FJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 59461554 VYZHZLOVSQHFTE-HOTGVXAUSA-N 367.518 4.899 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63887845 UETICNQOHLAJBC-UHFFFAOYSA-N 364.445 4.792 0 40 FJAB Cc1ccc(C[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 71405919 FGGZRNANYPVRCL-LJQANCHMSA-N 371.436 4.910 0 40 FJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(-c2ccccc2F)on1 72277374 PMOHSCMLHYUDNT-IBGZPJMESA-N 367.424 4.577 0 40 FJAB O=C(NCc1cccc2ccccc12)N(CCc1cccs1)C1CC1 75154837 ZUYWHQDQKRZYKC-UHFFFAOYSA-N 350.487 4.818 0 40 FJAB COc1cc(NCc2ccc(-c3cccc(F)c3C)o2)ccc1NC(C)=O 115613036 FYDFBMQIDDUKPP-UHFFFAOYSA-N 368.408 4.973 0 40 FJAB CCCOc1ccccc1CCCNC(=O)COc1ccccc1C(C)C 222811733 AKQYNDPCGMTUCB-UHFFFAOYSA-N 369.505 4.727 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222971298 DEWBLFYNQOJWFS-OPAMFIHVSA-N 367.489 4.609 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1OC 223395340 ITSHQWLQGFSVFM-SYJIQKIWSA-N 353.462 4.520 0 40 FJAB S=C(NCCOc1cccc2ccccc12)Nc1ccc(Cl)cc1 223577877 SIGFCOAKZJSYFT-UHFFFAOYSA-N 356.878 4.859 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C 224738317 DXMJRYPVHXVBLF-UHFFFAOYSA-N 367.470 4.780 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCOC2CCCCC2)c1 225224440 YCLNDOBXJORUKS-SFHVURJKSA-N 361.526 4.741 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 225592630 CJWVLVMVVDMVEF-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 225712830 LYFWTHLKYAJGBV-SFHVURJKSA-N 353.462 4.734 0 40 FJAB CC(C)Sc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccccc1 252528023 DYJBKFJXVQPPGZ-UHFFFAOYSA-N 361.470 4.881 0 40 FJAB CC(C)[C@H]1O[C@H]2c3cc(C(C)(C)C)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257213785 CJBHHHLHLZAYCV-ISARSNTHSA-N 360.494 4.958 0 40 FJAB CCOP(=O)(OCC)O[C@@H](c1ccc(Br)cc1)C(F)F 306145797 QJJOMBMGFKQAMT-NSHDSACASA-N 373.130 4.953 0 40 FJAB Cc1ccc(-c2noc(-c3cccc4c3C(=O)N(C3CCCC3)C4)n2)cc1 390830854 NWQNKFBIJHRTAN-UHFFFAOYSA-N 359.429 4.610 0 40 FJAB Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 604848755 LKPWWPKVEDVZCP-UHFFFAOYSA-N 363.379 4.697 0 40 FJAB O=C(Nc1n[nH]cc1-c1ccccc1)c1cc(F)c(Cl)cc1Cl 1640208457 NVCWOWJGZJLMLU-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB Cc1cc(C)c2nc3sc(C(=O)N4CCc5ccccc54)c(N)c3cc2c1 1342937 JCTZYBYWZLINFI-UHFFFAOYSA-N 373.481 4.851 0 40 FJAB CCCCn1nc(C(=O)Nc2ccc3ccccc3c2)c2ccccc2c1=O 2634106 STECUOSDLLEGPX-UHFFFAOYSA-N 371.440 4.602 0 40 FJAB COc1cccc(NC(=O)[C@H](Cc2ccc(C)cc2)C(=O)c2ccccc2)c1 2643661 UBSKARLPVQJNDP-JOCHJYFZSA-N 373.452 4.684 0 40 FJAB Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3ccccc3)c2)c1 4659884 VTICJMNDMJGXLR-UHFFFAOYSA-N 358.441 4.819 0 40 FJAB Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Br)c3)nc12 4678222 IFXLTYPPYNWHJM-UHFFFAOYSA-N 370.225 4.908 0 40 FJAB CC(C)c1nnc(NC(=O)c2ncoc2-c2ccc3ccccc3c2)s1 5002087 RAWHVHHSODFDRI-UHFFFAOYSA-N 364.430 4.722 0 40 FJAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256062 ZEFGJXSQRYRPFE-IBGZPJMESA-N 357.885 4.589 0 40 FJAB CCOc1ccc(C2=Nc3ccccc3C(c3ccc(OC)cc3)=NN2)cc1 6600797 PJKGVIMTXVSWOZ-UHFFFAOYSA-N 371.440 4.528 0 40 FJAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O 6629569 BRIPHRPHCLSXHF-LFIBNONCSA-N 360.866 4.885 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)cc2Cl)c1 7748479 NDRIHLDZIZNNIQ-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB Cc1nc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cs1 7996368 PTQHRVKNRAJLJX-UHFFFAOYSA-N 363.895 4.718 0 40 FJAB CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 8126675 RZYLYDVIVPJXJB-QGZVFWFLSA-N 363.288 4.941 0 40 FJAB CCCn1nc(NC(=O)c2cccc(Cl)c2)c2cc3ccccc3nc21 9319675 VXHKXTCCKVRSEJ-UHFFFAOYSA-N 364.836 4.900 0 40 FJAB CCCCNc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 9648235 MEUVRLYPFLMIDV-UHFFFAOYSA-N 358.449 4.771 0 40 FJAB COc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1 10219604 GQEDSERREAIGQN-UHFFFAOYSA-N 366.280 4.579 0 40 FJAB Cc1c(C(=O)Nc2ccccc2F)c2ccccn2c1CCc1ccncc1 12589016 ZDPNFNNUIBSSHM-UHFFFAOYSA-N 373.431 4.819 0 40 FJAB CC[C@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12773852 NEMPPXBLRVZWMJ-SFHVURJKSA-N 350.506 4.612 0 40 FJAB CCCCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 12866920 BTESVENNQWUAEO-UHFFFAOYSA-N 350.871 4.574 0 40 FJAB Cc1ccc(-c2csc(NC(=O)CN(C)C3CCCCC3)n2)cc1C 14217992 FTVKQEUINYDDJQ-UHFFFAOYSA-N 357.523 4.630 0 40 FJAB Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc2ccccc21)c1ccccc1 15346769 HTCKQPPSNQNJOY-YKSBVNFPSA-N 372.468 4.512 0 40 FJAB C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 19908741 KXRSSLPHUWHTIT-AWEZNQCLSA-N 356.853 4.607 0 40 FJAB COc1cccc(-c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)c1 20731557 SHFIMHITWLMQLQ-UHFFFAOYSA-N 365.410 4.601 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(F)cc1 22527826 RDTZPRLZLBDQAV-KRWDZBQOSA-N 374.459 4.879 0 40 FJAB Cc1cccc(Cn2cnc3c(-c4cccc(F)c4)csc3c2=O)c1 23126020 ICYPJXMWDMRRGO-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB Cc1ccc(NC(=O)c2ccc(Br)cc2F)c2cccnc12 24987371 AJYDCJKSCBXSAD-UHFFFAOYSA-N 359.198 4.697 0 40 FJAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 31236105 KNATWEBLNYMVHV-IBGZPJMESA-N 356.469 4.610 0 40 FJAB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl 32797496 NOIYBVGGJLSFOP-LLVKDONJSA-N 358.265 4.834 0 40 FJAB OC1=Nc2c(ncn2-c2ccc(Br)cc2)[C@@H](c2ccsc2)C1 36358401 AADYPJDLAHOJJN-CYBMUJFWSA-N 374.263 4.820 0 40 FJAB O=C(COc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1cccs1 48333939 FLPDWJXGGZHSSI-CYBMUJFWSA-N 355.381 4.509 0 40 FJAB Cc1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)c1 49005450 RFBKKHLKDRZZSW-UHFFFAOYSA-N 374.488 4.862 0 40 FJAB O=C(CC1CCCC1)NCC1(c2cccc(Br)c2)CCC1 59891577 ROZCQWCOVFXHTC-UHFFFAOYSA-N 350.300 4.567 0 40 FJAB O=C(CCCOc1cccc2ccccc12)NCCCNc1ccccc1 65552485 HCJHJDIJZTZZEJ-UHFFFAOYSA-N 362.473 4.617 0 40 FJAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(OC)c1 80344854 WAYHWTVVAAKIRH-CABCVRRESA-N 366.244 4.753 0 40 FJAB CC(C)N(C)c1ccc(NC(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc1F 84597178 HLVQLZJRZVGRLA-ZWKOTPCHSA-N 365.518 4.562 0 40 FJAB C[C@H](C(=O)Nc1cccc2c1ccn2C)c1ccc(C[C@@H]2CCCC2=O)cc1 95477458 KIHKYUZMSJDMJW-LPHOPBHVSA-N 374.484 4.832 0 40 FJAB Cc1cc(NC(=O)Nc2ccc(Cl)cc2)cc2c1N(C)C(=O)C2(C)C 96182143 WTIQDVBCXWLDNS-UHFFFAOYSA-N 357.841 4.546 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(-c2ccncc2)cc1 152488647 FMFMKSQKSLOIRX-JKSUJKDBSA-N 363.486 4.502 0 40 FJAB CCc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219454267 UXKPTYVAWVTEFV-UHFFFAOYSA-N 358.441 4.781 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccccc1Cl 220019426 OYYAVCQOUMHNLE-GOSISDBHSA-N 373.880 4.700 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222643148 BROUQZMNBNDCGF-FQEVSTJZSA-N 365.429 4.543 0 40 FJAB Cc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 223122862 JWMMRHRSMAOGTR-UHFFFAOYSA-N 357.866 4.657 0 40 FJAB Cc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C 223391758 IBBUPODKCOPHOQ-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2C)c2ccccc2O1 224323523 MTGWHZNRRBAKFE-IEBWSBKVSA-N 367.489 4.961 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 224453554 QHXNPLPBJOBJBU-JOCHJYFZSA-N 369.505 4.609 0 40 FJAB CCOc1ccc(C(=O)NCCc2ccc(C(C)C)cc2)cc1OCC 225064096 NXVLVQARQIFJPN-UHFFFAOYSA-N 355.478 4.580 0 40 FJAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl 225464775 LQKMOXFORJAMJR-UHFFFAOYSA-N 369.273 4.979 0 40 FJAB CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225615995 GIRQOUQZHAXUNV-UHFFFAOYSA-N 365.514 4.518 0 40 FJAB Cc1cc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)ccc1Br 226764060 QGZFMMDYTIYNLD-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB CCOC(=O)c1cc(NC(=O)CSc2ccc(C)cc2)ccc1Cl 409182529 MHKZJGVBKILHEH-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB Cc1onc(-c2cccnc2)c1C(=O)NCCCc1ccc(C(C)C)cc1 513016480 IOUCUJCEMSFWPW-UHFFFAOYSA-N 363.461 4.531 0 40 FJAB Cc1nn2c(CN3CC[C@H]3c3ccc(Cl)cc3)c(C(C)C)nc2s1 552345346 UXMPYIJFOTZEEV-HNNXBMFYSA-N 360.914 4.823 0 40 FJAB COc1ccc(Cl)c(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 1559608237 LLRZLVGPQCAFEM-NRFANRHFSA-N 352.865 4.755 0 40 FJAB O=C(N[C@@H](c1cccs1)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 1565523726 YSFYGTLANBJNNP-KXDMBUCYSA-N 359.535 4.548 0 40 FJAB Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)c(C)c1 1772572851 SVQCMDHUVKEZPE-DLBZAZTESA-N 363.505 4.810 0 40 FJAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 819252 SSMHQLATJLUVMJ-UHFFFAOYSA-N 370.924 4.601 0 40 FJAB Cc1nc2ccccn2c1-c1nnc(SCc2ccc(Cl)cc2)o1 1016637 ATSHJPHIPJEIDD-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB CC1(C)c2cc(F)ccc2N2CCC(O)=N[C@]21/C=C/c1ccc(F)cc1 1246048 IQTZQFZGXPXSMI-FKVRIVCVSA-N 354.400 4.832 0 40 FJAB CCCCCCOc1ccc(/C=C/C(=O)NCc2ccco2)cc1OC 1771549 LOCAALBPIPWJKH-ZRDIBKRKSA-N 357.450 4.577 0 40 FJAB CCc1cccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1 2158730 TWYMPJGTMNKSPC-UHFFFAOYSA-N 361.441 4.509 0 40 FJAB biogenic Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 2397563 KOEHAYTXTLALTL-UHFFFAOYSA-N 352.507 4.557 0 40 FJAB CCN(C(=O)CSc1ncnc2ccccc12)c1cccc2ccccc12 3291673 LUEHOQDWLPTLBF-UHFFFAOYSA-N 373.481 4.928 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)/C=C/c1cccc(Br)c1 3296629 RCGMOIBACOCKAO-RDRICISKSA-N 358.279 4.600 0 40 FJAB O=C(Nc1ccccc1Cc1ccccc1)c1cncc(Br)c1 3473623 INCQWXDJQIRKRR-UHFFFAOYSA-N 367.246 4.687 0 40 FJAB COc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Cl)cc1)=N2 4129723 HRWYOZYTQXAYRI-UHFFFAOYSA-N 361.832 4.783 0 40 FJAB Cc1ccc(-c2cnc(SCCNC(=O)c3cccc(Cl)c3)[nH]2)cc1 4315441 DZNLOXBGBICQEA-UHFFFAOYSA-N 371.893 4.561 0 40 FJAB O=C(Nc1sc2c(c1CN1CCCCC1)CCC2)c1ccccc1F 4748616 OWRODAHKBXWDSW-UHFFFAOYSA-N 358.482 4.614 0 40 FJAB Cc1ccccc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4909648 OWDFFKXVYRPIAW-UHFFFAOYSA-N 369.896 4.874 0 40 FJAB CC1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)CC1 4980622 XWUVEPQGQSDZGU-UHFFFAOYSA-N 364.468 4.651 0 40 FJAB C[C@@H](Cc1ccccc1)NCCCCCCN[C@H](C)Cc1ccccc1 5275223 QDTBMJUZMMWCQX-SZPZYZBQSA-N 352.566 4.988 0 40 FJAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N(C)c3ccccc32)cc1 5334777 HPGHJTXDKDUMEJ-HXUWFJFHSA-N 358.441 4.742 0 40 FJAB COc1cccc(-c2nc(COC(=O)c3cc4ccccc4[nH]3)cs2)c1 5532436 QSLIQOFSASVFLA-UHFFFAOYSA-N 364.426 4.657 0 40 FJAB COc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cc1OC 6786273 NEAXCEFZKIAJTR-UHFFFAOYSA-N 355.463 4.721 0 40 FJAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3cccs3)n2)cc1 7643892 LNFMFIBKNDDBKU-ZDUSSCGKSA-N 356.516 4.996 0 40 FJAB CCOc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1OC 7778967 AYZKCZGAAITGOE-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8102798 VERSVTAQWWTGBD-GFCCVEGCSA-N 358.413 4.594 0 40 FJAB O=C(Nc1nnc(SCc2cccs2)s1)c1cc2ccccc2o1 8389740 HYPVIBGBUQKGHM-UHFFFAOYSA-N 373.484 4.890 0 40 FJAB CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9063379 RIBZSJCZWWNLCP-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C 9360047 GGNHWSMXYSAUTE-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB C[C@H](c1ccccc1)N(C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 10101804 PSUABXQAZILARQ-CYBMUJFWSA-N 361.367 4.948 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCSc2ccc(C)cc2)c1C 10442259 PMGLJBMTWVZMFS-UHFFFAOYSA-N 357.475 4.601 0 40 FJAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccc2cc(OC)ccc2c1 10495301 BCOVXZZWXPBNEA-UHFFFAOYSA-N 366.436 4.719 0 40 FJAB COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C)cc1 10777648 BXJDDJQIXUFYJP-UHFFFAOYSA-N 362.267 4.728 0 40 FJAB CCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl 11692506 RKXDBKIWXWVTHD-GOSISDBHSA-N 358.869 4.992 0 40 FJAB COc1cccc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)c1 12550997 QPOAQWHWXXLIMQ-AWEZNQCLSA-N 352.459 4.671 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CCN1C(=O)CSc2ccccc21 12978936 UCVJSLVDEQAIME-UHFFFAOYSA-N 368.502 4.586 0 40 FJAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 12999360 MRIGYTQWMGACFG-DVQDXYAYSA-N 352.434 4.812 0 40 FJAB Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc2ccccc21)c1ccccc1 15346766 HTCKQPPSNQNJOY-GBXCKJPGSA-N 372.468 4.512 0 40 FJAB CCOc1ccccc1NC(=O)Cc1sc(C)nc1-c1cccs1 15840181 GIWDKNUKJFTUEX-UHFFFAOYSA-N 358.488 4.760 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)cc1 17042911 DIDPUKSLXCSLHA-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCC[C@H]3C)c2)cc1 17311180 ZSIAIRUKTYEKAC-IIBYNOLFSA-N 352.478 4.616 0 40 FJAB C[C@@H]1CCC[C@H](N[C@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)[C@@H]1C 20130471 RROFHMUQHXNYJT-FTIBCMOBSA-N 352.522 4.640 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 20238533 GDXNWQQPXRHTEU-ZDUSSCGKSA-N 351.924 4.729 0 40 FJAB CCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 20899977 KMUVIWWQBVOVBE-UHFFFAOYSA-N 351.406 4.541 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 22512827 HIHXTLIXQDUBBI-QFIPXVFZSA-N 351.490 4.634 0 40 FJAB Cc1occc1C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 23074825 PHDPYDDBBZWKAQ-HNNXBMFYSA-N 362.429 4.674 0 40 FJAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c(Cl)cc1Cl 24992267 UGWDIRSEOJKLJU-PELKAZGASA-N 358.162 4.983 0 40 FJAB CC(C)COc1ccc(/C=C2\SC(=S)N=C2O)cc1Br 27532005 MCHVRLMZOHOICE-SDQBBNPISA-N 372.309 4.813 0 40 FJAB CCCc1sc2nc(SCC)n(-c3ccc(OC)cc3)c(=O)c2c1C 28949147 AJWVKKPWWJCRMI-UHFFFAOYSA-N 374.531 4.829 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)N(C)c1ccccc1 29507268 YXJXLVDQNPKNPE-UHFFFAOYSA-N 352.459 4.860 0 40 FJAB O=c1c2ccccc2nc(SCc2ccccc2)n1CCc1ccccc1 30953404 DMVOKSGWUOMVOI-UHFFFAOYSA-N 372.493 4.932 0 40 FJAB COCc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2cccc(F)c12 32740539 UPFLKDHRPGGAAF-LBPRGKRZSA-N 355.434 4.778 0 40 FJAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OC1CCCC1 32787610 FEEZSMLBWNEATQ-UHFFFAOYSA-N 359.853 4.851 0 40 FJAB Cc1nc(CSCCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cs1 32809487 KZDQUXDVVVNNIU-LBPRGKRZSA-N 368.955 4.948 0 40 FJAB CCOCc1c(C(=O)Nc2ccc(N(C)C)cc2C)oc2ccccc12 40111711 QNYPZJRMXHBMBX-UHFFFAOYSA-N 352.434 4.596 0 40 FJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)c3ccccc3)c12 40130801 FASPBWRSYQSOGR-UHFFFAOYSA-N 362.477 4.649 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Br 44850516 BNZPSMDMAQRPPU-ZDUSSCGKSA-N 362.267 4.979 0 40 FJAB CCCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48310267 UEQJBEZLNNZRIK-UHFFFAOYSA-N 373.815 4.706 0 40 FJAB COC(=O)c1cc(OCc2c(F)cccc2Cl)c2cc(F)ccc2n1 65033345 VCKCFYWPROCKGL-UHFFFAOYSA-N 363.747 4.532 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CCCC2)nc1 72213954 DCIGVMAQQVMNTR-FQEVSTJZSA-N 365.477 4.910 0 40 FJAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](C)C(C)(C)c1ccccc1 75582588 BOTPSYCZVSMJHZ-CYBMUJFWSA-N 350.384 4.505 0 40 FJAB Cc1ccc(C2=C[C@@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 102405521 WWDQBTDMYVINHD-KRWDZBQOSA-N 356.351 4.661 0 40 FJAB Cc1ccc2[nH]c(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cc2c1C 116733919 SPWWJCOQWQIZFZ-UHFFFAOYSA-N 372.472 4.681 0 40 FJAB O[C@H](CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 195567239 KWMNCKCOOLDATE-CRAIPNDOSA-N 372.921 4.863 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2)cc1 216283165 YANKYEGBYCRULA-JOCHJYFZSA-N 365.860 4.933 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1Cl 216417957 HNFCIOACDLVUBT-UHFFFAOYSA-N 361.825 4.556 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219317679 YOGIYVJMUWFGQQ-PMACEKPBSA-N 367.489 4.879 0 40 FJAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224908922 GMSRUWIZCYAXDL-UHFFFAOYSA-N 371.433 4.833 0 40 FJAB Cc1ccc(CCCNC(=O)c2cc(Br)ccc2Cl)cc1 225073295 ZLOBPBRXGMMUAQ-UHFFFAOYSA-N 366.686 4.774 0 40 FJAB COc1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225298573 NPGFJPTUAFRFEP-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB CCOc1cccc([C@H]2CC(c3ccc(CC)cc3)=NN2C(=O)CC)c1 226818071 JVPBAPFYVIVGSG-OAQYLSRUSA-N 350.462 4.735 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3ccncc3)C2)cc1 257291886 QJBFYKFXPPHARJ-FQEVSTJZSA-N 372.468 4.511 0 40 FJAB O=C(CCSc1ccccc1)NCc1nc(C2CCCCC2)cs1 390832489 ZRPPHXXRDPAYQR-UHFFFAOYSA-N 360.548 4.989 0 40 FJAB O=C(O)c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 408582716 PKQFVCDWXNYVGK-UHFFFAOYSA-N 370.474 4.528 0 40 FJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1nc2ccccc2s1 618255837 AMMQUEVYVBHHDN-ZDUSSCGKSA-N 354.456 4.513 0 40 FJAB CCC[C@H]1CCc2c(sc(NC(=O)CCC3CCCC3)c2C(N)=O)C1 669282 FXCAEEMFNUSOMT-AWEZNQCLSA-N 362.539 4.661 0 40 FJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1OC 793549 GGUFOELGGWVGLH-UHFFFAOYSA-N 359.882 4.919 0 40 FJAB O=C(Nc1nccs1)c1ccc(CSc2nc3ccccc3o2)cc1 818569 MJIKTTSMEZFBNE-UHFFFAOYSA-N 367.455 4.829 0 40 FJAB Cc1c(Br)ccc(OC(=O)c2ccccc2)c1Br 1712837 JQVKTIOPSQDQSL-UHFFFAOYSA-N 370.040 4.739 0 40 FJAB O=C(CSc1ncnc2ccccc12)Nc1cc(Cl)ccc1Cl 3244299 VZFZLTLLADHOOW-UHFFFAOYSA-N 364.257 4.667 0 40 FJAB Cc1ccc(NCC(=O)c2ccc(-n3nncc3-c3ccccc3)cc2)cc1 3277594 ZFPJEAVKUUYOPE-UHFFFAOYSA-N 368.440 4.538 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2ccccc2C)nc1-c1ccccc1 4661208 PLHYHEUOTLKCQG-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB C[C@H]1CCCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)C1 4971297 QDUSVAUUGPYNFX-AWEZNQCLSA-N 356.466 4.762 0 40 FJAB Cc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147344 NOAJKXIGULZOHP-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB Cc1ccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)cc1C(F)(F)F 5552669 BTELOPPFTVEDEJ-NTEUORMPSA-N 366.364 4.593 0 40 FJAB Fc1ccc(-c2nnc(SCc3ccccc3)n2C[C@@H]2CCCO2)cc1 5630500 KMEGMFUPWFSDOC-SFHVURJKSA-N 369.465 4.556 0 40 FJAB FC(F)(F)c1nnc2n1N=C(c1ccccc1)C=C(c1ccccc1)S2 5871816 ZUEFFIPEODYDRI-UHFFFAOYSA-N 372.375 4.696 0 40 FJAB COc1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1 6641408 IYHZUJXVMKIGOB-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CC(C)[C@H](C(=O)Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1 6830939 HLQUMPNFGQWRDV-FQEVSTJZSA-N 372.896 4.555 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 6886509 BWUWCNHTZYBEKQ-UHFFFAOYSA-N 365.351 4.706 0 40 FJAB Cc1cccc(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)c1C 6968333 YHKGJQMZGQPVNK-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB COc1cccc(C(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c1 8657295 IIQCOAAQYMAIFA-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB Cc1cc(C(=O)OCC(=O)c2cccc3ccccc23)c2ccccc2n1 9258175 WTPNGJPIAPYECV-UHFFFAOYSA-N 355.393 4.736 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 10366661 PEXDMRVKJHNKTO-HUUCEWRRSA-N 352.434 4.953 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)N1CCSc2ccccc21 10646115 JYGUIEQIJWNHDG-UHFFFAOYSA-N 354.258 4.511 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2cc(C)ccc2C)sc2c1CCCC2 10700483 ISGGNMDIWVHIAR-UHFFFAOYSA-N 371.502 4.602 0 40 FJAB Cc1[nH]c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2c1C 11209110 QHSCSPDJFAEMBR-UHFFFAOYSA-N 373.412 4.882 0 40 FJAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccc(C)cc1 12397193 HUVJILQBARDCEL-UHFFFAOYSA-N 371.440 4.550 0 40 FJAB O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2ccc(Cl)cc21 12821536 KYWPYOSGUMCMFD-ZDUSSCGKSA-N 354.809 4.977 0 40 FJAB Cc1ccc(C)c(OCCSCCC(=O)N[C@@H](C)c2ccccc2)c1 12948679 SPINZNXLIOEPQJ-SFHVURJKSA-N 357.519 4.683 0 40 FJAB COc1cccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)c1OC 16378366 GTGQBWAZVNPXOP-UHFFFAOYSA-N 372.852 4.644 0 40 FJAB Clc1ccc(COc2cccc(CNC[C@@H]3CCCO3)c2)c(Cl)c1 16399602 JYFHTHCQTLZZSU-SFHVURJKSA-N 366.288 4.841 0 40 FJAB Cc1nc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Br 18210630 YZFVAHNTXYLQQE-UHFFFAOYSA-N 359.267 4.603 0 40 FJAB Cc1cc(C)cc(NC(=O)c2cccnc2SCc2c(C)noc2C)c1 23177586 ULJFCAPXDKCREG-UHFFFAOYSA-N 367.474 4.848 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(C2CC2)cs1 25560062 YRBCJGARVGYGKR-MRVPVSSYSA-N 357.262 4.733 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)c1sccc1-n1cccc1 26187741 CTXHOOKQFKTYLD-UHFFFAOYSA-N 358.492 4.690 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3Cc3ccccc3)s2)o1 31271991 PWNOJRCZDSDXOG-KRWDZBQOSA-N 366.486 4.867 0 40 FJAB Cc1nc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)sc1C 31816428 XWYJJKKDABXVHM-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB CC[C@H](C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 31961040 GBXRDUWQCDVNNK-FQEVSTJZSA-N 371.502 4.535 0 40 FJAB Cc1ccc(SCCC(=O)Nc2cc3c(cc2Cl)OCO3)cc1C 32496488 ZCOGFUFHEQFXCW-UHFFFAOYSA-N 363.866 4.806 0 40 FJAB COc1cc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)no2)cc1Cl 40088082 WEHNYESDSPXZIA-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 40478353 KXUQCIHKJYGDNL-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2F)N1CCc1ccccc1 40485555 NSBXICCYXDELRZ-JOCHJYFZSA-N 373.427 4.921 0 40 FJAB C[C@@H](Sc1ncnc2sc3c(c12)CCC3)c1nc(C(C)(C)C)no1 44092625 HGQFVAOEQXYETB-SECBINFHSA-N 360.508 4.714 0 40 FJAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 44949847 NAXUUJHVDZEGMT-HOTGVXAUSA-N 355.478 4.637 0 40 FJAB O=C(Nc1cnc2ccccc2c1)c1cccnc1Nc1cccc(F)c1 45077677 YVHAGIJICCEWLW-UHFFFAOYSA-N 358.376 4.765 0 40 FJAB CC[C@](C)(NCc1c(C)nn(-c2ccccc2)c1Cl)c1nccs1 72305188 ZAMAXPIWTYONNC-SFHVURJKSA-N 360.914 4.706 0 40 FJAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]21 100200929 UXMMJWNHLXEBLE-MCEIDBOGSA-N 355.437 4.611 0 40 FJAB Cc1ccc2c(c1)s/c(=N\C(=O)c1cc(Cl)sc1Cl)n2C 100837530 WLZGEGHXAAWBHS-VKAVYKQESA-N 357.287 4.658 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC 216454841 WAONJZCPXVFRQJ-AWEZNQCLSA-N 367.470 4.976 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219360906 YNTJLNRUKKUTJA-SFTDATJTSA-N 355.478 4.737 0 40 FJAB CCCc1ccc(OCCNC(=O)CCSc2ccc(C)cc2)cc1 223441787 AWMJCDBSODYCNX-UHFFFAOYSA-N 357.519 4.625 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 224406021 DNSZIUNZAAYOLX-UHFFFAOYSA-N 353.340 4.503 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 225469443 ZFURCXCAEMVBFB-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB Cc1ccccc1CSCCCNC(=S)Nc1c(F)cccc1F 225601166 PCSFJZPJNRYQAJ-UHFFFAOYSA-N 366.502 4.883 0 40 FJAB O=C(CSCc1ccccc1)N1CCc2cc(-c3ccncc3)ccc21 225638383 DTANZHXQDZLZRB-UHFFFAOYSA-N 360.482 4.571 0 40 FJAB O=C1CCCCN1Cc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1322824370 MWDOIHFTJOJRHV-UHFFFAOYSA-N 367.836 4.570 0 40 FJAB CC1=C[C@H](O)[C@H](C(C)C)[C@H](OCC(=O)c2ccc(O)cc2)CC(C)=CCC1 1559556393 HDAGALPNSCGMSL-WWNPGLIZSA-N 372.505 4.670 0 40 FJAB CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)CC)C2 671047 IQFDXGAFSHQPFF-CYBMUJFWSA-N 364.555 4.763 0 40 FJAB Cc1ccc2nc3sc(C(=O)Nc4nc(C)c(C)s4)c(N)c3cc2c1 1342761 WOVSOHSJOXAQDL-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB Cc1c2c([nH]c3ccccc32)c2c([n+]1Nc1ccccc1)CC(C)(C)CC2=O 2101812 HEYLRSADIFHCTO-UHFFFAOYSA-O 370.476 4.947 0 40 FJAB Cc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 3432269 MHKVUUIVHZARRL-UHFFFAOYSA-N 373.528 4.703 0 40 FJAB C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)C1 4777138 ZVCDZKFBGOPISW-FMKPAKJESA-N 369.896 4.525 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 4855991 WUYKWGBQZCUCIQ-NBMJBFSESA-N 353.849 4.522 0 40 FJAB CCOc1ccc(-c2nnc(SCc3ccc(OC)c(F)c3)o2)cc1 5170047 PFKXDYZZZOQRJU-UHFFFAOYSA-N 360.410 4.575 0 40 FJAB CCc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(C)cc3)[nH]2)cc1 5179972 FYGVIGNWPKNRJF-CQSZACIVSA-N 351.475 4.706 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c(C)c1 6203519 VUOHRJNVEUKVLV-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 6223807 NNRPYTMJBLMKBA-GFCCVEGCSA-N 371.487 4.758 0 40 FJAB CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccoc1C 7978397 RKCZAAVMVPNTHP-UHFFFAOYSA-N 356.476 4.768 0 40 FJAB COc1ccccc1-c1nc(-c2cccc(N3CCCC3=O)c2)cs1 8296919 RETFOUIGKZBRCB-UHFFFAOYSA-N 350.443 4.613 0 40 FJAB Cc1nc(-c2cccs2)sc1C(=O)NCCSCc1ccccc1 8369217 ZQRUVCRMIYKTRR-UHFFFAOYSA-N 374.556 4.843 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)NC(c1ccccc1)c1ccccc1 8480674 UYBHYGJBVIDENW-HXUWFJFHSA-N 363.432 4.889 0 40 FJAB CCCCOc1ccc(C(=O)/N=c2\[nH]c3ccc(OCC)cc3s2)cc1 8743256 WCZBQSCJRKAKPZ-UHFFFAOYSA-N 370.474 4.548 0 40 FJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 9135033 HPVCTLJANYTVFS-UHFFFAOYSA-N 372.424 4.843 0 40 FJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)cc1 10156577 BDMFQZRBOYKEHI-KRWDZBQOSA-N 373.456 4.758 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1F 12810597 AUMXCPCFKHTUKA-ZDUSSCGKSA-N 366.436 4.685 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1cc2c(C)nn(CC(C)C)c2s1 12907178 CXXVSZDSYJZVFP-ZDUSSCGKSA-N 371.506 4.562 0 40 FJAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4cc[nH]c4c3)s2)c1 13735380 MOKMCTRDDSVGEW-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 15330339 ICIDXXNEINOBPB-KRWDZBQOSA-N 351.471 4.534 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1Cl 15870435 NHRRHLDUOIKPES-UHFFFAOYSA-N 350.123 4.986 0 40 FJAB Cc1ccc(S(=O)(=O)/N=[S@@](/c2ccccc2)c2ccccc2C)cc1 17172994 OCEOKSRLEDBGRQ-XMMPIXPASA-N 369.511 4.912 0 40 FJAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3ccc(F)cc3F)c2C)cc1 17316058 SKPPCTCAXAOXPN-OAHLLOKOSA-N 369.459 4.986 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc[nH]2)o1 18365709 XOPMXYWTKHBLKD-OLZOCXBDSA-N 370.478 4.698 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccn3C)no2)cc1 19291133 JDDPRPPZEQVYHX-NRFANRHFSA-N 365.477 4.806 0 40 FJAB 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CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)cc1 898580 YOQJNTLCWBOZPE-OAHLLOKOSA-N 364.470 4.865 0 40 FJAB c1ccc(-c2nn3cc(-c4ccc5c(c4)OCCO5)c4c3n2CCCC4)cc1 1100635 FGKHVPDLMBFDDP-UHFFFAOYSA-N 371.440 4.577 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2s1 1438318 GFWJZSQZVWUJEU-PWSUYJOCSA-N 354.928 4.737 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1 2723061 CVOJLHFIUGTXBK-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc2ccccc12 3309532 OIOWRUGOELXUIY-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2 3651742 MJNPLQJFUDZGCM-UHFFFAOYSA-N 370.861 4.823 0 40 FJAB aggregator CCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033334 JMHVEFDYDYOKHU-CYBMUJFWSA-N 373.378 4.596 0 40 FJAB COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Br)cc1 4115928 UNPTXVIAIOQYBT-UHFFFAOYSA-N 358.235 4.913 0 40 FJAB O=C1/C(=C/c2ccc(F)cc2)N=C(c2ccccc2)N1Cc1ccccc1 4567371 YFWNKNJAFPOOGD-QNGOZBTKSA-N 356.400 4.656 0 40 FJAB CCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccc(C)cc2)s1 4880587 HTQIPGVRIWVOFO-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB O=c1c(Oc2ccccc2Cl)c(C(F)(F)F)oc2cc(O)ccc12 5636943 BFBFOFMWNXVUDJ-UHFFFAOYSA-N 356.683 4.963 0 40 FJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1 6519818 MTALOIIHTJNDFD-UHFFFAOYSA-N 357.413 4.556 0 40 FJAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 6790544 OBVDPSCYAYYLKH-UHFFFAOYSA-N 373.452 4.888 0 40 FJAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1Cl 7922145 MFHMEEMFHMUNSL-CYBMUJFWSA-N 373.909 4.890 0 40 FJAB COc1cccc(CNCCc2ccccc2)c1OCc1ccc(F)cc1 8495382 RPGGNFUYOIKXRD-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB COc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1ccc(C)c(C)c1 8762434 IURROUNWDVLKKS-DEOSSOPVSA-N 359.469 4.760 0 40 FJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)CCC3CCCC3)ccc21 8958830 YMINSVRHXPADLJ-UHFFFAOYSA-N 372.509 4.757 0 40 FJAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 8992723 YBBZVTUVKODZDH-FLVLSHQESA-N 368.440 4.516 0 40 FJAB CCc1ccc(-c2ccc3nnc(SCc4ccc(F)cc4)n3n2)cc1 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FJAB Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1 35527773 IQSJJZCRTJRGCO-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB CC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(OC)cc1 44841260 BXCSBVRUNJCMMB-OAQYLSRUSA-N 352.478 4.567 0 40 FJAB CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44911200 OJLGYLLGVRDTBV-KRWDZBQOSA-N 372.896 4.589 0 40 FJAB Cc1nc2cc(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)ccc2o1 48231591 FWCPNHOYPPUFIO-UHFFFAOYSA-N 368.462 4.764 0 40 FJAB COc1ccc(NC(=O)Nc2ccc(Br)cc2F)c(C)c1 51355905 OZDCPKIESCHLMU-UHFFFAOYSA-N 353.191 4.549 0 40 FJAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)c1ccccc1C(F)(F)F 69323591 QAAYOOKXCNMCAC-QGZVFWFLSA-N 357.331 4.552 0 40 FJAB COc1cc([C@@H]2SCC(O)=Nc3ccsc32)ccc1OC(F)F 71279918 WONQJQCTGVFHHV-ZDUSSCGKSA-N 357.403 4.782 0 40 FJAB Cc1ccc(CN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 72389938 OPGNXEUXOJSCNM-UHFFFAOYSA-N 353.491 4.795 0 40 FJAB C[C@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1ccc(-c2cncnc2)cc1 73248837 GGUHJRPHHQNLRK-BXKMTCNYSA-N 371.484 4.615 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1 89641061 DXBZATBYQGKJIZ-MJGOQNOKSA-N 357.519 4.785 0 40 FJAB COc1ccc(CCC(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612151 NXEYLNJQOMKPFU-UHFFFAOYSA-N 355.459 4.511 0 40 FJAB O=C(c1ccccc1)[C@H](C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 100187299 PTPGUPXRGOETLV-SFIVQVFOSA-N 350.380 4.833 0 40 FJAB CCOc1ccc(-c2nn(Cc3ccccc3)c(N)c2CC)cc1OCC 199750409 PUWSZTBXMWFBNQ-UHFFFAOYSA-N 365.477 4.540 0 40 FJAB O=C(NCc1cccs1)N1CCS[C@@H](c2ccccc2Cl)CC1 211147148 QNHPPRDDRYGWGO-MRXNPFEDSA-N 366.939 4.791 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CCS[C@@H](c2ccccc2F)CC1 219078062 UIOGMSANJHMUFF-QGZVFWFLSA-N 372.490 4.756 0 40 FJAB CCc1ccc(CC)c(CNC(=O)CCCOc2ccc(Cl)cc2)c1 222746732 ZDDPFUVUNZRKNE-UHFFFAOYSA-N 359.897 4.940 0 40 FJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222913961 MIKSVFIWHVRSOA-VQTJNVASSA-N 368.550 4.627 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(C)c1 223720604 BZJJTDJUXYNKIL-UHFFFAOYSA-N 359.535 4.730 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224452981 FRDRKDDFWVYRPZ-ROUUACIJSA-N 369.877 4.814 0 40 FJAB CC(C)Sc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 224627679 GAHUXYNUQLAGIY-UHFFFAOYSA-N 368.546 4.713 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225655791 MBPXLVWNKJSUOD-UHFFFAOYSA-N 355.434 4.556 0 40 FJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225701572 KRJJWYMLALAPBQ-AUUYWEPGSA-N 371.905 4.678 0 40 FJAB Cc1ccc(OCCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 243725746 PQOWJQQRYDLSAE-UHFFFAOYSA-N 351.490 4.635 0 40 FJAB O=C(Nc1ccccc1)[C@H](NCCc1ccccc1)c1ccc(Cl)cc1 408734073 HZACNJDFTPQVEW-OAQYLSRUSA-N 364.876 4.852 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(F)cc1)N2 409001535 WKUQWUZAMGPZOL-BVSLBCMMSA-N 359.400 4.995 0 40 FJAB CCCc1c(C(=O)Nc2ccc(Cl)cc2)cnn1Cc1ccccc1 514428387 WVOCGURQHASOAU-UHFFFAOYSA-N 353.853 4.790 0 40 FJAB Cc1cnc(-c2noc([C@@H]3C[C@H]3c3ccc(Br)cc3)n2)s1 574152146 DXYJEUFDACWQQH-NWDGAFQWSA-N 362.252 4.535 0 40 FJAB Cc1cccn2cc(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc12 644334 QGYPVRQMJBYPQU-UHFFFAOYSA-N 363.367 4.840 0 40 FJAB Cc1sc(-c2ccc(Cl)nc2)nc1OC(=O)c1ccc(F)cc1F 1385780 LZWUQOMXRRYAFQ-UHFFFAOYSA-N 366.776 4.664 0 40 FJAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4672118 DNXDLUMYUYPPCF-NSDYXAQKSA-N 368.496 4.879 0 40 FJAB COc1cc(C(=S)N2CCCCCC2)ccc1OCc1ccccc1 4816028 GXXKEESEYBLAJK-UHFFFAOYSA-N 355.503 4.826 0 40 FJAB Cc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4C)c3C)n2)cc1 7006599 FFPHGLHGAMKBMV-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc2ccccc2o1 7389380 GYQPCZHXIYFAOS-UHFFFAOYSA-N 369.380 4.566 0 40 FJAB Cc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1-c1nccs1 7483152 FENBQTVJOHCANB-UHFFFAOYSA-N 364.829 4.605 0 40 FJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCc4ccccc43)sc2n1 7989287 KJYMTZIRQSNVJA-UHFFFAOYSA-N 373.481 4.907 0 40 FJAB Cc1c(C(=O)Nc2nnc(Cc3ccccc3)s2)oc2c(F)cccc12 8210597 MHUUCIZFRYNMTE-UHFFFAOYSA-N 367.405 4.575 0 40 FJAB COc1ccc(OCCN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1 8306237 ZODITCUPQHRPGZ-UHFFFAOYSA-N 361.441 4.513 0 40 FJAB O=C([C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1)N1CCCC1 8424965 ROBYAMLRFNZIDQ-KRWDZBQOSA-N 371.893 4.672 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2ccccc2C)c1 8571169 FOSMKBHWPBFRBY-UHFFFAOYSA-N 370.840 4.546 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)Nc3cccc(C)c3)C(C)C)n2)cc1 9200941 BYEPEZAUURTFAX-UHFFFAOYSA-N 364.449 4.796 0 40 FJAB O=C(CSCCOc1ccccc1)Nc1ccc(Cl)c(Cl)c1 9910083 YZAWDFWQDLTKAP-UHFFFAOYSA-N 356.274 4.744 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 9946762 NNJQMTWJXKFLMM-MRXNPFEDSA-N 365.502 4.737 0 40 FJAB Nc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2ncccc12 10010828 BYPRTNYTTAHVKS-UHFFFAOYSA-N 361.426 4.923 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 10492491 RVTWEXKNFHACJK-UHFFFAOYSA-N 374.412 4.869 0 40 FJAB Cc1ccc(CCC2CCN(C(=O)/C=C/c3csc(C)n3)CC2)cc1 10582898 UTWNPSUNPANADO-MDZDMXLPSA-N 354.519 4.645 0 40 FJAB COc1cc(NC(=O)c2nc(-c3ccccc3F)sc2C)cc(OC)c1 11691892 VZICCFSSZWGQEX-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C(C)C)c2)cc1 11869365 RXKLWKUKEWPVMT-UHFFFAOYSA-N 366.490 4.678 0 40 FJAB CC[C@@H](NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2)c1ccc(F)cc1 12199869 KNRASJJVPHQBMI-QGZVFWFLSA-N 371.452 4.692 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2N2CCCCC2)c1 12522985 WKKNMKRPZAWISF-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB CCCCc1noc(CN2CCc3sccc3[C@H]2c2ccccc2)n1 12777650 JMJMSMZPYMTJNI-HXUWFJFHSA-N 353.491 4.621 0 40 FJAB CC(C)(C)c1nc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)no1 12847163 FGBDBMIARPIYFK-UHFFFAOYSA-N 370.836 4.831 0 40 FJAB O=C(/C=C/c1cc(Br)ccc1OC(F)F)Oc1ccccc1 14169541 SKKDPIYXZHRTLS-RMKNXTFCSA-N 369.161 4.669 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccccc1 14259877 UFFRBIQYUFEPBW-UHFFFAOYSA-N 363.844 4.843 0 40 FJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccn2)cc1 14866784 VTYQLAPSEQPXQP-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c2cccnc12 15840853 BIWNABCYIKIZTD-GOSISDBHSA-N 368.408 4.569 0 40 FJAB CCOc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 16969399 ROVSLLMQUFFLAM-UHFFFAOYSA-N 369.424 4.948 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 17073199 FYPSVAZDRWYOEB-UHFFFAOYSA-N 353.447 4.596 0 40 FJAB O=C(NCCC1=CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 20100355 MEWGUUKOEMFQMR-UHFFFAOYSA-N 360.929 4.559 0 40 FJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(C[C@H](C)c1ccccc1)C3 20610004 CYLHFDZDCWVPSE-INIZCTEOSA-N 363.457 4.701 0 40 FJAB biogenic CSc1ccc(-c2csc(NC(=O)C(=O)c3ccc(C)cc3)n2)cc1 21677719 DZOOXPMZYIQWDX-UHFFFAOYSA-N 368.483 4.662 0 40 FJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 21836310 PCMLNEZRMVAOFY-INIZCTEOSA-N 368.260 4.648 0 40 FJAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1csc(-c2ccccc2)n1 24832976 WXJURWHMFNHDHZ-OLZOCXBDSA-N 354.397 4.661 0 40 FJAB CC(=O)NCCc1ccc(-c2csc(-c3sccc3C)n2)cc1F 30447131 IUYPCPCPGJXPCS-UHFFFAOYSA-N 360.479 4.665 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 30864514 ZUDZEEMBHGDPTD-DYESRHJHSA-N 369.505 4.929 0 40 FJAB CCC[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 32847910 LSMKYIXPVDGCFP-LBPRGKRZSA-N 357.322 4.582 0 40 FJAB CCCc1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 36559087 UWHZSVOPBWDYJO-UHFFFAOYSA-N 355.821 4.572 0 40 FJAB C[C@@H](O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 39210060 AMCBMIZVYBLKQA-LJQANCHMSA-N 354.453 4.777 0 40 FJAB O=C(NCCc1cccc2cccnc12)c1cc2c(s1)CCCCC2 39540072 PRLJHNZMGIOOBQ-UHFFFAOYSA-N 350.487 4.538 0 40 FJAB Cc1cccc(CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 57129791 XKPVRJPKGAHALR-UHFFFAOYSA-N 352.865 4.647 0 40 FJAB CN(C)C(=O)c1csc(-c2csc(Nc3ccc4c(c3)CCC4)n2)c1 58471927 VXFPNOPKMOEAGV-UHFFFAOYSA-N 369.515 4.806 0 40 FJAB CCCCCCCCCCCCCCCC(=O)N1CC[C@@H](O)[C@H]1C(=O)O 59994901 FMUMUAYILUQEQG-QUCCMNQESA-N 369.546 4.514 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 62922235 SOQFMHXIAYAJEC-KUHUBIRLSA-N 356.466 4.568 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2ccc(Cl)cc2o1 69613845 NDWVJDQPFJKSFW-GFCCVEGCSA-N 360.866 4.793 0 40 FJAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2Cc2cnn(C)c2C)n1 72372453 FEHVLNLSJWBTTG-XMMPIXPASA-N 374.532 4.668 0 40 FJAB CCC1CCC(N(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C2CC2)CC1 78282052 HQNVFQONFGJJPB-CUYAVPTFSA-N 368.521 4.537 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(-n2cccc2)c1 95369261 IZYIRNLVRZBNEI-UHFFFAOYSA-N 363.442 4.683 0 40 FJAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 100750193 PUXUBPSPQPJCSC-ZRCGQRJVSA-N 371.569 4.577 0 40 FJAB Cc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccc(F)cc3)CC2=Nc2ncnn21 102657025 MFCLOOGMGDEZEY-QVKFZJNVSA-N 374.419 4.791 0 40 FJAB Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3c3ccco3)c2)cn1 116046919 HVSFPXARVKGLJI-HXUWFJFHSA-N 362.429 4.539 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 136813301 YGKSWRFCMZRVMU-WVYKEMLSSA-N 374.521 4.624 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(C)c1 223114809 HKJLLLUODMFOAS-KSSFIOAISA-N 361.869 4.692 0 40 FJAB CC(C)Sc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 224078032 RBMPZCDEHKRLQW-UHFFFAOYSA-N 355.488 4.958 0 40 FJAB CCn1c2c(s/c1=N\C(=O)c1ccccc1Cl)CCc1ccccc1-2 408562695 RKRBFWBCCCVWCG-XDOYNYLZSA-N 368.889 4.730 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1Cl 408866882 IZTQBOUWYRDOLQ-AWEZNQCLSA-N 365.951 4.870 0 40 FJAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409033354 FDADLYZDEOLZBJ-DHDCSXOGSA-N 363.269 4.598 0 40 FJAB CC[C@@H](C)n1ncc(NC(=O)c2ccc(F)c3ccncc23)c1C1CC1 613123349 OTFHJJMLSZJMKI-GFCCVEGCSA-N 352.413 4.671 0 40 FJAB Clc1ccccc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501040173 CIKKRFHCNWGYRY-UHFFFAOYSA-N 372.906 4.940 0 40 FJAB CCc1ccc(C2=CCN(C(=O)Nc3ccc(OC(F)F)nc3)CC2)cc1 1624142713 JWYVWRYYAGPMOD-UHFFFAOYSA-N 373.403 4.567 0 40 FJAB CC(=O)N1CCCCCCN(C(=O)c2ccc(C)cc2)Cc2ccccc21 2037884984 NPYOWXDRXHEYAP-UHFFFAOYSA-N 364.489 4.564 0 40 FJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1Cl 1003686 ZPRQHEUJOBYFIT-UHFFFAOYSA-N 356.853 4.655 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 1267921 AFJOZBXDMQXNEH-UHFFFAOYSA-N 373.412 4.929 0 40 FJAB O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)c1ccc(F)cc1 1329640 HQLOIBJYFHICDW-UHFFFAOYSA-N 363.417 4.739 0 40 FJAB CCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2cccc(C)c2)s1 1345415 QHYKXLXRJOILEA-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 1855530 XEVNNCVKGIDBNE-UHFFFAOYSA-N 360.497 4.555 0 40 FJAB O=c1cc(-c2cc3cc(Br)ccc3o2)c2cc(O)ccc2o1 2137664 HJGVJZBRJMFFTG-UHFFFAOYSA-N 357.159 4.674 0 40 FJAB biogenic CC(C)Cc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1CCC2 2236455 BTIBUWDGZIKXFM-UHFFFAOYSA-N 366.534 4.917 0 40 FJAB Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cccc(Cl)c1C 2451557 DIIAKZGQOLADQL-UHFFFAOYSA-N 357.910 4.967 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 2452130 HLDYZTLAWZFFBE-UHFFFAOYSA-N 372.490 4.729 0 40 FJAB CCCCNC(=S)Nc1ccc(NC(=S)NCCCC)c(Cl)c1 3239201 LAMBQGHWKHBIOD-UHFFFAOYSA-N 372.991 4.513 0 40 FJAB COc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)CSC3)cc1 4088802 LTJQZKZYQMIMPJ-UHFFFAOYSA-N 371.506 4.537 0 40 FJAB O=C(Cc1ccccc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162445 HRBLZXDYISSCKE-UHFFFAOYSA-N 370.408 4.866 0 40 FJAB CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nc2ccccc21 4289399 OLWRSXOQOAOQIW-MRXNPFEDSA-N 367.518 4.643 0 40 FJAB CCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 4479458 BLNXHNMZQATAEP-UHFFFAOYSA-N 365.433 4.785 0 40 FJAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccc(Cl)cc2)cc1 4600887 KCUDHBKZLOGBGM-GOSISDBHSA-N 373.880 4.512 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1 5099340 SJROTQPLKOMJPC-UHFFFAOYSA-N 374.440 4.742 0 40 FJAB CCCn1c([C@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235905 WBFOHHSIVRYVCE-HNNXBMFYSA-N 367.880 4.929 0 40 FJAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc2ccccc2c1 5778486 QKKREEZUVINHQK-UHFFFAOYSA-N 352.242 4.947 0 40 FJAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)c1 6243176 FJKUIUJVHSZGCW-CQSZACIVSA-N 356.491 4.726 0 40 FJAB CCCCn1nc(C)c(C(=O)N[C@@H]2CCSc3ccccc32)c1Cl 6852790 WOKLSVDRHXFREV-CQSZACIVSA-N 363.914 4.612 0 40 FJAB CCCn1c(NC(=O)c2cccnc2Oc2ccccc2)nc2ccccc21 7738314 DUEWEPIEEFQJHA-UHFFFAOYSA-N 372.428 4.886 0 40 FJAB O=C(CCCSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccs1 8230481 LJLMAMLAIXHNDT-UHFFFAOYSA-N 369.515 4.961 0 40 FJAB COc1ccc2nc(/C=C/c3cc(OC)c(OC)cc3OC)sc2c1 8322219 HBZLHPJHAXMIBX-VMPITWQZSA-N 357.431 4.501 0 40 FJAB Nc1nc(SCc2nc3ccccc3o2)nc2sc3c(c12)CCCC3 8458417 SIJMYQRIBZXWSV-UHFFFAOYSA-N 368.487 4.586 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 12137658 ILNLKSULUPXYLX-NRFANRHFSA-N 374.440 4.735 0 40 FJAB CC(C)(C)c1ccc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12732261 BZXYOOKMNDBYJZ-NRFANRHFSA-N 351.490 4.517 0 40 FJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2[nH]1 12749648 HRRSZXKWSKIFCV-UHFFFAOYSA-N 369.396 4.746 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 12917785 SMHDCPWCCDGFNO-XLNAKTSKSA-N 352.434 4.812 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Br)cc2C)cc1 13795277 ABNLOOAOIJAMEG-UHFFFAOYSA-N 351.269 4.575 0 40 FJAB COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1Cl 14412472 BJAFPIODQOJJFH-LBPRGKRZSA-N 363.866 4.554 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)c(OCC)c1 14646703 JZHBYZRAVDRJHZ-UHFFFAOYSA-N 356.466 4.583 0 40 FJAB CC(C)Oc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 14796284 RBTVYSGJQXLRMH-UHFFFAOYSA-N 354.233 4.798 0 40 FJAB C[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc3ccccc23)C1 19908692 HZFTZVFMYVICGI-QGZVFWFLSA-N 372.468 4.964 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)cc1 20105395 UDBRGTORKWKALR-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC)cc1 20491148 ABFQZCNZVQZZFV-GOSISDBHSA-N 363.910 4.578 0 40 FJAB Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3c(C)cc(C)cc3C)o2)c1 22886018 KWPJZMLZVKCYSS-MRXNPFEDSA-N 350.418 4.888 0 40 FJAB COc1ccc(-c2nc(CSc3ccc(F)c(Cl)c3)no2)cc1 24046953 JJAXFFCFWLNJBI-UHFFFAOYSA-N 350.802 4.830 0 40 FJAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ccccc3Br)cc12 27972539 BGKVYFRCBLFQDW-UHFFFAOYSA-N 357.251 4.810 0 40 FJAB CCOCc1c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)oc2ccccc12 29351220 NFDUANWEPVKQEN-UHFFFAOYSA-N 367.430 4.673 0 40 FJAB CC(=O)N1CCc2cc(NC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)ccc21 32722086 SMHBGFWXPSRFPU-HXUWFJFHSA-N 370.880 4.627 0 40 FJAB Cc1nc(CSCCC(=O)N[C@H](C)c2cccc(Cl)c2)cs1 32796507 RDMPZVJQQBMWTP-LLVKDONJSA-N 354.928 4.606 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 36611884 NRJXMJQLBQRULH-CYBMUJFWSA-N 350.487 4.638 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38833457 DLIURSFFQPDCRL-GOSISDBHSA-N 356.897 4.808 0 40 FJAB CSc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39747365 XCSOKOMKMJGDRW-UHFFFAOYSA-N 354.519 4.568 0 40 FJAB CC(C)Oc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1Cl 40133232 XJJCPRDPHZLMTA-UHFFFAOYSA-N 365.861 4.595 0 40 FJAB Cc1nc(CSCCC(=O)N2CCC[C@H]2c2ccsc2)cs1 46915200 JPRVERSFPWVFSH-HNNXBMFYSA-N 352.550 4.500 0 40 FJAB COc1cccc(C[C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1 48290930 ZBJGOSXLDCIFGY-HXUWFJFHSA-N 366.436 4.696 0 40 FJAB CCCc1ccc([C@@H](NC(=O)Nc2cc(C)on2)c2cccs2)cc1 48326168 SVHABHAPUMKZHO-GOSISDBHSA-N 355.463 4.908 0 40 FJAB O=Cc1ccc(-c2nc3sc(-c4ccc(C=O)cc4)nc3s2)cc1 48547367 FOFMCTQIACZETH-UHFFFAOYSA-N 350.424 4.712 0 40 FJAB C[C@@H](c1ccccc1)n1cnnc1SCc1ccc(F)c2cccnc12 53840944 KBPUAZXOYJFZIK-AWEZNQCLSA-N 364.449 4.867 0 40 FJAB CC(=O)c1ccc(SCC(=O)N(C2CCCC2)C2CCCC2)c(F)c1 58306876 RQJFVTRGRRXEKQ-UHFFFAOYSA-N 363.498 4.834 0 40 FJAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 59483686 WWSZVZXEPWYBLD-QFIPXVFZSA-N 358.441 4.852 0 40 FJAB O=C(/C=C/c1cnccn1)Nc1ccc(Sc2ccccc2Cl)cc1 65569464 RKBCQNJNQZUCJE-JXMROGBWSA-N 367.861 4.933 0 40 FJAB CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)C1CCC1 67890022 OOGXCUDTLAKPDA-XLIONFOSSA-N 358.526 4.671 0 40 FJAB biogenic,in-vitro Cc1ccc(F)c(NC(=S)Nc2ccc(F)cc2Br)c1 71760517 DBFKALWNGZAXFD-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB CC[C@@H](Nc1ncnc2scc(-c3ccc(C)cc3)c12)c1nc(C)n[nH]1 72310999 PCVIZWPIVKODMK-OAHLLOKOSA-N 364.478 4.656 0 40 FJAB CCN(Cc1cccc(Cl)c1)C1CCN(C(=O)CC(C)(C)C)CC1 95467795 KWGVUQWDRSRWOQ-UHFFFAOYSA-N 350.934 4.589 0 40 FJAB O=C(C1[C@H]2CCCC[C@H]12)N(Cc1ccc(Cl)cc1)Cc1cccnc1 100731373 FBMUGLXSPSWBRF-OALUTQOASA-N 354.881 4.700 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4[C@H](O)C[C@@]32C)OCCO1 118931420 SXJDNUFKBLXQHF-JHJXUOQBSA-N 362.554 4.769 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCC 224696182 OHJXBJGJCJUNNV-UHFFFAOYSA-N 367.367 4.893 0 40 FJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)ccc1F 224888498 OQGSLJCGBGQLPA-QZTJIDSGSA-N 369.490 4.768 0 40 FJAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224959235 LLZNZYRTJMIELE-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534946 HLGAHDXQTRULIB-UHFFFAOYSA-N 367.489 4.943 0 40 FJAB CC(C)Oc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812589 FSRPSSNINRHMHK-UHFFFAOYSA-N 353.340 4.510 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 408573388 DNMQMZGPJJBMKE-HNNXBMFYSA-N 370.518 4.643 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC 409373819 VBRCKNSAWOUWFA-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB CC(C)c1ccc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)cc1 524729656 CHJAQGFQHKLEJW-UHFFFAOYSA-N 362.381 4.957 0 40 FJAB biogenic CC(C)=CC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1154171109 JKIJNIVDBSEICY-LJQANCHMSA-N 358.279 4.963 0 40 FJAB CCOc1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1F 1622930993 PLQNWSZSYNHBPL-DOTOQJQBSA-N 356.441 4.709 0 40 FJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1OC 643385 RPIWFPULXXTFSY-QFIPXVFZSA-N 374.440 4.783 0 40 FJAB Clc1ccc(-c2nc3ccc(Cl)cn3c2NC[C@@H]2CCCO2)cc1 888779 LKDNTBMRPZKHID-HNNXBMFYSA-N 362.260 4.899 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)c(C)c1 1001283 ZDJGCTLDNVWSKP-UHFFFAOYSA-N 374.469 4.931 0 40 FJAB CCc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 2723704 PEJHRUXILOZEIO-UHFFFAOYSA-N 371.893 4.819 0 40 FJAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccc2ccccc2c1 3276342 ICBSRONPICOPCK-ZRDIBKRKSA-N 365.816 4.688 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 3343647 FIWYETXOSQQXCG-UHFFFAOYSA-N 369.339 4.635 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccccc2Nc2ccc(F)cc2)c1 3451200 APIVQLFUFIDJEF-UHFFFAOYSA-N 366.392 4.839 0 40 FJAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc(F)c1 4077225 AJFFBBBVZUOQRK-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccccc1Cl 4386184 SWLODBZWUVEDAB-GOSISDBHSA-N 358.869 4.992 0 40 FJAB CCOc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 4908140 VZZTUZKLYWXFJM-LPHOPBHVSA-N 358.825 4.508 0 40 FJAB O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)cc1 5752959 IDJUPXOMTOPTGQ-UHFFFAOYSA-N 360.891 4.808 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccs2)cc1 6679084 FUGOKBUSXOKKAF-SUMWQHHRSA-N 369.515 4.714 0 40 FJAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1Cl 6743446 DFKOURZLFKEAGG-UHFFFAOYSA-N 369.896 4.587 0 40 FJAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 7028218 ASYCXDRICOAEJC-ZDUSSCGKSA-N 352.459 4.798 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccco1 8720069 LSTRVAQMYMJKKP-UHFFFAOYSA-N 353.328 4.944 0 40 FJAB Cc1ccc2cc(CNc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 12088283 JFDHRGYDLAWNRQ-QGZVFWFLSA-N 361.489 4.685 0 40 FJAB O=C1C[C@H](c2ccccc2OCc2ccc(F)cc2)c2sccc2N1 12375456 ZZLAJJRMOJNZAA-MRXNPFEDSA-N 353.418 4.940 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1C 12610260 AROYTMPZPTUUAV-ZHACJKMWSA-N 359.429 4.652 0 40 FJAB CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12732385 VLKJDQIXBYCAOF-HXUWFJFHSA-N 365.473 4.949 0 40 FJAB Clc1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13721881 RNIKTROQLSGLPA-UHFFFAOYSA-N 363.833 4.721 0 40 FJAB Cc1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)s1 14241313 XHJLXLXJESGSSV-INIZCTEOSA-N 359.545 4.649 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)c1C 15832379 TUPJVGIUJCOONM-MRXNPFEDSA-N 366.486 4.511 0 40 FJAB CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 18941302 ZKUGPWOLVLTEHO-UHFFFAOYSA-N 364.879 4.502 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1C 19881482 MJQGISAYYDOEEU-UHFFFAOYSA-N 362.404 4.947 0 40 FJAB CCc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 20897466 FMGJLDBYTMQQOL-OAHLLOKOSA-N 372.534 4.874 0 40 FJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)c1 21801155 LUXRVRPXAKRGPX-UHFFFAOYSA-N 353.429 4.660 0 40 FJAB COc1cc(C)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 24107215 AXPDDCCBQFCLDR-UHFFFAOYSA-N 374.651 4.981 0 40 FJAB O=c1nc2c(c(-c3ccccc3)[nH]1)[C@H](c1cccs1)Nc1ccccc1N2 26770552 BVUNZDNHMRHFRA-IBGZPJMESA-N 372.453 4.757 0 40 FJAB O=C(Nc1c(F)cccc1F)c1cc(-c2ccccn2)nc2ccccc12 32090576 IHECHUNKORJULE-UHFFFAOYSA-N 361.351 4.827 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(F)cc1Cl 32760511 ROGPNTCQYZYUFI-LLVKDONJSA-N 367.829 4.607 0 40 FJAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1 38486903 MWYNCBNZMHZODO-UHFFFAOYSA-N 367.865 4.602 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(OC)c1 38757164 SLXHNXRMSWAXFR-KRWDZBQOSA-N 365.882 4.867 0 40 FJAB Cc1c(C(=O)N(Cc2cccs2)C(C)C)cnn1-c1cccc(Cl)c1 71868069 GTGAKIHUAOICEG-UHFFFAOYSA-N 373.909 4.946 0 40 FJAB COc1ccc(C[S@](=O)Cc2csc(C3CCCCC3)n2)cc1F 83953185 BUSVAWGODPULGQ-XMMPIXPASA-N 367.511 4.787 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cccc(Cl)c1 96119863 INBBWOMCUJREJL-UHFFFAOYSA-N 355.846 4.563 0 40 FJAB c1ccc2sc(CNCc3ccc(OCc4ccncc4)cc3)nc2c1 96747830 LUOJLQMIUJZWNQ-UHFFFAOYSA-N 361.470 4.560 0 40 FJAB Cc1nn2c(c1-c1ccccc1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 102660757 DNXXODDPIMFDSZ-OAQYLSRUSA-N 356.429 4.925 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@@H](C)C3)c(C)cc2N)cc1 216867613 BWMNABFPYPLVMU-IYBDPMFKSA-N 351.494 4.620 0 40 FJAB Cc1ccccc1CSCCNC(=O)COc1cccc2ccccc12 218909635 FTMSDWRFWQQFGE-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(OC)c(OC)c1 218999969 JBYOQHJQKKSKLK-SFHVURJKSA-N 373.518 4.595 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219323646 MWUNGIBOJFYVHL-MSOLQXFVSA-N 373.880 4.916 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 222866438 ASJLFEWZMRBCTI-RTBURBONSA-N 353.462 4.571 0 40 FJAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)s1 222936503 AINVLIQRNFYBCV-GFCCVEGCSA-N 373.503 4.599 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 222998425 CCFSVNVNLDNBIM-QFIPXVFZSA-N 369.505 4.609 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccccc2OC)c1 224581590 JVGTVLTVEIDJGZ-INIZCTEOSA-N 371.477 4.591 0 40 FJAB Nc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Br 226343778 KAMHMTISCPTKGP-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB Oc1cccc(C2=NN3[C@H](c4ccco4)Oc4ccc(Cl)cc4[C@H]3C2)c1 244970292 HRPLUBCGJLYOOW-XLIONFOSSA-N 366.804 4.881 0 40 FJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 408624899 DHRHRZATHASKQX-UHFFFAOYSA-N 369.515 4.822 0 40 FJAB O=C(NCc1ccnc(F)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 1287406781 YETSOOFTCFGUBA-UHFFFAOYSA-N 374.337 4.837 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)Nc1ccccc1Cl 1775967203 ILGSJPHJIPWLOL-ZDUSSCGKSA-N 362.838 4.517 0 40 FJAB CC(C)(C)c1ccc(CN2C(=O)C[C@@]3(CCCc4ccccc43)C2=O)cc1 644706 VYXMARSFKBTTGY-XMMPIXPASA-N 361.485 4.517 0 40 FJAB CSc1nnc(COc2cccc3ccccc23)n1Cc1ccccc1 916442 PHJQHSAIRAPCBT-UHFFFAOYSA-N 361.470 4.781 0 40 FJAB Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 2601938 HZIHNGNMMJBILH-CRAIPNDOSA-N 373.250 4.527 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@H](CC)C2 2708212 NMQZSQVLUDGTIY-FROQITRMSA-N 373.474 4.685 0 40 FJAB CCCOP(=O)(OCCC)[C@H](NC(=O)C(C)(C)C)c1ccccc1 3216962 CYBSTPMKQQBWII-INIZCTEOSA-N 355.415 4.894 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 3242453 OATIXWRBDVEKIH-UHFFFAOYSA-N 350.852 4.543 0 40 FJAB aggregator CSc1ccc(Cl)c(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 3344890 HDWJWOKIUTZXJM-HNNXBMFYSA-N 374.937 4.721 0 40 FJAB Cc1ccn2c(NC(=O)Cc3ccccc3)c(-c3ccc(F)cc3)nc2c1 3906486 FNDKXTSCIPVEOJ-UHFFFAOYSA-N 359.404 4.630 0 40 FJAB Cc1nc(SCC(=O)c2ccc(OC(F)F)cc2)c2ccccc2n1 4241561 YTXCMSCVPOQOCC-UHFFFAOYSA-N 360.385 4.515 0 40 FJAB Cc1occc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 4938912 MZMZKASSFCLPCP-UHFFFAOYSA-N 351.218 4.728 0 40 FJAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1cccc(Cl)c1 4954463 DSFSUJAOVILGHO-GNPFLCDCSA-N 361.828 4.789 0 40 FJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc2ccccc2c1 6083686 HIHQYZNNNSYXNY-UHFFFAOYSA-N 350.506 4.758 0 40 FJAB CCOc1ccc(CN(C)c2cc(C)c3cccc(C)c3n2)cc1OC 6561367 POJKLTJZKVEMCH-UHFFFAOYSA-N 350.462 4.895 0 40 FJAB S=C(NCc1ccccc1Cl)Nc1ccc(Br)cc1 6971832 ZZFTXOFGXDXZCC-UHFFFAOYSA-N 355.688 4.589 0 40 FJAB COc1ccc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)cc1Cl 7603163 ZLCXCPNFISTJES-OQLLNIDSSA-N 361.806 4.708 0 40 FJAB CC(=O)Nc1cc(C)c(C)cc1-c1csc(NC(=O)C2CCCCC2)n1 10032679 VZSBNPXOZFLSJG-UHFFFAOYSA-N 371.506 4.904 0 40 FJAB O=C(CSCc1c(Cl)cccc1Cl)NCCCc1ccccc1 10110176 LNCPRTCCYPPWJY-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CSc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)cc1 12613809 FNVBWHWJTGKRTI-UHFFFAOYSA-N 354.500 4.770 0 40 FJAB C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccs1 12784922 LXJIPVBZMHJOJV-AWEZNQCLSA-N 355.434 4.957 0 40 FJAB CCC[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 12899512 QYVNBQZYSHUOLG-MRXNPFEDSA-N 351.475 4.785 0 40 FJAB Cc1ccc(Cn2nc(C)c(NC(=O)Nc3cccc(F)c3)c2C)cc1 13331374 AVXSZCMXJPJCPO-UHFFFAOYSA-N 352.413 4.640 0 40 FJAB Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 13495239 CYADAYHAVCSBEM-HNNXBMFYSA-N 363.461 4.834 0 40 FJAB CCOc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 13672911 QACDUHNMFRVUAQ-UHFFFAOYSA-N 353.846 4.750 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1C 14223783 FOZQKXNRHKWOKZ-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB CCOc1ccc2nc(NC(=O)c3nc(Cl)ccc3Cl)sc2c1 14826522 AUMAWOIDDVFUSI-UHFFFAOYSA-N 368.245 4.649 0 40 FJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc(Cl)ccc1Cl 20138398 ISTUIODKJLSJJL-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 22528233 ITWGFMPQCIUBBE-NRFANRHFSA-N 371.908 4.979 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(SC)cc2)c1 36360267 OCQSUVZUFFDWNA-QGZVFWFLSA-N 365.458 4.726 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccccc1OC(F)F 36394765 AGOBJJNYTFGFEX-CYBMUJFWSA-N 374.387 4.666 0 40 FJAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39743005 TUXWVOLUYLJQNP-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N(C)C)cc1 41154801 VVKLIUNACOVDTH-UHFFFAOYSA-N 352.459 4.811 0 40 FJAB Fc1cccc(CN(CCCn2ccnc2)Cc2ccnc3ccccc23)c1 43277709 RVNJUAMZSLKQIJ-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44765823 AWBSTRWUQDUWJU-LSDHHAIUSA-N 361.869 4.610 0 40 FJAB Cc1n[nH]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)SCC(O)=N2 44893848 IUDUVFHTZNCJQU-GOSISDBHSA-N 351.431 4.935 0 40 FJAB C[C@H](NCC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 49580908 OMIGOPTULKAUBH-FQEVSTJZSA-N 372.512 4.676 0 40 FJAB CN(C(=O)c1cccnc1Nc1cccc(F)c1)c1ccc(F)c(F)c1 65846928 UVZQMXMGVAAVFM-UHFFFAOYSA-N 357.335 4.519 0 40 FJAB O=C(CSCc1ccc(Cl)s1)NCCCCOc1ccccc1 71856391 XADCQGUEZFHUNL-UHFFFAOYSA-N 369.939 4.610 0 40 FJAB Fc1ccc(-c2ccc(CNC3CCN(c4ccc(F)cc4)CC3)o2)cc1 84419514 MVYHYTPJNILRFG-UHFFFAOYSA-N 368.427 4.983 0 40 FJAB Cc1cc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)ccc1Br 101084755 VYPMZWGONLUVOD-MAUKXSAKSA-N 373.250 4.527 0 40 FJAB COc1ccc(N(C)C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cn1 102340237 YACWWIHIADDLIS-UHFFFAOYSA-N 356.422 4.543 0 40 FJAB c1ccc(COc2cccc(CNc3ccc(N4CCOCC4)cc3)c2)cc1 107027839 IKGAIODMXGTSEF-UHFFFAOYSA-N 374.484 4.714 0 40 FJAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C(C)(C)C)cc1 219211574 HJQVKPGAFZVEFO-MRXNPFEDSA-N 364.489 4.602 0 40 FJAB COc1ccc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1 225139422 TWRLJCPWRWGBHM-NRFANRHFSA-N 364.397 4.562 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1snnc1-c1cccs1 225788405 WMJIWJJMQHKJQF-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB Cc1nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2n1C 225894126 HKDILURCBGBMNW-UHFFFAOYSA-N 369.468 4.724 0 40 FJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(OC(F)(F)F)c1 1597114042 UFQDNHMCMDCFOJ-JTQLQIEISA-N 366.364 4.686 0 40 FJAB C[C@@H](O)[C@](C)(CNCc1cccc(CC2CCC2)c1)Cc1ccccc1 1620927383 YKOJDMDSHDEYPT-DVECYGJZSA-N 351.534 4.749 0 40 FJAB CN(C)CCN(Cc1cccc(F)c1)Cc1c(Cl)ccc2cccnc12 1659691181 JRHDDNJLESALAJ-UHFFFAOYSA-N 371.887 4.591 0 40 FJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Cl)cc1Cl 1860201770 XOCUPRFILVVTTO-UHFFFAOYSA-N 364.207 4.785 0 40 FJAB Cc1c(Cl)cccc1-n1c(SCC2CC2)nc2c(c1=O)CCCC2 1888959362 JBVFLAYWBSMLPR-UHFFFAOYSA-N 360.910 4.575 0 40 FJAB Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 855888 YZLIPMSYJYHJFM-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCCC2 879638 QUFJMBOPHRGVOL-UHFFFAOYSA-N 361.438 4.585 0 40 FJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1c(F)cccc1F 2961279 KNPDMHSPYJHCNF-UHFFFAOYSA-N 367.380 4.889 0 40 FJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 3554057 STZFZBATURHTBS-QFIPXVFZSA-N 374.440 4.685 0 40 FJAB O=C(COC(=O)c1cc2ccccc2o1)Nc1cccc(Cl)c1Cl 4332561 NOGHPSKMDFWADG-UHFFFAOYSA-N 364.184 4.535 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc2ccc(C)cc2nc1Cl 6450517 FFYKQCKBJNLKRV-QGZVFWFLSA-N 369.877 4.956 0 40 FJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N(C)C)ncnc32)cc1 6870510 TVHYCPCKEAPSOF-UHFFFAOYSA-N 358.445 4.552 0 40 FJAB Cc1ccc(-c2nnc(SCc3nc(-c4ccc(F)cc4)no3)o2)cc1 7171804 LXYQXVRTLVYQET-UHFFFAOYSA-N 368.393 4.526 0 40 FJAB Cc1ccc(/C=C/C(=O)OCc2nc(-c3cccs3)no2)cc1Cl 7219397 JJITXXBPOQFWMZ-VOTSOKGWSA-N 360.822 4.517 0 40 FJAB c1ccc(Nc2nnc(SCc3cc(-c4ccco4)on3)s2)cc1 7733757 BXFDZGBXXLJRIO-UHFFFAOYSA-N 356.432 4.822 0 40 FJAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Oc2ccccc2)cc1 8327319 IFMCDMHBBROZTB-UHFFFAOYSA-N 372.424 4.623 0 40 FJAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)s2)cc1 8719382 ZMXHKILHJCVXQJ-UHFFFAOYSA-N 366.442 4.582 0 40 FJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1cccs1)C2 9938829 AOLPYLYMAXSVNZ-GFCCVEGCSA-N 365.483 4.765 0 40 FJAB CCOc1ccc(-n2ccnc(SCc3cccc(Cl)c3)c2=O)cc1 12361016 LARRPZFNBSXSEL-UHFFFAOYSA-N 372.877 4.577 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2o1 12753313 ZPTQOPCJRQRUIF-SECBINFHSA-N 364.232 4.882 0 40 FJAB CCN(Cc1cccs1)C(=O)c1cccnc1Sc1ccccc1 12905016 VOTJXQKVAVOUGQ-UHFFFAOYSA-N 354.500 4.957 0 40 FJAB Clc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)c(Cl)c1 16399605 JYFHTHCQTLZZSU-GOSISDBHSA-N 366.288 4.841 0 40 FJAB O[C@@H](CNCc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 16480517 LHAOGTINIFJFKH-NRFANRHFSA-N 367.876 4.742 0 40 FJAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2ccc(F)cc2s1 35671373 NFBLCFCKROWCED-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)c1 40095846 JEMCDRYPXLEEHN-JTQLQIEISA-N 366.248 4.835 0 40 FJAB Cc1cc(SCC(=O)Nc2ccccc2C)nc(-c2ccc(F)cc2)n1 49007035 MQEPRVKHNKXVEJ-UHFFFAOYSA-N 367.449 4.630 0 40 FJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4Cl)no3)o2)cc1C 65185470 SMNILWOFPWIWGB-UHFFFAOYSA-N 366.808 4.648 0 40 FJAB O=C(NCc1cccc(OC(F)F)c1)c1cccc2c3c([nH]c12)CCCC3 65490575 OTTDWLZMSHONMN-UHFFFAOYSA-N 370.399 4.578 0 40 FJAB Cc1csc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1 102084120 CSGPVTQEZWMIAQ-CPWXYTRJSA-N 369.328 4.514 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102427824 TZLCWHPABDKHTP-VKFLQFAXSA-N 359.897 4.552 0 40 FJAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 216898627 LPGKFUHFPQNIPW-XBXARRHUSA-N 367.228 4.767 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)NCCSc2ccc(Cl)cc2)c1 218964566 ISPDVDBISULHQR-UHFFFAOYSA-N 363.910 4.553 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 219531081 DPXPGVHYBBUIQQ-GHTZIAJQSA-N 369.505 4.983 0 40 FJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C(C)C 222609803 MLYAJRIGQZEAAA-ZOCIIQOWSA-N 354.523 4.670 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(Cl)c3)N21 222664946 RCOGFSMZVNJCSV-FSPWUOQZSA-N 373.909 4.723 0 40 FJAB COc1ccc(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223340196 DOYRUWMKIROISX-INIZCTEOSA-N 355.478 4.556 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223709581 MYHVNVJTTPMUCK-PMACEKPBSA-N 355.478 4.737 0 40 FJAB C[C@@H](CCc1ccccc1)OC(=O)c1snnc1-c1ccc(F)cc1 223841288 GJRGULHJNBVULX-ZDUSSCGKSA-N 356.422 4.522 0 40 FJAB CC(C)CSc1nnc(NC(=O)C2(c3ccccc3)CCCC2)s1 223880534 WXCOMAHDZAPMQT-UHFFFAOYSA-N 361.536 4.737 0 40 FJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)ccc1F 224888457 OQGSLJCGBGQLPA-ZWKOTPCHSA-N 369.490 4.768 0 40 FJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c2ncccc12 225907744 WWZQWYSUMOUBFM-NRFANRHFSA-N 358.482 4.948 0 40 FJAB CC(C)c1nc(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)no1 226092899 CIRWFWJSSBEZCJ-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB Cc1cccc(Nc2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)n1 257212626 CEGZWFPUGTVPMC-HXUWFJFHSA-N 359.477 4.651 0 40 FJAB Fc1cccc2sc(N3CCC(N4CCc5sccc5C4)CC3)nc12 1775969771 KSFOFVQJDHRYKS-UHFFFAOYSA-N 373.522 4.524 0 40 FJAB Cc1ccc2onc(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2c1 633092 SQWBUUYDBPKNFH-UHFFFAOYSA-N 368.742 4.990 0 40 FJAB O=C(Nc1ccc(I)cc1)c1cccc2ccccc12 682193 PTWIJGKWVMBGHF-UHFFFAOYSA-N 373.193 4.697 0 40 FJAB Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)cc1C 828333 IDBLWWJDDZUSKM-QGZVFWFLSA-N 362.292 4.845 0 40 FJAB O=C(NCc1ccco1)c1c2c(nc3ccccc13)-c1ccccc1CC2 863008 QJDPEPIZVXUQPD-UHFFFAOYSA-N 354.409 4.523 0 40 FJAB CCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 2351860 NDXLHVTUWQBNHC-CQSZACIVSA-N 368.481 4.560 0 40 FJAB CCCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 3115022 NUYQGPIBUVNROH-PDGQHHTCSA-N 355.821 4.863 0 40 FJAB FC(F)(F)c1ccnn1-c1nc(-c2ccc(Br)cc2)cs1 3406291 IEMFQDHPJYQXNY-UHFFFAOYSA-N 374.185 4.777 0 40 FJAB COc1ccc([C@H]2CC(=O)C[C@@H]3CCCCN32)cc1OCc1ccccc1 3847179 DSKCHQXVNIWUAV-PZJWPPBQSA-N 365.473 4.533 0 40 FJAB biogenic Cc1ccc2c(N)c(C(=O)Nc3nc(-c4ccccc4)cs3)sc2n1 4575508 CLQYEGUIFHHXRZ-UHFFFAOYSA-N 366.471 4.563 0 40 FJAB CC1(C)CC(N(Cc2cccs2)C(=O)c2ccc(F)cc2)CC(C)(C)N1 4968454 PEJZMPAPVLATKT-UHFFFAOYSA-N 374.525 4.839 0 40 FJAB CCOC(=O)c1nc(Nc2cccc(C)c2)c2c3c(sc2n1)CCCC3 5332687 MSSBXYIQSZPIBD-UHFFFAOYSA-N 367.474 4.799 0 40 FJAB CC(C)/N=C1\S/C(=C/c2cc(Br)cs2)C(=O)N1C(C)C 6324860 POZUMRMXZPSRBW-QWSNPBCNSA-N 373.341 4.600 0 40 FJAB COc1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1OC 6761956 PHVCNRKXOZYDDQ-GOSISDBHSA-N 366.442 4.861 0 40 FJAB Fc1cccc(Cl)c1CSc1ccc(-c2ccc3c(c2)OCO3)nn1 10453576 VCXUOHLSJMBRJU-UHFFFAOYSA-N 374.824 4.957 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)c1c(C)oc2ccc(OCC)cc12 11027576 UMABKPVBXWMKGY-UHFFFAOYSA-N 367.401 4.569 0 40 FJAB biogenic Cc1ccc(-c2ccccc2CC2(C(=O)NC(C)C)CCOCC2)c(C)c1 12231586 AJEJBBODAGBEIT-UHFFFAOYSA-N 365.517 4.834 0 40 FJAB CC(C)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 12898110 YTJHXPXAEIBTPK-UHFFFAOYSA-N 359.853 4.806 0 40 FJAB O=C(c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)N1CCCCC1 13748585 PUTXZAFKLFEBDA-UHFFFAOYSA-N 373.909 4.775 0 40 FJAB COc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1cccc(C)c1 13940399 UBGAWDGZKJUEEE-YVLHZVERSA-N 371.483 4.912 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)NC1CCCCC1)c1ccccc1 13999690 GPRSFJWMFHXWAW-MRXNPFEDSA-N 365.477 4.632 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3c2cnn3C)c(C)c1 17025966 GYFRHQQLSWECOY-UHFFFAOYSA-N 362.412 4.606 0 40 FJAB Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccco3)ccc12 17360071 JOSKENMQKDTLKM-UHFFFAOYSA-N 353.378 4.530 0 40 FJAB COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@@H](C)C4)n3n2)cc1 18022588 NQICQTZOWGIWQZ-GASCZTMLSA-N 364.493 4.504 0 40 FJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(OC3CCCC3)cc2)on1 19120564 GBZYTQRHVFLHDZ-PGRDOPGGSA-N 354.494 4.805 0 40 FJAB CCOC(=O)C1=C(C)Nc2c(-c3ccccc3)c(C)nn2[C@H]1c1ccccc1 20674220 LMDUIZQNLIXCJA-NRFANRHFSA-N 373.456 4.711 0 40 FJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(C)c1 21785447 PEVCCPHEKXCSQJ-UHFFFAOYSA-N 357.456 4.824 0 40 FJAB Cc1c([C@@H](C)NC(=O)C2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 29317588 RWBHCEKUZCGBCI-GFCCVEGCSA-N 365.399 4.567 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 30751548 CDKSQPLAGAHDHJ-SFTDATJTSA-N 355.478 4.756 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1SC(F)(F)F 31873720 CVRBKFRJKAOFBO-UHFFFAOYSA-N 351.271 4.968 0 40 FJAB O=C(NC1CCCCC1)c1ccccc1CSc1nc2ccccc2[nH]1 32975793 NLVMZLMPRJULIN-UHFFFAOYSA-N 365.502 4.918 0 40 FJAB CC(C)c1ccc(CN(Cc2nc(O)c3sccc3n2)C2CC2)cc1 36384773 ISQVQKGIUDJPLR-UHFFFAOYSA-N 353.491 4.685 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccc(C)c(C)c3)cc(-c3ccccc3)nc21 36615962 BGUBUIDJGADSID-UHFFFAOYSA-N 370.456 4.987 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(F)c1 36652295 VXUMRYWOVLGPBK-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB CCOc1cc(CO)cc(Br)c1OCc1cccc(Cl)c1 36825129 GUNMDQBKVUCEPW-UHFFFAOYSA-N 371.658 4.573 0 40 FJAB Clc1ccccc1NCc1nnc(-c2ccccc2Br)o1 37388362 JQSZYEMLFYFZFD-UHFFFAOYSA-N 364.630 4.765 0 40 FJAB CC[C@@H](C(=O)NCc1ccc(-c2csc(C)n2)cc1)c1ccccc1 40005056 OSYRCIISLZZBSF-LJQANCHMSA-N 350.487 4.929 0 40 FJAB C[C@H]1C[C@@H](C)CN(Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 49574772 ZBYJAJDJZJDFFS-LAPQFRIASA-N 361.482 4.973 0 40 FJAB CC1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427745 VCMZLIHKJNJSQA-UHFFFAOYSA-N 363.461 4.548 0 40 FJAB CC[C@@H](C(=O)N[C@H]1CCc2c(O)cccc21)c1cccc(C(F)(F)F)c1 79054098 XDPGZASHGSMQHB-PBHICJAKSA-N 363.379 4.708 0 40 FJAB COC(=O)c1c(NCc2ccccc2)sc(C(=O)c2ccccc2)c1C 96191596 WMMCTNWQRUGJIZ-UHFFFAOYSA-N 365.454 4.686 0 40 FJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 113970371 BVHKRKCDCYHFIR-IBGZPJMESA-N 361.869 4.521 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)ccc2c1 223844159 XHCHWENKCSHMLG-UHFFFAOYSA-N 361.850 4.611 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224449354 ZFOPTWPYUPDFRP-NRFANRHFSA-N 364.420 4.608 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225360257 DWHGAYKLRCFPMK-CQSZACIVSA-N 366.288 4.818 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 225634869 MXEHAOWYEQPBJU-CYBMUJFWSA-N 368.424 4.768 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1Cl 225824846 XCCSOIMHWBJMFO-UHFFFAOYSA-N 356.180 4.562 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCCSc2ccccc2)cc1 250535756 LVASPPKCRNMDQU-MDKPJZGXSA-N 367.514 4.776 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 408700422 FTLBKDAODOLXJQ-UHFFFAOYSA-N 373.396 4.638 0 40 FJAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1C1CCCCC1 409082962 UJASZQVBVSZCHC-ATVHPVEESA-N 370.836 4.825 0 40 FJAB Clc1cccc(-c2n[nH]cc2CN2CCC(c3cccnc3)CC2)c1 685456497 SXYVTPBUNFHMSH-UHFFFAOYSA-N 352.869 4.505 0 40 FJAB O=C(CSc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1ccccc1 633722 REJRJLCSWGIICT-UHFFFAOYSA-N 372.449 4.769 0 40 FJAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 3912935 IMVWPCGLLXLOTF-LFIBNONCSA-N 368.436 4.873 0 40 FJAB COc1ccc(Cc2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)cc1 4384956 GRQSIARVDDFWQG-CQSZACIVSA-N 361.272 4.830 0 40 FJAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 4386034 IPDRXHJGTPAHHP-GOSISDBHSA-N 361.489 4.507 0 40 FJAB C[C@@H](c1ccccc1)[C@@H](CC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 4602050 GOONKHBSKADUIL-SMDDNHRTSA-N 366.244 4.827 0 40 FJAB CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 4875313 LVGCDWYZZZWWRE-UHFFFAOYSA-N 365.501 4.656 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2F)N3)C1 5274712 KBESGDBXEBSDDF-DIFFPNOSSA-N 358.482 4.892 0 40 FJAB c1coc(-c2oc3ncnc(Nc4nccs4)c3c2-c2ccco2)c1 5346880 MANPRXISXJSKHG-UHFFFAOYSA-N 350.359 4.943 0 40 FJAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(Oc2ccccc2)cc1 5628084 RJSYVNDLJDWLFW-UHFFFAOYSA-N 357.413 4.776 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 5945875 QPXOBNZELBIOPY-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1C 6480301 RDARFFHTWNYVGH-UHFFFAOYSA-N 357.841 4.664 0 40 FJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccn1C 7039374 RNQJFOKUSFRFHP-WZONZLPQSA-N 373.500 4.856 0 40 FJAB Cc1cc(C)cc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1 7318849 DDLSKGFMHRKYFW-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7928833 ZPQUIIAXVUOBDQ-IEBWSBKVSA-N 365.473 4.634 0 40 FJAB Cc1c(Br)cc(/C=N/Nc2ccccc2)cc1Br 8276256 HSCDEHCSFPENDA-RQZCQDPDSA-N 368.072 4.966 0 40 FJAB Cc1occc1-c1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)o1 9512782 ZMFVKYUTEQJLNM-UHFFFAOYSA-N 358.463 4.516 0 40 FJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3)c(Cl)c12 10220406 NASDHCCOERESNX-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB O=C(c1ccc(Br)cc1)N(Cc1cccs1)c1ccccn1 11914972 QDMXXEMLUMOBAA-UHFFFAOYSA-N 373.275 4.753 0 40 FJAB Cc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 12627382 XCPSBJOLCPFBBZ-OAQYLSRUSA-N 369.468 4.596 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(C)CC3)cccc2c1=O 12809190 IOHJEXWRQCOTGT-UHFFFAOYSA-N 361.441 4.641 0 40 FJAB O=C1CCc2cc(OC(=O)CC(c3ccccc3)c3ccccc3)ccc2N1 12974287 LPBZLVAEIOLXGU-UHFFFAOYSA-N 371.436 4.699 0 40 FJAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12977097 YXGKURSOAHDBEI-HGZMWJMZSA-N 364.470 4.682 0 40 FJAB Cc1cccc2sc(NC(=O)c3ccc(CSC(F)F)o3)nc12 12982267 WYCREWPRKBFHJN-UHFFFAOYSA-N 354.403 4.906 0 40 FJAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13750142 XDMGYRLXIBNKKW-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1OC(F)F 15993505 JOCHTGZUVFSJRP-UHFFFAOYSA-N 357.356 4.704 0 40 FJAB CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 21705125 ABIQVYMIOWKJNL-NRFANRHFSA-N 365.473 4.584 0 40 FJAB COc1ccc(Cc2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 23624723 DYICLTXHMGXPHS-UHFFFAOYSA-N 350.443 4.899 0 40 FJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 24696410 KUJJWTYHRDGTOD-UHFFFAOYSA-N 370.880 4.537 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)N(Cc1ccccc1)C1CC1 24837971 HPZPVAJJWYBYJD-UHFFFAOYSA-N 354.500 4.605 0 40 FJAB O=C(Nc1ccccc1)N(Cc1ccc(Br)o1)c1ccccn1 28286828 SPIVBOMEZWXBBN-UHFFFAOYSA-N 372.222 4.676 0 40 FJAB Fc1ccc([C@@H]2CN(Cc3ncc(-c4ccc(Cl)cc4)o3)CCO2)cc1 29657533 QAVUDKGEDUOWGV-IBGZPJMESA-N 372.827 4.708 0 40 FJAB O=S(=O)(CCSc1nc2ccccc2s1)c1ccc(Cl)cc1 29867338 GKLYSZNMETWHGQ-UHFFFAOYSA-N 369.920 4.516 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1cccc(C)c1 44883353 NYKZJNSVKWULRF-OAQYLSRUSA-N 371.546 4.819 0 40 FJAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 44935701 QPKWTDWYEPBHIU-IFMALSPDSA-N 368.496 4.614 0 40 FJAB COc1cccc(CNCc2cccc(OCc3ccccc3)c2)c1OC 47770800 DEEQTNYZNYUEPD-UHFFFAOYSA-N 363.457 4.573 0 40 FJAB c1ccc(-c2nnc([C@@H]3CC34CCN(c3nc5ccccc5o3)CC4)o2)cc1 71889470 JVZBHPJHGYKHPL-INIZCTEOSA-N 372.428 4.652 0 40 FJAB CC[C@H](NC(=O)c1cccc(OC)c1OC(F)F)c1ccc(Cl)cc1 72233866 XYPCQHUBLDLCRU-AWEZNQCLSA-N 369.795 4.831 0 40 FJAB O=C(Nc1cc(F)ccc1F)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 79052545 AVYJTSYFYOTADQ-FXAWDEMLSA-N 374.431 4.865 0 40 FJAB C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104107205 DLWXGTJVRQFBPX-PWDMQXDWSA-N 372.559 4.990 0 40 FJAB Cc1ccc(C)c(N2CCN(C(=S)Nc3cccc(Cl)c3C)CC2)c1 215678106 ZMFDNTUFPRLLLO-UHFFFAOYSA-N 373.953 4.784 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 225094305 JDQKBLLTHXVODE-INIZCTEOSA-N 359.897 4.898 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 225302223 XMFLEAGBNXOTOY-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)c1 225720030 JFNJQBHAXMEYNY-QGZVFWFLSA-N 374.506 4.540 0 40 FJAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 408621765 NSCFGGYHYZLSJD-UHFFFAOYSA-N 373.865 4.617 0 40 FJAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]21 408760520 ADCCDWLRVBCYHO-UGESXGAOSA-N 355.437 4.611 0 40 FJAB COc1ccc(Cl)cc1-c1nc(O)c2c3c(sc2n1)CCCCC3 408989798 MDVDLOJHBOCXJE-UHFFFAOYSA-N 360.866 4.995 0 40 FJAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1c(C(=O)O)oc2ccccc12 565104591 VAHHKESVVUMOGW-UKRRQHHQSA-N 353.393 4.648 0 40 FJAB O=C(c1ccc(F)c2ccncc12)N(CC1CCCCC1)c1ccccn1 622831876 BLHDARPXLJSHLU-UHFFFAOYSA-N 363.436 4.996 0 40 FJAB C[C@H](Cc1ccc(Br)cc1)NCc1cnc2ccccc2c1 727468402 NDMJRRVGBCYUPG-CQSZACIVSA-N 355.279 4.718 0 40 FJAB Cc1cncc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)c1 1596060475 LCQIOMKBPMWPBM-LEWJYISDSA-N 350.506 4.801 0 40 FJAB CSc1ccccc1NC(=O)N1CCC[C@@]2(CCCN(CC3CC3)C2)C1 2056224737 SMZZYXGSHBLAMK-OAQYLSRUSA-N 373.566 4.528 0 40 FJAB O=C1N/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1 5151479 NQSFDZNUBKRZLS-GHRIWEEISA-N 362.410 4.528 0 40 FJAB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(F)cc1 5900096 DJGDGLAQDNKSAK-UHFFFAOYSA-N 362.429 4.524 0 40 FJAB CC(C(=O)Nc1ccc2oc(=O)ccc2c1)(c1ccccc1)c1ccccc1 6348062 RQCVEEIPKSQQTN-UHFFFAOYSA-N 369.420 4.738 0 40 FJAB Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1cccs1 6679158 NVBRQBVUDMPFAK-SUMWQHHRSA-N 369.515 4.714 0 40 FJAB Cc1cc(OC(=O)c2cccs2)n(Cc2ccc(Cl)cc2Cl)n1 6880718 VVFCGICFFZOHHZ-UHFFFAOYSA-N 367.257 4.827 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 7401768 QPNBEXPVRTYEPE-INIZCTEOSA-N 356.510 4.663 0 40 FJAB Cc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1C1CC1 7617853 ANYBABURGQRSFK-UHFFFAOYSA-N 355.507 4.944 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1OCC 7986876 JBNMZEVCEXJMMV-UHFFFAOYSA-N 373.449 4.534 0 40 FJAB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCCCCCC2)cs1 9958115 LEXGUMOZECZIGE-VAWYXSNFSA-N 370.518 4.836 0 40 FJAB Cc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1-n1cccc1 10376909 PJOZHPCVMKNMNW-UHFFFAOYSA-N 370.456 4.841 0 40 FJAB CN(C)c1cccc(C(=O)N(Cc2cccs2)Cc2cccs2)c1 12536387 NIQKOVQIXLRKPB-UHFFFAOYSA-N 356.516 4.718 0 40 FJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(SC(F)F)cc1 12616835 RIWKANSVHHYENR-UHFFFAOYSA-N 365.430 4.608 0 40 FJAB O=C(OCc1ccc(F)cc1)c1cc(-c2cccnc2)nc2ccccc12 12656189 WQEKICQBYWRGRV-UHFFFAOYSA-N 358.372 4.793 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C 12754704 NELLXEMRLPPGJR-IAGOWNOFSA-N 365.473 4.558 0 40 FJAB O=C(/C=C/c1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 12982735 YULZVUPAGITTQN-FMQWLBJXSA-N 352.434 4.812 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(CCCc2ccccc2)s1 13858092 IAIJQLNXSXLDTI-UHFFFAOYSA-N 371.893 4.548 0 40 FJAB CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236715 FBHXYYNIPOXONP-UHFFFAOYSA-N 374.362 4.601 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cccc3ccccc23)cc1C 22540769 XXSAMXHCZLZUAA-QGZVFWFLSA-N 360.457 4.581 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 32102317 HPBVBVJFKXXNCH-UHFFFAOYSA-N 354.837 4.635 0 40 FJAB CCOc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1 32617205 YXDOBOFQAQJKPX-UHFFFAOYSA-N 366.808 4.846 0 40 FJAB CCC(CC)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623253 YXEIKSWFBJTXCK-UHFFFAOYSA-N 353.397 4.917 0 40 FJAB Cc1ccc(C)n1-c1nc(CC(=O)N(Cc2ccccc2)C(C)C)cs1 40132379 AQSBRNSQFFYYLS-UHFFFAOYSA-N 367.518 4.530 0 40 FJAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C 44856347 FVLUFAZHHVJJMJ-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB Cc1ccc(CN(C(=O)Nc2nncs2)[C@H]2CCc3ccccc32)cc1 58158002 YMUGDQNARGAVOX-SFHVURJKSA-N 364.474 4.568 0 40 FJAB CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1cccc(F)c1)c1ccccn1 58297329 SUNKRZUGDFEQNT-LJQANCHMSA-N 371.362 4.752 0 40 FJAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1-n1cccn1 61450199 UKGUCWKRPCBWDG-UHFFFAOYSA-N 364.493 4.552 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](c2cccnc2)SC1 79493505 CYAHHRJVOMQKFX-KRWDZBQOSA-N 372.494 4.693 0 40 FJAB CC(C)c1cc(Br)ccc1NC(=O)Cn1ncc2ccccc21 89893290 MCMMWMXBDICGDH-UHFFFAOYSA-N 372.266 4.561 0 40 FJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccc(F)cc1F 102733483 QRYOPSXFBOBWCR-UHFFFAOYSA-N 369.396 4.855 0 40 FJAB CCCCOCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OCC 224724577 XNAHPEMYTJYOIU-QGZVFWFLSA-N 355.478 4.893 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(C)c1 225289171 ACZOMTNAXSTLIU-IBGZPJMESA-N 361.489 4.656 0 40 FJAB C[C@H](COc1ccccc1)NC(=O)CCc1c(Cl)cccc1Cl 225363446 BOQIIFUKEGXPAD-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 225371031 MTUXZADEISCXSP-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccccc2C)c1 225758243 XEXKMRARNSNUHR-SFHVURJKSA-N 356.491 4.609 0 40 FJAB Nc1ccc(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 226343786 CJPJAAZPEYUBOL-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB Cc1cc(Br)ccc1N1C(=O)c2cccc3cccc(c23)C1=O 320083718 YAMAEJQUZBZEHE-UHFFFAOYSA-N 366.214 4.711 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(F)cc3)sc1CC2 409054883 WDOULVUUUMSNHI-UHFFFAOYSA-N 368.433 4.617 0 40 FJAB Cc1csc(Nc2ccc(NC(=O)c3cc(C)n(C(C)(C)C)n3)cc2)n1 517680276 OQCXILZRPASTCG-UHFFFAOYSA-N 369.494 4.707 0 40 FJAB CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CC(C)C)c1cnn(CC)c1 1531110993 WWGDWZDKAWIPQP-FQEVSTJZSA-N 371.525 4.873 0 40 FJAB CCOc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 1326912 QFNMQZAPGSPFOX-UHFFFAOYSA-N 366.486 4.715 0 40 FJAB S=C(Nc1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1358360 HTYJKSOLLPTWKX-ZDUSSCGKSA-N 370.909 4.793 0 40 FJAB c1ccc(-c2nnc(SC[C@H]3CCCCO3)nc2-c2ccccc2)cc1 3484138 XRCKKZPNRBOXOH-GOSISDBHSA-N 363.486 4.867 0 40 FJAB CCOc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)cc1 4570551 VUUYOPQPZRXCNC-UHFFFAOYSA-N 357.841 4.970 0 40 FJAB COCCn1c(-c2ccccc2)cnc1NCc1c(F)cccc1Cl 4679213 ZIKAEJYHSURGMN-UHFFFAOYSA-N 359.832 4.601 0 40 FJAB Brc1ccc(N2Cc3ccc(Br)cc3C2)cc1 5338111 VIKCRWHIAUHWST-UHFFFAOYSA-N 353.057 4.732 0 40 FJAB CCN(CC)CCCNCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 5347815 UICZBDAMKPGYLB-FCHUYYIVSA-N 360.586 4.687 0 40 FJAB CCCCOP(=O)(OCCCC)[C@H](NC(C)=O)c1ccc(F)cc1 5420429 WFUNXAQZQDCHGR-KRWDZBQOSA-N 359.378 4.787 0 40 FJAB Brc1c(-c2ccccc2)nc2sc(-c3ccccc3)nn12 5532045 MGYOAWUJBKJLBT-UHFFFAOYSA-N 356.248 4.887 0 40 FJAB Cc1ccc(-n2cc3c(-c4nc5ccccc5s4)nnc(C)c3n2)cc1 5746802 CXKHWDCDZUDAAL-UHFFFAOYSA-N 357.442 4.709 0 40 FJAB O=[S@]1c2ccccc2N=C(c2cccs2)C[C@@H]1c1ccccc1O 5890786 NGOLXNTVIRFVBA-NTKDMRAZSA-N 353.468 4.827 0 40 FJAB O=C(COC(=O)c1cccnc1Cl)c1ccc(C2CCCCC2)cc1 6064485 GJOREAGFXLRWFL-UHFFFAOYSA-N 357.837 4.822 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6789553 PYZMEMIXIXADIF-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB Cc1ccc(C)c(Sc2ccc(NC(=S)NC[C@H]3CCCO3)cc2)c1 6830365 MLTHBZZGDQBKSZ-QGZVFWFLSA-N 372.559 4.920 0 40 FJAB S=C(Nc1ccc(Cl)c(Cl)c1)n1nnc2cc(Cl)ccc21 6925826 PVOIWPUPAOKIMM-UHFFFAOYSA-N 357.653 4.637 0 40 FJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 7645529 DSYNCRMBDBTIOX-JTQLQIEISA-N 372.184 4.959 0 40 FJAB CCc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 7670565 COYMKNCKYQUBOK-KRWDZBQOSA-N 366.486 4.685 0 40 FJAB CC[C@@H](C)NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8325962 PFJDDMRUVXAYMG-CYBMUJFWSA-N 351.849 4.955 0 40 FJAB Cc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)c(Br)c1 8708233 RXLQBFRBWFXDMO-UHFFFAOYSA-N 374.278 4.976 0 40 FJAB CCCOc1ccc(NC(=O)c2ccccc2OCC)c2cccnc12 15841029 MJTIPOUGFQJXSX-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccc(C)c2)CC3=O)cc1 20101542 QDZMDBGOLOSGPH-QGZVFWFLSA-N 373.456 4.758 0 40 FJAB CCc1n[nH]c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 22284498 ACAQDBBJRZYTRR-UHFFFAOYSA-N 361.474 4.512 0 40 FJAB Cc1nnsc1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 28247758 CATQPQYVAFVNBX-UHFFFAOYSA-N 371.274 4.529 0 40 FJAB Cc1ccc2c(CC(=O)NCCCO[C@@H](C)c3ccccc3)coc2c1 32907536 NWROPBSTCYVIGR-KRWDZBQOSA-N 351.446 4.568 0 40 FJAB Fc1ccccc1CNc1ccc(Br)cc1Br 35040400 IHICWGFNWDOFCV-UHFFFAOYSA-N 359.036 4.963 0 40 FJAB CCOc1ccc(S(=O)(=O)N(CC)C2CCCCC2)c2ccccc12 41095052 HVESRCFBLSRUMZ-UHFFFAOYSA-N 361.507 4.582 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccsc1)Cc1ccco1 42382043 WYZYVXUPGITWDJ-UHFFFAOYSA-N 364.426 4.839 0 40 FJAB CCOc1cccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 44847057 SBWXGBPTJDONOD-HAVVHWLPSA-N 357.453 4.942 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44905815 XZCUHMYUXOJJOH-UYAOXDASSA-N 368.496 4.532 0 40 FJAB COc1ccc(NC(=O)CSc2ccccc2C)c(C(F)(F)F)c1 46151234 YFSPDHKUOWYUMW-UHFFFAOYSA-N 355.381 4.753 0 40 FJAB O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1F 48332411 IWSKSPFBXQZIKK-UHFFFAOYSA-N 350.777 4.994 0 40 FJAB COc1ccccc1-c1noc(Cc2nc(-c3cccs3)cs2)n1 67246066 FOWJPXGXVIURCF-UHFFFAOYSA-N 355.444 4.521 0 40 FJAB Cc1ccc(NC(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c(C)c1 95454854 QVYHUCYJAURURJ-GOSISDBHSA-N 354.450 4.508 0 40 FJAB Cc1ccccc1Cc1nc(CN2CC[C@H](C)C[C@@H]2c2ccco2)no1 95964364 DJRCRRYHZOIBJS-MAUKXSAKSA-N 351.450 4.535 0 40 FJAB ClC1(Br)[C@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Br 169795518 SFVAUXRMMFFMJV-BBUKENPISA-N 362.920 4.712 0 40 FJAB Cc1ccccc1NC(=O)NCc1ccc(C(=O)c2ccccc2)s1 211086076 MQJFDKFJIWEPLK-UHFFFAOYSA-N 350.443 4.609 0 40 FJAB Cc1cc(C)cc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219450569 IPARJYXYINTKIL-UHFFFAOYSA-N 358.441 4.836 0 40 FJAB CCCCOCc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OC 224438615 UIAZIRZBRRXQRK-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 224836369 PZGXKMLFFUMHQI-UHFFFAOYSA-N 364.489 4.501 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C)cc2Cl)cc1OCC 225000970 UKQJWBKPUBTSRO-AWEZNQCLSA-N 361.869 4.937 0 40 FJAB Cc1nc(/C=C2/SCCN2C(=O)c2cccc(C(F)(F)F)c2)cs1 225259096 IXGQKXBLHIVWMY-RIYZIHGNSA-N 370.421 4.658 0 40 FJAB CCc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 225639570 HJISVQHTDPFWIL-QNGOZBTKSA-N 374.440 4.560 0 40 FJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccccc1C(F)(F)F 225755165 UTQGEBWQLCKIGT-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB FC(F)(F)c1ccccc1-c1ccc(-c2nc([C@@H]3CCCO3)no2)o1 572078429 SJMNPGSILSYMSB-ZDUSSCGKSA-N 350.296 4.867 0 40 FJAB CCOC(=O)c1cccc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c1 685937146 JXLDCVYDMBLVLJ-UHFFFAOYSA-N 369.461 4.801 0 40 FJAB CCn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 703985 LDDGVCBQPZCEID-KRWDZBQOSA-N 355.441 4.730 0 40 FJAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)sc2c1 951553 CIQHCFWWHCBNRH-GFCCVEGCSA-N 360.866 4.973 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)c(C)s1 1354433 UWXVOWGCHYIWGZ-UHFFFAOYSA-N 367.449 4.502 0 40 FJAB CC(NC(=O)Nc1c(Cl)cccc1Cl)(C(F)(F)F)C(F)(F)F 2280108 RNWDJPBEUNOSAC-UHFFFAOYSA-N 369.092 4.998 0 40 FJAB biogenic CCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 2411048 YHEKGHNHCRYHLZ-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB Cc1cc2ccccc2nc1SCC(=O)Nc1nc2ccccc2s1 4161027 VHDPMJBNHMAZGJ-UHFFFAOYSA-N 365.483 4.884 0 40 FJAB Cc1ccc(-c2nc(CCNC(=O)c3cccc(Cl)c3)cs2)cc1 4570758 XRGNWLRGXZNAQG-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB COc1cc(CNCc2ccccn2)ccc1OCc1ccccc1Cl 4622057 ANPPGACKDCNCDR-UHFFFAOYSA-N 368.864 4.612 0 40 FJAB Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 4891950 PMTQDLRIVJOIGG-UHFFFAOYSA-N 356.878 4.657 0 40 FJAB Cc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 5100904 FMBMASLOAHOUBZ-UHFFFAOYSA-N 358.445 4.801 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1 5169341 OPAAYMWWQJYUPR-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB Cc1cc(CSc2nnc(-c3cccs3)n2-c2ccccc2)no1 5702247 TUDPBPYIWGGANB-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO 5819990 WECGLUPZRHILCT-RHXDWXJHSA-N 354.531 4.696 0 40 FJAB CCCC(=O)Nc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 6592872 HHLSCSSVWDNIMV-MRXNPFEDSA-N 368.477 4.956 0 40 FJAB Cc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Br)cc1 6760835 DBLSALGHKNXTNM-UHFFFAOYSA-N 354.207 4.727 0 40 FJAB COc1ccc(-c2nnc([C@H](C)Sc3ncnc4sccc34)o2)cc1 7329434 ANDFOMSKAHFWCP-JTQLQIEISA-N 370.459 4.603 0 40 FJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccsc2)cc1 7884421 YMSNGOAPWAVLGE-FQEVSTJZSA-N 364.470 4.566 0 40 FJAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 8488936 IGXFQHBTJJCUOM-ZDUSSCGKSA-N 351.899 4.677 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 8495780 NGMZBPABDHTERR-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB O=c1ccn(C/C=C/c2ccccc2)c(=S)n1C/C=C\c1ccccc1 8665735 LMJDRRZKQIAUGW-GUZOQHLSSA-N 360.482 4.806 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 9164784 AWFJAFMGLRXFMI-UHFFFAOYSA-N 370.880 4.918 0 40 FJAB O=C(c1c[nH]c2ccccc12)[C@@H](Nc1cccc(CO)c1)c1ccccc1 9616956 PVBVIWCRDISUGR-QFIPXVFZSA-N 356.425 4.696 0 40 FJAB COc1ccc(CN(C)C(=O)Nc2cccc3ccccc23)cc1OC 11003631 NTSIIUOVLWXTOL-UHFFFAOYSA-N 350.418 4.521 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1Cl 11694401 LQXBOCIDWXMLTN-UHFFFAOYSA-N 373.815 4.706 0 40 FJAB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12484320 DAKDWEDFCMMLIC-UHFFFAOYSA-N 365.502 4.751 0 40 FJAB c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4nccnc4c3)C2)cc1 12821435 AMCHDZQTAAQEAG-HSZRJFAPSA-N 350.425 4.986 0 40 FJAB COc1ccc([C@H](NC(=O)Cc2coc3cc(C)c(C)cc23)C2CC2)cc1 12945361 XXGTWWYSSICZCB-HSZRJFAPSA-N 363.457 4.868 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12975662 KHUCBQGYJRFTMA-SECBINFHSA-N 364.442 4.949 0 40 FJAB 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Cc1oc(-c2ccccc2)nc1CSCC(=O)N[C@H]1CCCC[C@@H]1C 32779186 QCQYGFOPRVUZKS-YOEHRIQHSA-N 358.507 4.578 0 40 FJAB CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(O)=NC2=S)cc1 33794348 WHRIWJKJEIDWHE-LFIBNONCSA-N 370.861 4.574 0 40 FJAB CCc1cccc(C)c1-n1nnnc1[C@@](C)(CC)Nc1ccc(Cl)cc1 35622249 WATIKCQVTNLMRN-HXUWFJFHSA-N 369.900 4.924 0 40 FJAB COc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C2 35643689 DUOWFFYJKGBOQB-UHFFFAOYSA-N 365.517 4.721 0 40 FJAB in-vitro Brc1cc(Cc2ccccc2)ccc1OCC[C@H]1CCCNC1 42770229 QMKNLDRPIASSGQ-QGZVFWFLSA-N 374.322 4.808 0 40 FJAB O=C(Nc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078394 PSPOSCKYFJBBSN-UHFFFAOYSA-N 356.425 4.532 0 40 FJAB CN(CC(=O)Nc1ccc(Br)cc1Cl)CC1CCCCC1 48324050 AOEKRLODWQLNAK-UHFFFAOYSA-N 373.722 4.553 0 40 FJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 57312797 WKMWLSHGERSLES-UHFFFAOYSA-N 368.658 4.899 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCCOc2ccccc2C)cc1 58045520 SEYONQFPNPTPAQ-HXUWFJFHSA-N 353.462 4.526 0 40 FJAB Cc1noc(Cl)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 58425226 ALHUYGBRJQUGPE-UHFFFAOYSA-N 352.821 4.779 0 40 FJAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 60157833 FEVREHOYPGRQKZ-LLVKDONJSA-N 373.909 4.910 0 40 FJAB COc1cc2c(cc1NC(=O)N1C[C@@H](C)OC(C)(C)C1)oc1ccccc12 84705730 GQMFOKUUXQHOHQ-CYBMUJFWSA-N 368.433 4.626 0 40 FJAB CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(-c3cscn3)cc2)CCO1 95994000 OWPZDFMGOAQFGA-PKOBYXMFSA-N 358.507 4.524 0 40 FJAB O=C(c1cccc2cccnc12)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100751565 WXSSSAXCDSJAKP-PMACEKPBSA-N 360.432 4.925 0 40 FJAB CSc1nc2n(n1)[C@H](c1sccc1C)C1=C(O)CC(C)(C)CC1=N2 102669249 FSGSKQHMYFKUHX-ZDUSSCGKSA-N 360.508 4.678 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 219547024 DGGHJJSCWJZCOA-PGRDOPGGSA-N 369.505 4.983 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222947500 JVPOREKUIFJHLG-GJZGRUSLSA-N 357.881 4.864 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219478 RVDNZLNLIRZFCF-KUHUBIRLSA-N 357.881 4.864 0 40 FJAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1ccc(C(C)(C)C)cc1 225247705 GIEZSXNTMWTOSX-LDADJPATSA-N 356.491 4.777 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225765434 WJLVHJNCHTWFHX-LJQANCHMSA-N 370.518 4.774 0 40 FJAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccc3ccccc3c21 225824178 XHKNRCKZBQOIFT-UHFFFAOYSA-N 357.453 4.840 0 40 FJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225906279 DOTIOTHMIJPFID-OAQYLSRUSA-N 358.482 4.946 0 40 FJAB C[C@H](O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 226272787 NSQHMIQEXDXHDZ-LBPRGKRZSA-N 370.246 4.908 0 40 FJAB O=C(O)c1cc(OCc2cccc3ccccc23)cc(Br)c1O 226299076 PAAPJSWLHHMBCB-UHFFFAOYSA-N 373.202 4.585 0 40 FJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1 408671896 UJRXNZIVGXPYGJ-LJQANCHMSA-N 371.436 4.621 0 40 FJAB O=C(Nc1ccccc1-c1cccs1)N1CCC(c2ccncn2)CC1 569092702 CQHRBIUNQFOWHI-UHFFFAOYSA-N 364.474 4.617 0 40 FJAB C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cnc2cnccc2c1 650295808 RSDHUWLRPVOFFX-OAQYLSRUSA-N 365.864 4.521 0 40 FJAB O=C(NC[C@H]1CCc2ccccc2C1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1564460820 HLAUZAFUMNPHRA-ZRCAFCQKSA-N 368.908 4.690 0 40 FJAB O=C1NCCc2c(N[C@H]3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)cccc21 1664996705 YDYDBZCTZPSPCG-HOCLYGCPSA-N 374.406 4.740 0 40 FJAB Cc1sc2ncn3c(SCc4ccccc4Cl)nnc3c2c1C 925334 WMFQSYAPIFHYCH-UHFFFAOYSA-N 360.895 4.902 0 40 FJAB Cc1cccc(NC(=O)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c1 1350186 SAEUECCQTPTHHR-QGZVFWFLSA-N 362.477 4.900 0 40 FJAB O=C(OCOC(=O)c1cccc2ccccc12)c1cccc2ccccc12 1666414 CSSGUFDGWQOFLY-UHFFFAOYSA-N 356.377 4.964 0 40 FJAB c1ccc(OCc2nnc3sc(-c4cccc5ccccc45)nn23)cc1 3843294 LGEIYMDEFNQOPV-UHFFFAOYSA-N 358.426 4.585 0 40 FJAB biogenic COc1ccc(Cl)cc1C(=O)N(Cc1ccccc1)c1ccccn1 3894172 DFUBILXPAKAKQP-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB O=C(CCc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 4304764 KJMNFKAHZILPBN-UHFFFAOYSA-N 373.481 4.857 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)CCc1ccccc1 5136991 CAWKWDPKVWTQOU-UHFFFAOYSA-N 368.477 4.549 0 40 FJAB O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccccc1Cl 5971963 OUFUBRZWKYHATF-UHFFFAOYSA-N 374.918 4.872 0 40 FJAB Cc1c(C(=O)N[C@@H](C)c2ccc(Br)cc2)oc2ccccc12 6343349 SHDGMECRNUNTQC-LBPRGKRZSA-N 358.235 4.995 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 6349619 HJEZKMLOLIUHRV-UHFFFAOYSA-N 367.474 4.725 0 40 FJAB CCC(C)(C)c1ccc(OCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 6937747 QDAWTRCNAIGYRG-UHFFFAOYSA-N 372.461 4.662 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccccc2)CC1 9062780 HHHGUDRWSKGBEB-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 9137671 NLRMFPCHBDQIQO-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)cc1 9970566 LOHZTRSIFQMZPK-UHFFFAOYSA-N 362.429 4.785 0 40 FJAB O=C(NCc1ccc(C(F)(F)F)cc1)Nc1nc2ccccc2s1 10207318 SJQHTLXVHLEFDZ-UHFFFAOYSA-N 351.353 4.637 0 40 FJAB COc1cc(NC(=O)CCc2ccc(Cl)cc2)c(OC)cc1Cl 10446894 MELIROVDESXTRG-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(F)cc4)n3)oc12 10747544 JKQQXCQHMWHYLN-UHFFFAOYSA-N 368.389 4.956 0 40 FJAB CCCn1ncc(C(=O)N[C@H]2CCC[C@@H](c3c[nH]c4ccccc34)C2)c1C 12242235 DCFBXUDMUJKBRX-SJORKVTESA-N 364.493 4.539 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cs1 12993001 YMNFSYCZIATDJT-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl 13061257 ONXIYMGADHOAHA-CQSZACIVSA-N 355.290 4.831 0 40 FJAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 14219689 PFMACJUBDZKAKF-OAHLLOKOSA-N 358.290 4.731 0 40 FJAB Cc1ccc(Oc2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 18178488 DNOTVXXDHFEZQL-HDICACEKSA-N 353.462 4.956 0 40 FJAB COc1cc2c(cc1OC)[C@@H]([C@H]1CC=CCC1)N[C@@H](c1ccc(C)cn1)C2 19216048 KCOOJXQVUATHNA-LERMDLETSA-N 364.489 4.692 0 40 FJAB Cc1cccc(CN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)c1 19234954 BZYJHEQQELURJB-UHFFFAOYSA-N 353.491 4.795 0 40 FJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(N(C)C)cc2)s1 19819530 ZLYZIQUKBHDHPC-UHFFFAOYSA-N 371.531 4.817 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 20145074 NNPLYMXHIHVSAH-KGVSQERTSA-N 353.805 4.744 0 40 FJAB C[C@@H]1CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3ccc(F)cc3)c2C1 20672229 NCKPUCSRMQLPQB-LBPRGKRZSA-N 353.372 4.659 0 40 FJAB COc1ccc(CN[C@@H](C)c2cccc3ccccc23)c(OC)c1OC 22787612 BAUJPPFCHJFDJY-HNNXBMFYSA-N 351.446 4.716 0 40 FJAB CN(Cc1ccccc1Br)C(=O)C12CC3CC(CC(C3)C1)C2 23572387 FRNBJUWILFNVFF-UHFFFAOYSA-N 362.311 4.624 0 40 FJAB Cc1csc(CCNc2ncnc3scc(-c4ccc(F)cc4)c23)n1 24765263 UWOQHYYOQLGLAH-UHFFFAOYSA-N 370.478 4.917 0 40 FJAB O=c1c2ccc(Cl)cc2ncn1Cc1sc2ccccc2c1Cl 25988154 AFSHCIMGFMXCCQ-UHFFFAOYSA-N 361.253 4.966 0 40 FJAB CC(C)c1cc(C(=O)Nc2cccc(-c3nnco3)c2)c2ccccc2n1 27110851 FZLYZDLYROZWJB-UHFFFAOYSA-N 358.401 4.661 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(Cl)cc2)c1 36359443 FSJQLCDXIDSLDZ-MRXNPFEDSA-N 353.809 4.658 0 40 FJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 40119586 NXRBCIFCRQFLHB-GFCCVEGCSA-N 373.428 4.646 0 40 FJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 44842555 JVLDEFAWTWGLKS-NRFANRHFSA-N 363.457 4.712 0 40 FJAB Cc1cc(Br)cc(Cl)c1NC(=O)[C@@]1(C)CC1(Cl)Cl 48801391 YOBQFQKVVZUHTR-LLVKDONJSA-N 371.489 4.933 0 40 FJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2)cn1 72215815 KWXRDMOUDJXHQQ-GOSISDBHSA-N 353.466 4.969 0 40 FJAB Cc1cc(-c2noc([C@H]3CCCCN3)n2)cc(C)c1OCc1ccccc1 95095412 QQFQAYIPMIKJGS-LJQANCHMSA-N 363.461 4.747 0 40 FJAB CC[C@@H](c1ccccc1)c1nnc(NC(=S)Nc2ccccc2)s1 95116328 BEUXMFIDBXMSQR-HNNXBMFYSA-N 354.504 4.889 0 40 FJAB O=C(c1ccccc1)c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 110028014 ZYFSLYVQHIZYJR-UHFFFAOYSA-N 359.400 4.727 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Br 199830358 FEXVRVOLXIFPNO-ZDUSSCGKSA-N 356.260 4.530 0 40 FJAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 211526825 WZESOLRSAGPKPT-ZSOIEALJSA-N 362.794 4.509 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccc(C)cc1C 219361078 RQVXAIQQZLZTIT-LEWJYISDSA-N 355.478 4.737 0 40 FJAB CC[C@@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(C)cc1 219863618 LFAQNTURCMDOPF-JOCHJYFZSA-N 350.506 4.787 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccccc1OC 223256985 BKMLTUVCCFGIBQ-KSSFIOAISA-N 361.869 4.692 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 223376338 IIQMRTFOMLLQMB-YFZSMNHSSA-N 367.533 4.808 0 40 FJAB COc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225809945 BDOBSBCXSPCQEW-UHFFFAOYSA-N 358.482 4.633 0 40 FJAB COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)c1 409131347 IZGSSSPDAJRBDR-XMHGGMMESA-N 367.470 4.673 0 40 FJAB Cc1ccccc1C(F)(F)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 1586299103 PAMKPRNTHDUZQB-UHFFFAOYSA-N 361.779 4.565 0 40 FJAB C[C@]12CC[C@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]34C)C1=CC=C2C1=CC(=O)OC1 1772492365 WKSLITSQKVNEJV-MXOYSOBKSA-N 352.474 4.538 0 40 FJAB CCOc1ccc2nc(S[C@](C)(C(=O)O)c3ccccc3)sc2c1 608089 FREWOKWARGJVCE-SFHVURJKSA-N 359.472 4.787 0 40 FJAB in-man COc1cc(C(=O)Nc2ccccc2F)ccc1OCc1cccc(F)c1 719139 FANTWAFHXQDUGN-UHFFFAOYSA-N 369.367 4.805 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2C)o1 869044 JFKONCKLYQIHNU-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB O=c1oc2ccccc2cc1-c1csc(-c2cc3ccccc3oc2=O)n1 1515948 FPRGASXDTZIUFK-UHFFFAOYSA-N 373.389 4.690 0 40 FJAB O=C(c1ccco1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 1651725 HWTFFBNCPZGJJP-UHFFFAOYSA-N 374.440 4.926 0 40 FJAB CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 2280458 DLMAQIFHBHKZES-UHFFFAOYSA-N 352.488 4.607 0 40 FJAB Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 3279260 INQIHZGUQDJUJN-UHFFFAOYSA-N 357.494 4.646 0 40 FJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccs1 3912444 CYKXGLKYFCTBLE-UHFFFAOYSA-N 361.879 4.586 0 40 FJAB COc1cccc2sc(NC(=O)CCSc3ccc(F)cc3)nc12 4496801 HAZKTVUEHNGDIC-UHFFFAOYSA-N 362.451 4.565 0 40 FJAB Cc1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)n1 4704034 NAISIVUQSDBSGC-UHFFFAOYSA-N 372.468 4.658 0 40 FJAB CCN(CC)C(=O)C[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 4715798 KPLOQMJMTUDFDK-KRWDZBQOSA-N 368.477 4.702 0 40 FJAB CC(C)N(C(=O)CSc1nccn1-c1cccc(F)c1)c1ccccc1 5263337 WMHFAYMCJNHKEK-UHFFFAOYSA-N 369.465 4.545 0 40 FJAB CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/CC(=O)O)cc2)cc1 5418839 RDYRINIMQUOVCJ-AATRIKPKSA-N 368.429 4.963 0 40 FJAB Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2c3ccccc3ccc21 6422890 FRNDXSYBSRKOHE-CNAWJNABSA-N 350.468 4.595 0 40 FJAB O=C(/C=C/c1cccs1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6510800 DVYMGQCYUIUFFR-ATWMFIQVSA-N 370.499 4.583 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)c1ncnc2sc3c(c12)CCC3 6590211 XUQBHIXSPYILOB-NSHDSACASA-N 366.515 4.987 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)c1ccccn1 6804388 DRIJTPNKRGJLDH-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB O=c1[nH]c(CN2CCCc3ccccc32)nc2sc(-c3ccccc3)cc12 7285388 RLUBVAAGNIDMBL-UHFFFAOYSA-N 373.481 4.604 0 40 FJAB Cc1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 7595109 BCWVKMKEJOZNPF-UHFFFAOYSA-N 369.852 4.749 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 7642006 PREJQFYCKWQUSV-CYBMUJFWSA-N 356.422 4.664 0 40 FJAB O=C(Cc1cccs1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7652054 LCBJXGIPIBFIHU-KRWDZBQOSA-N 366.511 4.782 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 7929266 ACRPHAXFKVKZIG-FUHWJXTLSA-N 365.473 4.775 0 40 FJAB COc1cc(NC(=O)CCCSc2ccc(Cl)cc2)cc(OC)c1 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O=C1C[C@H](/C=C/c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 14164305 YVXDUEXYCVOAIE-SIFUEBAJSA-N 371.465 4.941 0 40 FJAB CCCOc1ccccc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832597 FBASDWHCXDEGHK-UHFFFAOYSA-N 366.486 4.837 0 40 FJAB O=C(Sc1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 20896660 WYZAIFAYVRCXEO-UHFFFAOYSA-N 373.817 4.699 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccccc1Cl 22237640 MQHORANQBIMQIY-UHFFFAOYSA-N 371.893 4.803 0 40 FJAB COc1cc(CNC2CCC(C)CC2)ccc1OCc1c(C)noc1C 22774093 KPGGPCNGOFSTJF-UHFFFAOYSA-N 358.482 4.547 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Br)cc1 28210365 GYSITYCTWKXDNA-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1C 31384012 RGSJOMKHLDLVQT-QGZVFWFLSA-N 374.484 4.785 0 40 FJAB CC(=O)c1cc(Cl)ccc1OCc1nc2ccccc2n1C(F)F 31638985 SGIGYTXHAUKQJB-UHFFFAOYSA-N 350.752 4.866 0 40 FJAB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 35527774 NKNQFDVXBVIUGW-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc2[nH]ccc2c1 36353934 PABYMPONULDMPC-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB COc1cccc(SCC(=O)N(Cc2ccco2)c2ccccc2)c1 40051813 ASHQGYYEFIJFID-UHFFFAOYSA-N 353.443 4.614 0 40 FJAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1 40285039 MWVBWUSLOULBKR-HNNXBMFYSA-N 364.426 4.720 0 40 FJAB Cc1ccc(-n2c(SC[C@H]3CCOC3)nnc2-c2ccccc2F)cc1 42129176 XOANJHXDKIXQEU-HNNXBMFYSA-N 369.465 4.510 0 40 FJAB COc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 48278587 DEGZSAOIYPTXDU-UHFFFAOYSA-N 361.489 4.524 0 40 FJAB COc1cccc(-n2nnc(-c3nc(-c4ccccc4C)cs3)c2C)c1 67341692 PSPRQVSISKQTKM-UHFFFAOYSA-N 362.458 4.683 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 71282776 GYGJBCHDHUGJHB-AWEZNQCLSA-N 365.389 4.546 0 40 FJAB FC(F)c1cc([C@H]2CN(CCc3ccccc3)C[C@@H]2c2ccccc2)n[nH]1 72389756 GYKZZEATVMLHRZ-MOPGFXCFSA-N 367.443 4.773 0 40 FJAB Cc1nc(-c2cccs2)sc1CNC(=O)/C=C/c1ccc(F)cc1 85470946 OUAXOAWNSONQMM-RMKNXTFCSA-N 358.463 4.649 0 40 FJAB Cc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 89642554 UYXQLCIBVRACCK-UHFFFAOYSA-N 370.456 4.816 0 40 FJAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(C)[C@H](C)c1ccco1 92193665 HBTXYXFEFOIGFN-CYBMUJFWSA-N 358.829 4.652 0 40 FJAB Fc1cccc(Cl)c1CN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 105767394 FMWRCYIUOICHLI-PRXAMGSTSA-N 352.906 4.507 0 40 FJAB C[C@@H](c1ccccn1)N(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 108383332 USJKLQSKRAAARS-NTLWEQJWSA-N 363.505 4.678 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2Cl)cc(C)c1Cl 113942493 DTGWZVUWRVJALQ-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB COc1ccc([C@@H]2CCCCN(C(=O)Cc3ccccc3Cl)C2)cc1 208003830 JFRYZLSKWNZLMX-GOSISDBHSA-N 357.881 4.687 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCc3ccccc32)cc1 216191212 WNTYLPICWGWICT-VLCRHTCISA-N 360.501 4.558 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSC1CCCCC1 223014457 KMWPBJCOXBEXCO-SFHVURJKSA-N 369.958 4.988 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C 223421248 AADQHLKPPULCBP-QGZVFWFLSA-N 372.468 4.603 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 224190990 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FJAB CCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)c2ccco2)cc1 618255833 ALYYMGQQKMSXFZ-KRWDZBQOSA-N 356.447 4.693 0 40 FJAB CC(C)(C)c1ccc(-c2cc(NC(=O)c3ocnc3C(F)F)on2)cc1 629960602 PSNJEFYKKFYFNF-UHFFFAOYSA-N 361.348 4.817 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccccc2F)N1c1ccc(F)cc1 1615161176 WJDKRUMMMYLSSJ-PMACEKPBSA-N 370.443 4.627 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(Cl)c1 714253 XTXXDJAUFPEDDC-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1C 888523 JLTRKTNVGLKINL-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB CC(C)Oc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 937583 ZOEOKEMFPRDWHU-UHFFFAOYSA-N 368.458 4.615 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 998074 WDKIJBWTRPPSBE-NSHDSACASA-N 354.233 4.716 0 40 FJAB Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CCCC2)c1C 1370102 ZLDIGORJNNGUCY-WOJBJXKFSA-N 371.594 4.918 0 40 FJAB CCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(C)=O)c2ccccc21 2274053 AYADCUHEUBQWEF-HRAATJIYSA-N 350.462 4.706 0 40 FJAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)[C@@H]1CCCO1 3455857 GJADXNJXJXPQAP-JTQLQIEISA-N 362.501 4.718 0 40 FJAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Cl)cc1Cl 4770641 JPNZIXRZLXFAHH-UHFFFAOYSA-N 358.637 4.904 0 40 FJAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc3ccccc3c2)cc1 7346377 IVYNDOVYIUTIEJ-UHFFFAOYSA-N 360.482 4.893 0 40 FJAB CCc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1OC 7724121 RKLZYNCCYWYAMH-DHZHZOJOSA-N 360.251 4.672 0 40 FJAB Cc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 7779284 FGKCXBKPFXIXCO-UHFFFAOYSA-N 363.436 4.530 0 40 FJAB COc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc(OC)c1 7814183 QEWCHGDFMNIVOS-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)OCc3ncc(-c4ccccc4)o3)cc2)n1 8711508 FDTZWVFITWJPTI-UHFFFAOYSA-N 373.412 4.501 0 40 FJAB CCCCC(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 9087481 YRFMVBPDQWVTFJ-UHFFFAOYSA-N 369.284 4.710 0 40 FJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)C1CCCCC1 9107426 NFLMZOOQEXWJBP-UHFFFAOYSA-N 362.473 4.685 0 40 FJAB Cc1cccnc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 9154404 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CCCCC(=O)Nc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 15671105 QYWFPHNDNHXOEW-UHFFFAOYSA-N 351.406 4.541 0 40 FJAB Cc1cc(C)cc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 17076007 AHXRIUGYRCKQAW-BZSISCHUSA-N 370.562 4.513 0 40 FJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(C(C)(C)C)cc1 20137670 GBTQEQVBHBWOIU-UHFFFAOYSA-N 361.825 4.597 0 40 FJAB CCCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 20411965 COZFCYSEILTBTB-UHFFFAOYSA-N 354.406 4.641 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)CCc2ccc3ccccc3n2)cc1C 21432111 LJMJVOOGJQDZRT-UHFFFAOYSA-N 361.441 4.519 0 40 FJAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(COCC(F)(F)F)cc1 22192943 WSKMVKSLGMMGJR-SFHVURJKSA-N 363.379 4.647 0 40 FJAB O=C(CCOc1ccccc1)N1CCCC[C@H]1c1nc2ccccc2s1 24384247 LITGPMDSSLUNMA-SFHVURJKSA-N 366.486 4.819 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1sccc1-n1cccc1 29615315 HHVOTKGQUAESEF-UHFFFAOYSA-N 364.392 4.830 0 40 FJAB Clc1ccc(Cc2nc(CSc3nnc4ccccn34)cs2)cc1 30922712 UJLYOEPGBAJBFB-UHFFFAOYSA-N 372.906 4.722 0 40 FJAB O=C(/C=C/c1cccc(Br)c1)N(Cc1ccc(F)cc1)C1CC1 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352.478 4.503 0 40 FJAB COc1ccc(-c2nc(NC(=O)CCc3cccs3)sc2C)cc1 7471447 BLOAOTCSJYQWTJ-UHFFFAOYSA-N 358.488 4.760 0 40 FJAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H](c2nc3ccccc3s2)C1 8093729 PBTYRFGIAIVREX-AWEZNQCLSA-N 368.527 4.866 0 40 FJAB CC[C@H](C(=O)OCc1nc(-c2ccccc2Cl)no1)c1ccccc1 8315465 ITWRQEXEEKBQMY-AWEZNQCLSA-N 356.809 4.627 0 40 FJAB O=C(N[C@H]1CCSc2ccccc21)N[C@H]1CCSc2ccccc21 8941417 YHWNDHACNYTFLO-HOTGVXAUSA-N 356.516 4.760 0 40 FJAB Clc1ccc(-n2nnnc2COc2ccc(-c3ccccc3)cc2)cc1 9135294 PNISZHIAOVKTKX-UHFFFAOYSA-N 362.820 4.562 0 40 FJAB CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 9164695 GKSDQMRUPKUHEA-UHFFFAOYSA-N 364.489 4.827 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccc(COC(C)C)o3)n2)cc1 12421897 RBFYVYUIENHLER-UHFFFAOYSA-N 356.447 4.889 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccco2)n1 12886847 AXXNBPGCTLCVIG-CYBMUJFWSA-N 366.442 4.911 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C(C)(C)C)cc1 12929618 WOFZKRPBNBRPAT-OAQYLSRUSA-N 362.473 4.887 0 40 FJAB 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Cc1cc(Cl)ccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222580994 CXAJCFFYLPOJIZ-UHFFFAOYSA-N 355.800 4.805 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3)N21 222704953 PDBAWXFILPMOHI-MAODMQOUSA-N 374.513 4.852 0 40 FJAB CCOc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 225443620 WIGJPXXYNDVYHX-UHFFFAOYSA-N 370.518 4.893 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ccc(Cl)c(Cl)c1 225616325 IPOJRUXTEJPVNJ-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)COc1ccc2c(c1)CCCC2 225739463 QHVQXVKEPVXWJW-SFHVURJKSA-N 365.517 4.817 0 40 FJAB Cc1ccccc1-c1noc(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 225817132 FHCHCJHGQMZLNE-AWEZNQCLSA-N 369.852 4.508 0 40 FJAB COc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1Cl 225995212 ZEYDLVXKYSJXAD-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB CC(C)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408750934 UGHJDLZYPFGLCO-ZIAGYGMSSA-N 374.531 4.724 0 40 FJAB O=C1CC[C@@]2(CCCN(CC3CCCCC3)CC2)N1CC1CCCCC1 585100660 SCJXRRBOIPFENT-HSZRJFAPSA-N 360.586 4.994 0 40 FJAB CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 646413 BNQWASNIOZIIHF-UHFFFAOYSA-N 356.422 4.529 0 40 FJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 655490 DFWHDHFBQSMROE-FYJGNVAPSA-N 373.383 4.749 0 40 FJAB CC(C)CSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 779517 IOHFKBKHRXQLKI-UHFFFAOYSA-N 359.520 4.839 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 783559 NHLFMOBFIGYBJG-NSHDSACASA-N 361.228 4.948 0 40 FJAB CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1-c1ccccc1 783929 WMXMIOXHTDSIIA-UHFFFAOYSA-N 353.491 4.866 0 40 FJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccs1 1412545 ZBNKPZPDFIICPW-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB CC(C)OCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 2199521 LEQONZTUSXWFJB-UHFFFAOYSA-N 364.424 4.601 0 40 FJAB CC(C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 2461021 HCPPMHXQBPDEHJ-UHFFFAOYSA-N 365.501 4.736 0 40 FJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCCc1ccccc1 4033110 GVNNMMIUKVOGCQ-UHFFFAOYSA-N 370.456 4.666 0 40 FJAB O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)NC1CCCC1 4085290 XSMADOWEMRGURW-JLHYYAGUSA-N 355.865 4.991 0 40 FJAB CC(C)[C@@H](C(=O)OCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 4220832 YWABLLGNOOCGIV-GOSISDBHSA-N 370.836 4.873 0 40 FJAB Brc1ccc2oc3c(NCc4ccccc4)ncnc3c2c1 5151244 IJNCDSQSJNTEBC-UHFFFAOYSA-N 354.207 4.751 0 40 FJAB CCOc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1 5268312 PLMKPQNHURDMKX-UHFFFAOYSA-N 356.422 4.529 0 40 FJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1C1CC1 5271056 DBPCSZURWVLTLO-UHFFFAOYSA-N 359.476 4.526 0 40 FJAB CCc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 6882385 XGKPRUCEWBXMJZ-IBGZPJMESA-N 354.837 4.718 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccs1 8721484 IBCWTENQNAPGJO-AWEZNQCLSA-N 359.454 4.849 0 40 FJAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccco1 9141415 MWURPQOWAGERFA-UHFFFAOYSA-N 360.417 4.698 0 40 FJAB CC[C@H](Sc1nnc(-c2cccs2)n1CC)C(=O)Nc1ccccc1 10303249 OZZASFWROSDRBL-AWEZNQCLSA-N 372.519 4.536 0 40 FJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccccc2s1 11807312 MAROGPDQTNRTSU-UHFFFAOYSA-N 367.405 4.662 0 40 FJAB COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 12524715 WYYJSVREMNWIRS-UHFFFAOYSA-N 353.445 4.528 0 40 FJAB O=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 13779118 OTRBQLGJHLMROE-UHFFFAOYSA-N 366.486 4.565 0 40 FJAB COc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1OC 14673859 XMQYSLBQKKAPLH-UHFFFAOYSA-N 367.376 4.888 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 14833593 CQZHTYDLPPLFJT-JWAFFJSPSA-N 356.853 4.520 0 40 FJAB CC(C)c1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 19453202 QPQNIFSIZCPBET-UHFFFAOYSA-N 362.477 4.635 0 40 FJAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCc3ccccc32)s1 19819668 JMJVEYBNSRBLLL-UHFFFAOYSA-N 354.500 4.702 0 40 FJAB COc1ccc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 19872959 YJMXTJIUFWUOAZ-UHFFFAOYSA-N 356.784 4.802 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20142024 HRJSWXRZHHSMOL-UHFFFAOYSA-N 365.429 4.726 0 40 FJAB c1csc(-c2noc(CCCSc3ncnc4ccsc34)n2)c1 22005398 YSVUQZUPZRVBPJ-UHFFFAOYSA-N 360.489 4.528 0 40 FJAB CCCCN1C[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O 27792464 KFKINQWUXSHJQW-MJGOQNOKSA-N 361.489 4.762 0 40 FJAB CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CCCCC1 30475901 NVVLBVWSNJXCOL-UHFFFAOYSA-N 360.498 4.757 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 30893844 OBZLKBJMMIXFHN-CQSZACIVSA-N 360.413 4.625 0 40 FJAB COc1ccc(OC)c(NC(=O)CS[C@H](C)c2ccccc2Cl)c1 33047582 DKNDHDWZBSWPEB-GFCCVEGCSA-N 365.882 4.790 0 40 FJAB CC(C)C(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671715 VAXLFLWVGTZTKU-UHFFFAOYSA-N 365.458 4.657 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(SC)cc2)c1 36360268 OCQSUVZUFFDWNA-KRWDZBQOSA-N 365.458 4.726 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)cc1OC 39547766 HQLNKVZPKOFQCV-GOSISDBHSA-N 373.880 4.654 0 40 FJAB CC[C@H](C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 50545793 MHMOODWSWLVBIZ-ZDUSSCGKSA-N 366.465 4.627 0 40 FJAB CCCN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 58217562 GSFBORUPEOLEKV-NRFANRHFSA-N 352.478 4.519 0 40 FJAB C[C@H](c1ccco1)N(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C1CC1 60301039 YVDPELMCABEXSX-CSMYWGQOSA-N 374.278 4.898 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1C[C@H]1c1ccco1 70017431 PXRROMDHVHEBKK-RKDXNWHRSA-N 350.852 4.860 0 40 FJAB CC(C)[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCc2ccccc21 71795913 ZHWRBIXAAVZBQQ-GOSISDBHSA-N 352.459 4.534 0 40 FJAB CCc1ccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)cc1 72229165 VIGHRTIIKAKULJ-UHFFFAOYSA-N 357.885 4.727 0 40 FJAB Cc1ccccc1N1[C@@H]2C[C@H](Oc3ccccc3)N1C(=O)c1ccccc12 96318814 KZJKXCRUTQCIEV-YADHBBJMSA-N 356.425 4.722 0 40 FJAB Cc1cc2c(cc1C)N[C@@H]1C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)OC1=N2 104239762 QQMNRAXTEHFMRE-NVXWUHKLSA-N 361.228 4.775 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1OC 216488255 VQGGODJWRKBAPW-GFCCVEGCSA-N 365.882 4.785 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219578237 LLMIMLPGTIHBMO-PMACEKPBSA-N 373.468 4.895 0 40 FJAB CCC1(CC)C[C@H](NC(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 223263509 VKHQLCXUXUBRDD-IBGZPJMESA-N 369.461 4.516 0 40 FJAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(OC)c(C)c1 223508174 WVUVGDBDUBPXMD-LJQANCHMSA-N 355.478 4.575 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)COc1ccc2ccccc2c1 223828484 JWEQJPKMGNALQH-UHFFFAOYSA-N 363.457 4.537 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224873941 GCNLQXWDAVFUHL-UHFFFAOYSA-N 353.340 4.691 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 225224533 YVAGLOFAIMWYRR-SFTDATJTSA-N 369.505 4.991 0 40 FJAB O=C(Cc1ccccc1Cl)NCCSCc1ccc(Cl)cc1 225435029 GORGYUONRHRENG-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB COc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225868929 MLGRLFAOIWMHIL-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB COc1ccccc1C(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N 226331596 KGFFUIZBXVHVQJ-HOTGVXAUSA-N 367.493 4.605 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 408927351 ZTJFKIHBQOUAIH-SOFGYWHQSA-N 364.228 4.740 0 40 FJAB C[C@@H](Oc1ccccc1)c1nc(-c2ccccc2OC(F)(F)F)no1 547025325 VRWZGQHEAVYSMP-LLVKDONJSA-N 350.296 4.775 0 40 FJAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1 585260834 KUQMHAPVVFSMBA-FQEVSTJZSA-N 373.460 4.567 0 40 FJAB COc1ccc2nc(S[C@H](C)C(=O)c3cc(C)c(C)cc3C)[nH]c2c1 1643357471 NDVDYPVKCDOPKD-CQSZACIVSA-N 354.475 4.860 0 40 FJAB COC(=O)c1ccc(Cn2c(C3CCCCC3)nc3cc(C)cnc32)cc1 1775971383 ZOOMXQKBZOQZSY-UHFFFAOYSA-N 363.461 4.622 0 40 FJAB CC(C)OC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 882427 BGPIUNSJQJVZHF-UHFFFAOYSA-N 362.451 4.541 0 40 FJAB O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1368603 VKXBMWVFISZRJZ-NHCUHLMSSA-N 367.468 4.533 0 40 FJAB Cc1cc2c(=O)n(Cc3c(Cl)ccc(Cl)c3Cl)cnc2s1 1789848 PEOIXXIDMFRVMZ-UHFFFAOYSA-N 359.665 4.775 0 40 FJAB Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1cc2ccccc2o1 2327392 YKZBPWZMAGFFHW-UHFFFAOYSA-N 360.369 4.839 0 40 FJAB Cn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1 2446952 GBHBNRRWYLODRE-UHFFFAOYSA-N 360.280 4.537 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc(C)c1C 2623352 CKCNTGXBNAHVPR-LLVKDONJSA-N 370.305 4.828 0 40 FJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl 2636679 VFXNRJRZZILSMA-UHFFFAOYSA-N 361.272 4.721 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1Cl 2723003 DHQVXNVVAMONAO-UHFFFAOYSA-N 357.866 4.565 0 40 FJAB Cn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 3317177 RJSAMWDHUQATJX-UHFFFAOYSA-N 358.470 4.759 0 40 FJAB O=C(c1ccccc1)c1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1 3356305 MXQHEHXWWPZYGT-UHFFFAOYSA-N 355.393 4.661 0 40 FJAB CC1(C)OC[C@H]([C@@H](c2cc3ccccc3o2)N(O)Cc2ccccc2)O1 3847534 KIMSDIYGKJKODM-WOJBJXKFSA-N 353.418 4.517 0 40 FJAB biogenic O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C12CC3CC(CC(C3)C1)C2 4138179 ZPCYKRYTUNZNBB-UHFFFAOYSA-N 362.517 4.879 0 40 FJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1 4679235 CDCILSZATJRKFR-UHFFFAOYSA-N 359.832 4.601 0 40 FJAB CCCCc1nc2cc(N)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 4836005 LKFQYGGOMHKNKI-UHFFFAOYSA-N 362.399 4.732 0 40 FJAB Cc1ccccc1N1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 5214092 QSDFTPBPICPAQQ-GDNBJRDFSA-N 374.259 4.998 0 40 FJAB CCN(CC)CCCNCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 5347810 UICZBDAMKPGYLB-YADHBBJMSA-N 360.586 4.687 0 40 FJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 7052198 APDGVMYUUZGXAV-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB COc1ccc(-c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)nn1 7573300 PZJJEKIEBYIAQZ-UHFFFAOYSA-N 374.227 4.711 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1Br 7684023 GOPGZYFKAIFLET-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB O=c1oc2cc(Oc3ncnc4c3oc3ccccc34)ccc2c2c1CCC2 7974729 CBCNANBVDGNASY-UHFFFAOYSA-N 370.364 4.763 0 40 FJAB CCOc1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 8278216 ZCTXWMAZQPUTPM-UHFFFAOYSA-N 353.403 4.569 0 40 FJAB C[C@@H](Cc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1)c1ccccc1 9095428 RNBPXSODENAMLS-ZDUSSCGKSA-N 371.893 4.719 0 40 FJAB O=C(NCCSc1ccc(Br)cc1)Nc1ccccc1F 9218352 SHHVWVXPJZZIAA-UHFFFAOYSA-N 369.259 4.502 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@H](c1cccs1)C2 10156652 ZXEGCPSBDVSAAX-GFCCVEGCSA-N 353.422 4.642 0 40 FJAB COc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1Cl 12765680 SJGKEOVGYQQRDS-UHFFFAOYSA-N 362.838 4.636 0 40 FJAB CCc1cccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1 12825648 OTFHNRDJFNKEBZ-SFHVURJKSA-N 364.489 4.672 0 40 FJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 12904512 KIQQOGAGVVLJHK-AWEZNQCLSA-N 354.837 4.805 0 40 FJAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1 14066205 WFJCHNBKISVBMY-UHFFFAOYSA-N 363.257 4.785 0 40 FJAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccc1 14223760 KNCJNQPGVQFBKQ-UHFFFAOYSA-N 357.862 4.736 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c2c(C)noc2n1 14350406 KSQZURRGTNHAIR-UHFFFAOYSA-N 355.397 4.663 0 40 FJAB Clc1cccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)c1 16837602 SGTRKOSAJYBIQV-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB CCn1cc(CCC(=O)N(C)Cc2cccc3ncccc23)c2ccccc21 19524802 FJHXSAFEPLLZOD-UHFFFAOYSA-N 371.484 4.801 0 40 FJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20142232 GYAUWMUHACMSTA-HNNXBMFYSA-N 365.429 4.869 0 40 FJAB Cc1cccc(-c2nc(CNC(=O)Cc3c(F)cccc3Cl)cs2)c1 20417593 LDJARXPNIJNKPJ-UHFFFAOYSA-N 374.868 4.770 0 40 FJAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C(F)(F)F)c1)NCC2 20506871 GIAAWMMXZKYCJX-LJQANCHMSA-N 365.395 4.738 0 40 FJAB CCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 22507401 VURYTGQORAWLAY-UHFFFAOYSA-N 357.841 4.673 0 40 FJAB CCOc1ccc(-c2nc(CN3CCn4cccc4[C@@H]3C)cs2)cc1 23706868 HPESQPYHUREUBG-HNNXBMFYSA-N 353.491 4.587 0 40 FJAB Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663721 XLGXZWHPYRSTMX-FQEVSTJZSA-N 356.897 4.605 0 40 FJAB C[C@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 29485712 VDAIFANXYRXOQG-GAJHUEQPSA-N 358.485 4.636 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(OC)c1 33734965 TXPGASWPWQUCJM-UHFFFAOYSA-N 351.402 4.833 0 40 FJAB O=C(NCc1ccncc1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 40012847 ZUVIWWDDWWXSLP-UHFFFAOYSA-N 372.346 4.823 0 40 FJAB CCOc1ccccc1NC(=O)N(C)Cc1ccccc1Br 40098784 QMKFEZLUBWRFOJ-UHFFFAOYSA-N 363.255 4.512 0 40 FJAB CCSc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 44938604 RNMCWTVJZMFUCU-UHFFFAOYSA-N 368.546 4.958 0 40 FJAB CSc1cc(-c2csc(Nc3ccccn3)n2)ccc1NC(C)=O 48356300 RVAARPRPIGFNMZ-UHFFFAOYSA-N 356.476 4.629 0 40 FJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2Cc2ccc(F)cc2)n1 72379074 AZHMFIVJABZGPM-HXUWFJFHSA-N 364.468 4.867 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3c(C)cccc3C)[nH]n2)cc1Cl 72427497 YUSPEICNERDKNJ-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB CC(C)c1nc(-c2cc(C(=O)N3CCCCC3)c3ccccn23)cs1 96154844 RUFAKBZYLPRPOT-UHFFFAOYSA-N 353.491 4.812 0 40 FJAB COc1ccc(CN(C)C(=O)Cn2nc(C)c3ccccc3c2=O)cc1F 97362216 KFCKLHDXPNCGQH-WCQYABFASA-N 369.396 2.511 0 40 FJAB CC(C)CN(Cc1ccccc1)C(=O)c1ccc2nc(Cl)n(C)c2c1 222565253 QFOILGJUUHMZHT-UHFFFAOYSA-N 355.869 4.525 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1C 223915747 IAEBUNQCLIGKFU-VGOFRKELSA-N 351.490 4.909 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 224474111 JOYNSXCRQXOZIP-KRWDZBQOSA-N 351.874 4.709 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)cc1Cl 225377358 FBWBKLAUCWCIKY-QGZVFWFLSA-N 371.352 4.697 0 40 FJAB CC(C)CNC(=O)/C=C/C=C/C=C/CCCCc1ccc2c(c1)OCO2 253399283 ITXVWRWWWSDXOY-HNZFQPFYSA-N 355.478 4.569 0 40 FJAB biogenic,in-vitro O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)n1cnc2ccccc21 408734023 DATDALYMGOHTHC-HXUWFJFHSA-N 361.832 4.918 0 40 FJAB C[C@@H](C(=O)Nc1nc2cc(F)ccc2n1C)c1c(Cl)cccc1Cl 608485226 PBEKBVMUEAZGCG-SECBINFHSA-N 366.223 4.761 0 40 FJAB COc1ccc(-c2nc(CSc3nc4ccc(F)cc4o3)co2)cc1 1653091508 CJYICJACUCOXSB-UHFFFAOYSA-N 356.378 4.923 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 682256 YMRNMWGSORIVLS-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB CCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1OCC 936380 KINBUXRWVXNNAW-ZRDIBKRKSA-N 368.458 4.746 0 40 FJAB O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccccc1-c1ccccc1 1903747 SSBUSKAUCVAZNN-UHFFFAOYSA-N 371.289 4.711 0 40 FJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccccc1 2917625 XSYXMCXTUJHTPC-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB C[C@@H](OC(=O)C[C@@H](C)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 3416918 IQTMRWLBCZFZTM-IAGOWNOFSA-N 361.441 4.904 0 40 FJAB Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Cl)cc32)o1 4168624 MRYNRIXLCSXNCO-UHFFFAOYSA-N 353.784 4.814 0 40 FJAB Cc1cccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1C 4619548 VOLSJXOPRXJHHN-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB S=C(Nc1ccccc1)N(CCc1nc2ccccc2[nH]1)C1CCCC1 4858967 OTUHVHSKZPINSM-UHFFFAOYSA-N 364.518 4.747 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)Oc1ccc2c(c1)OCO2 5577224 YMRYZRWWYCIKPA-UHFFFAOYSA-N 373.455 4.503 0 40 FJAB Cc1cc(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)n1C 5938212 VEBABTSFMYRHPN-UHFFFAOYSA-N 374.651 4.642 0 40 FJAB COc1ccc(C)cc1Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 5938993 KZBGXGFHUAZVQI-UHFFFAOYSA-N 353.447 4.829 0 40 FJAB CCOc1ccc(-c2nc(S)c3c(n2)Oc2c(C)cccc2C3)cc1 6000018 CVYOCACNNUYTNB-UHFFFAOYSA-N 350.443 4.836 0 40 FJAB CCCN(Cc1ccccc1)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 6051603 QIYXRCMWBVNVIS-UWJYYQICSA-N 361.913 4.691 0 40 FJAB O=C(NC1CCCCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 6083240 NSXLJRVMRPJLBP-NRFANRHFSA-N 363.457 4.593 0 40 FJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Oc2ccccc2)cc1 6083517 AAIYKSPSZQCDMX-UHFFFAOYSA-N 371.392 5.000 0 40 FJAB C[C@H]1CCc2nc(NC(=O)N[C@H](C)CCCc3ccccc3)sc2C1 6551179 LXFZPGNFVYHECA-LSDHHAIUSA-N 357.523 4.801 0 40 FJAB CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1S[C@@H]1CCOC1=O 6587638 BMPUZHHMEQNSRL-LJQANCHMSA-N 364.470 4.645 0 40 FJAB CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC 6656430 HFYSGYTUZHFZEB-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(SC)cc1 6880103 SMXYNOSVYFZGBG-UHFFFAOYSA-N 351.471 4.843 0 40 FJAB COc1cccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1OC 7990284 SBYIRQLYDWBQKL-INIZCTEOSA-N 361.441 4.862 0 40 FJAB Cc1cccc2nc(CSc3cc(Cl)ccc3Cl)cc(=O)n12 8132449 QVECMLPGOVZWDD-UHFFFAOYSA-N 351.258 4.602 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Br)o1 8189945 VSIHHBQCZFBHCF-UHFFFAOYSA-N 363.255 4.675 0 40 FJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)c1ccccc1 8946153 PFJPHWUHMKJCEF-LBPRGKRZSA-N 355.488 4.705 0 40 FJAB Cc1noc(C)c1COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 9579225 GEANULZULSISIM-UHFFFAOYSA-N 365.307 4.927 0 40 FJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 10406631 XOLGULLBIOGGTL-UHFFFAOYSA-N 361.397 4.779 0 40 FJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2ccccc2)[nH]n1 12550638 LACWNIZNMRKGLN-UHFFFAOYSA-N 360.244 4.656 0 40 FJAB O=C(NCCc1ccco1)c1sc(-c2ccco2)nc1-c1ccccc1 12822285 IRXDJNLICAQEFX-UHFFFAOYSA-N 364.426 4.636 0 40 FJAB CCc1ccc(-c2noc(CN[C@H](c3ccc(F)cc3)C(C)C)n2)cc1 12859963 BPWYJLUKTYEVNN-FQEVSTJZSA-N 353.441 4.925 0 40 FJAB Fc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 19842495 PCECIMWPOAIRAM-UHFFFAOYSA-N 352.497 4.670 0 40 FJAB COc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245873 JCDMYSWVRKKWNP-UHFFFAOYSA-N 357.410 4.595 0 40 FJAB CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)cc1 25513735 WKMNAQNMVYHFNW-GOSISDBHSA-N 363.910 4.849 0 40 FJAB CC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C 27748558 DBAVNKMPSZTKLF-UHFFFAOYSA-N 368.842 4.914 0 40 FJAB COc1ccc(C)cc1-c1csc(NC(=O)c2c(C)oc(C)c2C)n1 28728731 HOAIQBLTJNAUHX-UHFFFAOYSA-N 356.447 4.898 0 40 FJAB CC[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(C)cc1 32475841 JWRZFLLIFPYCCH-LJQANCHMSA-N 363.461 4.635 0 40 FJAB O=C(O[C@@H](c1ccccc1)c1ccccn1)c1ccccc1Br 40059880 RVWAMLRYJGWYHK-SFHVURJKSA-N 368.230 4.791 0 40 FJAB CCN(Cc1ccc(Br)s1)C(=O)Nc1cccc(F)c1 40095873 LHAWSNBGVBYCKI-UHFFFAOYSA-N 357.248 4.704 0 40 FJAB CC(=O)Nc1ccc(NC(=O)NC2CCCCCCC2)c(C(F)(F)F)c1 40104405 VECUEDOTTNBDDQ-UHFFFAOYSA-N 371.403 4.898 0 40 FJAB CC[C@H](C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 40108888 BGWCOWNBNZITBT-QFIPXVFZSA-N 372.468 4.749 0 40 FJAB O=C(/C=C/c1ccccc1OC(F)F)Nc1cccc(N2CCCC2)c1 40146372 SCTTXQVZOLQKAK-ZHACJKMWSA-N 358.388 4.540 0 40 FJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)cc1C 44470822 DNOCHIOZQLTHJQ-INIZCTEOSA-N 368.477 4.791 0 40 FJAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2C)CC1)c1ccc(C)cc1 44935730 ARIYMTRCDYAYQP-HSZRJFAPSA-N 364.533 4.783 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)o2)cc1 49169893 RTTKHPCFRKPFEI-KRWDZBQOSA-N 353.853 4.688 0 40 FJAB biogenic,in-vitro O=c1[nH]c(Cc2ccc(O)cc2)nc2scc(-c3ccc(Cl)cc3)c12 55491743 DZFUOBVPIWMIBJ-UHFFFAOYSA-N 368.845 4.601 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Br)n[nH]2)cc1 57477048 BGECGFONJNMTLN-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1 71844230 OIOIIDGGHNRQAP-IRLDBZIGSA-N 364.489 4.752 0 40 FJAB COc1ccc(C2=CCN(C(=O)[C@]3(C)CCCc4ccccc43)CC2)cc1 72280685 MCYUDMJBIZRJED-XMMPIXPASA-N 361.485 4.605 0 40 FJAB O=C([C@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1)N1CCCCC1 84519355 PWZJKCOWPHNWTN-NHCUHLMSSA-N 368.908 4.671 0 40 FJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 95473013 YXYGIYNXKWSDQR-GOSISDBHSA-N 371.506 4.886 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3cccnc3C(F)(F)F)n2)cc1 97032069 AXPUEKSJUBGWOL-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCCC[Sn](CCCC)(CCCC)c1cccnn1 169994040 DBHSVKZZSWTSTN-UHFFFAOYSA-N 369.141 4.533 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 216268506 IOMCUKDBZIBUMV-CQSZACIVSA-N 362.267 4.780 0 40 FJAB O=C(Cc1ccccc1Cl)N1CCS[C@@H](c2cccs2)CC1 219496976 HEIDSYZMLROHOZ-MRXNPFEDSA-N 351.924 4.651 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3)N21 222704833 PDBAWXFILPMOHI-TYCQWZJGSA-N 374.513 4.852 0 40 FJAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929000 KTNOUERIOYZFFD-UHFFFAOYSA-N 364.681 4.862 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 224935408 KLCKSAVHEAUPAD-OAQYLSRUSA-N 352.478 4.645 0 40 FJAB CCOc1ccc(C(=O)NCCCc2ccccc2Cl)cc1OCC 225063493 KGIVDKNXPVHDFZ-UHFFFAOYSA-N 361.869 4.500 0 40 FJAB Cc1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ccc1Br 225472030 XWQUUHVALXEKDD-LLVKDONJSA-N 367.287 4.944 0 40 FJAB S=C(Nc1ccncc1)NC1(CCc2ccc(Cl)cc2)CCCC1 225874679 NDASGMDFHJWZOB-UHFFFAOYSA-N 359.926 4.967 0 40 FJAB COC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226340140 CTSPYASQTJWLBL-UHFFFAOYSA-N 373.605 4.607 0 40 FJAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1cccc(Br)c1 390832101 XGLWJMCTQPWVNM-HNNXBMFYSA-N 370.356 4.976 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 408790393 QXGBAVJOCWAUHS-PAYZCFPLSA-N 350.487 4.795 0 40 FJAB CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CCC(n2cncc2C)CC1 585082073 YABPTOXWLDAFIX-WRSRUZKNSA-N 371.569 4.988 0 40 FJAB Clc1ccccc1Cn1cc(CN[C@@H]2CCCc3sccc32)cn1 681009968 ZGISTKMUCAYMIM-GOSISDBHSA-N 357.910 4.814 0 40 FJAB C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 1292911447 YVRJEOZIPJEVMT-KZULUSFZSA-N 367.399 4.660 0 40 FJAB Cc1cnc(Nc2cccc([C@@H]3CN(CC4CCCCC4)CCO3)n2)s1 2037834573 QYXKYELEFIUMQH-SFHVURJKSA-N 372.538 4.544 0 40 FJAB COc1ccc2oc(=O)c(-c3csc(Nc4ccc(F)cc4)n3)cc2c1 856339 OOIVREYKDJFTAI-UHFFFAOYSA-N 368.389 4.808 0 40 FJAB CC(=O)N(C)c1cc(NCc2ccccc2)ccc1OCc1ccccc1 1705726 QEEUDQXHVMKMTO-UHFFFAOYSA-N 360.457 4.860 0 40 FJAB CC(C)c1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 1773532 YOLQFRQPZNWTHU-UHFFFAOYSA-N 361.511 4.757 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 3215520 PXQRWDSSMJUSCE-UHFFFAOYSA-N 360.251 4.665 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cl)nc3)c2cc1C(C)C 3511701 XPJYGXVGDVRMBT-UHFFFAOYSA-N 371.820 4.630 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 4703990 PMTUSRXFGSRZSB-UHFFFAOYSA-N 361.283 4.543 0 40 FJAB CCN(CC)CCCNCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 5347812 UICZBDAMKPGYLB-FGZHOGPDSA-N 360.586 4.687 0 40 FJAB CCN(C(=O)COc1ccccc1F)c1nc2cc(Cl)ccc2s1 5938345 UNYLPUDUOURRHB-UHFFFAOYSA-N 364.829 4.521 0 40 FJAB Cc1cc(NC(=S)NCc2ccc(Cl)cc2)ccc1Br 6963673 RDIBHLPNQNSYJO-UHFFFAOYSA-N 369.715 4.898 0 40 FJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCc1ccco1 7752802 DRYTZYYRSMDQSW-UHFFFAOYSA-N 362.404 4.816 0 40 FJAB CCn1c(C)cc(-c2csc(CC(=O)Nc3ccccc3C)n2)c1C 7844764 WVMGCCJDVRNYET-UHFFFAOYSA-N 353.491 4.738 0 40 FJAB CCN(C(=O)/C=C/c1nc2ccccc2o1)c1nc2c(C)cccc2s1 7986098 IMXRMUGOXANPAI-VAWYXSNFSA-N 363.442 4.812 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1C 7988596 ICVMTTLOWCHDJI-FQEVSTJZSA-N 360.457 4.548 0 40 FJAB O=C(NC1CCCCC1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 8813327 MTTSMCYDCFCCAB-IBGZPJMESA-N 365.502 4.845 0 40 FJAB CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(OC)cc2)CC1 8869944 OQXLXTRKYDSJSR-UHFFFAOYSA-N 357.454 4.680 0 40 FJAB CCc1cccc(CC)c1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 11052427 RNNLSINXGXANJY-OAHLLOKOSA-N 365.473 4.827 0 40 FJAB O=C(CSCc1ccc(F)cc1Br)Nc1cccc(F)c1 12667495 JPGXSPAQMBOFOG-UHFFFAOYSA-N 372.234 4.599 0 40 FJAB CC(=O)c1c(C)nc(C)nc1S[C@@H](C)C(=O)Nc1ccccc1C(C)C 12741123 TXAGCOQDERMVLF-AWEZNQCLSA-N 371.506 4.539 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OC[C@H]1CCCO1 12945016 LZOUQCGPUREACG-OAHLLOKOSA-N 365.351 4.516 0 40 FJAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccc(Cl)c1 13569708 YPVFAINEBNGSSX-UHFFFAOYSA-N 373.909 4.912 0 40 FJAB COc1ccc(/C=C(/C(=O)NCc2cccc(C)c2)c2ccccc2)cc1 13649326 VEMLAOJFWLXWFC-XQNSMLJCSA-N 357.453 4.861 0 40 FJAB O=C(Cc1ccc2ccccc2c1)NCCc1ccc(C(F)(F)F)cc1 17918750 BAWFCYNGBORCSJ-UHFFFAOYSA-N 357.375 4.760 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20137595 HDNMJEPIFDFLLP-UHFFFAOYSA-N 355.821 4.907 0 40 FJAB c1ccc(NC2=N[C@@H](c3ccccc3)Nc3c2cnn3-c2ccccc2)cc1 20799566 CQSSLWFOBZGHBO-OAQYLSRUSA-N 365.440 4.855 0 40 FJAB O=C(CCc1ccccc1)Nc1cc(Cl)ccc1OCC(F)(F)F 22615197 DEZLFZAKFOAPQG-UHFFFAOYSA-N 357.759 4.852 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccc(Br)c2cccnc12 27930228 KUTOGVTYXFDSGP-UHFFFAOYSA-N 371.234 4.648 0 40 FJAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(Cl)n1 32932303 YJWAGWUUPNXJMR-IBGZPJMESA-N 350.849 4.757 0 40 FJAB CC(C)(C)c1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1 38738607 AAVFOMAQCVPIRO-UHFFFAOYSA-N 352.463 4.832 0 40 FJAB CCCSc1nnc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)s1 39989121 PPKDAZPSDGPURW-DHZHZOJOSA-N 361.536 4.990 0 40 FJAB C[C@H](NC(=O)NC1CCCC1)c1ccc(NC(=O)Nc2ccccc2)cc1 40123057 FFKRXDQHZYOTFR-HNNXBMFYSA-N 366.465 4.633 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C 44856399 ZSYNBAJOVKWESP-LJQANCHMSA-N 350.506 4.780 0 40 FJAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccco1)CO2 57405736 HGBZPXGEOADBES-UHFFFAOYSA-N 373.408 4.714 0 40 FJAB biogenic O=C(O)c1cc2ccc(OCc3ccccc3)cc2n1Cc1ccccc1 71976887 UKJRUPNEQBNNHO-UHFFFAOYSA-N 357.409 4.967 0 40 FJAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(F)cc1 72229866 FMTKDRWURFSFEW-LJQANCHMSA-N 355.796 4.813 0 40 FJAB C[C@H](Oc1ccc(Br)cc1F)c1nnc(-c2cccs2)o1 72276966 FTAAEBBUAAKGBX-QMMMGPOBSA-N 369.215 4.840 0 40 FJAB Cn1/c(=N\C(=O)CC(c2ccccc2)c2ccccc2)sc2ccccc21 104992739 XBFFRQOHKLZOGO-WCWDXBQESA-N 372.493 4.889 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 118914649 SPFIKHYEPDYDPC-BHXFFAOXSA-N 360.538 4.689 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 119377690 IAAONRVTBJWTGZ-NRFOHOGYSA-N 374.521 4.502 0 40 FJAB C[C@@H]1CCc2c(c(-c3ccccc3)nc3[nH]n(-c4ccccc4)c(=O)c23)C1 170622715 RLZOOPPACNHOTG-OAHLLOKOSA-N 355.441 4.506 0 40 FJAB CC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 201375464 HPFFVDXUPVGEKP-UHFFFAOYSA-N 373.865 4.598 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)[C@H](C)Oc2cccc(F)c2)cs1 208007775 YTZRWMCOEKYBCL-LBPRGKRZSA-N 356.422 4.664 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)CCc2ccccc2Cl)cc1 220016473 BRARKCILNQYAJK-UHFFFAOYSA-N 359.897 4.809 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1Cl 222635515 YZAABIMTMZNMQS-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222968059 FJBYGBJIZWIMQR-SJORKVTESA-N 351.490 4.773 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 223386309 KQBPTUFTGJISNV-AWNIVKPZSA-N 357.881 4.846 0 40 FJAB O=C(CSCc1c(F)cccc1Cl)NCCc1ccc(Cl)cc1 223455221 IFSZINVURDCXCD-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C 224474250 BOJJHWGATDGPDO-SFHVURJKSA-N 363.910 4.714 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1CSc1ccc(C)cc1 224665510 FVGKQWHRJICMBH-UHFFFAOYSA-N 355.503 4.922 0 40 FJAB Fc1cccc(F)c1NC(=S)NCCSCc1cccc(Cl)c1 225299829 ZZXHNHZHTLNDGO-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(OC)cc1 225487403 ZTILZZRNSYTIJZ-INIZCTEOSA-N 364.898 4.795 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccccc2C)c(C)c1 225754223 RSQVVCVXVXRELN-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cccc2ccccc12 225799223 NQZDSTOJGXSFRJ-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(OC(F)F)cc3F)cs2)o1 512496343 UDJXARKIRBHFMZ-UHFFFAOYSA-N 368.336 4.704 0 40 FJAB CN(C1CCCCC1)[C@H](c1ccc(F)cc1)c1nnnn1C1CCCCC1 883958 SOKMNHUOJCZRKE-HXUWFJFHSA-N 371.504 4.671 0 40 FJAB C[C@@H](NCC=C(c1ccsc1)c1ccsc1)[C@@H](O)c1ccccc1 1844844 JQSHEDRVRBSFCZ-FOIQADDNSA-N 355.528 4.953 0 40 FJAB in-man Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC3CCCC3)cc12 2425408 PZZLRONSFMOMFC-UHFFFAOYSA-N 359.882 4.721 0 40 FJAB COCCNc1nc(SCc2ccc(Cl)cc2)nc2ccccc12 2948615 CXEIENDRQFJMOX-UHFFFAOYSA-N 359.882 4.634 0 40 FJAB O=C(/C=C/c1cccs1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479422 MEGRKQMNEDZCJO-GQCTYLIASA-N 366.229 4.757 0 40 FJAB O=C(O)c1ccccc1C(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 5774899 JQMIWORAWDIYQN-IBGZPJMESA-N 366.800 4.985 0 40 FJAB COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)cs1 5971951 SCIVHYCWFGTWOB-UHFFFAOYSA-N 370.499 4.858 0 40 FJAB CCOP(=O)(OCC)/C(=C/c1ccccc1)NC(=O)c1ccccc1 6206999 CRKMSIYQAHPZBD-OBGWFSINSA-N 359.362 4.681 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 6338816 NSSYMXWHGODBDL-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB CC(=O)Nc1ccc(C(=O)CSc2cccc(C(F)(F)F)c2)cc1 6404775 TZTAFVZHHMLJJG-UHFFFAOYSA-N 353.365 4.639 0 40 FJAB CCN(c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1)C(C)C 6507216 JYVFGCHDZBOWHI-UHFFFAOYSA-N 354.347 4.730 0 40 FJAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cc2ccccc2oc1=O 7285305 OOJSRMYAJDIHLA-UHFFFAOYSA-N 353.377 4.617 0 40 FJAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cccc2n1 7388804 CXIFEKNYAQGLQV-UHFFFAOYSA-N 369.877 4.632 0 40 FJAB COc1ccc(NC(=O)c2cc(F)ccc2Br)cc1Cl 8135294 RDSFKBHUCJJNJW-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1 8739629 VENGYPNOQYXRLX-UHFFFAOYSA-N 366.233 4.551 0 40 FJAB O=C(NCCCc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 10260973 CIUYRUBOHZTHPH-UHFFFAOYSA-N 363.248 4.624 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 11746178 PVYKDDYTUIMOOS-MRXNPFEDSA-N 368.502 4.550 0 40 FJAB Cc1ccc(C)c(NC(=O)c2cccnc2SCc2c(C)noc2C)c1 12878446 BZMAUBDDXUUZLN-UHFFFAOYSA-N 367.474 4.848 0 40 FJAB O=C(CCCc1nc2ccccc2s1)Nc1nc2ccccc2s1 12929433 XZRLSIPBPRSZLI-UHFFFAOYSA-N 353.472 4.867 0 40 FJAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c(C)n1Cc1ccco1 12997851 DAXORARNUOHPAZ-UHFFFAOYSA-N 373.250 4.761 0 40 FJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2F)c(C)s1 14103088 QBTVUXVUZWITMX-UHFFFAOYSA-N 358.413 4.886 0 40 FJAB Fc1ccc2[nH]cc(CCNC(=S)Nc3ccc(F)c(Cl)c3)c2c1 17075159 MKYOKXXYYMFZHZ-UHFFFAOYSA-N 365.836 4.629 0 40 FJAB Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccc(OC(F)F)cc1 17075187 BMDIDEJVAKPEER-UHFFFAOYSA-N 366.314 4.957 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc2cccnc12 18947910 NDMGWWIITHROIN-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1OC 20459478 QHFHGKMXJGPQKO-SNVBAGLBSA-N 369.845 4.616 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 20460212 CEDSGYIXCZJAOY-FQEVSTJZSA-N 359.469 4.991 0 40 FJAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 24565458 JUOZYFIJKRPQCV-CYBMUJFWSA-N 356.422 4.664 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 27379910 YDKWURZPBDKSQI-INIZCTEOSA-N 370.518 4.500 0 40 FJAB O=C(NC[C@H](c1ccccc1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 28292009 IXNYAKRQUZEWFR-GPUVRGFBSA-N 366.549 4.546 0 40 FJAB CC(C)Oc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 32287946 WOQNAPQJYVFNJF-UHFFFAOYSA-N 353.340 4.510 0 40 FJAB CCCCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 39422288 XPZKVHSLACPMLN-UYRXBGFRSA-N 353.393 4.739 0 40 FJAB COc1ccc2oc(C(=O)Nc3nc4c(OC)cccc4s3)c(C)c2c1 39975526 UBTWJWBOQMASQQ-UHFFFAOYSA-N 368.414 4.620 0 40 FJAB Cc1cc(OC(=O)Cc2csc(-c3cccnc3)n2)cc(C)c1Cl 59281661 HDRYMQFCHBDYMB-UHFFFAOYSA-N 358.850 4.623 0 40 FJAB Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3cc4ccccc4o3)c(=O)[nH]2)c1 71793167 VOSRBDPDRRJTDB-HNNXBMFYSA-N 372.424 4.588 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 78457871 XFAQCDDDLQBNCV-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cc1 89980284 WWIFWTRBMBFYFS-GCJKJVERSA-N 363.461 4.578 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cccc(Cl)c2)C(=S)N1 101170041 SUQOMLUYSBDCQW-APWZRJJASA-N 358.894 4.837 0 40 FJAB O=C1CC(C(F)(F)F)=Nc2ccccc2N1c1ccc(OC(F)F)cc1 102505052 SYDHWTIHXXDHDW-UHFFFAOYSA-N 370.277 4.991 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl 108068439 RRLOZMIQDIHEAH-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB O=C(Cc1ccccc1F)N1CCS[C@@H](c2ccccc2Cl)CC1 206995838 GBWMGMPJNUBMNM-GOSISDBHSA-N 363.885 4.728 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)ccc1Cl 222849297 QIGOINVDIZHXRQ-CQSZACIVSA-N 366.288 4.818 0 40 FJAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 222901046 YGOLQGYRHGNPQB-LJQANCHMSA-N 353.506 4.943 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)CCc2c(Cl)cccc2Cl)c1 224112743 ZIOHJOMYFWCRSC-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 224192750 IOAMWBOMVVWQNA-WOJBJXKFSA-N 362.502 4.512 0 40 FJAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc2ccccc2c1 224309550 YORZHUCYDOQIRX-UHFFFAOYSA-N 363.457 4.956 0 40 FJAB NC(=O)c1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(N)c1 225447574 IYSDTQHBYCIOKX-UHFFFAOYSA-N 353.809 4.557 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225537347 MXEHLNCDBOIDLG-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB CCOC(=O)c1c(NC(=O)c2cc(C)c(C)cc2C)sc2c1CCCC2 225643538 ZJDICDILGJVRKX-UHFFFAOYSA-N 371.502 4.981 0 40 FJAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC)c(C)c1 225819031 ZUJUYLDAGUMHBV-OAQYLSRUSA-N 363.457 4.803 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 225900051 PYLMPVSVJUZYPG-CQSZACIVSA-N 354.837 4.746 0 40 FJAB COC(=O)c1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 226762019 OIBPSIGZYRLEEW-OAQYLSRUSA-N 359.425 4.899 0 40 FJAB COc1cccc(-c2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)c1 257299473 RQFAEKLDAGZNSO-QHCPKHFHSA-N 359.473 4.879 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2cccc(C(=O)O)c2)n1 257331019 XRAXPCYEZKVZEY-GOSISDBHSA-N 368.433 4.519 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 408574016 HDRNMAZDEJVVAA-OAHLLOKOSA-N 357.475 4.763 0 40 FJAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2cccc(C)c2)c1 408843819 SOMBOKZAZKEFHT-RCCKNPSSSA-N 353.425 4.533 0 40 FJAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3C)cc2)c1 409261752 DGXWJOJEKBCYDG-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB O=C1CC[C@]2(CCCN(CC3CCCCC3)CC2)N1Cc1ccccc1 585100867 ZRKPUUVINLJEGZ-QHCPKHFHSA-N 354.538 4.614 0 40 FJAB CC1(C)Cc2cc(SCCCn3c(O)nc4ccccc43)ccc2O1 1614773172 PHSHEPZYTFGORE-UHFFFAOYSA-N 354.475 4.638 0 40 FJAB CC(C)COC(=O)NC1CC2(CCN(Cc3ccc(C(C)C)cc3)CC2)C1 2056225854 DCHZBXQDSINZIF-UHFFFAOYSA-N 372.553 4.937 0 40 FJAB O=C(NC1CCCC1)c1cccc(COc2ccc(Br)cc2)c1 679886 HHKUYIKWTYNBIZ-UHFFFAOYSA-N 374.278 4.701 0 40 FJAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(C)=O)c3)nc2c1 1019396 ZYQFHYPVSBLJOF-LBPRGKRZSA-N 367.474 4.841 0 40 FJAB OC1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1 1688499 UQNYLRPFZWLLMC-RBUKOAKNSA-N 361.407 4.545 0 40 FJAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 2183156 DQGSEFYRYSGNGV-UHFFFAOYSA-N 356.516 4.746 0 40 FJAB CCC[C@@H]1Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CO1 2229363 ACJJYOHACYTHHA-CYBMUJFWSA-N 371.531 4.807 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(COCC(F)(F)F)c2)c(C)c1 2794212 DEAQMKJGOGQDGB-OAHLLOKOSA-N 365.395 4.873 0 40 FJAB COc1cccc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120606 HLCPGZMKNKNRNG-PKTZIBPZSA-N 360.409 4.597 0 40 FJAB CC(C)(C)N(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 4106377 HMHRNUTWYIJNGJ-UHFFFAOYSA-N 357.397 4.699 0 40 FJAB COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1 4267835 LNDLBUYMCOMVRK-UHFFFAOYSA-N 358.393 4.811 0 40 FJAB biogenic COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 4278863 SZAKFTBQJNHUDY-UHFFFAOYSA-N 364.470 4.950 0 40 FJAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(OCc3ccccc3)cc1)N2 4501939 MFGVTOAYAMLXOR-LJQANCHMSA-N 364.470 4.798 0 40 FJAB CCSc1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1 4585794 UQXFPPMAWCNCFM-UHFFFAOYSA-N 350.415 4.939 0 40 FJAB COc1ccccc1-n1c(-c2ccccc2)cnc1SCCC(C)=O 5114314 SEOGUMMSDLWKBV-UHFFFAOYSA-N 352.459 4.619 0 40 FJAB Oc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 5522545 OEHUHLVATFHZFQ-UHFFFAOYSA-N 352.246 4.776 0 40 FJAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc2ccccc12 6296179 UBSTYINYJIVQKZ-UHFFFAOYSA-N 350.443 4.529 0 40 FJAB Cc1nc(SCC(=O)c2ccccc2Br)c2ccccc2n1 6550440 WSORNXXINADUAL-UHFFFAOYSA-N 373.275 4.676 0 40 FJAB O=C1C[C@@H](c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2s1 6719680 ULYSTVSATAQRQE-ZDUSSCGKSA-N 363.417 4.534 0 40 FJAB Cc1cccc(C)c1OCc1nnc(SCc2ccccc2Cl)n1C 6860897 LAZSJTSJEGHCBM-UHFFFAOYSA-N 373.909 4.957 0 40 FJAB COc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=NCCCC1 7276435 AAQMSRJABKLXDW-UHFFFAOYSA-N 356.853 4.620 0 40 FJAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)cc1 7499909 SATFGUKNAJJPAD-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB CCN(CC)c1nc2c(-c3cccc(F)c3)nnn2c2ccc(Cl)cc12 7615885 UTSHWEWQDCSQMX-UHFFFAOYSA-N 369.831 4.583 0 40 FJAB O=C(NOCc1ccccc1)c1cc(-c2cccs2)nc2ccccc12 8096896 URBZLFPRTDPYFK-UHFFFAOYSA-N 360.438 4.825 0 40 FJAB COc1cc2c(cc1NC(=O)c1cn3ccc(C)cc3n1)oc1ccccc12 8272770 FSLWQBJTWWDMJY-UHFFFAOYSA-N 371.396 4.803 0 40 FJAB C=C1S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 8344813 AFZOFIWSYGTRCN-INIZCTEOSA-N 350.365 4.836 0 40 FJAB CCCOc1cc2cc(C(=O)c3ccccc3O)cnc2cc1OCCC 8429702 RWKLOWVSQRRIFC-UHFFFAOYSA-N 365.429 4.749 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 9058070 OWJXLOSDTFSXKR-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901161 BPQKRXKGPMJNLW-ZDUSSCGKSA-N 370.905 4.887 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 10410424 WRFVXWCPLOADJL-UHFFFAOYSA-N 357.322 4.861 0 40 FJAB Cc1ccc(C)c(Cn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667283 KCLCXPXJGLIADS-KRWDZBQOSA-N 373.456 4.785 0 40 FJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Cl)cc1 12928636 CNQMDNBBIDMAIJ-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c2c1C(=O)CCC2 14094550 ZINSFMAUQOGARO-UHFFFAOYSA-N 360.413 4.887 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccc(F)cc3)cc12 16058420 UONCVBOKQGYYDV-GFCCVEGCSA-N 359.470 4.692 0 40 FJAB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCO)c1C 16956779 MTBIFQLNHHCHMM-VZCXRCSSSA-N 358.894 4.712 0 40 FJAB Cc1nc(C)c(CC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 19560554 DNDCVTFTDRSMNW-UHFFFAOYSA-N 361.467 4.512 0 40 FJAB Cc1cc(-c2csc(NC(=O)c3ccc4c(c3)ncn4C)n2)c(C)s1 19718538 WTXIGPIBWAKVOT-UHFFFAOYSA-N 368.487 4.627 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-n2ccnc2)cc1 19934694 XAKSRTRTLJPMTO-XBXARRHUSA-N 372.255 4.509 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSc1ccc(C)cc1 20458676 LEQJGEPKLMAJPK-LJQANCHMSA-N 357.519 4.678 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)c12 22139236 FTWOKHNJDCQNEX-IBGZPJMESA-N 367.424 4.675 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2ccc(C)cc2)c1 27920077 USDHAKLXOFVBSD-UHFFFAOYSA-N 370.840 4.546 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1 27991562 CVXGXJVYKDGCIV-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB O=C(c1cccc(Br)c1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32073918 KCABQHXDNLDCRQ-UHFFFAOYSA-N 369.262 4.735 0 40 FJAB COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 36621046 NBGOGWHZCLZLRE-KRWDZBQOSA-N 360.841 4.726 0 40 FJAB CC(C)[C@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1cccs1 39983338 RAUCFDPRAFWQTN-ACJLOTCBSA-N 373.547 4.932 0 40 FJAB Brc1cc(-c2ccccc2)ccc1OCCC1CCNCC1 42770519 FOTKUCKWGCQLRE-UHFFFAOYSA-N 360.295 4.885 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44839403 DLVKQIUIUGUJMS-OAHLLOKOSA-N 371.440 4.730 0 40 FJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2c(F)cccc2Cl)C1 49549119 FTNGSOUKBBWDCN-ZDUSSCGKSA-N 355.800 4.848 0 40 FJAB C[C@H](c1ccccc1Cl)N(C(=O)c1cc(-c2cccnc2)on1)C1CC1 49653856 BHOFSILRYNQKFT-CYBMUJFWSA-N 367.836 4.756 0 40 FJAB CCc1cc2oc(=O)cc(CN3CCC[C@H]3c3cccn3C)c2cc1Cl 58165852 AACFYQPJROKNRN-IBGZPJMESA-N 370.880 4.684 0 40 FJAB COC(=O)/C=C/c1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 62715777 KYQZZMYVSRWHAT-UKTHLTGXSA-N 354.446 4.758 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 71761687 RQJPCFJKCZILPE-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB Cc1csc(C2(NC(=O)Nc3ccccc3OC(F)(F)F)CCC2)n1 72313551 KRXWWZKZSHWCEQ-UHFFFAOYSA-N 371.384 4.551 0 40 FJAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)n1 72369941 OTGWGOKLQZVOLD-MRXNPFEDSA-N 353.853 4.688 0 40 FJAB O=C(Nc1ccc(-c2ccn[nH]2)cc1)c1cccc(Oc2ccccn2)c1 96122680 WJPFFSCWJOGSLV-UHFFFAOYSA-N 356.385 4.516 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(Cl)c2)cc1 222769747 NIJBNFUXOJNROP-IBGZPJMESA-N 361.869 4.631 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C 223495706 CYUBQWRADYMGDD-GOSISDBHSA-N 351.490 4.747 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 223987682 HEIWPJWBKVYPQX-UHFFFAOYSA-N 353.462 4.896 0 40 FJAB Fc1ccc(CSCCCNC(=S)Nc2ccccc2F)cc1 225614847 MQYDWBFTCMUHLW-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB CO[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@@H](C)C1 225633880 OYWYNLDOZIXESP-VGOFRKELSA-N 353.462 4.799 0 40 FJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225887317 VNOLTSZPVDNXBJ-NRFANRHFSA-N 358.482 4.946 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)n1 225915850 GATRDEOLGNAJDJ-MRXNPFEDSA-N 374.488 4.588 0 40 FJAB COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 244024904 SRCONKJBMHBVCT-UHFFFAOYSA-N 369.442 4.597 0 40 FJAB O=C(NCc1nc(C2CCCCC2)cs1)c1nc2ccccc2s1 390832274 YIQWKRSNEMAVGI-UHFFFAOYSA-N 357.504 4.731 0 40 FJAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2cccc3cccc1c23 408548780 VASSBWRWFKPCJP-HNNXBMFYSA-N 366.420 4.980 0 40 FJAB Cc1cc(C)cc(CSCC(=O)NCCSCc2ccccc2C)c1 409029077 VMOCMGQMKNCZBZ-UHFFFAOYSA-N 373.587 4.895 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc2ncsc2c1 575620463 KIXADFRTTXSIHD-LBPRGKRZSA-N 352.484 4.872 0 40 FJAB O=C(O[C@@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1)c1ccccc1 712539 MLIXBYKGYZTPME-FGZHOGPDSA-N 372.420 4.757 0 40 FJAB Cc1cc(Cl)nc(SCC(=O)N(c2ccccc2)c2ccccc2)n1 877979 PZBWDCDZROGJPF-UHFFFAOYSA-N 369.877 4.895 0 40 FJAB O=C(c1ccc(I)cc1)c1c[nH]cc1-c1ccccc1 982045 KKEBDQQJMCFMEV-UHFFFAOYSA-N 373.193 4.517 0 40 FJAB Cc1ccc(OCCCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3244863 PBNUULKBMMICCH-UHFFFAOYSA-N 352.261 4.777 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2)cc1 3437410 KYJWMEROZYEEGD-NRFANRHFSA-N 360.457 4.514 0 40 FJAB COc1ccc(-c2csc(NC(=O)CCOc3ccccc3)n2)cc1C 3892393 NCTMJQBYOVVEJE-UHFFFAOYSA-N 368.458 4.535 0 40 FJAB Cc1ccc(OC2=N/C(=C\c3ccco3)C(=O)N2c2ccccc2)c(C)c1 4664735 ULIHFFLBWGRWIL-RGEXLXHISA-N 358.397 4.719 0 40 FJAB CC(C)(C)c1cc(C(F)(F)F)n(-c2nc(-c3ccccn3)cs2)n1 4914443 SFHHPLFRHBKNOB-UHFFFAOYSA-N 352.385 4.707 0 40 FJAB COC(=O)c1ccc2c(c1)C=C[C@@]1(O2)c2ccccc2-c2ccccc2N1C 5125517 DBPQWWIARNILFJ-XMMPIXPASA-N 369.420 4.849 0 40 FJAB COCCOc1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1Cl 5355875 HLZRDESCOAUUBU-UHFFFAOYSA-N 374.651 4.924 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2)cc1OCC 6340606 HDWLLIGUAFACII-UHFFFAOYSA-N 351.805 4.919 0 40 FJAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccco1 6508574 IYQGIFQKIPVFDB-UHFFFAOYSA-N 353.230 4.886 0 40 FJAB COc1ccc(CNc2ncnc3sc4c(c23)CCCCC4)cc1OC 6510549 JKNVNRLTFJXSDX-UHFFFAOYSA-N 369.490 4.590 0 40 FJAB CSc1ccc2cc(COC(=O)/C=C/c3cccn3C)c(Cl)nc2c1 6605725 WTZCUOLLHOYMCF-SOFGYWHQSA-N 372.877 4.705 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCc1cccc(C(F)(F)F)c1 7755950 SOVKSBSUHQNAHB-UHFFFAOYSA-N 359.347 4.554 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)C[C@@H](NC(C)=O)c1ccccc1 7801608 MIXFFOMSPNNKQP-LJQANCHMSA-N 372.896 4.671 0 40 FJAB CC(C)Oc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 8049975 DETNVRWRUOEJNK-UHFFFAOYSA-N 363.910 4.790 0 40 FJAB Cc1cc(C)nc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 8301482 BIVGMTJNXBTXAV-UHFFFAOYSA-N 352.246 4.867 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C 9320915 GXCPDQPSBLIMLF-HNNXBMFYSA-N 367.836 4.527 0 40 FJAB C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1 11257144 PCHKSIPFTLVCKO-INIZCTEOSA-N 369.424 4.895 0 40 FJAB Cc1cc(OCCCCn2c(CO)nc3ccccc32)cc(C)c1Cl 11735026 PAKOSASVLWLQJG-UHFFFAOYSA-N 358.869 4.658 0 40 FJAB CN(Cc1ccc2ccccc2c1)C(=O)COc1ccc(F)cc1Cl 12853114 CPZFKFFQINAUCL-UHFFFAOYSA-N 357.812 4.670 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)C(C)(C)C)cc2c1 13776866 PBNIGLLFURYTKO-UHFFFAOYSA-N 354.494 4.544 0 40 FJAB Oc1cc(CSc2ccc(Cl)cc2)nn1-c1nc2ccccc2o1 14607847 OMOSSGALUVLWJB-UHFFFAOYSA-N 357.822 4.665 0 40 FJAB Cc1ccc(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)cc1 17042447 BVKNVMRAKKZSJF-UHFFFAOYSA-N 372.476 4.935 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20141821 LVYZXOPXJYFLSS-UHFFFAOYSA-N 368.216 4.731 0 40 FJAB O=C(CSCc1ccccc1)NCCSCc1ccccc1Cl 20237661 PCXUZQADIADEBD-UHFFFAOYSA-N 365.951 4.623 0 40 FJAB CCc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 22527934 GJQUMKDIDKKXMU-UHFFFAOYSA-N 353.443 4.842 0 40 FJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1cc(Br)cn1 28224168 WMYJBXOITZXZTD-CYBMUJFWSA-N 370.250 4.512 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1CC[C@H](c2ccccc2)C1 38567292 FTVNHELUXOAQJR-ZDUSSCGKSA-N 364.670 4.732 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1c1ccsc1 40107695 JVEDYHDOAVNARK-OAHLLOKOSA-N 358.488 4.679 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 40135233 VJNLGOVNINZWAW-INIZCTEOSA-N 357.523 4.727 0 40 FJAB COc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1 44758276 PHJYSEPODHQBKU-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB CC[C@H](Nc1ccccc1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58313776 ZGDHKFREWWHQPI-INIZCTEOSA-N 351.450 4.955 0 40 FJAB CCCCn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67259701 JLYLTZKXPVLMFR-UHFFFAOYSA-N 360.429 4.767 0 40 FJAB CC[C@@H](C(=O)NCc1ccc(C(=O)c2cccs2)s1)c1ccccc1 90610557 BALXKTLYQSPIDX-MRXNPFEDSA-N 369.511 4.851 0 40 FJAB CCOc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1C 95097202 BBKMJXLWBGBHCC-UHFFFAOYSA-N 353.443 4.811 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3cccc4ccccc34)c12 97134584 SIWKHSPCKGXGOX-UHFFFAOYSA-N 358.397 4.919 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccc(SC(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 107450076 YTDPRMKIDRNKTG-GQILCNHXSA-N 351.462 4.955 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C3CCCC3)N21 222686917 ZZKFFDLDWJJNJZ-CWFSZBLJSA-N 366.534 4.978 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1OC 223275955 IXMOBSIXNLXNQT-UZLBHIALSA-N 363.457 4.883 0 40 FJAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1C 223445916 YQMQSIXNYZNCNX-CQSZACIVSA-N 369.889 4.585 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1cc(C)cc(C)c1 224189898 HXMJLLVGBWACCJ-UHFFFAOYSA-N 367.489 4.954 0 40 FJAB O=C(CCc1ccccc1Cl)NCc1cccc(CN2CCCCC2)c1 224688623 LNEUJVRBPADTLQ-UHFFFAOYSA-N 370.924 4.575 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1Cl 225249015 OAVZBCFTBLXWIT-CYBMUJFWSA-N 359.853 4.633 0 40 FJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1 225323352 RJDJJXUHRGWRNG-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CC(C)C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 225493458 HZZLUDFQFLXVFG-QGZVFWFLSA-N 356.491 4.532 0 40 FJAB CC(C)Sc1nnc(NC(=O)CSCc2cccc(Cl)c2)s1 225838265 YWZFBHMKVYMHFO-UHFFFAOYSA-N 373.956 4.564 0 40 FJAB O=C(O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339878 YWXVCZQWHIQBOE-UHFFFAOYSA-N 359.578 4.519 0 40 FJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(OC[C@@H]2CCCO2)nc1 253473522 VSXNAAOXZFYFCB-IBGZPJMESA-N 374.440 4.559 0 40 FJAB Clc1ccc(Cc2nc(CN3CCO[C@@H]4CCCC[C@H]43)cs2)cc1 613449395 IVZPOUBWTDCOEK-QZTJIDSGSA-N 362.926 4.531 0 40 FJAB C1=C(c2ccco2)CN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 671698227 FKSSMBHWZASGTB-UHFFFAOYSA-N 367.474 4.559 0 40 FJAB COc1ccccc1[C@H](C)Nc1ncnc2sc3c(c12)CC[C@H](C)C3 1187391248 LBGBYDIXTSDXFU-STQMWFEESA-N 353.491 4.998 0 40 FJAB COc1ccc(-c2nc3scc(-c4ccccc4)c3c(=O)o2)cc1OC 939298 OLKBGVUTAOCHQH-UHFFFAOYSA-N 365.410 4.601 0 40 FJAB CCCn1c([C@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 1927024 GQPJYNDYEKYPEH-IBGZPJMESA-N 363.505 4.892 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F 4280929 NLRGWKVQZPYNNM-UHFFFAOYSA-N 370.545 4.708 0 40 FJAB COc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1Cl 5360961 QLKDLDHSEWBTRP-LDADJPATSA-N 363.800 4.846 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCC 5475079 ILWLXRFJLQCEGF-UHFFFAOYSA-N 357.450 4.752 0 40 FJAB O=c1oc2ccccc2cc1C1=NO[C@H](c2c(Cl)cccc2Cl)C1 5604916 MQFKZXXUUFLZTP-INIZCTEOSA-N 360.196 4.966 0 40 FJAB Cc1ccc(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)cc1 5942533 DJZKUCBWVIUSBK-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1Cl 6202711 JQBZUBXRBGGZEY-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)ccc1Br 6963669 LCOKBLTUBPQDDI-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 7141071 PCGUZMLTHUCGQH-UHFFFAOYSA-N 363.442 4.634 0 40 FJAB O=C(CCSc1nc2ccccc2s1)NCCSc1ccccc1 7434418 VEQXZZSIIPCHNU-UHFFFAOYSA-N 374.556 4.687 0 40 FJAB O=C(Nc1ccccc1Br)c1ccc(N2CCCCC2)cc1 7504967 XWLWMQHONQSUNY-UHFFFAOYSA-N 359.267 4.692 0 40 FJAB C[C@@H](O)c1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1 7540799 OXUZQYCYZLOOHN-LLSKXSJZSA-N 351.490 4.914 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccccc1OCCOc1ccccc1 7639100 XNJULZNMCGKRRX-UHFFFAOYSA-N 351.377 4.536 0 40 FJAB O=C(Cc1ccccc1Cl)N[C@H](c1ccc(F)cc1)c1cccs1 7736810 BNKJWZNKIBTOAI-LJQANCHMSA-N 359.853 4.989 0 40 FJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)ccc1F 7886527 ZYDYUUIASWFXSP-INIZCTEOSA-N 363.230 4.565 0 40 FJAB CCc1ccccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 7928773 PUVCLAIYPBVZLP-GOSISDBHSA-N 365.473 4.639 0 40 FJAB C[C@H](CCc1ccccc1)NC(=S)Nc1cccc(Br)c1 8104588 LGVKQMROHXWCOE-CYBMUJFWSA-N 363.324 4.757 0 40 FJAB c1ccc2c(-c3nnc(SCc4cscn4)n3C3CC3)c[nH]c2c1 8230870 SGUOJEFATXLGMM-UHFFFAOYSA-N 353.476 4.510 0 40 FJAB CCOc1cc(CNC2CCCCCC2)cc(Br)c1OC 8253586 NRPLTNRZAHDHDO-UHFFFAOYSA-N 356.304 4.669 0 40 FJAB C[C@H]1CCC[C@@H](C)N1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8560144 RJQGLVKBKBQJEN-BETUJISGSA-N 363.914 4.665 0 40 FJAB O=C(c1csc(-c2cccs2)n1)N(Cc1ccc(F)cc1)C1CC1 8724240 KHXVHSBDZKHTFD-UHFFFAOYSA-N 358.463 4.816 0 40 FJAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)n(C)c2ccc(Cl)cc12 9264135 HKOMQICVWZRETG-UHFFFAOYSA-N 365.864 4.594 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 11916553 WMAVCXLHKSZAQL-UHFFFAOYSA-N 352.459 4.777 0 40 FJAB Cc1cc(-c2cnc(NCc3cccs3)nc2-c2ccoc2C)on1 12251486 FWGTUWCMYYZGHK-UHFFFAOYSA-N 352.419 4.682 0 40 FJAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccncc1 12609772 RXRBKSGLHVWBST-UHFFFAOYSA-N 369.424 4.975 0 40 FJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)cc1C 12651990 KYOKGDJVYNPRFE-JCMHNJIXSA-N 368.436 4.943 0 40 FJAB CSc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl 14155809 IDCHILLQAJURTG-UHFFFAOYSA-N 369.914 4.864 0 40 FJAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(Cl)c1 14668637 ZTXNHGIIHAGETL-LLVKDONJSA-N 360.866 4.642 0 40 FJAB O=C(c1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 14813954 ZDTOXUIEGQIETR-UHFFFAOYSA-N 358.279 4.544 0 40 FJAB O=C(c1ccncc1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19336648 GIXSQMGHHXGAJS-IBGZPJMESA-N 365.408 4.633 0 40 FJAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCCc2ccccc21 28227465 ZBJGQLZKXPVZAM-UHFFFAOYSA-N 351.377 4.591 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)C12CC3CC(CC(C3)C1)C2 31071899 OWLRAZIWCCKEAE-UHFFFAOYSA-N 351.412 4.880 0 40 FJAB O=C(Nc1ccccc1N1CCc2ccccc21)C1C[C@@H]2CCC[C@H](C1)C2=O 31532451 ZTEVZAJCLBPJDC-DFNIBXOVSA-N 374.484 4.715 0 40 FJAB COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(C)=O 32826181 VAIDMMRAYJYNJZ-UHFFFAOYSA-N 368.220 4.604 0 40 FJAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3F)C3CC3)on2)cc1 32833405 HPNRWSLZDSLVQK-UHFFFAOYSA-N 350.393 4.594 0 40 FJAB COc1ccc(Cl)cc1CSCc1nnc(-c2ccc(F)cc2)o1 32891489 DBLYRTWGYSYQQV-UHFFFAOYSA-N 364.829 4.971 0 40 FJAB CCCN(CCC)Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1 33640306 UDWOJTOOZQKHPI-IBGZPJMESA-N 352.522 4.670 0 40 FJAB Cc1ccc(C)c(-n2c(SCc3ccncc3)nc3ccccc3c2=O)c1 35312846 YGJYSDRWVXEHKB-UHFFFAOYSA-N 373.481 4.690 0 40 FJAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 35600950 GYPOTVXOBVHNEB-ZJUUUORDSA-N 369.214 4.595 0 40 FJAB O=C(CSC(c1ccccc1)c1ccccc1)NC(C1CC1)C1CC1 40039665 RBEIWCIMEMRNTO-UHFFFAOYSA-N 351.515 4.814 0 40 FJAB Cc1ccc(-n2c(SC[C@@H]3CCOC3)nnc2-c2ccccc2F)cc1 42129174 XOANJHXDKIXQEU-OAHLLOKOSA-N 369.465 4.510 0 40 FJAB Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)c(Cl)c1 57354900 CFNXQQYINXFSGF-UHFFFAOYSA-N 363.244 4.817 0 40 FJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1csc2c1CCCC2 58157904 GFCXRAZQHXCGGO-UHFFFAOYSA-N 366.486 4.563 0 40 FJAB CC(C)(C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccccc1 58162923 OIDXELIEUVIYBT-UHFFFAOYSA-N 374.937 4.810 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3)o2)cc1 63887849 NQJBHJITYXNXDH-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1ccc(F)cc1 67260746 HXSVOWQAYAVEPY-UHFFFAOYSA-N 369.399 4.504 0 40 FJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2)cn1 72215814 KWXRDMOUDJXHQQ-SFHVURJKSA-N 353.466 4.969 0 40 FJAB C/C(=C\C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(F)cc1 98055467 UDBJJZJHFDNYOL-LCJXNMAOSA-N 363.436 4.512 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OC(C)C)cc1 218985113 GTJNVAQOTXHYSJ-IBGZPJMESA-N 353.462 4.814 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccccc2)s1 222796845 NWHHXWZWPSIIFL-INIZCTEOSA-N 367.474 4.618 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(Br)cc2)cc1 222871982 YNTMWFRGQQIDKG-QGZVFWFLSA-N 362.267 4.808 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224821442 KPKYOFOZWMSKJG-HNNXBMFYSA-N 373.865 4.655 0 40 FJAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225058108 BXGUXIWFANJMNS-UHFFFAOYSA-N 363.841 4.848 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1cc(C)c2nc(N)sc2c1 226314205 ZUUQOYIJMOSPPA-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(N)c1 226348372 NFWJSIDNNXUFKS-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1 226357433 CNOSQALPNXOYGX-UHFFFAOYSA-N 363.196 4.944 0 40 FJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N)cc1Cl 227158598 RUZJUTAOSBWSSS-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB Cc1nc(-c2ccc([C@@H]3CCCN3C(=O)OC(C)(C)C)nc2)sc1C 257288741 PVKXEEJOTXBMCV-INIZCTEOSA-N 359.495 4.894 0 40 FJAB CCN(C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 257345117 JWPJWGDDEDOKCM-UGGKCQTMSA-N 351.575 4.623 0 40 FJAB CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[nH]2)cc1 534783890 SFRCJYOHEUXGCF-OAQYLSRUSA-N 360.457 4.629 0 40 FJAB CSc1ccccc1C(=O)NC[C@@H](c1csc2ccccc12)N(C)C 575622462 ZATJVZRNJVHTRG-KRWDZBQOSA-N 370.543 4.656 0 40 FJAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1 585140397 CXOPHQDZOQCVOK-JTQLQIEISA-N 363.866 4.867 0 40 FJAB COc1ccc2c(c1)[C@@H](Nc1ccc3c(cnn3C(C)C)c1)CCCO2 679148663 VPINCFRHRFONBQ-IBGZPJMESA-N 351.450 4.952 0 40 FJAB C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCCCCC1 1311669244 DBECXLASAIQIEY-LJQANCHMSA-N 371.569 4.557 0 40 FJAB CN(C)c1ccc(C(=O)NCCc2ccc(-c3cccs3)s2)cc1 1889276380 FEJGQVIEUBFNBO-UHFFFAOYSA-N 356.516 4.515 0 40 FJAB CC(NC(=O)Nc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F 694690 PSYFTUQYDXHPJJ-UHFFFAOYSA-N 350.262 4.845 0 40 FJAB biogenic CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 814134 JOHFIFHJURHYAV-NRFANRHFSA-N 360.413 4.562 0 40 FJAB CC(=O)Oc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 995476 DMBNMPQAOKVXDB-UHFFFAOYSA-N 372.380 4.672 0 40 FJAB Cc1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1Cl 2136140 YUGNLIMKXBCFEX-UHFFFAOYSA-N 368.889 4.857 0 40 FJAB Cc1cccc(NC(=O)CSc2nc(C)nc3c2oc2ccccc23)c1 2345402 DHSCETNRXHXQLR-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB O=C(NC(=S)Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1 3225842 LGNUMYGJCGGHDW-UHFFFAOYSA-N 364.445 4.543 0 40 FJAB COC(=O)c1ccc(COC(=O)c2ccccc2Oc2ccccc2)cc1 3263242 FFFWCLPTCNLKQJ-UHFFFAOYSA-N 362.381 4.623 0 40 FJAB Cc1ccc(-c2csc(NC(=S)NC(=O)C3CCCCC3)n2)cc1 3292957 KIQCHVYXLHRWGF-UHFFFAOYSA-N 359.520 4.512 0 40 FJAB Cc1ccc(NC[C@@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3)c(C)c1 3648923 CBQPEPQQQHZPFT-LJQANCHMSA-N 362.517 4.918 0 40 FJAB CC1(C)CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)S1 4207784 QJAFAODLTDWNGM-UHFFFAOYSA-N 361.417 4.885 0 40 FJAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)cc1Cl 4735182 RMNUTBHBBCRXJL-UHFFFAOYSA-N 350.809 4.807 0 40 FJAB CCC(C)(C)Nc1c(-c2ccc(OC)c(OC)c2)nc2cccc(C)n12 4848466 LPTSTJIZXARAJR-UHFFFAOYSA-N 353.466 4.927 0 40 FJAB COc1cc(CNCc2ccco2)ccc1OCc1cccc(Cl)c1 4942820 RDWCXQVYOUKBOI-UHFFFAOYSA-N 357.837 4.810 0 40 FJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)/C=C/c1cccc(Cl)c1)CC2 5428655 RLNPBDQQLYEUHX-NPQIQWPPSA-N 371.864 4.516 0 40 FJAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 6285367 KPQAOMFCZOGNLV-OAHLLOKOSA-N 360.413 4.521 0 40 FJAB O=C(/C=C/c1ccccc1F)OCc1csc(-c2ccc(F)cc2)n1 6429848 ARNPEJPEAWGPAC-JXMROGBWSA-N 357.381 4.845 0 40 FJAB CCCCCCNCc1cc(Br)c(OCC)c(OCC)c1 7260959 JLEIHCTYPYLIOE-UHFFFAOYSA-N 358.320 4.916 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c(C)c1 7318721 OJJGAXAEYBQATR-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB O=C(NCCCn1cnc2ccccc21)c1ccccc1Nc1ccccc1 8429251 ABTVLMRSVBASGZ-UHFFFAOYSA-N 370.456 4.600 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CCc3ccccc3)ccc1O2 9134985 NWZOQWQLAWJQQL-UHFFFAOYSA-N 372.424 4.924 0 40 FJAB Cc1ccc(C)c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 9196655 PQWFCCVNDSAIHM-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB COc1ccccc1OCCN1CCC(c2nc3ccccc3s2)CC1 9481113 FVHOXCYLXZYGFF-UHFFFAOYSA-N 368.502 4.563 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10366151 STMLWSVTOXECKI-UHFFFAOYSA-N 352.478 4.520 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C)c1 10546900 CHRMFKHAGRJFSR-CVTTXWKISA-N 359.473 4.599 0 40 FJAB CSCc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 10996542 XOQVAUGQVWDWBP-UHFFFAOYSA-N 351.471 4.512 0 40 FJAB Cn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2ccccc2)c1=S 12792515 KWKUMRBHAIOFFR-GOSISDBHSA-N 368.481 4.552 0 40 FJAB Clc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)c(Cl)c1 13131547 FLHFELVWOFKPSS-QWHCGFSZSA-N 351.262 4.793 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSc1ccc(Cl)cc1 13709690 NAANCZOIMLFQGG-LBPRGKRZSA-N 370.301 4.669 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 14577270 LPFPFZXTPYHDNZ-QFIPXVFZSA-N 361.441 4.532 0 40 FJAB Cc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccc(F)cc1 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372.852 4.726 0 40 FJAB O=C1CCc2cc(NC(=O)c3ccc(-c4ccccc4Cl)o3)ccc2N1 33066414 WYMVXAFTOTYROL-UHFFFAOYSA-N 366.804 4.737 0 40 FJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 44948175 MIGCVLAWLKVLLQ-KRWDZBQOSA-N 372.317 4.873 0 40 FJAB COc1ccc2[nH]cc(C3=CCN([C@H](C)c4nc(C(C)C)no4)CC3)c2c1 47257451 QSBBWVYPFRJRJK-CQSZACIVSA-N 366.465 4.533 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(OC)cc1 71844328 ZVGMHJSNELGZBH-YADHBBJMSA-N 351.490 4.813 0 40 FJAB CC(C)N1CCC2(CC1)C[C@H](NCc1cccs1)c1ccccc1O2 96242711 MNJANUORIVAWED-IBGZPJMESA-N 356.535 4.605 0 40 FJAB Fc1cc(F)cc(Nc2nc(Cl)nc(NCC3CCCCC3)n2)c1 199800903 AAJZEDPLMJPVDM-UHFFFAOYSA-N 353.804 4.539 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)cc1 219594232 YXTLVHDNOVKACK-OAQYLSRUSA-N 369.505 4.690 0 40 FJAB Cc1c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(C(C)C)c1C 222588536 RSKBDVQIEXKVEY-SVIJTADQSA-N 368.550 4.979 0 40 FJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222891376 JUMAMXLOLRIKAX-PMACEKPBSA-N 363.486 4.724 0 40 FJAB Cc1ccccc1OCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 223448125 YZDOLSXAQDWMPW-RELWKKBWSA-N 357.453 4.731 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1 223956955 VHIGLJJFTIAYKP-LAUBAEHRSA-N 351.490 4.909 0 40 FJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnn(-c2ccccc2)c1 224054038 VGYVXTOUDDRTNR-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225637975 WNMJZNPLCZEDDB-MRXNPFEDSA-N 358.507 4.536 0 40 FJAB CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225677402 XPACRVRWYTWVFA-SFHVURJKSA-N 370.518 4.983 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2 225735566 IBIBIVPNNILZJM-FQEVSTJZSA-N 367.489 4.663 0 40 FJAB COc1cccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225834311 IJGVTNICCUIFMA-UHFFFAOYSA-N 374.815 4.854 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 408779763 KBJBXGOUEUOYNA-CFINBHSISA-N 362.857 4.641 0 40 FJAB O=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1c1ccccc1 408815088 IFZPYILGDXOPER-SSZFMOIBSA-N 354.431 4.511 0 40 FJAB COC(=O)c1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2ccc(O)cc12 643397 BAIWCMVCAXSKQZ-UHFFFAOYSA-N 351.446 4.788 0 40 FJAB CCOc1ccc(S(=O)(=O)N2c3ccc(C)cc3C(C)=CC2(C)C)cc1 855428 DEEUXNHJUZGTFW-UHFFFAOYSA-N 371.502 4.785 0 40 FJAB Nc1ccc(C(=O)OCCCN(C2CCCCC2)C2CCCCC2)cc1 1646595 RYOAQAYVLLERES-UHFFFAOYSA-N 358.526 4.783 0 40 FJAB C[C@@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1 4214464 JQSHEDRVRBSFCZ-QRWLVFNGSA-N 355.528 4.953 0 40 FJAB in-man C[C@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)[C@@H](C)CC1=O 4337454 MDWDYOWWFHITDX-KBPBESRZSA-N 352.459 4.709 0 40 FJAB CN(C)Cc1ccc(Cl)cc1C(O)(c1ccccc1)c1ccccc1 4975100 YNSYOGUWHDIBCL-UHFFFAOYSA-N 351.877 4.686 0 40 FJAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccccc1Cl 5137061 OPCRVCDIVCOGOK-UHFFFAOYSA-N 374.868 4.884 0 40 FJAB CCc1ccc(C2=NN3[C@@H](CCSC)Oc4ccccc4[C@H]3C2)cc1 5139293 XOPSOKBNERJUMB-TZIWHRDSSA-N 352.503 4.872 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCC2)cc1 5235423 QJTFFRBOVKXHDK-IBGZPJMESA-N 364.445 4.518 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)c(OC)c1 5446510 RBYCIBNMIAZBSA-IBGZPJMESA-N 364.445 4.518 0 40 FJAB O=C(OCc1ccc(Br)cc1)c1cccc(Br)c1 6240890 BGVDJSQCDMJISH-UHFFFAOYSA-N 370.040 4.569 0 40 FJAB CCN(CC)Cc1nc(N[C@H](C)c2ccccn2)c2c(C)c(C)sc2n1 6589377 OSRJPMDVMJGQGH-CQSZACIVSA-N 369.538 4.718 0 40 FJAB Cc1csc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 7293888 WMWCFIGDLTWLCD-LBPRGKRZSA-N 362.520 4.800 0 40 FJAB CC(C)CCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7545074 VQOFWKBXQSUSMM-INIZCTEOSA-N 365.452 4.742 0 40 FJAB Cc1occc1-c1nnc(S[C@H](C)c2nnc(-c3ccccc3)o2)o1 7825471 IDOFVVYMCXHBQU-LLVKDONJSA-N 354.391 4.541 0 40 FJAB CCCc1ccc([C@@H](NCC(=O)Nc2ccccc2OC)C(C)C)cc1 7851402 SZNAFIRJWGJXQY-QFIPXVFZSA-N 354.494 4.573 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 7928927 RTHGLKUECQURSR-SJLPKXTDSA-N 365.473 4.775 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 8040608 KDTQCOMDRQLPDS-LJQANCHMSA-N 359.469 4.977 0 40 FJAB CC(=O)CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 8392871 YAUHXMIHCFRUEY-UHFFFAOYSA-N 371.893 4.583 0 40 FJAB Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 10260391 KGERIHMBHGKFRZ-UHFFFAOYSA-N 368.868 4.936 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Br)cc1 11637168 WBVLYFCYRRBXCF-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1 12421879 JWNGIMUEXZXBNI-UHFFFAOYSA-N 359.223 4.768 0 40 FJAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(F)ccc3F)cc2)CC1 12601796 BUSKNAVGUWSOBM-OAHLLOKOSA-N 373.447 4.640 0 40 FJAB Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 13003566 ONZMPHONPDVJNX-UHFFFAOYSA-N 367.245 4.800 0 40 FJAB C[C@H](NC(=O)c1ccccc1NC(=O)C1CCCCC1)c1ccccc1 13686681 JGSDZBHLKKPBDK-INIZCTEOSA-N 350.462 4.696 0 40 FJAB Cc1cccn2cc(COC(=O)c3ccc(OCc4ccccc4)cc3)nc12 14675606 NPUFURXMTKZDDQ-UHFFFAOYSA-N 372.424 4.579 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1 20610605 IYKSIVDQKLSFSN-ZRDIBKRKSA-N 372.428 4.789 0 40 FJAB O=C(Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)NC1CC1 24440379 UIUGLSKZFJBJCJ-UHFFFAOYSA-N 371.440 4.890 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2o1 24587133 KEUCPFRNSMYZQS-VIFPVBQESA-N 364.232 4.882 0 40 FJAB CCCCN1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 27792519 BILMCYOFFIKLTE-RGFVMQALSA-N 373.500 4.866 0 40 FJAB CCCOc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 28231850 WXCTUOWYKQIENE-UHFFFAOYSA-N 355.459 4.973 0 40 FJAB CC(C)c1ccc(OCC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc1 32096651 RLRAAGMQHHJRNW-UHFFFAOYSA-N 362.473 4.861 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 36620599 DZFMAGZMUUJDRV-LJQANCHMSA-N 361.482 4.649 0 40 FJAB CCOc1ccc(NC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 38699248 YJRDHICDXBNJOS-UHFFFAOYSA-N 367.449 4.555 0 40 FJAB CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 38755899 CZEYJVSTHMGICU-SFHVURJKSA-N 351.899 4.547 0 40 FJAB COc1ccc(C2=CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 40122429 DGSLJNOCOCRTTP-UHFFFAOYSA-N 361.363 4.644 0 40 FJAB CC[C@H](C)[C@H](NC(=O)CSc1ccccc1C)c1nc2ccccc2[nH]1 40146177 MAPJHDPXQXFZKP-XOBRGWDASA-N 367.518 4.867 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 44849218 BHZDGTSPRITJOE-SJORKVTESA-N 355.478 4.853 0 40 FJAB O=C(NOCc1ccccc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 58390733 RYZCPTBKZVBOMN-IAGOWNOFSA-N 364.470 4.594 0 40 FJAB CCOc1ccc(NCn2nc(-c3ccccc3Cl)oc2=S)cc1 59475373 LFSUILNZRSIBDZ-UHFFFAOYSA-N 361.854 4.994 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C)nc1 67296416 FOHCIYCTKFRALV-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB C[C@H](NC1(CNCc2cnc(C3CC3)s2)CCCC1)c1ccccc1 97015936 DVRNCKAHCAFCGG-INIZCTEOSA-N 355.551 4.774 0 40 FJAB COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1scnc1-c1ccccc1 102724665 IMUAPECKAHILIV-HZPDHXFCSA-N 350.443 4.561 0 40 FJAB Cc1csc(C2=C(O)CN(Cc3ccc(Cl)cc3Cl)C2=N)n1 102734710 PPTAMXGAMRFMMZ-UHFFFAOYSA-N 354.262 4.520 0 40 FJAB CCc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 216756738 JJJZWQIYXSRQHQ-UHFFFAOYSA-N 354.866 4.659 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1Cl 223784053 HDOHONFGZJPGHD-UHFFFAOYSA-N 371.915 4.591 0 40 FJAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3)ccc2OC)c1 224251134 GYEHYNCOCDPKHP-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1C 224255972 MLYYNAWKHPAEFU-OALUTQOASA-N 365.527 4.937 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Cl)cc1 224453084 WSHMCHPMEJEVSS-IAGOWNOFSA-N 371.918 4.974 0 40 FJAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224480470 PCLBUPAXFWQMSK-UHFFFAOYSA-N 361.507 4.972 0 40 FJAB O=C(COc1cccc2c1CCCC2)NCc1ccc(Cl)cc1Cl 225159357 URULKSBSPAHBQU-UHFFFAOYSA-N 364.272 4.567 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225703965 RGDMUNQVMJWPAC-QFBILLFUSA-N 355.478 4.601 0 40 FJAB O=C(NCc1cccn1-c1ccccc1)c1ccc2sc(Cl)nc2c1 225984436 YMJUJOWJBIVBCG-UHFFFAOYSA-N 367.861 4.670 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccccc3)N21 260775078 PDBAWXFILPMOHI-CZAAIQMYSA-N 374.513 4.852 0 40 FJAB Cc1cc(CN(C(=O)c2oc(C)nc2C)C2CCCC2)c2ccccc2n1 329891008 HERBCASPWDLVJQ-UHFFFAOYSA-N 363.461 4.733 0 40 FJAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 408624695 VRPUIXHXPJMEJF-UHFFFAOYSA-N 373.865 4.617 0 40 FJAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1Cl 408626812 IPMTVMHEQSMXMF-UHFFFAOYSA-N 373.865 4.598 0 40 FJAB Cn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2ccccc21 408713053 IKNYZTLEFRFHOI-UHFFFAOYSA-N 370.408 4.583 0 40 FJAB O=C(c1cc2ccccc2c(O)n1)N(Cc1cccc(F)c1)C1CCCC1 521858429 IPABMHGDLDXBSQ-UHFFFAOYSA-N 364.420 4.665 0 40 FJAB Cc1cc(Br)cc(C=C(Br)Br)c1 1083804956 JYPIUZDDGWGITM-UHFFFAOYSA-N 354.867 4.846 0 40 FJAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966824 DCDWXHJASCXMGI-IBGZPJMESA-N 352.459 4.579 0 40 FJAB COc1ccc(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 670678 ITPKHYHZDHBZCO-UHFFFAOYSA-N 354.409 4.914 0 40 FJAB Cc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336615 WHOHXMLDXXSVHN-UHFFFAOYSA-N 356.853 4.775 0 40 FJAB CCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2ccccc2C)s1 1345281 RWXNLGWTXNLHBR-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB CCOC(=O)N1CC(C)=C(C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 1626428 IIOYPSZEONUMLS-UHFFFAOYSA-N 372.252 4.551 0 40 FJAB Cn1nc(-c2ccccc2)c(CSc2ccccc2C(=O)O)c1Cl 2567102 UHXDJEWUSOLGEL-UHFFFAOYSA-N 358.850 4.731 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)c1 2723020 MZYCLLNQMWUPAS-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB O=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)nc2ccccc12 2747469 PUCIOYCGZIPAER-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1cc2ccccc2o1 3333641 NTTGSELMSMICET-UHFFFAOYSA-N 366.388 4.810 0 40 FJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1c[nH]c2ccccc12 3337051 GYQFCHDMNOOGQQ-UHFFFAOYSA-N 365.404 4.545 0 40 FJAB Cc1cc(C)cc(-n2c(SC(C)C)nc3c([nH]c4ccccc43)c2=O)c1 4106601 OCFIWOUUQCVBLP-UHFFFAOYSA-N 363.486 4.984 0 40 FJAB Cn1c(-c2cccc(Br)c2)cnc1NCc1ccccc1F 4678229 QHQKZQAAWYDXGU-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NCc1cccs1 4849506 UDRXGINSDJENDR-UHFFFAOYSA-N 370.543 4.884 0 40 FJAB CCCCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc12 5024564 OMALIHRRGXSNHV-UHFFFAOYSA-N 351.450 4.637 0 40 FJAB C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1 5210357 LAFSAINANIHXDS-SFHVURJKSA-N 369.468 4.505 0 40 FJAB CCc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1 5674395 QVCNCVLPEDOFCG-UHFFFAOYSA-N 356.422 4.882 0 40 FJAB CCCC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 5859054 CAHOODNELLLAQU-UHFFFAOYSA-N 351.233 4.984 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c(Br)c1 6217349 DCUPBSPJBDTOCF-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB O=C(/C=C/c1cccs1)Nc1nnc(SCc2ccccc2)s1 7688061 CRPJUCZOIBMDGW-CMDGGOBGSA-N 359.501 4.544 0 40 FJAB Fc1ccccc1-c1nnc(SCc2nc3ccccc3o2)n1C1CC1 8342693 RVLHBWLGHXTHLF-UHFFFAOYSA-N 366.421 4.853 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1C[C@H]1CCCO1 9368293 CUNXJVQATBKUQX-DENIHFKCSA-N 358.441 4.585 0 40 FJAB O=C(NCCCOC1CCCCC1)C1c2ccccc2Oc2ccccc21 11355859 VCMPBROERRJGCC-UHFFFAOYSA-N 365.473 4.780 0 40 FJAB Cc1cc(C)c2nc(C)cc(NC(=O)c3cncc(Br)c3)c2c1 12421874 DELGRZFKXKNOPG-UHFFFAOYSA-N 370.250 4.570 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 12754372 WCNIINBYPJQUKO-CYBMUJFWSA-N 363.841 4.543 0 40 FJAB C/C=C/c1cc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc(OC)c1OC 14701282 PYGOTCPDFZBCBJ-FNQPIQQGSA-N 369.461 4.627 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 15008292 WJRXGXMPBXLLML-UHFFFAOYSA-N 366.230 4.875 0 40 FJAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]21 15227634 UXMMJWNHLXEBLE-GMQQQROESA-N 355.437 4.611 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cncc(Br)c1 15982767 OVDJYPLTRGPWHX-UHFFFAOYSA-N 365.230 4.668 0 40 FJAB Oc1c(Br)cc(-c2nc3ccccc3o2)cc1Br 16052439 DMOJYCAJRLAKQW-UHFFFAOYSA-N 369.012 4.725 0 40 FJAB in-vivo Fc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 16208425 CWHXCLFWODGHCU-UHFFFAOYSA-N 362.433 4.761 0 40 FJAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2cnc(C(C)C)nc2)cc1 19454158 VXFLEUOBDVRCOX-CMOCDZPBSA-N 365.521 4.671 0 40 FJAB CC(=O)c1ccc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)cc1 20745201 FHJNVMRPYHTRGY-UHFFFAOYSA-N 364.348 4.770 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22606203 CNRASQMKPAYPAZ-SXSDINLZSA-N 353.462 4.520 0 40 FJAB Cc1cccc(NC(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 23140478 PEFQHUWWBPLERS-CQSZACIVSA-N 368.462 4.518 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(F)cc1 25534201 WUDNXYOQKQADTR-OAQYLSRUSA-N 350.437 4.993 0 40 FJAB CC[C@]1(C)Cc2sc3[nH]c(=S)n(-c4ccc(C)cc4)c(=O)c3c2CO1 26802947 FRTOHJSTHQDJEE-LJQANCHMSA-N 372.515 4.660 0 40 FJAB CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C 36741275 CFRADDLXFKVKJF-LJQANCHMSA-N 374.598 4.629 0 40 FJAB CC1CCC(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 40144238 BMBJOTAVWZNGBO-UHFFFAOYSA-N 369.690 4.892 0 40 FJAB O=C(Nc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078943 RKWZDJAXESXYEJ-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB O=C(O)c1cnc(-c2ccc(Cl)c(Cl)c2)nc1Nc1ccccc1 49469653 XIYBZEXXWQPKPZ-UHFFFAOYSA-N 360.200 4.892 0 40 FJAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(F)c1 57508758 AAHVOFVHUPKGGC-KUHUBIRLSA-N 354.450 4.593 0 40 FJAB C[C@H](OCCCNC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccccc1 58172894 ORLAOWXLNWGYPB-AWEZNQCLSA-N 356.853 4.719 0 40 FJAB Fc1cc(NC(=S)Nc2ccc3c(c2)CCC3)cc(F)c1N1CCCC1 64893114 YSBQOTBQFONZJT-UHFFFAOYSA-N 373.472 4.863 0 40 FJAB Cc1cn2cc(NC(=O)CCCOc3cccc4ccccc34)ccc2n1 65565512 ZQEJPIXHBYKZIB-UHFFFAOYSA-N 359.429 4.594 0 40 FJAB O=C(CCn1ccc2ccccc21)N[C@H]1CCCc2c1[nH]c1ccccc21 96223931 GYBLUGRXZIYHHC-FQEVSTJZSA-N 357.457 4.707 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 113950648 LPERLDSSSQEPPM-FQEVSTJZSA-N 353.849 4.967 0 40 FJAB COc1ccc([C@H]2CCCCN(C(=O)CCSc3ccccc3)C2)cc1 208003951 JOOWHTKOMLJIIU-IBGZPJMESA-N 369.530 4.974 0 40 FJAB CN(CCCNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 218980022 LBIGUYQGFAGDAB-UHFFFAOYSA-N 374.484 4.522 0 40 FJAB O=C(CSC1CCCC1)N1CCS[C@@H](c2ccccc2F)CC1 219072843 ZAZNVVZCXWRACQ-QGZVFWFLSA-N 353.528 4.508 0 40 FJAB O=C(Cc1ccc(F)cc1)NCCSCc1c(Cl)cccc1Cl 223510408 DMPPNYIUSLKGQE-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223709529 MYHVNVJTTPMUCK-UXHICEINSA-N 355.478 4.737 0 40 FJAB Cc1ccccc1CSCCNC(=S)Nc1cccc(Cl)c1 225360107 LLMISSFYCFMKEZ-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225569602 ORHLGOKQHSCHIY-UHFFFAOYSA-N 367.489 4.779 0 40 FJAB COC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 226325157 BKOHKGUSTWINII-UHFFFAOYSA-N 356.805 4.867 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCCSc2ccccc2)cc1 250535752 LVASPPKCRNMDQU-DJPFJPOOSA-N 367.514 4.776 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 408573378 DCBRXJLFNOTJER-INIZCTEOSA-N 371.502 4.904 0 40 FJAB C[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)no1 534834963 AXKOGKZLBBKBNG-OAHLLOKOSA-N 363.461 4.568 0 40 FJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccccc1C(F)(F)F 585146699 DGKHGCQJQSBQBG-ZDUSSCGKSA-N 365.376 4.922 0 40 FJAB Cc1csc([C@H]2CCCCN2C(=O)c2cnc(-c3ccco3)s2)n1 591201156 GBIVCEJKYHSEHA-GFCCVEGCSA-N 359.476 4.535 0 40 FJAB Cc1noc(C)c1CCCNc1nc(-c2ccccc2)nc2ccccc12 1639630202 CWZGFQAWWMFNHH-UHFFFAOYSA-N 358.445 4.946 0 40 FJAB Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2Nc2ccccc2)cc1 851278 OCWSKBSKQSTJEH-XMHGGMMESA-N 359.454 4.714 0 40 FJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1 1312245 AYYAJHNQPOZMFN-VOTSOKGWSA-N 364.228 4.857 0 40 FJAB Cc1cc(C)cc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 1336625 XRGDQSBFYVLSAL-UHFFFAOYSA-N 354.425 4.569 0 40 FJAB Cc1cc2nc([C@H](NC(=O)c3ccccc3Cl)C(C)C)[nH]c2cc1C 1388510 UFIBLMCUMSRDFA-GOSISDBHSA-N 355.869 4.960 0 40 FJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 2274343 LUHNIWUPVMFEOD-CQSZACIVSA-N 372.515 4.516 0 40 FJAB Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 2624122 OFLXRUOGYVILFN-LJQANCHMSA-N 363.486 4.847 0 40 FJAB CCCOc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)OC)cc1 2889609 OWEVMBWOSDVQAQ-UHFFFAOYSA-N 361.463 4.585 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1 3216057 NCIVGALLVYRBOP-UHFFFAOYSA-N 361.397 4.908 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3315813 KSHREIPELQYGPG-UHFFFAOYSA-N 353.443 4.735 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccccc1OC(F)F 3333572 NZNQLQLATAACET-UHFFFAOYSA-N 366.795 4.794 0 40 FJAB CC[C@H](C)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3344282 FJMJSQGKEMMTAO-UKYUDJEDSA-N 363.436 4.606 0 40 FJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)C1 3671343 XGZUOJSRRGIHTF-VGOFRKELSA-N 366.461 4.573 0 40 FJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4247978 BITXMAYQYBLCDX-GHTZIAJQSA-N 362.454 4.999 0 40 FJAB Cc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(C)C 4264734 VVXNKCFPQPKPJP-UHFFFAOYSA-N 353.491 4.732 0 40 FJAB COc1cccc(CNCc2cccnc2)c1OCc1ccc(Cl)cc1 4450519 XLCKDKVJHVYWNH-UHFFFAOYSA-N 368.864 4.612 0 40 FJAB Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1C 4595392 UEFYUDBQTMTRKB-FQEVSTJZSA-N 368.477 4.583 0 40 FJAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccccn1 6821275 WYDIDIJMJPOSLS-UHFFFAOYSA-N 373.412 4.671 0 40 FJAB Cc1cc2nc(NCCNc3cccc4ccccc34)c3ccccc3n2n1 7777111 ZMBDUKZCAATFKD-UHFFFAOYSA-N 367.456 4.868 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1 8162632 UDWNUWJJBATJIJ-UHFFFAOYSA-N 355.619 4.755 0 40 FJAB CCN(C(C)=O)c1nc(/C=C/c2nc3cc(C)c(C)cc3s2)cs1 9389099 UJUWNJCPBBKYEM-VOTSOKGWSA-N 357.504 4.913 0 40 FJAB COc1cccc2cc(-c3csc(NC(=O)c4ccccc4F)n3)oc12 10748284 DNENSUADNCVFFG-UHFFFAOYSA-N 368.389 4.956 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2ccccc2)C(C)C)c2c1[C@H](C)CC2=O 11052933 WMWMPWFYUJBNMI-MWTRTKDXSA-N 365.473 4.577 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)NCc3cccc(Cl)c3)o2)cc1 11375913 PHIAVFHDHFRAFW-UHFFFAOYSA-N 354.837 4.552 0 40 FJAB CCn1c(C)cc2cc(NC(=O)C[C@@H](C)n3nc(C)c(C)c3C)ccc21 12148362 BEZQDNWXATUATJ-CQSZACIVSA-N 352.482 4.681 0 40 FJAB CSc1ccc(Cl)c(C(=O)NCCCn2ccc3ccccc32)c1 12606784 SLFAPNNJDWECMZ-UHFFFAOYSA-N 358.894 4.837 0 40 FJAB Cc1ccc([C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 12698788 SZYNGZTVBPPJDA-XMMPIXPASA-N 354.453 4.925 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 12899368 QJTFZIFRVNQWAS-AWEZNQCLSA-N 352.459 4.833 0 40 FJAB O=C(CCSCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1 12948088 KXNFIHUEPRTURV-UHFFFAOYSA-N 373.865 4.652 0 40 FJAB COc1ccccc1-c1cc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)on1 12950137 YNXGZYLGGFBKSU-LBPRGKRZSA-N 367.376 4.758 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@H](C)c3ccccc3)s2)cc1 12995394 UDIOHCOYGLDWPK-OAHLLOKOSA-N 366.486 4.830 0 40 FJAB COc1ccc(CN(Cc2ccncc2)Cc2ccccc2Cl)cc1 13570232 TWIAEJXPEZREHO-UHFFFAOYSA-N 352.865 4.946 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OC 14582967 GEOQVSAKAQUYLS-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB Cc1nc2ccccc2nc1-c1nc2ccccc2n1C(=O)c1ccccc1 16265641 KLGLOLDICXJVHX-UHFFFAOYSA-N 364.408 4.643 0 40 FJAB COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCCC[C@@H]3C)c2)cc1 17311174 ZSIAIRUKTYEKAC-HRAATJIYSA-N 352.478 4.616 0 40 FJAB COc1ccccc1-c1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1 19665903 GBLPYIMDUJKRPU-UHFFFAOYSA-N 357.413 4.501 0 40 FJAB COc1ccc(-n2nc(Nc3ccc(Cl)cc3)c3c2CCCC3=O)cc1 20796757 QMQMWQSRCDHGLX-UHFFFAOYSA-N 367.836 4.797 0 40 FJAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 21332849 NGXWPVAMWZBLFP-CYBMUJFWSA-N 372.827 4.944 0 40 FJAB CCCc1nc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2s1 22254940 KFWZYHZBAZPJMY-UHFFFAOYSA-N 350.365 4.918 0 40 FJAB Cc1nc(CSc2nc3ccccc3c(=O)n2C2CCCCC2)cs1 22556012 BVCTXDUYTSNIKU-UHFFFAOYSA-N 371.531 4.959 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2nc(Cl)ccc2Cl)C2CC2)o1 27277708 YKROSUJHYTWABW-MFKMUULPSA-N 365.260 4.910 0 40 FJAB O=C(Nc1cccc2ccccc12)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 31662918 DSRAAJYUVQIRHV-CABCVRRESA-N 366.383 4.851 0 40 FJAB Clc1ccc(Cc2nc(CSc3nc(C4CC4)n[nH]3)cs2)cc1 32913786 ADFUEEGTEGMCSZ-UHFFFAOYSA-N 362.911 4.675 0 40 FJAB CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39751094 ZATPMVKWVOPMGO-UHFFFAOYSA-N 374.937 4.913 0 40 FJAB Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Br 40297217 LDQLIOXBFJXIJQ-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB CSc1ccc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 46046722 IRSYQHLNLNKRKK-UHFFFAOYSA-N 372.877 4.955 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)cc1OC 48276432 ZCRWASVRCLSXAP-IBGZPJMESA-N 364.445 4.696 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 51315495 RJFWTQLIKSOWMP-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB CCN(Cc1nc2ccccc2s1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 60197794 FGWKVWAHBHICAB-HKUYNNGSSA-N 365.546 4.954 0 40 FJAB C[C@H](O)c1ccc(CNC(=O)c2ccc(C3SCCCS3)cc2)cc1 65552514 HTCZEKYYTPXBRP-AWEZNQCLSA-N 373.543 4.539 0 40 FJAB Fc1c(Cl)cccc1NC(=S)Nc1cccc(CN2CCCC2)c1 71760628 HQXCVGMQHHWDRX-UHFFFAOYSA-N 363.889 4.884 0 40 FJAB O=C(NCc1cccc2ccccc12)N1CCC(c2cccs2)CC1 75157089 FPTOVWAUMBSXPW-UHFFFAOYSA-N 350.487 4.991 0 40 FJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Cl)c1 75359585 BXEXWDSGCMEXKG-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB CC(C)Oc1ccc(C(=O)N2CCC(CSc3ccccn3)CC2)cc1 85472297 OOUMKCGDXLVFBC-UHFFFAOYSA-N 370.518 4.513 0 40 FJAB CCc1onc(C)c1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 89419628 VZRIXMPLKJQIQP-OAHLLOKOSA-N 355.438 4.504 0 40 FJAB CCc1cccc2c(C3CCN(C(=O)Nc4ccncc4F)CC3)c[nH]c12 184215986 ZJSQGNDUBWEXFF-UHFFFAOYSA-N 366.440 4.676 0 40 FJAB COc1cc2ccccc2cc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219392481 OLFGOAHQCFVFGA-IBGZPJMESA-N 361.441 4.881 0 40 FJAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 223891249 DCEUEJLLIYBXDY-UHFFFAOYSA-N 370.880 4.537 0 40 FJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NC3CCCC3)o2)c1 224897436 SXUMYPXMYJMALV-UHFFFAOYSA-N 362.429 4.690 0 40 FJAB COc1ccc(CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 644612 HKSAZYGFTRTQTG-UHFFFAOYSA-N 374.436 4.721 0 40 FJAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1C 691538 PRLDUAJUEDLNOQ-UHFFFAOYSA-N 351.475 4.626 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Cl 823313 AAKFRBNGXILXPI-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB O=c1c2c3c(sc2nc(SC(F)F)n1-c1ccccc1)CCCC3 943190 IDDGZERLIXZURK-UHFFFAOYSA-N 364.442 4.641 0 40 FJAB O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(-c2ccccc2)cc1 1034733 VSBLGBAKYWIUQW-UHFFFAOYSA-N 373.437 4.774 0 40 FJAB Nc1ccccc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 1311714 VKALWSYSEMBWLV-UHFFFAOYSA-N 350.443 4.792 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 1509388 JSEZONNBNOIMIK-UHFFFAOYSA-N 350.443 4.882 0 40 FJAB COP(=O)(OC)Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl 1689474 GULABVPLILIUGO-UHFFFAOYSA-N 355.925 4.786 0 40 FJAB O=C(c1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)(F)F 2383470 FAVOOMHIXPIGGS-UHFFFAOYSA-N 350.214 4.715 0 40 FJAB Clc1cc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Cl)n1 2387813 KBAHJELNHFAREZ-UHFFFAOYSA-N 365.241 4.950 0 40 FJAB CSc1nc(N2CCC(C)CC2)c2c3c(sc2n1)COC(C)(C)C3 2426372 NFQCQHMPDBJKKC-UHFFFAOYSA-N 363.552 4.501 0 40 FJAB CCc1ccc(NC(=S)Nc2ccn(Cc3ccc(C)cc3)n2)cc1 2733759 NGXRINXITVBGIX-UHFFFAOYSA-N 350.491 4.611 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)cc1 3309236 PUUSWPIOBOHRDI-MRHLJLSQSA-N 355.409 4.534 0 40 FJAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 4305549 IOWULGSDIAEGNC-HXUWFJFHSA-N 362.498 4.590 0 40 FJAB CCCC[C@@H](CC)CNC(=O)c1csc(Nc2ccc(OC)cc2)n1 4674997 DWKKCFRGZBARSV-CQSZACIVSA-N 361.511 4.842 0 40 FJAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 4949269 ZXLFIXUAIBHNAN-JSTRSEDJSA-N 373.412 4.704 0 40 FJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](CO)[C@H](C(C)C)C[C@H]3CC[C@@H]12 5084827 RIFVPADJXHOIQV-XXWNAYEUSA-N 350.543 4.673 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCCCC1 5450638 FRNPSEGBBXQWFB-GOSISDBHSA-N 362.395 4.871 0 40 FJAB C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccs1 6220526 VUXYNDNQBGKHTD-INIZCTEOSA-N 367.470 4.583 0 40 FJAB CC[C@H]1CCc2sc(C(=O)Nc3cc(OC)c(OC)cc3C)cc2C1 6259029 RYLCACJVTKGEBQ-ZDUSSCGKSA-N 359.491 4.841 0 40 FJAB CCOc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 6747512 ZRFGOUNKQJFPLT-UHFFFAOYSA-N 353.393 4.660 0 40 FJAB Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 7221164 XYQBLLBJKINLAS-NRFANRHFSA-N 360.413 4.516 0 40 FJAB CC(C)CCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7545063 VQOFWKBXQSUSMM-MRXNPFEDSA-N 365.452 4.742 0 40 FJAB Cc1cc(OCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1Cl 8314165 PBJNXTUCGWXUDY-ZDUSSCGKSA-N 374.893 4.857 0 40 FJAB Cc1nc2cc(NC(=O)c3ccccc3C(=O)c3cccs3)ccc2o1 8369387 ZYBUZOYBUXITOY-UHFFFAOYSA-N 362.410 4.681 0 40 FJAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1F 8472295 RFFRHPDNLZKSCQ-UHFFFAOYSA-N 369.411 4.842 0 40 FJAB O=C(COc1ccccc1Cl)N(Cc1ccco1)Cc1cccs1 9204345 IFXFKFMFTHTAHY-UHFFFAOYSA-N 361.850 4.602 0 40 FJAB CC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 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40 FJAB CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 35647398 UIJVTOULCWJIRW-LFIBNONCSA-N 358.850 4.821 0 40 FJAB C[C@H](NCC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 57854121 HXDMCKICWVCTJW-KBPBESRZSA-N 356.853 4.614 0 40 FJAB NC(=O)[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 58369695 ARYMYYLEJVUXFH-FQEVSTJZSA-N 371.465 4.616 0 40 FJAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)cc1 72349629 KOGFQIYWLRGOOL-IBGZPJMESA-N 364.489 4.653 0 40 FJAB Cc1ccoc1-c1nnc(CSc2ccc(Br)cc2)o1 96345948 DDIVHNSFXZRRRN-UHFFFAOYSA-N 351.225 4.693 0 40 FJAB Cc1ccc(-c2nc(COC(=O)C3C[C@@H]4CCC[C@@H](C3)C4=O)cs2)cc1 101852397 QIOQHRJAPSXVNW-HOTGVXAUSA-N 369.486 4.557 0 40 FJAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1 216349923 NTOCJRJIMQJUIR-ZDUSSCGKSA-N 372.317 4.791 0 40 FJAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1cccc(Cl)c1 224491431 IVSXNJIVDMFKBW-UHFFFAOYSA-N 361.869 4.800 0 40 FJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1OCC 225067786 OYJKNPFEDWDIQF-GOSISDBHSA-N 371.477 4.682 0 40 FJAB COc1cccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)c1 226286650 ZIIKLFCCGLIENM-UHFFFAOYSA-N 356.381 4.664 0 40 FJAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 226302186 KGARKNDZQWBOLM-VMPITWQZSA-N 355.615 4.939 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Cl)c2)cc1 226356397 TXISTNLZAPVMDH-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1F 408562886 GJXUFWUVGSGUBD-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB C[C@H](NC(=O)NCC1(C)CCCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 1225094164 KSUGTCUQTQPGOR-PZJWPPBQSA-N 371.569 4.557 0 40 FJAB C[C@@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 1264292443 ITRNULZDMJMLCT-CQSZACIVSA-N 358.363 4.987 0 40 FJAB CCCCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2227589 UMCNJIUBQBUBJQ-ROUUACIJSA-N 366.505 4.548 0 40 FJAB CCn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 2721577 ANDSUTBKGPJHAY-NRFANRHFSA-N 369.468 4.770 0 40 FJAB COc1cccc(CC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1 3344115 PTYLMIYLBZYJBU-UHFFFAOYSA-N 366.457 4.712 0 40 FJAB CC(=O)c1cccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 3429481 YGQKVHGXMWGKGX-UHFFFAOYSA-N 372.783 4.897 0 40 FJAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 3459206 OVEJHPQEXANNDN-UHFFFAOYSA-N 358.869 4.520 0 40 FJAB FC(F)(F)c1cc(-c2cccs2)nc(N2CCc3ccccc3C2)n1 3894540 MPVTUEUUWFVWJA-UHFFFAOYSA-N 361.392 4.787 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)CSC2 4077215 FPTSSBYLYZIAHV-UHFFFAOYSA-N 370.305 4.944 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 4491932 OJXVAOKMXYGESR-GGNLRSJOSA-N 374.267 4.785 0 40 FJAB CSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 4517494 HYGGIHOJGWHSFH-UHFFFAOYSA-N 370.455 4.513 0 40 FJAB CCOC(=O)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 4821720 VBMGIVNENCSOSC-OAQYLSRUSA-N 359.425 4.899 0 40 FJAB CSc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 4861798 RCPNWEZXVZUDFL-CQSZACIVSA-N 366.490 4.696 0 40 FJAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 6038233 NNIGHMIEKQCWDM-UHFFFAOYSA-N 360.413 4.534 0 40 FJAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1F 6335416 SRJFVCXELQWGCK-UHFFFAOYSA-N 373.815 4.580 0 40 FJAB C[C@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccccn1 6821458 UZNZDYCWCZEURI-KRWDZBQOSA-N 355.441 4.581 0 40 FJAB COc1ccc(CC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 7614197 VWPDFUGKWUYOQZ-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB Cc1nnc(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)n1C 7983185 KOUGCUHVCQQMJE-UHFFFAOYSA-N 373.894 4.600 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cs1 8077421 PJLREUAYWZHJLI-UHFFFAOYSA-N 360.385 4.561 0 40 FJAB Cc1nc(-c2cccc(N[C@H](C)C(=O)N(C)Cc3ccccc3)c2)cs1 8429246 YMVREQTZYJULEF-OAHLLOKOSA-N 365.502 4.578 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 8498383 CBORCGNGWQEBFF-CYBMUJFWSA-N 352.261 4.694 0 40 FJAB COc1cccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3C)cs2)c1 8709313 ZSMDIXDTDSUTKP-UHFFFAOYSA-N 372.877 4.962 0 40 FJAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 9134227 YOORGEGTNIEWHP-UHFFFAOYSA-N 370.452 4.905 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nc4ccccc4n3C)c2cc1C 9336104 FLQQOAIKHVBLLU-UHFFFAOYSA-N 350.443 4.589 0 40 FJAB O=C(CCCCc1nc2ccccc2s1)Nc1nc2c(s1)CCCC2 9389872 LEXUNGWJRNBYCI-UHFFFAOYSA-N 371.531 4.983 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1nc2ccccc2s1 9582107 XJHNBOOBGAUBCU-HNNXBMFYSA-N 365.483 4.883 0 40 FJAB COc1ccc(SCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 10219223 HGAZYJIKJDTCRZ-UHFFFAOYSA-N 358.488 4.653 0 40 FJAB O=C(c1ccno1)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1 10254151 FAZVIIMOCYWFFA-UHFFFAOYSA-N 369.833 4.785 0 40 FJAB Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C)cc1 10264386 GASVYRNPSZCZNR-UHFFFAOYSA-N 374.307 4.845 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(C)(C)C 11613730 PBPGYEDZBGNHLV-UHFFFAOYSA-N 367.898 4.755 0 40 FJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1Br 12599170 JDAXNCZPQBVVKB-JTQLQIEISA-N 361.264 4.550 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3cc(C)ccc3F)cs2)cc1 12777114 VMDPBUPWDSTBIA-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB O=C(Cc1cccs1)Nc1cccc(NC(=O)Nc2ccccc2)c1 12980516 UKEDXJPMOCNSHT-UHFFFAOYSA-N 351.431 4.573 0 40 FJAB COc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 12986089 BDNNHWIBBBKCRG-GFCCVEGCSA-N 367.276 4.905 0 40 FJAB Cc1ccc(N2[C@H]3CCCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 13301690 QKBJYJLZSLIWFC-LEWJYISDSA-N 356.897 4.516 0 40 FJAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 15010490 CWPMBRWZGKFHJT-YBEGLDIGSA-N 359.834 4.585 0 40 FJAB CCc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 16161728 KRBOADHPDAJIRC-UHFFFAOYSA-N 369.852 4.914 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1 20044880 XVRCPAGGYBLPKO-QFIPXVFZSA-N 350.506 4.862 0 40 FJAB Clc1ccc(-c2csc3ncnc(NCCN4CCCCC4)c23)cc1 21933203 NHDHSXZDSSADOX-UHFFFAOYSA-N 372.925 4.910 0 40 FJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1 23507591 BEORRRDCRWUPAQ-AWEZNQCLSA-N 370.399 4.772 0 40 FJAB Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1 32117804 YSUWOVZXXCUFBK-UHFFFAOYSA-N 365.380 4.766 0 40 FJAB O=C(NCCC1=CCCCC1)c1cc(-c2ccncc2)nc2ccccc12 37868790 AZLUFFKHJUCEHV-UHFFFAOYSA-N 357.457 4.917 0 40 FJAB FC(F)(F)c1nnc2ccc(Sc3c(Cl)cccc3Cl)nn12 40024817 WRSQQBUTOFUBKH-UHFFFAOYSA-N 365.167 4.601 0 40 FJAB COc1ccc(Cc2nnc(S[C@@H]3CCCc4ccccc43)o2)cc1 40114150 CSJWAQNASPXGPR-GOSISDBHSA-N 352.459 4.839 0 40 FJAB O=C(c1ccc(F)cc1Cl)N(Cc1ccsc1)CC(F)(F)F 44447525 XRWYPCSJESWJOA-UHFFFAOYSA-N 351.752 4.745 0 40 FJAB O=C(Nc1ccccn1)c1cc2sccc2n1Cc1ccccc1F 44920304 ZMZAOBXDKUZDKB-UHFFFAOYSA-N 351.406 4.538 0 40 FJAB FC(F)(F)c1cnc(NCc2cccc(Cn3cccn3)c2)c(Cl)c1 59734284 AUHWNINKQBWIGX-UHFFFAOYSA-N 366.774 4.611 0 40 FJAB Cc1nc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C)C2CC2)cs1 69355138 AILAOUMGKMRRHX-JTQLQIEISA-N 354.397 4.916 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1NC1CCC1 72213928 OAZQVJPVZXPQRG-HXUWFJFHSA-N 365.477 4.910 0 40 FJAB C=Cc1cc(OC)c(OCc2ccc(Br)cc2F)c(OC)c1 72302605 QGGUILJYFMJFDU-UHFFFAOYSA-N 367.214 4.827 0 40 FJAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348611 RUVUHBVDADGNPU-HXUWFJFHSA-N 372.468 4.777 0 40 FJAB C[C@@]1(CCc2ccccc2)CCN(C(=O)c2csc(-c3ccco3)n2)C1 75107450 SFROCFAEDKLQLF-OAQYLSRUSA-N 366.486 4.888 0 40 FJAB CC(=O)Nc1sc2scc(-c3ccccc3)[n+]2c1-c1ccccc1 98086553 CAOCWFZXCVKIFT-UHFFFAOYSA-O 351.476 4.841 0 40 FJAB Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@@H]3CC[C@@H](C2)N3C)c1 100484240 KVPMZTMVCZWXSC-GOTSBHOMSA-N 374.528 4.739 0 40 FJAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]21 101699206 UXMMJWNHLXEBLE-UBBRYJJRSA-N 355.437 4.611 0 40 FJAB COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c1 102727439 KGYNSXVGMBWXQR-SFHVURJKSA-N 368.433 4.850 0 40 FJAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 104750151 VMCJTVNOZLEBNU-QWHCGFSZSA-N 363.288 4.622 0 40 FJAB CO[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1Cl 206856025 JMPCZSBQNLLQCJ-OAHLLOKOSA-N 372.774 4.868 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219578371 LLMIMLPGTIHBMO-UXHICEINSA-N 373.468 4.895 0 40 FJAB O=C(CCc1ccccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1 222897187 OKLXLAOZKULSEB-UHFFFAOYSA-N 361.829 4.569 0 40 FJAB Cc1ccccc1CSCC(=O)NCCOc1ccc2ccccc2c1 223581414 VNFHFPONQDFYRA-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CCCCNC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224298046 KWPNGCDDDZOQEO-UHFFFAOYSA-N 363.457 4.957 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225298993 FPJUWOGFZIAQBT-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB CCc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225611934 OVJXQVCBMBNHGD-UHFFFAOYSA-N 362.539 4.998 0 40 FJAB CC(C)Oc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787179 RATXPPMUSVVMHP-UHFFFAOYSA-N 350.256 4.739 0 40 FJAB Clc1ccccc1N1CC[C@@H](c2nc(-c3cccc4[nH]ccc34)no2)C1 555004899 BPCOBMCJNXSZEU-CYBMUJFWSA-N 364.836 4.865 0 40 FJAB Cc1ccc(C)c2nc3sc(C(=O)N4CCc5ccccc54)c(N)c3cc12 1342971 MZTMHEYZDRKRKZ-UHFFFAOYSA-N 373.481 4.851 0 40 FJAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)ccc12 1471735 GMUGHFBNFYIIFY-UHFFFAOYSA-N 369.446 4.998 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1nc2ccccc2s1)c1ccccc1 2292326 ZIOANWDZUIXODZ-UHFFFAOYSA-N 373.437 4.801 0 40 FJAB CSc1nc(NCCC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2410154 ZKJQWELJGCCRFB-UHFFFAOYSA-N 351.541 4.723 0 40 FJAB CCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1 3273287 PHPBDGVSRBALOL-UHFFFAOYSA-N 357.413 4.573 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(C)cc(C)c2)CSC3)cc1 3912434 QIDZTFDSCJHMEN-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB Clc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccccc4[C@H]3C2)cc1 4176548 NILPBGJILRQCPL-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB O=C(COc1ccc2ccc(=O)oc2c1)c1ccc2c(c1)-c1ccccc1C2 4580014 VLASKSAYVFQNRI-UHFFFAOYSA-N 368.388 4.626 0 40 FJAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccc(Cl)cc1 4901535 GDFYAZGMVDDOAH-HNNXBMFYSA-N 365.882 4.604 0 40 FJAB Cc1cc(NC(=O)c2ccco2)cc(-c2nc3ccccc3s2)c1O 4988478 KTAHBAXUJLLPBI-UHFFFAOYSA-N 350.399 4.823 0 40 FJAB Cc1noc(C)c1CSCC(=O)Nc1ccc(Oc2ccccc2)cc1 6215407 SUMYWGGDSFOXEI-UHFFFAOYSA-N 368.458 4.956 0 40 FJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1F 6351663 AAUOJZDJRLNHJC-UHFFFAOYSA-N 350.345 4.658 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)OCCOc1ccc(Cl)cc1Cl 8036328 AEIVEPFKCWPDJS-UHFFFAOYSA-N 364.228 4.639 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)NCCc1nc2ccccc2s1 8343076 OLDVNPZOLCMKPD-UHFFFAOYSA-N 365.285 4.505 0 40 FJAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCC=C(C)C)cc1O 8740683 LYJPKABFNQYMNO-UHFFFAOYSA-N 350.418 4.803 0 40 FJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccccc1 8854023 UZQWVDCAFZWOEQ-UHFFFAOYSA-N 358.463 4.756 0 40 FJAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 10543916 NVOVMQAYTNMAAL-LBPRGKRZSA-N 358.290 4.650 0 40 FJAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 11565887 IYHAOTBTZDRWHD-HZPDHXFCSA-N 367.555 4.574 0 40 FJAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 12042941 NILPBGJILRQCPL-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB Cc1csc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)n1 12787027 STDDLDRJQAIBTG-UHFFFAOYSA-N 356.834 4.588 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(Cl)c1 12824088 RRIWYHGBAZHQEX-UHFFFAOYSA-N 356.834 4.651 0 40 FJAB CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 13002494 GVCJSQLVIFSCPX-UHFFFAOYSA-N 364.493 4.798 0 40 FJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 13660947 XBAPGWKBCRGROR-UGKGYDQZSA-N 360.413 4.839 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13674190 ZSMUXPMZUWZPFU-SBNBMVPLSA-N 367.489 4.892 0 40 FJAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 16694691 PVDIFMABMWKVGE-GHMZBOCLSA-N 362.260 4.642 0 40 FJAB Cc1cccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 16789472 PENPJZYKXKVIEX-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1 20041174 BUIQPAAJEBQUHP-HXUWFJFHSA-N 369.461 4.585 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1 24541348 UEUVPDSUAREUHE-UHFFFAOYSA-N 365.408 4.590 0 40 FJAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CN2CCCCC2)cc1 25144548 KHOXIGNXJFLODI-ZWKOTPCHSA-N 368.443 4.523 0 40 FJAB CCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 27775950 AZLJNGKPPZFBLC-CYBMUJFWSA-N 372.494 4.556 0 40 FJAB CCOc1ccc(N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 28872568 JLAARXZDNKHCQQ-GFCCVEGCSA-N 352.356 4.543 0 40 FJAB Cc1ccc(-c2noc(CSCC(=O)Nc3cccc(C)c3C)n2)cc1 28907931 DXYIFGIBPDWOAK-UHFFFAOYSA-N 367.474 4.534 0 40 FJAB CC[C@H](C)NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 30819243 GWQGQSONBUMJSY-NSHDSACASA-N 369.461 4.620 0 40 FJAB Cc1ccc(NC(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)cc1 32610189 PGPHHDUNOFMJMK-UHFFFAOYSA-N 368.412 4.628 0 40 FJAB CC[C@@H](CNC(=O)c1cccc(OCc2cscn2)c1)c1ccccc1 33232315 LJLGJYBZDRFSEO-INIZCTEOSA-N 366.486 4.646 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c12 36613985 VZFZMWHUFANCFL-XUJVJEKNSA-N 369.490 4.814 0 40 FJAB CC1=C[C@@]2(Nc3cc(Cl)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40545373 SDANAKQPOHYFAC-FQEVSTJZSA-N 365.820 4.788 0 40 FJAB C[C@@H](N[C@@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cccc(F)c1 57607693 KPNOVXWPTNXBKH-YJYMSZOUSA-N 372.440 4.733 0 40 FJAB CC[C@@H](C)c1ccc(OCCN2C(=O)C[C@H](C)Nc3ccccc32)cc1 82087102 FIFKZVOYAFUXIE-SJORKVTESA-N 352.478 4.816 0 40 FJAB O=C(c1ccsc1)N1CC[C@@H](c2ccn(CC3CC3)n2)c2ccccc21 96087171 UMVBPXVJJIXANN-QGZVFWFLSA-N 363.486 4.537 0 40 FJAB CC(C)Oc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1 100727131 QJZDZHMJRVUOFQ-OALUTQOASA-N 369.480 4.628 0 40 FJAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 100750192 PUXUBPSPQPJCSC-MZKRTTBSSA-N 371.569 4.577 0 40 FJAB CCC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 100753363 GLTAMRONJSYAQQ-IYVPYFHTSA-N 362.256 4.641 0 40 FJAB O=C(N[C@@H]1CCSc2ccccc21)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 102502735 XIDJFIODDDAPIF-GUTXTQJMSA-N 361.938 4.918 0 40 FJAB C[C@H]1CN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@@H](C)O1 216840088 SPFVSBDBQFOZNE-OKILXGFUSA-N 356.853 4.757 0 40 FJAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222934055 XDDHNBXVOMQXEC-NRFANRHFSA-N 369.505 4.857 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222958700 GOSPDIXFCPGEHU-UXHICEINSA-N 368.550 4.771 0 40 FJAB Cc1ccccc1C1(NC(=S)Nc2ccc3c(c2)OCCO3)CCCC1 225857649 HIUFZYRENVWEBS-UHFFFAOYSA-N 368.502 4.522 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1 409087439 YSFMOSTYGNHNDH-UHFFFAOYSA-N 363.413 4.622 0 40 FJAB Fc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1 704029 QPZFOPHCYYAYTC-UHFFFAOYSA-N 352.350 4.512 0 40 FJAB CC(=O)Nc1ccc(Oc2nc(C)nc3sc4c(c23)CCCC4)cc1 948462 VPPVQZKEGXZQTO-UHFFFAOYSA-N 353.447 4.629 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)C)cc2)cc1 1329936 JKRUOOKBTQBEFR-FQEVSTJZSA-N 365.477 4.753 0 40 FJAB COc1ccccc1Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 1894745 GTVRNRZHFCEDCV-UHFFFAOYSA-O 360.462 4.839 0 40 FJAB CCCOC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1 2073554 TXKPZZHSFJEYKC-UHFFFAOYSA-N 359.853 4.868 0 40 FJAB COc1ccc(-c2ccnc3nc(SC/C=C/c4ccccc4)nn23)cc1 3110972 JRIDEMWNKRSWCK-VMPITWQZSA-N 374.469 4.605 0 40 FJAB Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)c1ccccc1 3363353 AEXKEIIISBHUBY-NTCAYCPXSA-N 356.425 4.899 0 40 FJAB COc1cc2c(cc1C(C)=O)[C@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@@H]1CC2 4023566 OVPJRYHYLMZUJV-DHAYUYHGSA-N 370.489 4.686 0 40 FJAB biogenic CC[C@]1(C)C[C@@](CCNCc2ccc(OC)c(OC)c2)(C(C)C)CCO1 4073512 KTTAQLFNXHNCAF-YADHBBJMSA-N 363.542 4.805 0 40 FJAB biogenic CCCCC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4162503 KUDFTEKBEATEQI-UHFFFAOYSA-N 354.381 4.953 0 40 FJAB O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCc2ccccc2C1 4675751 ZQTLNHRBKIRWPO-UHFFFAOYSA-N 366.464 4.888 0 40 FJAB c1csc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)c1 4939239 LQPBQNUTWLLDML-UHFFFAOYSA-N 364.455 4.647 0 40 FJAB Cc1cc(NC(=O)COc2ccccc2)cc(-c2nc3ccccc3o2)c1O 4988485 MJBKJNRAIUDNEI-UHFFFAOYSA-N 374.396 4.526 0 40 FJAB CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1OCCCC 5420718 HPPCTOMGOMKUTJ-UHFFFAOYSA-N 365.514 4.543 0 40 FJAB CCOc1ccc(-c2nc(CN(C)c3ccccc3)cs2)cc1OC 5638028 BVNGHIDFKDXWHS-UHFFFAOYSA-N 354.475 4.854 0 40 FJAB CCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccs1 6659411 PJVBFXNOXOIJOE-SFHVURJKSA-N 367.474 4.730 0 40 FJAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(C)cc1 6743324 PMZRULWTWQIVSU-HXUWFJFHSA-N 361.441 4.673 0 40 FJAB Cc1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2ccccc2)cc1C 6831335 FJGGALFKPZKDBH-IBGZPJMESA-N 365.502 4.822 0 40 FJAB Fc1cccc(CSc2nnc(-c3ccccc3Br)o2)c1 7205262 YPSQPNRTQJTXOF-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 7687959 MHMVCFYMTXBKRV-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c(OC)c1 7939503 PZBCLQXLSPQTOC-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc2c(s1)CCC2 8280303 YBBXQTSKDQIFQW-UHFFFAOYSA-N 365.483 4.865 0 40 FJAB COc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1 8628062 OAYYIKFKPKRFHB-UHFFFAOYSA-N 354.409 4.780 0 40 FJAB Cc1ccc2c(CC(=O)Nc3ccc(NC(=O)C4CC4)cc3)coc2c1C 8734045 GUGZCHKOZKUIIP-UHFFFAOYSA-N 362.429 4.579 0 40 FJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1OC 14257693 KCFDSQQEKUEGOD-ZDUSSCGKSA-N 356.491 4.644 0 40 FJAB Nc1c(Cl)c(Cl)nc(-c2nnc(Nc3ccccc3)s2)c1Cl 20384724 MXIDAEDCXYIPOR-UHFFFAOYSA-N 372.668 4.886 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)c(Cl)c1 20488502 CDHRJANURSWBNM-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1 27663459 GAQOOKDTWNRWTR-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB Cc1ccc([C@H](NC(=O)CNc2ccccc2F)c2cccs2)cc1 30287509 ISZIDANFMNKDAA-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB CC(=O)c1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 33145105 NKRSTKNIKITPBI-UHFFFAOYSA-N 368.433 4.636 0 40 FJAB O=C1C[C@H](c2ccc(Cl)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143201 CYFJDOYYZRHSRN-CQSZACIVSA-N 358.228 4.858 0 40 FJAB CCC[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 40086809 TZBLUDGGPMQLML-OAQYLSRUSA-N 373.456 4.605 0 40 FJAB O=S(=O)(NC1CCCCCCC1)c1ccc(Oc2ccccc2)cc1 44900311 FUJDTTLAYYBXHQ-UHFFFAOYSA-N 359.491 4.870 0 40 FJAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(OC)c1 57313711 NDWVPSDYYNNRPI-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB C[C@H](c1ccccc1Cl)N(CC(=O)Nc1cc(F)ccc1F)C1CC1 59334008 KKAPZRPQVFVHGZ-GFCCVEGCSA-N 364.823 4.782 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)noc4C[C@H]32)C1 105364156 FLJCISDPSGXWGJ-SFJJLGKISA-N 369.505 4.891 0 40 FJAB O=C(CSc1c[nH]c2ccccc12)N1CCS[C@@H](c2ccco2)CC1 219423461 YDBQGWHLGDLRDU-QGZVFWFLSA-N 372.515 4.560 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(SC)cc3)N21 222642413 HVRAVKJTYAOKJW-ZTFGCOKTSA-N 355.532 4.783 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1ccc(OC2CCCC2)cc1 225494075 YYQYPGPIKLDDGO-UHFFFAOYSA-N 365.473 4.904 0 40 FJAB CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)c(C)c1 225683743 NWXDKSMYRGLYKT-MRXNPFEDSA-N 353.418 4.640 0 40 FJAB FC(F)(F)c1cccc(C2(NC(=S)Nc3ccncc3)CCCC2)c1 225874332 NNNXWADIORNQIH-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336688 OWUDICGVEFLDHK-VMPITWQZSA-N 367.228 4.767 0 40 FJAB CCCCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408749141 DTAFJKNNSOHHNS-OKILXGFUSA-N 374.531 4.868 0 40 FJAB Cc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408925803 QJGRFOBTMTUQPQ-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB Clc1ccc(-c2n[nH]c(Sc3ccnc(-c4ccccc4)n3)n2)cc1 511445836 RSOSCDPWAQJWAA-UHFFFAOYSA-N 365.849 4.733 0 40 FJAB C[C@@H](Cc1ccc(Br)cc1)NCc1cnc2ccccc2c1 727468400 NDMJRRVGBCYUPG-AWEZNQCLSA-N 355.279 4.718 0 40 FJAB Cc1c(NC(=O)NC[C@@H]2CCCC(C)(C)C2)cnn1-c1ccc(F)cc1 1219379127 ANENXJABLMJCDA-OAHLLOKOSA-N 358.461 4.658 0 40 FJAB COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1Cl 881976 JKMNZFHMLPHONH-UHFFFAOYSA-N 370.861 4.629 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)OCCOc1ccc(Cl)cc1 1738552 LEUYJOQPIOZPER-UHFFFAOYSA-N 359.731 4.986 0 40 FJAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(Cl)c1Cl)C3 2118793 KOHMAAMLHLLYGM-UHFFFAOYSA-N 362.212 4.765 0 40 FJAB biogenic CCOC(=O)c1cccc(Oc2nc(C)nc3sc4c(c23)CCCC4)c1 2679238 NHCZPMCMDFBNEI-UHFFFAOYSA-N 368.458 4.848 0 40 FJAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc2c(s1)CCCC2 3447753 ZYZXQBSDZQZPQM-UHFFFAOYSA-N 364.850 4.504 0 40 FJAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(C(C)C)cc1 3895779 LZJSLLGUQAGRJW-FQEVSTJZSA-N 358.526 4.860 0 40 FJAB CN(C)CCCN(C(=O)c1ccccc1)c1nc2c(Cl)cccc2s1 4359784 FVEMJIMYSVKAQU-UHFFFAOYSA-N 373.909 4.548 0 40 FJAB CCSc1ccccc1C(=O)Nc1ccc(Br)cc1F 4740447 DRVZIOYPDDCHRM-UHFFFAOYSA-N 354.244 4.953 0 40 FJAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc2ccccc2c1 5579601 LFJMBETWQSUPGK-UHFFFAOYSA-N 359.450 4.892 0 40 FJAB Cc1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 6097965 UOWUYMCCDOAQMJ-UHFFFAOYSA-N 356.520 4.729 0 40 FJAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cc(Br)ccc1F 6566709 XJAZSWPODQMXNT-SDQBBNPISA-N 352.590 4.734 0 40 FJAB O=C(/C=C/c1cccs1)Nc1ccc(-c2cn3ccsc3n2)cc1 6909192 JCPHDXUKQCQOEE-BQYQJAHWSA-N 351.456 4.776 0 40 FJAB O=C(Nc1ccccc1)Nc1nnc(SCCc2ccccc2)s1 7573082 QSDIGABVMNDGMX-UHFFFAOYSA-N 356.476 4.517 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9642259 MLWAUTFVJHOQGC-KRWDZBQOSA-N 372.852 4.870 0 40 FJAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(C(C)C)cc3)CC2)c1 9877016 IUOHRXRYMOAUFD-UHFFFAOYSA-N 367.562 4.946 0 40 FJAB COc1ccc(-c2nn(-c3ccccc3)cc2CSc2ncccn2)cc1 12698830 RCTYFGMVGJUJIB-UHFFFAOYSA-N 374.469 4.630 0 40 FJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 12731633 ONJNRPVKVLVVOB-UHFFFAOYSA-N 359.429 4.902 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2o1 12741364 GPFPIHCOYDYMRY-SNVBAGLBSA-N 363.339 4.594 0 40 FJAB COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c1 12745146 MRLJCZZQLVMDJM-UHFFFAOYSA-N 373.412 4.768 0 40 FJAB CSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 12774451 GFDDJLHVHNTLTA-UHFFFAOYSA-N 352.415 4.506 0 40 FJAB COc1ccc([C@H](CNC(=O)[C@H]2CC=CCC2)c2c[nH]c3ccccc23)cc1 12790934 VEYKTZZAZVVCDU-RXVVDRJESA-N 374.484 4.781 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(Cl)ccc1F 12820674 KAJYZGNSJKKRJM-UHFFFAOYSA-N 374.824 4.790 0 40 FJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 13042058 CENLUIIBSPEPGB-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1sc(Nc2ccccc2)nc1N 13573684 BYTNVHCZNCPTGM-UHFFFAOYSA-N 358.854 4.683 0 40 FJAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13939422 GYBWLWNHSWCUST-QPUJVOFHSA-N 356.702 4.504 0 40 FJAB CC(=O)Nc1cccc(C(=O)N(Cc2cccs2)Cc2cccs2)c1 13985884 UDGFZUHPEQMWHY-UHFFFAOYSA-N 370.499 4.611 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)c(Cl)c2)c1 14400483 JKZRAEMJZVERBS-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccc(OC)cc1 14608109 AOZVSMVTVKSORF-HXUWFJFHSA-N 361.445 4.531 0 40 FJAB CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 14862015 ILYZGWZUCRWGAN-UHFFFAOYSA-N 356.429 4.548 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cc(C)ccc1C 20038246 QTGILPCVWYATEZ-FQEVSTJZSA-N 369.505 4.609 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1cccnc1Sc1ccccc1 22504948 HZWMZKQKMVZQFT-UHFFFAOYSA-N 373.481 4.687 0 40 FJAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3CCOCC3)nc12 23271169 DALCZAVSBLDIQQ-UHFFFAOYSA-N 366.486 4.565 0 40 FJAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccccc1Cl 32609667 QVPLVYIRYFNWKH-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CNc1ccccc1Cl 33908974 YHFQOGBPRRJCAJ-DHDCSXOGSA-N 362.813 4.585 0 40 FJAB CCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528651 DSEDZIUESKRBOW-HXUWFJFHSA-N 367.445 4.559 0 40 FJAB in-vitro O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40146017 LOKOKZWBHIKORP-OAHLLOKOSA-N 360.458 4.608 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 44792143 UJXDMEJEDRRXHG-UHFFFAOYSA-N 372.424 4.911 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1cccc(C)c1 44948558 HUBVYKPWZKACFB-LJQANCHMSA-N 357.519 4.510 0 40 FJAB Cc1[nH]c2c(C(=O)Nc3ccc(Oc4cnccn4)cc3)cccc2c1C 47187435 FUBCMUPWAJPKBP-UHFFFAOYSA-N 358.401 4.619 0 40 FJAB CCCc1noc([C@@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 48373957 FAGXTDVOFQSQAC-GFCCVEGCSA-N 374.872 4.757 0 40 FJAB Fc1ccc(-c2cnc(CSc3nnc(Cc4ccccc4)o3)o2)cc1 57850552 RCFDAQAYQXDQJF-UHFFFAOYSA-N 367.405 4.747 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 57992553 JAIVSYDTKWUVTG-CABCVRRESA-N 353.491 4.543 0 40 FJAB Cc1cccc2c1N[C@H](c1ccc(Oc3ccccc3F)c(F)c1)NC2=O 65888014 ADSXRMNQDIKKSN-FQEVSTJZSA-N 366.367 4.920 0 40 FJAB Cc1cccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c1 67257146 UOKSUWZLXORSRY-UHFFFAOYSA-N 367.449 4.630 0 40 FJAB O=C(c1ccccc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72348627 GLKSJMTUNYGNGT-UHFFFAOYSA-N 374.459 4.831 0 40 FJAB COc1ccccc1-c1ccc(CN2CCCC[C@H]2CCN(C)C)cc1 72391789 FLOODVYEHXMNQL-NRFANRHFSA-N 352.522 4.668 0 40 FJAB O=C(O)c1cccc2c1N[C@@H](c1cc(F)ccc1F)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100195008 CHVWEFCXKUCBPM-VEYQCYSTSA-N 355.384 4.960 0 40 FJAB CN1[C@H]2CC[C@H]1CC(NC(=O)N1c3ccccc3C=Cc3ccccc31)C2 101163827 LXQVNBKASAWZBY-PMACEKPBSA-N 359.473 4.643 0 40 FJAB Clc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3nnnc3N2)cc1 102143723 UHBUDFLPBPIAIF-IBGZPJMESA-N 359.820 4.536 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(C(C)C)cc1 219329619 BXTXFPYHKLETTM-NRFANRHFSA-N 357.469 4.856 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223420795 RKPCPHIVIOHSGB-MRXNPFEDSA-N 371.786 4.833 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1cccc2ccccc12 224298120 XFRPSFCHRINCAK-UHFFFAOYSA-N 363.457 4.813 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225377602 APKNLNGGWQEUEE-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB CCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C 225864809 OQFUSLIIEHWUJH-UHFFFAOYSA-N 368.477 4.638 0 40 FJAB O=C(CSc1ccc(F)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408543075 NMQGPYROANYACC-SJLPKXTDSA-N 369.486 4.920 0 40 FJAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)cc1 409022759 RWPWXOYARYITRV-LICLKQGHSA-N 355.415 4.594 0 40 FJAB O=C(NCc1ccc(C2CC2)nc1)NC(c1ccccc1)c1ccccc1 606440528 RHZAHEWCQFZVAB-UHFFFAOYSA-N 357.457 4.548 0 40 FJAB O=C(NCC(c1ccco1)c1ccco1)Nc1ccccc1C(F)(F)F 675007754 NBUKFWLYSINFBN-UHFFFAOYSA-N 364.323 4.845 0 40 FJAB O=c1[nH]c(Cc2ccc(Cl)cc2)nc2scc(-c3ccccc3)c12 634221 IVBDBKJBWLTWAE-UHFFFAOYSA-N 352.846 4.896 0 40 FJAB COc1ccc2cc(C)c(SCC(=O)Nc3ccccc3Cl)nc2c1 932997 BUYYNUPQVZKKOI-UHFFFAOYSA-N 372.877 4.936 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 938361 KXMCQEYWQNQHCS-OAHLLOKOSA-N 352.503 4.657 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(Cl)c1 948626 YMDSJQUOTROVTR-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 1383358 NJBQVRBAOLADEO-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB COc1ccc(-c2oc3cc(C)ccc3c(=O)c2OCCOC(C)C)cc1 1910144 MXCYCWREJGJJOS-UHFFFAOYSA-N 368.429 4.581 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1ncnc2ccccc12 3244843 WRSQMPUFSWIBNH-CQSZACIVSA-N 351.475 4.874 0 40 FJAB O=C(c1ccccc1F)n1cc(-c2ccc(Cl)nn2)c2ccccc21 4050643 PRNIXGVWMSKHSO-UHFFFAOYSA-N 351.768 4.579 0 40 FJAB O=C(C[C@H](SC1CCCCC1)C(=O)O)c1ccc(Br)cc1 4118243 COGGSKGILQHSPL-HNNXBMFYSA-N 371.296 4.541 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc2ccccc2c1 4674848 VSWOBZUOYMWHOZ-UHFFFAOYSA-N 354.862 4.549 0 40 FJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1nc(C)cs1 4849294 DISJTFPHLKVRKI-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB CC[C@H](C)Nc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 5307289 UXTSNSCYEGERGY-JTQLQIEISA-N 356.495 4.610 0 40 FJAB COc1ccc(-c2csc(/C=C/c3ccc4c(c3)OCO4)n2)cc1OC 5417703 HWNNQAXBZWAVFI-XBXARRHUSA-N 367.426 4.726 0 40 FJAB aggregator Cc1ccc(C)c(-n2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)c1 6016951 YHECMOAYTVWLPY-NSHDSACASA-N 356.516 4.851 0 40 FJAB CCOC(=O)N[C@H](CC(=O)Nc1ccccc1C(C)C)c1ccccc1 6349949 VXDCVFSPEVALSY-LJQANCHMSA-N 354.450 4.626 0 40 FJAB CCOc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c1OC 6560277 NXYRFMSXUVCHDS-SDNWHVSQSA-N 369.442 4.719 0 40 FJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 7929138 XNXQQKAKJREYOO-KRWDZBQOSA-N 365.473 4.559 0 40 FJAB Fc1ccc(-c2cc3ncnc(Nc4ccc5c(c4)OCO5)c3s2)cc1 7974738 RLCVXZBXWKBIHJ-UHFFFAOYSA-N 365.389 4.970 0 40 FJAB COc1ccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccccc3)cs2)cc1 8404845 WMNHQWPXRUYJAS-AWEZNQCLSA-N 352.459 4.652 0 40 FJAB Cc1cn2c(/C=C(\CC(=O)O)c3nc4ccccc4s3)c(C)nc2s1 8746533 SMVZLADJEDRPDF-KPKJPENVSA-N 369.471 4.638 0 40 FJAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9479991 HJMCASWSBLMCHT-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 9762600 FTOMBYNHAZJAAR-IBGZPJMESA-N 368.477 4.600 0 40 FJAB c1coc(CNc2nnc(SCc3nc4ccccc4s3)s2)c1 9836785 CDJODTLEANKPLQ-UHFFFAOYSA-N 360.489 4.645 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1nn(-c2ccc(F)cc2)c2c1CCC2 11425547 KGEPYDUEWPDVIX-UHFFFAOYSA-N 373.790 4.545 0 40 FJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(-n2cccc2)c1 12481458 JRSWOEJGCAXKGT-UHFFFAOYSA-N 358.397 4.798 0 40 FJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(F)c(F)c3)cc2)cs1 12563291 RYGHSHHGTIASNP-LLVKDONJSA-N 373.428 4.836 0 40 FJAB Cc1cnc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)s1 13692910 ZBRDVHWEIAYBJW-UHFFFAOYSA-N 357.504 4.880 0 40 FJAB O=C(CN1CCCCCC1)Nc1nc(-c2cccc3ccccc23)cs1 16740509 WIJSUWAGIVSYFF-UHFFFAOYSA-N 365.502 4.778 0 40 FJAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 18083969 ZQLFGYXVDQGCGB-UHFFFAOYSA-N 367.452 4.877 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)c1 21579049 GRLQEWUYEYEEMS-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3)n2)c1 21800435 ZRHWBZSPTNXACW-HNNXBMFYSA-N 365.433 4.574 0 40 FJAB COc1cc(C(=O)Nc2ccc(C)c3ncccc23)ccc1OCC(C)C 24771553 JGSIREIXWPEKMH-UHFFFAOYSA-N 364.445 4.839 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(F)c(NC(C)=O)c1 30010638 DBNLLKSTZYVQJE-KBPBESRZSA-N 371.456 4.737 0 40 FJAB O=S(=O)(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(Cl)cc1 44781807 CLNIEOIZMGJURK-UHFFFAOYSA-N 356.834 4.775 0 40 FJAB CCCCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OC 62714477 ITJFTAGWQQZXDG-NTUHNPAUSA-N 355.434 4.622 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2nnc3n2CCCC3)c1 71195164 WYPNGMFNGDSGPZ-UHFFFAOYSA-N 367.840 4.579 0 40 FJAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc(Oc2ccccc2)c1 71279166 VANRPJQWKSAKIR-QGZVFWFLSA-N 363.417 4.673 0 40 FJAB C[C@]12CC3CC(C(=O)Nc4nnc(-c5ccncc5)s4)(C1)C[C@](C)(C3)C2 101443820 GUJKICVTNKMXJJ-QEJKFARNSA-N 368.506 4.535 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OC(C)C)cc1 218985141 GTJNVAQOTXHYSJ-LJQANCHMSA-N 353.462 4.814 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 219518748 ZZVCDPWRIONMMS-FXAWDEMLSA-N 367.489 4.798 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC(C)C)c1ccccc1 219562334 YOFNBBUZAFGAJP-OALUTQOASA-N 355.478 4.756 0 40 FJAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 223008916 QDHBMNAQFQFAPR-CQSZACIVSA-N 372.306 4.748 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 223376372 IIQMRTFOMLLQMB-IJBPVIJFSA-N 367.533 4.808 0 40 FJAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cccc(Cl)c1Cl 225427542 RVCJTYLYKKVMNN-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB CCOc1ccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225622268 MAWSAYXJMBDCPH-UHFFFAOYSA-N 366.889 4.797 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(OCC)c1 225625715 IYYAJVVXIRSQBZ-UHFFFAOYSA-N 372.534 4.793 0 40 FJAB C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(F)c1 257325030 WRDYIGCTMFKOFU-FAIHEYFBSA-N 370.420 4.945 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3COc4ccccc4O3)ccc21 408614507 DBUSBKSOQXQYGQ-JOCHJYFZSA-N 372.424 4.593 0 40 FJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Cl 409012349 JGADIZZBUQFCQE-GPILYODUSA-N 353.871 4.962 0 40 FJAB Cc1noc2nc(C(C)C)cc(-c3nc(-c4ccc(C(F)F)nc4)no3)c12 664957035 CGCWITFGSWGRDV-UHFFFAOYSA-N 371.347 4.704 0 40 FJAB CC(C)CC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2ccccc2)c1 1128784808 CDIRLCYYBHSNCR-NRFANRHFSA-N 364.489 4.719 0 40 FJAB Cc1ccccc1N[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 1452646 HWKIRBDNYOVSEH-MRXNPFEDSA-N 371.695 4.842 0 40 FJAB CC(C)=C[C@@H]1[C@@H](COCc2cc3c(cc2Br)OCO3)C1(C)C 1656192 GUGRQAIGZSOIMU-ZIAGYGMSSA-N 367.283 4.933 0 40 FJAB CCCCCSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 2220179 UOVXWEZVLXCLPF-UHFFFAOYSA-N 354.475 4.677 0 40 FJAB COc1cccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c12 2449746 ACYDUNXUWGVVNG-UHFFFAOYSA-N 372.472 4.579 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(NCc3ccccc3)s2)cc1 2651066 LPNZTBRMSFJWGK-CQSZACIVSA-N 369.515 4.822 0 40 FJAB Cc1occc1-c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 4938920 YDNOEMHQCBHVDO-UHFFFAOYSA-N 351.218 4.728 0 40 FJAB Cc1cccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c12 5157899 OIBAYYXPJRLITB-UHFFFAOYSA-N 356.473 4.879 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1 5176680 KMRDIIZZCMFIKH-UHFFFAOYSA-N 360.442 4.568 0 40 FJAB C[C@@H](NC(=O)c1ccccc1Br)C12CC3CC(CC(C3)C1)C2 5443942 RDWXCJZZJYOWFH-XUXNNNHQSA-N 362.311 4.784 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1 5598781 LCNCXFOCTSLMHE-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB Cc1ccc(NC(=O)CCOc2cc(C)ccc2C)c(Br)c1 6287309 KEZAVCCUUSUHKF-UHFFFAOYSA-N 362.267 4.782 0 40 FJAB O=C(c1csc(-c2ccsc2)n1)N(Cc1ccc(F)cc1)C1CC1 8935791 GVOXRHSPFXUOPC-UHFFFAOYSA-N 358.463 4.816 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 9064408 ZWPNPIPMAXUEIE-GOSISDBHSA-N 352.478 4.700 0 40 FJAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1[C@@H](C)c1ccccc1 9315325 IOFOJLIFGORICJ-KRWDZBQOSA-N 357.457 4.947 0 40 FJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccccc1)C2 9938779 NGRUZTPIZJZPFB-HNNXBMFYSA-N 359.454 4.703 0 40 FJAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(Cl)cc3s2)on1 11693198 OURWEIMTIRMOLR-UHFFFAOYSA-N 373.821 4.686 0 40 FJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCc1ccccc1 12627837 IABOUMSLHNGOPO-QGZVFWFLSA-N 373.456 4.753 0 40 FJAB CCOc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12929149 BIGNXFRSBOJZTH-MRXNPFEDSA-N 366.486 4.715 0 40 FJAB CSc1nc(C)c(CCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 12996855 QYEOFXVYPQSKBJ-UHFFFAOYSA-N 370.305 4.693 0 40 FJAB COc1ccc(Nc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 13125548 GPXOBYSWOMBQKA-UHFFFAOYSA-N 373.412 4.763 0 40 FJAB Cc1ccc(CSc2nnc(COc3cccc(C)c3C)n2C)cc1 14126111 VRGURYFONIMQKL-UHFFFAOYSA-N 353.491 4.612 0 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Cc1c(Cl)cccc1NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 28238550 UIKZYIHBTWHSCY-UHFFFAOYSA-N 371.790 4.770 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Sc2ccccc2)c(OC)c1 29067637 MLLPXROOBGOPKU-HNAYVOBHSA-N 371.502 4.548 0 40 FJAB O=C(N[C@H](c1ccccc1)C1CC1)N[C@H](c1ccccc1)c1ccccn1 29726039 SXXIDQYHBTXFNL-FGZHOGPDSA-N 357.457 4.622 0 40 FJAB CCOc1c(Br)cc(CNc2ccccc2C)cc1OC 36815672 NAPWVFQYEJYWGS-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB Cc1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 44843115 DRLDRCJQAKGVGA-UHFFFAOYSA-N 370.496 4.878 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 44904594 RBTGBOOTDIDVPA-LJQANCHMSA-N 368.521 4.860 0 40 FJAB Cc1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c(C)o1 48332044 VZVJDSNPPFZXCS-UHFFFAOYSA-N 364.373 4.874 0 40 FJAB Cc1ccc2c(CN3CCn4cccc4[C@@H]3c3ccccc3)cc(=O)oc2c1 58016537 TZPUPPNCHIBFQW-DEOSSOPVSA-N 370.452 4.508 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4cccc(F)c4)C3)o2)s1 72390105 RSVCXYAUFGBOIP-OAHLLOKOSA-N 357.454 4.625 0 40 FJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccc(F)c(F)c2F)C1 72404385 SCCYARFFACJDJB-LLVKDONJSA-N 363.364 4.534 0 40 FJAB Cc1cccc([C@H](C)NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1C 115493054 BYYRZKBSGQCWNN-HNNXBMFYSA-N 351.475 4.643 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SC(C)C)c1 198263062 FLQYOEFANKJRKS-CQSZACIVSA-N 359.491 4.695 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219057420 IRGWNKOQMZLQHQ-XJKSGUPXSA-N 359.853 4.526 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc2c(c1)CCCC2 223741951 XWNIKLDRVZUAFY-UHFFFAOYSA-N 351.490 4.672 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)s1 224420075 YUYQFQZICXFDLM-ZWKOTPCHSA-N 369.490 4.768 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccccc1Cl 225302544 LDCPBYXRLAVFBN-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB COc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c(OC)c1 225322363 WJYOEWAOBQNETO-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 225774534 NEPSFQGDWLDILI-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB O=C1N[C@@H]2S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3[C@H](c3ccc(Cl)cc3)[C@@H]2S1 245204343 YTFQJULJUPEYPV-ZTBQDLJQSA-N 351.924 4.736 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3C3CCCC3)N21 260788420 ZZKFFDLDWJJNJZ-YSGRDPCXSA-N 366.534 4.978 0 40 FJAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408561213 HDTFNGNIGWQMQZ-XDOYNYLZSA-N 354.450 4.734 0 40 FJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/C=C/c2ccccc2)S1 408800869 PXMHBWBWWGOXID-UHFFFAOYSA-N 355.870 4.968 0 40 FJAB COC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CCCO[C@@H]21 409190212 PXDFPCLIWHYDJD-DKSSEZFCSA-N 357.837 4.761 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)CCC(F)(F)F)CN1c1ccc(F)cc1 2037988540 TWKZJAXTTVXFEP-GOSISDBHSA-N 372.406 4.518 0 40 FJAB O[C@H](c1ccc(Br)cc1)[C@H](c1ccccc1)N1CCCCC1 819929 NQEUTDJMHPUYIZ-RBUKOAKNSA-N 360.295 4.710 0 40 FJAB COc1ccccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C 881263 ZUYSFHKJCRJPCX-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2cccc(F)c2)cs1 1384105 TZYLNQYVQIMMRG-UHFFFAOYSA-N 354.385 4.523 0 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Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)C2CC2)c1 8429775 KCXAKGANUPCZHP-HNNXBMFYSA-N 363.436 4.515 0 40 FJAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 8612013 QXAYJRWMNIBSKQ-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB Fc1ccc(-c2csc3ncnc(NCCCOCC4CC4)c23)cc1 8942319 JDSYOYRWCKGHDN-UHFFFAOYSA-N 357.454 4.726 0 40 FJAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccccn3)cc12 9577400 KSNONLHZITYPCX-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB c1ccc(-n2c(SCc3ccc(-n4cccn4)cc3)nnc2C2CC2)cc1 9870813 SIKAGULWANQQHV-UHFFFAOYSA-N 373.485 4.623 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 10446146 XVQYUGRNHYYVII-UHFFFAOYSA-N 352.217 4.731 0 40 FJAB CCCCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccc1 10962182 DFAPRDFFWGPQFO-UHFFFAOYSA-N 350.466 4.768 0 40 FJAB COc1ccc(/C=C/C(=O)O)cc1OCc1c(Cl)cccc1Cl 11802047 JZHRCXTXHMZLGS-SOFGYWHQSA-N 353.201 4.679 0 40 FJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc(-c2ccccc2)[nH]n1 12108477 GWEAVHIGSXTNSF-OUKQBFOZSA-N 366.424 4.894 0 40 FJAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 12676488 PEGSMEXVVIIRRN-SCLBCKFNSA-N 373.294 4.517 0 40 FJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccc(OC)cc1 14608110 AOZVSMVTVKSORF-FQEVSTJZSA-N 361.445 4.531 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c(OC)cc1Cl 16201355 FMFBYPZDHFFPLA-FXOGGVSJSA-N 361.825 4.726 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(N)c2)c(C(C)(C)C)c1 19736043 INPSCMKGGIYSKO-UHFFFAOYSA-N 354.494 4.881 0 40 FJAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Br)o1 22829011 UMCHDYCKMFDUGL-UHFFFAOYSA-N 363.255 4.675 0 40 FJAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccc(F)cc3)c(C)c12 25183361 IZUHOSAUUCVMFT-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB COc1ccccc1-c1cc(CSc2nc3cc(C)ccc3[nH]2)on1 26243143 YUTLKQZUIRTFNJ-UHFFFAOYSA-N 351.431 4.827 0 40 FJAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Cl 30224586 IQAZQANWCALRQE-UHFFFAOYSA-N 357.837 4.577 0 40 FJAB CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(C)cc1 35671537 OZEYEFNQUVXRMH-UHFFFAOYSA-N 365.458 4.638 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2ccc(F)cc2)n1C 58195979 HLPGZRLFMQLNPD-ZDUSSCGKSA-N 354.450 4.652 0 40 FJAB COc1cc(F)c(NCc2ncc(-c3ccccc3Cl)o2)cc1OC 72912383 QVKJEBRZQWOETA-UHFFFAOYSA-N 362.788 4.763 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(C)cc1 216421007 LEDIXXOUMLKRSV-OAQYLSRUSA-N 371.546 4.819 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 222676219 HZZQAQSUADGSQR-WOJBJXKFSA-N 374.569 4.657 0 40 FJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223081124 MZBHMQJHZRRADT-IRXDYDNUSA-N 357.548 4.757 0 40 FJAB Nc1c(-c2ccccc2F)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225179344 IGJUIDVVVHANRR-UHFFFAOYSA-N 355.722 4.933 0 40 FJAB COC(=O)c1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1Cl 225463295 UQXFHNXTCZUFIP-UHFFFAOYSA-N 355.246 4.589 0 40 FJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225565994 ZSGJSQWCZAXLHS-SFHVURJKSA-N 367.489 4.859 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225748132 PKORTMQLFPXBSG-RDTXWAMCSA-N 361.869 4.692 0 40 FJAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCC[C@@H](C)C1 225890623 PVRZVHRYHOTMFK-OPAMFIHVSA-N 370.493 4.803 0 40 FJAB Cc1cc(NC(=S)NCCCc2ccccc2)ccc1Br 244532567 ZTXHGRFPKDNBDV-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB O=C(COc1ccccc1Cl)Nc1ccc(N2CCCC2)c(Cl)c1 247726302 CWFVUNABECLZKV-UHFFFAOYSA-N 365.260 4.611 0 40 FJAB CNc1cncc([C@@H]2CCCN2Cc2ccccc2-c2ccccc2OC)n1 257295138 QXDIESUTBMCXKD-NRFANRHFSA-N 374.488 4.531 0 40 FJAB Fc1ccc([C@@H]2CC[C@@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 528084084 UNOKYQAWJSQGTQ-ROUUACIJSA-N 364.424 4.532 0 40 FJAB Cc1ccc(OC(=O)c2ccc(Br)cc2Br)cc1 642759 PSLBTBHQXYURAI-UHFFFAOYSA-N 370.040 4.739 0 40 FJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)CCc2ccccc2)cc1 670397 PHJNIQBKBIQTLD-UHFFFAOYSA-N 372.468 4.829 0 40 FJAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2c3ccccc3C[C@@H]2C)cc1 1224635 HQCLHHBOZCUWNJ-JTSKRJEESA-N 373.504 4.637 0 40 FJAB aggregator O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NC1CCCC1 1376439 NHJHVXDPHWLUMH-UHFFFAOYSA-N 369.534 4.828 0 40 FJAB Cc1ccc(-c2coc3c(C)c4oc(=O)c(CC(=O)O)c(C)c4cc23)cc1 2122298 GWVSDPPZUZTSHQ-UHFFFAOYSA-N 362.381 4.759 0 40 FJAB biogenic COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)C(C)C)cc1 3896031 DHKMZPSDGWWCDB-UHFFFAOYSA-N 368.502 4.708 0 40 FJAB COc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(F)cc1)=N2 4129973 WPFWIEUIQQHHOL-UHFFFAOYSA-N 359.404 4.577 0 40 FJAB Cn1c(COc2ccc3ccccc3c2)nnc1SCc1ccccc1 4130195 UFUBXRGJHRKIQG-UHFFFAOYSA-N 361.470 4.840 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCCC2 4592678 KVBQPSFBFKKVAU-UHFFFAOYSA-N 357.475 4.673 0 40 FJAB O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1 5268708 VHJQAYMEVPBDIB-UHFFFAOYSA-N 369.424 4.557 0 40 FJAB Cc1ccccc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 6207919 DKPZKRXGSYKSLR-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl 6302594 KWQFYJRMFNMORT-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB Clc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1 6662287 DPOLWPINGTXGHC-UHFFFAOYSA-N 358.879 4.799 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 8494967 OHMAPDDMEGIQSV-IBGZPJMESA-N 351.490 4.552 0 40 FJAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1 8714785 GERSJHZYZNJXQA-HNNXBMFYSA-N 370.404 4.635 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Br 9226668 UKRBCNVCGUVRNJ-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3Cl)c12 12769779 NXPVXMIXHUYDAX-UHFFFAOYSA-N 362.216 4.968 0 40 FJAB COc1ccc2cc(COC(=O)c3ccc(F)cc3F)c(Cl)nc2c1 12822474 FXZISJRLPJSCOH-UHFFFAOYSA-N 363.747 4.532 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 12977990 ALWCVCVOVTVQRR-CABCVRRESA-N 351.421 4.968 0 40 FJAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)c2n1 15835253 LESCNPVJIHPAND-CQSZACIVSA-N 354.837 4.911 0 40 FJAB Cc1c(Cl)cccc1NC(=O)CCCc1nc(-c2ccccc2)no1 16200311 MIEIKAOVQLDQTN-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB O[C@H](CNCc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 16480520 LHAOGTINIFJFKH-OAQYLSRUSA-N 367.876 4.742 0 40 FJAB CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(OC)cc1 20459468 RNZOJGPHWUCCOU-SFHVURJKSA-N 363.910 4.849 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1 22237642 IRMSVHBAUMMHRC-UHFFFAOYSA-N 371.893 4.803 0 40 FJAB Cc1ccc(N(Cc2ccco2)C(=O)c2cc3c(C)nn(C)c3s2)cc1 22279660 FZXXGICWPRZFFZ-UHFFFAOYSA-N 365.458 4.692 0 40 FJAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2c(C)cccc2C)CC1=O 22364509 MJROUYDFQRXMBQ-YJBOKZPZSA-N 364.489 4.809 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1 23723414 VNCSZWVYWRDHJA-INIZCTEOSA-N 364.832 4.976 0 40 FJAB CCOc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 24977468 MRMXSTXDVAANFH-IBGZPJMESA-N 369.511 4.996 0 40 FJAB Cc1cccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 25086064 MVWJBUIZTBIWLF-UHFFFAOYSA-N 353.491 4.567 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(C2CC2)cs1 25560066 YRBCJGARVGYGKR-QMMMGPOBSA-N 357.262 4.733 0 40 FJAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1C 26804769 GCQUJZQSOPEWJD-STZFKDTASA-N 374.440 4.614 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1C 29716934 UAPPCRITQTUBSU-CYBMUJFWSA-N 352.356 4.641 0 40 FJAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1 40056993 DJBAKBPTWZZYEV-BOLDSZDNSA-N 365.429 4.683 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccco2)CC1 40096300 JUDMNFCKYJWGLD-UHFFFAOYSA-N 369.509 4.876 0 40 FJAB CCOC(=O)c1cnc2cc(OCc3ccccc3)c(OC)cc2c1Cl 40435146 BYFVIGBSSLIMPD-UHFFFAOYSA-N 371.820 4.653 0 40 FJAB CCCOc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45889390 LEGMPNAKGVTSTN-UHFFFAOYSA-N 355.463 4.536 0 40 FJAB O=C(Nc1ccccc1)c1cccc(Cn2cnc3cc(F)c(F)cc32)c1 54183311 OVCCOTLGCNFCRA-UHFFFAOYSA-N 363.367 4.615 0 40 FJAB CN(c1ccccc1)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72214255 HEIGJCINCVMVFZ-GOSISDBHSA-N 353.466 4.922 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)C[C@H](c2ccco2)C1 102660511 ITEVQBJIMWIIPU-SGTLLEGYSA-N 366.808 4.590 0 40 FJAB COc1cccc(CC(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)c1 206879263 ZITNERMWRRKRCU-GOSISDBHSA-N 357.881 4.687 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222959572 WACMGOIEFWKBFF-GJZGRUSLSA-N 357.881 4.864 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)Cc1ccccc1 222967422 XZBRVASNBJXBDQ-JOCHJYFZSA-N 365.517 4.860 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1Cl 223089634 PWQTWEMYOOLATI-CYBMUJFWSA-N 374.868 4.519 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 223512116 WGGMAMZBYWTNQF-XLIONFOSSA-N 355.478 4.655 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1 224190790 ZQQSSUIBPJPGNV-MSOLQXFVSA-N 365.527 4.937 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)[nH]1 224285291 ZFWOJAHZYXAFCD-PMACEKPBSA-N 362.502 4.512 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COC 224684991 DSYNBVNLSBCPAG-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CCOC(=O)c1cc(NC(=S)NC2CCCCCC2)ccc1Cl 225353892 SPBBPJLDVKOLQE-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 225804363 ZSYMANZCZAIEQB-IBGZPJMESA-N 364.533 4.647 0 40 FJAB COC(=O)c1cccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225862663 BVINHWQRVZRWGT-UHFFFAOYSA-N 368.502 4.538 0 40 FJAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1 225890477 JWESGXHDTUTCCA-QVKFZJNVSA-N 356.466 4.556 0 40 FJAB Cc1cccnc1Nc1ccc([C@@H]2CCCCN2Cc2cccnc2)cn1 257222960 DVHMKQGTRVLBBN-FQEVSTJZSA-N 359.477 4.651 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(F)cc1 408561250 HICSUNVQGHWVRB-ATJXCDBQSA-N 372.440 4.818 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cccc2ccccc12 585147896 GPWGRCIBPRGGAK-NRFANRHFSA-N 357.409 4.563 0 40 FJAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 663533 RVHZBDOZNRCEKF-GZTJUZNOSA-N 354.837 4.735 0 40 FJAB COc1ccccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 674065 PLPUUGZBOVIFIA-UHFFFAOYSA-N 360.624 4.673 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)c1ccncc1 823299 XZXDVICTAHLYLH-UHFFFAOYSA-N 367.408 4.739 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c(C)c1 846092 UYYYPDNQNSIKAT-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB COc1ccc(NC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)cc1 923667 VUTPGFFUBIFYOD-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)cc2C)c1 1264354 PYWINPGVYIKUKQ-ZDUSSCGKSA-N 356.491 4.649 0 40 FJAB Cc1ccn2c(NC(C)(C)C)c(-c3cc4ccc(C)c(C)c4[nH]c3=O)nc2c1 1330154 WCSXAIVDWXABSW-UHFFFAOYSA-N 374.488 4.978 0 40 FJAB CCOC(=O)c1cnc2cc(C)cc(C)c2c1Nc1ccc2c(c1)OCO2 1586169 LHYZGKJVZQFXFY-UHFFFAOYSA-N 364.401 4.501 0 40 FJAB O=C(Nc1c(Cl)nsc1-c1ccccc1Cl)N1CCSCC1 2152967 GTMFZDOKBVYBDK-UHFFFAOYSA-N 374.318 4.698 0 40 FJAB Cc1c(C(=O)N2CCc3ccccc32)oc2ccc(Br)cc12 2726361 BLPQZDVFTYTTTJ-UHFFFAOYSA-N 356.219 4.707 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1C 3401239 LPCZGPDBKZFXQB-UHFFFAOYSA-N 367.474 4.827 0 40 FJAB C[C@@H](c1ccco1)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 4057817 JJLRBCCDBYMBAW-BZSISCHUSA-N 350.462 4.985 0 40 FJAB Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4540028 RPOYZAJTTANTHM-OAQYLSRUSA-N 357.409 4.702 0 40 FJAB O=C(Nc1ccc(OCCC2CCCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4550874 ACFQUUKSVVTRLU-VQTJNVASSA-N 373.493 4.865 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1 4703817 XLQFBHKZCSECMB-UHFFFAOYSA-N 372.896 4.965 0 40 FJAB COc1ccccc1-n1cnnc1SCc1ccc(Cl)cc1Cl 4895088 BMNOOXLTPMRASI-UHFFFAOYSA-N 366.273 4.875 0 40 FJAB Cc1c(C(=O)Nc2nonc2-c2ccccc2)oc2ccc(Cl)cc12 5421427 ATCXIFPWOWAZSN-UHFFFAOYSA-N 353.765 4.697 0 40 FJAB O=c1oc2ccccc2cc1C1=NO[C@@H](c2c(Cl)cccc2Cl)C1 5604920 MQFKZXXUUFLZTP-MRXNPFEDSA-N 360.196 4.966 0 40 FJAB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1 5740449 MGLHQWNBCVNNPB-HMAPJEAMSA-N 369.468 4.626 0 40 FJAB COc1cc2sc(NC(=O)c3ccccc3Cl)nc2cc1Cl 6441344 QXUXPLVIVZRGFY-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB Cc1cccc(OCCC(=O)N(c2ccccc2)c2nc(C)cs2)c1 6639625 NLHDXFCXGCKMCQ-UHFFFAOYSA-N 352.459 4.894 0 40 FJAB CCn1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 6948120 GOYMENNOSGUCBJ-QFAYSNGYSA-N 355.507 4.750 0 40 FJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCc1ccccc1 7215041 PYRHDXVIIQWEFR-HXUWFJFHSA-N 359.425 4.519 0 40 FJAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1Cl 7723887 XEPWFKLEFWMJJF-UHFFFAOYSA-N 350.777 4.994 0 40 FJAB C1=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN2[C@H]1c1ccccc1 9087563 PXWIGHMENRLGCI-OAQYLSRUSA-N 351.413 4.993 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)c1C 9250591 JKWULZNFNLULQH-CYBMUJFWSA-N 372.371 4.643 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)CSc3ccccc3)cc2)cs1 12863541 BFAYRWFDPDSBCV-UHFFFAOYSA-N 368.527 4.570 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(F)cc3F)s2)cc1 12903803 BBIJSAXFDWPBFK-UHFFFAOYSA-N 374.412 4.869 0 40 FJAB Cc1cc(Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)nc(C)n1 12944968 QBDXCPSRHCZGAB-UHFFFAOYSA-N 358.397 4.968 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(C)c1 13612727 IVIUBLQVFFJACU-OAHLLOKOSA-N 357.475 4.599 0 40 FJAB CC(C)c1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 15866468 JQOHYGTXODBWNW-QZTJIDSGSA-N 353.857 4.596 0 40 FJAB CCCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)c(Cl)c(C)c1 16903699 ABCSLJFVDUAARI-MRXNPFEDSA-N 372.896 4.699 0 40 FJAB CCOc1ccc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 17073211 MTIBCAHQLPDDRX-UHFFFAOYSA-N 353.466 4.715 0 40 FJAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 18891708 ITMOKNGJIVOOSC-JLTOFOAXSA-N 373.880 4.728 0 40 FJAB COc1ccccc1NC(=O)CCc1sc(C)nc1-c1cccs1 19819681 WYQCCTPLTCLERG-UHFFFAOYSA-N 358.488 4.760 0 40 FJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccccc1)CO3 20403896 VUHKKKZLIJONCS-UHFFFAOYSA-N 369.420 4.812 0 40 FJAB aggregator,biogenic COc1ccc(-n2nc(Nc3ccc(C)cc3)c3c2C[C@H](C)CC3=O)cc1 20796851 WFMFWTJPIUKAQS-HNNXBMFYSA-N 361.445 4.698 0 40 FJAB COc1ccc(N(C(=O)Nc2ccccc2OC)C2=NCCCCC2)cc1 22756812 NJJYFXYPLVISCL-UHFFFAOYSA-N 367.449 4.715 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3ccccc3)no2)c1 27664442 MFBMMSXBVIESNE-UHFFFAOYSA-N 350.418 4.791 0 40 FJAB O=C(c1ccc(Cl)cc1F)N1CCC(CCc2ccc(O)cc2)CC1 32889043 CNRCIYYBBKHFJM-UHFFFAOYSA-N 361.844 4.670 0 40 FJAB O=C(NCCc1cccs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 36333446 IPPUTKDJBXFIRK-UHFFFAOYSA-N 365.376 4.999 0 40 FJAB Cc1noc([C@H](C)Sc2ncnc3scc(-c4ccccc4)c23)n1 37149596 NSIHFLQORLRXIL-JTQLQIEISA-N 354.460 4.903 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38849567 JMOJJXHJVIMOMU-MRXNPFEDSA-N 360.860 4.638 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2Br)c1 44883608 DYCCCJUIECLTII-CQSZACIVSA-N 362.267 4.780 0 40 FJAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44909533 PZNVZMUWDYWCHQ-UHFFFAOYSA-N 364.533 4.734 0 40 FJAB O=C(Cc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 58364704 FLNFZXISDLLDNN-IBGZPJMESA-N 359.853 4.989 0 40 FJAB O=C(N(CCc1ccccc1)Cc1ccccn1)C12CC3CC(CC(C3)C1)C2 62017907 DPXZYVRSZLRUPE-UHFFFAOYSA-N 374.528 4.869 0 40 FJAB C[C@H]1CCCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 65499544 VRIYLULYSXUETK-INIZCTEOSA-N 350.437 4.701 0 40 FJAB CC(=O)Nc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1Cl 67936594 JAHOYYVTZQENNO-UHFFFAOYSA-N 372.783 4.950 0 40 FJAB Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)on2)cc1 71817046 QNDZRIWCMVRZMW-OAQYLSRUSA-N 358.441 4.942 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72229844 YQTKUSALRWBQOF-FQEVSTJZSA-N 351.833 4.982 0 40 FJAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)[nH]n2)cc1 72331571 YSQNGLPCLVRBAF-INIZCTEOSA-N 363.461 4.747 0 40 FJAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccccc1C(F)(F)F 79100245 SETGJJICMCBWOK-LBPRGKRZSA-N 352.356 4.506 0 40 FJAB O=C(CCN1c2ccccc2Sc2ccccc21)NC1CCSCC1 109927012 FAIHWUKXCPFOIQ-UHFFFAOYSA-N 370.543 4.691 0 40 FJAB CCc1nn(Cc2ccccc2)c(N)c1-c1ccc(Br)cc1 199749761 MBERNEFABPIMQC-UHFFFAOYSA-N 356.267 4.506 0 40 FJAB O=C(c1cc(Cl)ccc1Cl)N1CCS[C@H](c2ccco2)CC1 211147464 RFSZRWOJHNEQCO-HNNXBMFYSA-N 356.274 4.907 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 216151402 HBBRPKUDCPEPQA-KRWDZBQOSA-N 361.441 4.765 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 219293955 NZYLJLMUTWSEFR-KRWDZBQOSA-N 373.452 4.886 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1CC 219294465 WXFWBKSQAVNVNN-GOSISDBHSA-N 369.505 4.554 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(C)cc1C 219567234 RXOQHQLUCVSNCE-RTBURBONSA-N 355.478 4.737 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC(C)C)c3)N21 222663494 LIIIYVMWBZEOHR-FFZOFVMBSA-N 367.518 4.848 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1F 222711608 XPZDTNNXOYEGBX-SFHVURJKSA-N 373.493 4.786 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)cc1 222930443 XNVFAXZOAXWLNW-OAQYLSRUSA-N 369.505 4.645 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222977655 CXDZCIWTKIBDOK-OXQOHEQNSA-N 367.489 4.609 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(OC(C)C)c2)c1 224351998 RZXXUAFYWCZFAR-UHFFFAOYSA-N 355.478 4.601 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C)ccc1OC 224575382 HDSJJJFMMHSJKI-HXUWFJFHSA-N 353.462 4.679 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Br)c1 224772756 QZDFCKGREYNFNK-CYBMUJFWSA-N 374.278 4.734 0 40 FJAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(SC)cc1 224983522 FQDYEBREOXRTFD-UHFFFAOYSA-N 355.912 4.586 0 40 FJAB CCC[C@H](C)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225340303 ZRKYYUDOEOONQH-HNNXBMFYSA-N 365.502 4.719 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)CCCC2 225633243 VZRANMGZSYIRNR-HXUWFJFHSA-N 365.473 4.606 0 40 FJAB O=C(Cc1cnccc1C(F)(F)F)N1CCC[C@@H]1c1cccc(Cl)c1 582071071 GWNSFNZYAIKGKN-MRXNPFEDSA-N 368.786 4.660 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4occc4C(C)C)C3)[nH]c2c1 670812189 HWOBIVLCCWLSQW-OAHLLOKOSA-N 351.450 4.608 0 40 FJAB CCOC(=O)c1cc(C(F)(F)F)cc2sc(Br)cc12 725283303 TWQWQJVTTWXQTO-UHFFFAOYSA-N 353.159 4.859 0 40 FJAB Cc1ccc([C@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)[nH]n3)C2(C)C)cc1 1558150291 KPQQFDCRJIFFNN-QGZVFWFLSA-N 363.461 4.695 0 40 FJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2ccccc2c1 628910 YJDWXQLKUFAJJE-UHFFFAOYSA-N 352.393 4.592 0 40 FJAB Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O 639308 ISUMSTQQOBMBSA-UHFFFAOYSA-N 356.805 4.633 0 40 FJAB biogenic CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(N(C)C)cc1 954331 MYXXMMCDGYPHRN-UHFFFAOYSA-N 369.852 4.875 0 40 FJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(OC)cc1 955142 JKLOVRRBPIOYHS-UHFFFAOYSA-N 350.418 4.726 0 40 FJAB C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)c1ccccc1 993099 BGBWFPPECKCYEP-MRXNPFEDSA-N 354.409 4.947 0 40 FJAB Cc1ccc(-c2nnc(-c3cc4c(C(F)(F)F)nn(C)c4s3)o2)cc1 1389058 MSQIRRPORWLJRA-UHFFFAOYSA-N 364.352 4.679 0 40 FJAB O=C(Oc1cc2c(cc1Br)OCO2)c1cccc2ccccc12 1595743 JDRLKRUMTXSVPM-UHFFFAOYSA-N 371.186 4.550 0 40 FJAB CCCCNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2298161 OQTCYHFAXFYTTJ-UHFFFAOYSA-N 370.456 4.593 0 40 FJAB COc1cc(C)ccc1OCC(=O)Nc1ccccc1Cc1ccccc1 2621774 NDRAZTVTSTWDCR-UHFFFAOYSA-N 361.441 4.612 0 40 FJAB CSc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c1 2625018 BZFUPUKBNKXZOZ-IBGZPJMESA-N 370.518 4.500 0 40 FJAB CC[C@H](C(=O)OCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 3237100 ILKJHACKJOUNJI-ZDUSSCGKSA-N 366.244 4.669 0 40 FJAB COc1ccc(-c2nnc(SCc3ccccc3F)n2C(C)C)cc1 3292610 VERHYDYIKPQDPG-UHFFFAOYSA-N 357.454 4.966 0 40 FJAB CCCOc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 3347219 HMZOOWPVVKLBJY-UHFFFAOYSA-N 363.841 4.707 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)N1CCc2ccccc2C1 3414444 MYBWYROVVVHXCO-UHFFFAOYSA-N 368.527 4.754 0 40 FJAB Clc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(Cl)cc32)cc1 4130033 IBTCYKCZQNFEQD-UHFFFAOYSA-N 367.239 4.822 0 40 FJAB CC[C@@H](C(=O)Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1 4224421 LOVBMZRFTTXYQE-QGZVFWFLSA-N 363.486 4.751 0 40 FJAB Cc1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3)C(=O)O2)cc1 4535448 WWDHNGBKXSXAFO-QNGOZBTKSA-N 369.420 4.919 0 40 FJAB CCCc1cc(=O)oc2cc(OCC(=O)c3ccccc3)c(Cl)cc12 4749554 QTISGZJXEORXNA-UHFFFAOYSA-N 356.805 4.661 0 40 FJAB COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1ccc(C)c2C 4912320 LNIIOEDPGKZRRE-CQSZACIVSA-N 360.251 4.549 0 40 FJAB CCc1ccc2oc(C(=O)Nc3nonc3-c3cccs3)c(C)c2c1 6669375 YQEWJGGVTCSDOL-UHFFFAOYSA-N 353.403 4.667 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)o2)cc1C 7192353 BMOKREGIICOUGL-ZDUSSCGKSA-N 356.422 4.856 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1COc1ccccc1 7717511 UTPRQIHHYGBHBI-UHFFFAOYSA-N 370.452 4.719 0 40 FJAB COc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1Cl 7748419 LDTDGGMQRASFSQ-RMKNXTFCSA-N 366.642 4.763 0 40 FJAB S=c1n(CN2CCC(Cc3ccccc3)CC2)nc(C2CC2)n1C1CC1 8061954 BRNMCRDUQLTQQP-UHFFFAOYSA-N 368.550 4.539 0 40 FJAB C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1 8238989 DYONHMOHNWYIKV-SZTZYQKNSA-N 365.429 4.731 0 40 FJAB COc1ccc(-c2nnc([C@H](C)Sc3ccc(NC(C)=O)cc3)o2)cc1 8557850 GZURQZZAGKVGMW-LBPRGKRZSA-N 369.446 4.557 0 40 FJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4cccnc4)nnc3s2)cc1 9049991 QWIOVMQVKQHWFS-CQSZACIVSA-N 363.490 4.598 0 40 FJAB Cc1cccc(C)c1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063272 DDBKNZCJTKLYGH-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1 9355793 JJXJBRCSJXKMRE-IBGZPJMESA-N 364.489 4.881 0 40 FJAB O=C(/C=C/c1cccc(Br)c1)N1CCC[C@H]1c1ccccc1 9895426 JQGLJWHIBGPVOT-DXRVJIQQSA-N 356.263 4.826 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 11052300 NKHBRMJXMSVUAT-ZDUSSCGKSA-N 357.837 4.664 0 40 FJAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(F)c(C(F)(F)F)c1 12422135 WWDFOPYSHZNJHB-UHFFFAOYSA-N 364.298 4.681 0 40 FJAB CSc1ccccc1NC(=O)COc1cccc(Oc2ccccn2)c1 12523176 VDPNRESEKMZHBQ-UHFFFAOYSA-N 366.442 4.613 0 40 FJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(OC(F)F)cc1 12806059 RTKNKQNAXKOLMO-FMIVXFBMSA-N 374.774 4.596 0 40 FJAB Cc1noc([C@@H](C)Sc2nc(-c3cccs3)nc3ccccc23)n1 12914949 IGWMNRWYOZFPOX-SNVBAGLBSA-N 354.460 4.903 0 40 FJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1F 13758775 KDSGEFWXLQJWCW-UEVCKROQSA-N 369.480 4.703 0 40 FJAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 14399193 ITCHJVHLJKXLFB-UHFFFAOYSA-N 374.937 4.852 0 40 FJAB C[C@@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccccc1 16705209 RESQAHGFFKCNMC-GCZGRYASSA-N 352.434 4.840 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 20456073 WEVNBCQOAWIZIV-CQSZACIVSA-N 363.910 4.849 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 20459623 OBTBZEBCMQHIRN-UHFFFAOYSA-N 352.286 4.816 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 20488133 CBVRTABNIJJWRO-QFIPXVFZSA-N 350.506 4.800 0 40 FJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)CCCC(C)C)cc1 21248061 PTRXFYPJUYRDQT-MRXNPFEDSA-N 372.509 4.744 0 40 FJAB COC(=O)c1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 22057876 LAPCBEFVTNSDFY-HXUWFJFHSA-N 369.505 4.820 0 40 FJAB in-vitro CCn1c(=O)n(Cc2csc(-c3ccccc3Cl)n2)c2ccccc21 22187027 OIESUSVSGAKXHL-UHFFFAOYSA-N 369.877 4.648 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)cc1Cl 22192179 WNVYVNDECSTBQE-UHFFFAOYSA-N 374.824 4.790 0 40 FJAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc(F)cc(F)c1 24030899 NLTLCORBFQDSNL-UHFFFAOYSA-N 358.369 4.531 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccnn3C3CCCCC3)c(C)c2c1 24756872 MAMXJVPWOHVBCZ-UHFFFAOYSA-N 353.422 4.704 0 40 FJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC(CCc2ccccc2)CC1 26060567 YXUYEKNMOSMDTN-OUKQBFOZSA-N 360.457 4.712 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CN(CC)CC)cc1 30854694 COBBGLFIIWYUEY-IBGZPJMESA-N 374.912 4.978 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(Cl)c2)cc1 35324436 NWYJRVNIIHWUJC-INIZCTEOSA-N 353.809 4.658 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1nc(-c2ccccn2)cs1 36709328 HDTTWPVRQIGGQC-UHFFFAOYSA-N 360.826 4.511 0 40 FJAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 40485942 HNVOHQUWBYSWMZ-HXUWFJFHSA-N 363.388 4.780 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)cc1OC 44842463 WMGUTQCVRFRLBR-IBGZPJMESA-N 365.429 4.653 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCCc2cc(F)ccc21 46295446 LEKYDWGDTLVQGI-UHFFFAOYSA-N 358.463 4.533 0 40 FJAB C/C(=C\C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 55101252 UCNFGLKFNRTUGL-FYPAKXHLSA-N 362.473 4.815 0 40 FJAB O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccc(Cl)c2)[nH]n1 57412479 AKKNHTWMJVKBSE-UHFFFAOYSA-N 351.837 4.861 0 40 FJAB Cc1cc(C(=O)N2CCCc3cc(F)ccc32)c(C)n1Cc1ccccc1 58457437 RHOIDAMRHDVSRE-UHFFFAOYSA-N 362.448 4.885 0 40 FJAB Cc1cc(-n2c(=S)[nH]c3ccccc3c2=O)ccc1Oc1cccnc1 67256536 NMSRSZIIJPVFPW-UHFFFAOYSA-N 361.426 4.544 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(C(=O)O)cc2)o1 71282775 GYGJBCHDHUGJHB-CQSZACIVSA-N 365.389 4.546 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 71761172 YUWGHIIQYCLVQK-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB O=C(c1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72348633 RSGVEHYCGPJWAM-UHFFFAOYSA-N 374.459 4.831 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348635 UMMDSFUQMNBOKO-HXUWFJFHSA-N 374.459 4.831 0 40 FJAB 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353.462 4.645 0 40 FJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1cc(C)cc(C)c1 224529114 VDCWMCPSNKKYLU-UHFFFAOYSA-N 355.478 4.809 0 40 FJAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1 225595346 XGMFJVBEBMDNFJ-NRFANRHFSA-N 369.461 4.510 0 40 FJAB O=C1[C@H]2[C@@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@@H]2C(=O)N1c1cccc2ccccc12 226395870 OGHYAEQLPCICKY-XRYGDTNYSA-N 367.448 4.769 0 40 FJAB Cn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2ccccc21 408712965 DNLFTVLKNJOCDP-UHFFFAOYSA-N 370.408 4.583 0 40 FJAB COC(=O)c1cc2c(cc1OCC=C(C)C)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 585263261 RYDDVMLXBFRQFX-GZRFBZBPSA-N 374.477 4.845 0 40 FJAB Cn1nc(NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)cc1C1CC1 1524122413 BUGJMNOLVGHJHX-UHFFFAOYSA-N 359.473 4.881 0 40 FJAB Cc1c(OCCCCCC(=O)O)ccc2c(=O)c(-c3ccccc3)coc12 2061000607 UDXJULKREHDBSL-UHFFFAOYSA-N 366.413 4.792 0 40 FJAB Cc1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 682600 MXBLPXQQSIHUGY-UHFFFAOYSA-N 357.841 4.664 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 724347 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CCOc1ccc(C(C)=O)cc1COc1ccc(C)c2c1C(=O)C[C@H]2C 25823328 FJVZNOJHEANFGP-CQSZACIVSA-N 352.430 4.865 0 40 FJAB Cc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1N 27789174 WQQLKGPWVISUFV-UHFFFAOYSA-N 374.469 4.810 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(OC)cc1 30851137 WGQOFTFFZAKVFI-MSOLQXFVSA-N 361.869 4.774 0 40 FJAB CC[C@@H]1CCCCN1c1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 36618600 VWUJPNPQOLLUGN-CQSZACIVSA-N 365.399 4.940 0 40 FJAB O=C(C1CCC1)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 36676137 PUBCNBSIYBGBMG-UHFFFAOYSA-N 357.866 4.678 0 40 FJAB Cc1noc(C(C)C)c1C(=O)OCc1cc(-c2ccc(Cl)cc2)no1 40034691 VYGIRHOBMRPDOX-UHFFFAOYSA-N 360.797 4.772 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccsc1)Cc1ccccn1 44446019 PDKZBECTONYCRW-UHFFFAOYSA-N 372.877 4.648 0 40 FJAB CCc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 44837269 VKBPITAXLOEWRN-UHFFFAOYSA-N 370.250 4.654 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)c1 58078348 RHJOGRAFVJAIGA-UHFFFAOYSA-N 350.462 4.910 0 40 FJAB Cc1cccc2c1OC/C(=C/c1ccccc1OCc1cccnc1)C2=O 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362.445 4.729 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(F)cc(Cl)c1 1666321786 ACIUHVPKFFZJEJ-LLVKDONJSA-N 367.829 4.607 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc5ccc(=O)oc5c4)c23)C1 710421 JHQLCPZKELNFHU-LLVKDONJSA-N 364.426 4.715 0 40 FJAB Cc1cc(OCc2nnc(SCC(=O)c3ccccc3)o2)ccc1Cl 876088 BXOQJWGXUYLWAP-UHFFFAOYSA-N 374.849 4.585 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1cccc(Cl)c1 1377869 RDPRQYOCZSATPX-ROUUACIJSA-N 374.937 4.717 0 40 FJAB CCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 2052174 KJHVXNMXYRVZRL-UHFFFAOYSA-N 367.474 4.806 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cccc(Cl)c1Cl 2413294 OOQREDLKBXODAF-CTDFXDFQSA-N 373.283 4.631 0 40 FJAB Cc1cccc(Oc2ccc(NC(=O)c3cccnc3Cl)cn2)c1C 2555990 RFBZJWCILQKDPK-UHFFFAOYSA-N 353.809 4.791 0 40 FJAB CC(C)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 2694361 MBUFPEQXFYNLOA-QFIPXVFZSA-N 367.533 4.504 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4cccc(F)c4)c(=O)c23)cc1 3017681 LMBIVGSFGZMSRU-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB 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O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(OCCSc2ccccc2)cc1 20451904 LVASPPKCRNMDQU-YRISNDGFSA-N 367.514 4.776 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1F 27582785 UTVWPQLMMUSJDC-FQEVSTJZSA-N 374.887 4.826 0 40 FJAB Cc1cccc(NC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 27918175 GVBSDJZAHGRBEV-UHFFFAOYSA-N 371.238 4.587 0 40 FJAB CCOc1ccc2ccccc2c1CNCc1cnn(Cc2ccccc2)c1 30907738 QNQIGCICSCSSMC-UHFFFAOYSA-N 371.484 4.773 0 40 FJAB CC(C)c1ccc(CN(C(=O)CCc2nc3ccccc3[nH]2)C2CC2)cc1 32854942 KPHKGYQNTFQUCD-UHFFFAOYSA-N 361.489 4.810 0 40 FJAB CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H](C)c1cccc(OC)c1 32937632 OGBWBEWJHMOBKX-INIZCTEOSA-N 374.912 4.987 0 40 FJAB Cc1ccc(-n2c(SCc3ccncc3)nc3ccccc3c2=O)c(C)c1 35312847 YARRBPXPMSDJMV-UHFFFAOYSA-N 373.481 4.690 0 40 FJAB C[C@@H](NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)c1cccc(Cl)c1 44017474 RXJRNNUSMDXLLX-CYBMUJFWSA-N 373.884 4.751 0 40 FJAB CC(C)N(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1cccnc1 58102718 KVBSCVVQNYYQPG-UHFFFAOYSA-N 371.893 4.843 0 40 FJAB Cc1nc(Cc2ccccc2)sc1C(=O)NC(C)(C)c1ccccc1 65402600 FZRJLYNTBASRJV-UHFFFAOYSA-N 350.487 4.707 0 40 FJAB COc1cccc2cc(-c3ncc(-c4ccccc4)s3)/c(=N/O)oc12 67350816 HYURGNYEFWLIRA-UZYVYHOESA-N 350.399 4.522 0 40 FJAB COc1ccc2c(c1)CN(C(=O)c1oc3c(Cl)cccc3c1C)CC2 84068090 GHFOQXUQVXSNDM-UHFFFAOYSA-N 355.821 4.602 0 40 FJAB Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@H]1Cc1ccccc1 84086186 YVGNFUYQBMPRQZ-IBGZPJMESA-N 351.494 4.608 0 40 FJAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)Nc1ccccc1Cl 96099255 HPQSLYGEMFLOIW-UHFFFAOYSA-N 372.900 4.852 0 40 FJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccc(OC)cc21 101061449 BEKJAKIGBPCNAB-VLGSPTGOSA-N 366.895 4.577 0 40 FJAB Cc1c(Cl)cccc1NC(=S)N1CCN(/C=C/c2ccccc2)CC1 215678244 KLMDRKPUAKOPOO-ZHACJKMWSA-N 371.937 4.634 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OCC 219279823 HSLUKVBXBOZRCP-GOSISDBHSA-N 369.505 4.911 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219313749 ULLZKVNETYCNJY-RTBURBONSA-N 367.489 4.879 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)S1 222635443 MGWGYYKHPHCGRZ-CCKFTAQKSA-N 352.507 4.588 0 40 FJAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1cc(C)cc(C)c1C 224273941 HGONDZZPQVYFKP-UHFFFAOYSA-N 355.478 4.728 0 40 FJAB CCCCNC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224309340 WYHPEFRVJYZOHH-UHFFFAOYSA-N 363.457 4.957 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Cl)cc1 224452724 MAFGZFLEUOHLFH-IAGOWNOFSA-N 355.850 4.505 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1C 225758454 LRDLRSQCTMNJKL-IBGZPJMESA-N 367.518 4.560 0 40 FJAB CC(C)c1ccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 225801249 PBJYYNQCJDYICV-UHFFFAOYSA-N 365.517 4.817 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 226271323 JEBXQCCKLFARDW-UHFFFAOYSA-N 368.742 4.597 0 40 FJAB Cc1ccc(-n2c(C)nnc2SCCOc2ccccc2Cl)cc1 409098137 PPYXMHKSGSWYPN-UHFFFAOYSA-N 359.882 4.709 0 40 FJAB Cc1cc(Br)cc2c1CN(C(=O)C[C@H](C)c1ccccc1)CC2 540438705 CRWZXBWMOMYWEE-AWEZNQCLSA-N 372.306 4.836 0 40 FJAB O=C1CCC2(CCC(NCC3CCCCC3)CC2)N1Cc1ccccc1 2055815406 IYNVRVCIFPXTNG-UHFFFAOYSA-N 354.538 4.660 0 40 FJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1 862995 VDQNODBXAPFTJA-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3Cl)sc1CC2 1098896 KUUOJFKUTKZXOJ-UHFFFAOYSA-N 370.861 4.823 0 40 FJAB Cc1ccc(-c2nnc(N(CC(C)C)C(=O)c3ccccc3F)s2)cc1 1356380 BWEIXWFRBTXGFM-UHFFFAOYSA-N 369.465 4.955 0 40 FJAB CCCn1c(SCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2214358 PZFMRLGZFPUFIZ-UHFFFAOYSA-N 354.519 4.800 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CN(C)c3ccccc3)ccc21 2636346 TWRORHRIJNXRQN-UHFFFAOYSA-N 357.457 4.889 0 40 FJAB Cc1ccc(C)c(C(=O)CSc2nnc(NCc3ccccc3)s2)c1 3336617 SZCUKXVGLINVSS-UHFFFAOYSA-N 369.515 4.742 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2)CSC3)cc1 4175928 GIAWGYOBKADFCV-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccs2)cc1C 4854601 PMDICKKVXNERFQ-LJQANCHMSA-N 351.475 4.804 0 40 FJAB Cc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)Cc1ccccc1 5628094 YPKIBHUSKFWYTA-UHFFFAOYSA-N 369.468 4.574 0 40 FJAB O=C(O)c1ccccc1C(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 5775147 JQMIWORAWDIYQN-LJQANCHMSA-N 366.800 4.985 0 40 FJAB c1cncc([C@H]2Nc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN23)c1 6674686 MCHCMWBZZMGXJL-GOTSBHOMSA-N 352.441 4.635 0 40 FJAB CCc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccc(F)cc1)=N2 6844118 ASEBOJOQYUBKSE-UHFFFAOYSA-N 373.431 4.831 0 40 FJAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 7043067 SSWXWEGGRDBPBM-LLVKDONJSA-N 353.249 4.750 0 40 FJAB CC(C)CN(C(=O)COc1cccc(F)c1)c1nc2ccccc2s1 7778440 DRFIHJWYVLXFKZ-UHFFFAOYSA-N 358.438 4.503 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1 7968979 IJGPHTHCURVLHZ-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(C)C 8041534 YSVRHZPNOVNBTN-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccccc2s1 9746584 QHHFCXHBNSWDOC-SFHVURJKSA-N 361.470 4.684 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 10156646 PEQBAZKJOAOTBC-CQSZACIVSA-N 365.383 4.720 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3ccco3)nc21 10507722 YAXGEYNPPDHFHA-UHFFFAOYSA-N 364.380 4.664 0 40 FJAB CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)N1 10814875 NAIJPKJHTAKSJV-UHFFFAOYSA-N 352.478 4.518 0 40 FJAB O=C(c1ccco1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 12119684 OLVJSUJLNKADJQ-QGZVFWFLSA-N 354.381 4.831 0 40 FJAB C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 12544016 VOIORSTZVJYATC-KRWDZBQOSA-N 372.447 4.924 0 40 FJAB C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1 12864472 KCJCKNPSVDLQJT-ZDUSSCGKSA-N 368.383 4.530 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 13710342 YXBZGWILKAXBCG-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB CCc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 14242680 VVGLIMGTENWWKL-UHFFFAOYSA-N 367.474 4.647 0 40 FJAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 20041248 WPCMZKVFAHBBBD-UHFFFAOYSA-N 373.861 4.611 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)Nc1cnn(Cc2ccc(F)cc2)c1 20457973 HDUICGBUZQEIDT-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB c1ccc2c(c1)N[C@H](c1ccncc1)N1CCc3c([nH]c4ccccc34)[C@H]21 26456135 GRDHSQQRRZWWRP-GOTSBHOMSA-N 352.441 4.635 0 40 FJAB O=c1[nH]c2ccccc2cc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 28511576 QQOCNKBFWBDBGX-QFIPXVFZSA-N 364.408 4.517 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 38772581 COSWXDZEFFGLKC-AWEZNQCLSA-N 363.910 4.578 0 40 FJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H]1c1ccsc1 44539246 ZHQOYKMMEZWNEB-GOSISDBHSA-N 350.443 4.913 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)c1ccccn1 48362878 HXSCVVRRJQZZOM-WDEREUQCSA-N 355.290 4.746 0 40 FJAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1OCc1cccc(Cl)c1 49545032 YTRUOSUDHFTRRB-INIZCTEOSA-N 367.836 4.776 0 40 FJAB CCn1c(-c2ccccc2)nn(CN2CCc3sccc3[C@@H]2C)c1=S 52583948 RYANJROUMNGGPB-AWEZNQCLSA-N 370.547 4.739 0 40 FJAB CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)c1C 58180897 DIGCGRYAXMHERK-AWEZNQCLSA-N 373.884 4.826 0 40 FJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccccc1)SCC(O)=N2 95473014 YXYGIYNXKWSDQR-SFHVURJKSA-N 371.506 4.886 0 40 FJAB Cc1ccccc1-c1nc(C)c(CNC(=O)Cc2ccccc2Cl)s1 96024514 ICNYDKJDYJPHDB-UHFFFAOYSA-N 370.905 4.939 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223127576 COKCASAVHFBSPS-FGZHOGPDSA-N 351.490 4.990 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCC2 223208769 JGSXBXBQFGVSBF-DLBZAZTESA-N 359.469 4.973 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225083379 RCZDVDDRIOSYQD-INIZCTEOSA-N 353.245 4.993 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2ccccc2Cl)c(F)c1 225296342 CTSRKCLYLLNNEF-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB O=C(O)c1cccc(NCc2ccccc2OCc2cccc(F)c2)c1 408609246 MNYVKFCNRDURFA-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB Cc1ccc(OCCCC(=O)NCCSCc2ccccc2C)cc1 408702916 KCMRVRQLMRHDBG-UHFFFAOYSA-N 357.519 4.512 0 40 FJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409019089 YAHOTEVDLJAQPW-GYZOOYGHSA-N 354.475 4.929 0 40 FJAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 585089096 AMHOEZAYGGSOPR-IBGZPJMESA-N 355.482 4.552 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccccc2F)CN1c1ccc(F)cc1 1615121272 NWVQNENCGLJZSS-JOCHJYFZSA-N 370.443 4.629 0 40 FJAB COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 715008 PNVUCVZSKCFLAG-UHFFFAOYSA-N 367.474 4.764 0 40 FJAB Cc1c(C(=O)c2cc(Cl)ccc2Cl)cnc2cc3c(cc12)OCO3 721419 DIBIAOCTBCBVDE-UHFFFAOYSA-N 360.196 4.810 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 1006318 JEDWHSRLEZVEMK-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB O=C(Nc1ccc(-c2ccc(Cl)cc2)oc1=O)c1ccc(Cl)cc1 1389091 IOCGWTOKMKNROA-UHFFFAOYSA-N 360.196 4.866 0 40 FJAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 1402134 KHDCRPFVZKWPJJ-UHFFFAOYSA-N 356.425 4.951 0 40 FJAB CCCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C 2342409 SNGPXGMXYXPTNH-UHFFFAOYSA-N 354.837 4.598 0 40 FJAB COc1ccc(N(Cc2ccccc2)C(=O)COc2ccc(C)cc2)cc1 2705482 QWSARNSHLWZKIR-UHFFFAOYSA-N 361.441 4.616 0 40 FJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(Cl)s1 3280331 QMDNUESNWYAAFE-UHFFFAOYSA-N 366.841 4.779 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 3346850 WAJIBYCXTWIHET-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB COc1ccccc1[C@@]1(CCNCc2ccco2)CCO[C@H](C(C)C)C1 4043408 RRBSQXXIPSHAEE-VXKWHMMOSA-N 357.494 4.541 0 40 FJAB biogenic CCN1CCC[C@@H](OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 4863300 ORONCDNHWTZLKC-LJQANCHMSA-N 374.484 4.851 0 40 FJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)c(OC)c1 5446512 RBYCIBNMIAZBSA-LJQANCHMSA-N 364.445 4.518 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5468787 MHIIRUISZBFHSO-GOEBONIOSA-N 370.880 4.845 0 40 FJAB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)[C@@]12CC(C)=C(C)CS2 5603139 YUFJUMYQSCNEET-MRXNPFEDSA-N 354.397 4.640 0 40 FJAB CC(C)(C)SCCNC(=O)CSCc1c(Cl)cccc1Cl 6322818 XHBWOWIHAPBSIQ-UHFFFAOYSA-N 366.379 4.875 0 40 FJAB CCc1c(C)sc2ncn3nc(CC45CC6CC(CC(C6)C4)C5)nc3c12 6489850 QPESJWLBKXVGER-UHFFFAOYSA-N 366.534 4.969 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3)s2)cc1 6830882 MWZWWKSNRLZJPX-CYBMUJFWSA-N 355.488 4.954 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 7929039 MRBLCAQTCTXRHC-QAPCUYQASA-N 365.473 4.775 0 40 FJAB C[C@@H](NC(C)(C)C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7978019 IKHLJWYKFSZSKT-CQSZACIVSA-N 367.518 4.602 0 40 FJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2sccc2C)c1 9204605 SLSPLOZDRJLGQS-UHFFFAOYSA-N 369.486 4.874 0 40 FJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1cccc(Cl)c1 10382990 MHYWJZKBOVXQKB-UHFFFAOYSA-N 372.774 4.741 0 40 FJAB CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccs3)nc12 10879682 DMHCMQYCPMTFCW-AWEZNQCLSA-N 372.515 4.746 0 40 FJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(Cl)c1 11009366 DFVZENHFPFZJDN-UHFFFAOYSA-N 355.781 4.829 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1F 12760546 LVBRZPGPLDIGCG-QWRGUYRKSA-N 356.224 4.777 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C(C)C)n1C1CC1 14199071 RQTCEEVTINMFDY-UHFFFAOYSA-N 354.479 4.501 0 40 FJAB CCCOc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)n2)cc1 14657174 TVFIEVVVENCUPQ-UHFFFAOYSA-N 373.503 4.925 0 40 FJAB Cc1ccccc1CNc1ncc(-c2nccn2C)c(-c2cccs2)n1 19237295 QXAZBABHYZXKGE-UHFFFAOYSA-N 361.474 4.526 0 40 FJAB Fc1cc(CN2CCC(c3cc4ncccc4cn3)CC2)ccc1Cl 19347406 YIYBBOICMOSFIU-UHFFFAOYSA-N 355.844 4.802 0 40 FJAB CC[C@H](C)c1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133219 UHSKYHFGJOZQIE-VIFPVBQESA-N 355.301 4.922 0 40 FJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CSc2ccccc2)cc1 20238832 HDMCOYMUXGVSME-UHFFFAOYSA-N 363.438 4.960 0 40 FJAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)cc1Cl 22776746 AXJOWSISVBDEQB-LLVKDONJSA-N 370.276 4.870 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nccc(C(F)(F)F)n3)c2cc1C 26478922 IXKYTQULZDMWKU-UHFFFAOYSA-N 366.364 4.511 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(Br)c3cccnc23)c1 27930312 ROGRMCGQLMYPPM-UHFFFAOYSA-N 371.234 4.648 0 40 FJAB COC(=O)c1c(COCc2cc(C(C)(C)C)ccc2C)cccc1OC 28540958 LHMVQKIGDGXPRU-UHFFFAOYSA-N 356.462 4.805 0 40 FJAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(Cl)c1Cl 29472083 TVOMZDUOLNNDJT-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 34086998 MGXJQLLOZXQAEP-RPBOFIJWSA-N 356.513 4.835 0 40 FJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1CN1CCCC1 41971456 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360.413 4.759 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1Cl 4664297 YIFKVQREBRTGFQ-JSJNYSNDSA-N 367.876 4.831 0 40 FJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Cl)cc2)cc1 4708503 RSFNOCLOVREANA-UHFFFAOYSA-N 358.894 4.831 0 40 FJAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 4911289 JQPYTTQNOCPKBN-KRWDZBQOSA-N 353.462 4.755 0 40 FJAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 4911293 JQPYTTQNOCPKBN-QGZVFWFLSA-N 353.462 4.755 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cccc(SC)c3)n2)cc1 5222531 LWIUIXGLXYTQOK-UHFFFAOYSA-N 356.472 4.793 0 40 FJAB COc1cccc(OC)c1C(=O)Oc1ccc(OCc2ccccc2)cc1 5361671 ADNBSPXLKOJYSD-UHFFFAOYSA-N 364.397 4.502 0 40 FJAB CCCC(=O)Nc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 6592862 HHLSCSSVWDNIMV-INIZCTEOSA-N 368.477 4.956 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(C2CC2)nc2ccccc12 6605793 BMXMGJPBYGYAFC-UHFFFAOYSA-N 360.413 4.526 0 40 FJAB CCc1nc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2nc1CC 6639488 XFCNXJULEHPHMV-UHFFFAOYSA-N 369.852 4.669 0 40 FJAB 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356.878 4.685 0 40 FJAB CC(C)(C)NC(=O)CC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 14244883 JPLMZEULIOVCLB-UHFFFAOYSA-N 370.415 4.509 0 40 FJAB C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 15155222 BHKYHCIRPKZPTM-NSHDSACASA-N 358.265 4.834 0 40 FJAB CCCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 15832419 VVYIAKRTFDVIGP-UHFFFAOYSA-N 352.459 4.529 0 40 FJAB O=c1c2cc(Cl)ccc2ncn1Cc1sc2ccccc2c1Cl 25033954 JYRVOEVCJQOHPT-UHFFFAOYSA-N 361.253 4.966 0 40 FJAB CCOc1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 27580258 SLKAIHBLPDDXON-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1csc(-c2ccco2)n1 31420363 IVWLQTSEQSKXGB-CYBMUJFWSA-N 370.499 4.614 0 40 FJAB O=C(NCCc1cccs1)C1(c2cccc(C(F)(F)F)c2)CCCC1 40017326 ZFPCRSKFZYCYHR-UHFFFAOYSA-N 367.436 4.938 0 40 FJAB O=C(c1csc(-c2ccsc2)n1)N1CCCc2c(F)cc(F)cc21 40090406 WYQAEKNCRLXKNP-UHFFFAOYSA-N 362.426 4.743 0 40 FJAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2)cc1 40485362 YGCGOFCURWMBKI-JOCHJYFZSA-N 371.436 4.748 0 40 FJAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 44934000 VMPBYCBCKDQCOV-QAPCUYQASA-N 374.887 4.569 0 40 FJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC(C3CC3)C3CC3)c12 48286522 MOPSGYWDPYKPER-UHFFFAOYSA-N 368.525 4.537 0 40 FJAB COCc1cc(C)nc2sc(-c3nc4ccc(Cl)cc4o3)c(N)c12 78546483 HCXLBOCGWQUOED-UHFFFAOYSA-N 359.838 4.795 0 40 FJAB CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F 89949934 SDKVTPULSQNORU-AWEZNQCLSA-N 371.371 4.995 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(C)c(C)cc2O)cc1 100282668 RAXGFDREBMYFND-JOCHJYFZSA-N 371.436 4.902 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5ON=C(C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 118917670 XHKXOQIVQHCQQV-RHCGTSLQSA-N 371.521 4.882 0 40 FJAB CCc1cnc(NC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)s1 174219978 WYUKIVIQLYZYDB-LBPRGKRZSA-N 364.540 4.697 0 40 FJAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCCC2)cc1 216386865 LQSAOFMMEBPTSW-UHFFFAOYSA-N 356.897 4.598 0 40 FJAB CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 216829237 GSIGMAADRAOETD-UHFFFAOYSA-N 352.789 4.634 0 40 FJAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222623058 MUZGMHLPAWLDQG-DQLDELGASA-N 374.513 4.770 0 40 FJAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 224118268 UXXSNDZNGYWACX-WEVVVXLNSA-N 350.245 4.510 0 40 FJAB CC(C)c1ccc(CCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 224380798 LPTREUDJVWFBKV-UHFFFAOYSA-N 365.517 4.607 0 40 FJAB CC[C@H]1N=C(COc2ccccc2)c2cccn2-c2cc3c(cc21)OCCO3 225375158 UAIUUUFQKYSJRC-GOSISDBHSA-N 374.440 4.581 0 40 FJAB CCCOc1ccccc1CCCNC(=O)c1ccc2c(c1)CCCC2 225632351 VGHWSMHRVMVFHE-UHFFFAOYSA-N 351.490 4.717 0 40 FJAB O=C(Sc1nnc(COc2ccccc2)o1)c1cccc2ccccc12 408621768 NTSMBMCGIPSWPA-UHFFFAOYSA-N 362.410 4.734 0 40 FJAB Cc1c(NC(=O)N2CC(C)(C)[C@H]2c2cccnc2)cccc1-c1ncco1 580526870 OONIQYGXMBLJIW-GOSISDBHSA-N 362.433 4.660 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)N[C@H](c1cccs1)C1CCOCC1 1565523753 UTTWJXBRSDEANZ-MEQKGCOVSA-N 361.894 4.699 0 40 FJAB CCc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1 979652 CBWDGUNZFIKOIM-UHFFFAOYSA-N 356.422 4.882 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)NC1C2CC3CC(C2)CC1C3 1256177 LTQUZXOLNBUTSR-UHFFFAOYSA-N 354.277 4.557 0 40 FJAB CCC(C)(C)[C@H]1CCc2sc3ncnc(NCCCN(C)C)c3c2C1 2364909 MDOXNSHZOAMVCC-AWEZNQCLSA-N 360.571 4.596 0 40 FJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2o1 3242833 CHXBWOKJPGFPLE-NTZNESFSSA-N 352.887 4.514 0 40 FJAB CCCCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(C(F)(F)F)C1 4009288 QIDKLQOBTVAGKR-GOSISDBHSA-N 370.415 4.627 0 40 FJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 4314940 QOYZGKAMPURBIR-UHFFFAOYSA-N 373.378 4.602 0 40 FJAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4540035 MGCBIMPPEFILPU-FQEVSTJZSA-N 361.372 4.532 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 6084985 ACXGXDNBXINBMV-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 6654845 FVGPMBNRVAJWTR-NTEUORMPSA-N 369.870 4.582 0 40 FJAB CCc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1 7112875 ANXDXKKHXMHIAZ-UHFFFAOYSA-N 354.460 4.596 0 40 FJAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1C1CC1 7112903 UKBVMURWBVYBJJ-NRFANRHFSA-N 361.445 4.800 0 40 FJAB O=C(NCc1nc2ccccc2n1CCC1CCCCC1)c1ccccc1 7545270 SZNQHYRINBFUSL-UHFFFAOYSA-N 361.489 4.937 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 8040791 YAOLYGPGAZXUGD-KRWDZBQOSA-N 355.931 4.680 0 40 FJAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(Cc3ccccc3)n2)cc1 8042423 ZHSJZMWIPZUZCC-INIZCTEOSA-N 364.514 4.858 0 40 FJAB Cc1ccc(Sc2ccc(NC(=S)NC[C@H]3CCCO3)cc2)c(C)c1 8230894 QHSBDCMDJKTBMZ-QGZVFWFLSA-N 372.559 4.920 0 40 FJAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)(C)C 8367645 NUUOLHGRBGRUAJ-UHFFFAOYSA-N 358.445 4.867 0 40 FJAB O=C(CSc1ncccn1)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 8749265 SHEATNBQKUMSTN-UHFFFAOYSA-N 363.417 4.739 0 40 FJAB O=C(COc1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 8754666 JEKRQZQANIKOFU-OAHLLOKOSA-N 372.877 4.692 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8915679 GINIWOFEYQSVSJ-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccno1 10253886 LUEBQSQQRQXSKD-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB CCOc1cc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1Cl 11613712 ATTHIZIVYGVBJG-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nccn1-c1ccccc1 12741132 QROOHHUNFLSUDS-CQSZACIVSA-N 371.893 4.953 0 40 FJAB Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 12770083 XLRIWYOPMOBVOB-GDNBJRDFSA-N 373.840 4.975 0 40 FJAB CC(=O)N1CCc2cc(-c3nc(COc4ccccc4)sc3C)ccc21 13001845 JQEPNELTQYCVQJ-UHFFFAOYSA-N 364.470 4.607 0 40 FJAB Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 13125504 BEKCYTFOMFBKPU-UHFFFAOYSA-N 368.440 4.532 0 40 FJAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1C(=O)O 13171807 HBENTUWKYYAZLB-UHFFFAOYSA-N 361.825 4.597 0 40 FJAB CC1(C)Cc2cccc(OCC(=O)Nc3cc(Cl)ccc3Cl)c2O1 14427252 CNUOEJQLFPTERY-UHFFFAOYSA-N 366.244 4.724 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ccc(C)cc3C)ccc21 16811310 DHXWDGNHQVUQOZ-HNNXBMFYSA-N 353.487 4.576 0 40 FJAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccco1 17074518 CZZQSGNXPCYQET-UHFFFAOYSA-N 362.385 4.966 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC(C)C)cc2)cc1 20454938 JCJNAXOOUOIVKX-OAQYLSRUSA-N 355.478 5.000 0 40 FJAB CC(C)c1ccc(-c2nnc(NC(=O)CCc3ccsc3)s2)cc1 21908213 XZOAAJJFLYTWRP-UHFFFAOYSA-N 357.504 4.961 0 40 FJAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 23149001 PKQCIGPBVPGPIJ-NSHDSACASA-N 355.381 4.607 0 40 FJAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCCC2)cc1 28292878 GXGPHGHOVBFQBS-JOCHJYFZSA-N 364.533 4.941 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 30945384 SSAYPDYFGVYSCS-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB Fc1ccc([C@@H]2CN(Cn3c(=S)sc4ccccc43)CCO2)cc1 32770211 UMIFACNVHYKDMC-INIZCTEOSA-N 360.479 4.602 0 40 FJAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1nc2ccccc2s1 32914305 TZUPDBHAWLLGNE-UHFFFAOYSA-N 365.483 4.525 0 40 FJAB Cc1ccccc1Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O 38486735 BTHQGSSWOXFLNM-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB Cc1cc(C)cc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004553 GLEAORFAKQPUCC-UHFFFAOYSA-N 360.461 4.535 0 40 FJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccs1 58133943 KYEQHJROZVQFLU-CQSZACIVSA-N 363.280 4.598 0 40 FJAB CCCCCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O 59959024 DNAMDZQQJCGXMP-JXAWBTAJSA-N 353.393 4.739 0 40 FJAB CCN(CC)c1ccc(NC(=S)Nc2ccc(OC)c(F)c2)c(C)c1 71325888 SPWIRQHORZJNCG-UHFFFAOYSA-N 361.486 4.798 0 40 FJAB c1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1 72329961 LDISTHASILKEAL-UHFFFAOYSA-N 350.491 4.550 0 40 FJAB CN(C)C(=O)Sc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 79054727 WUSLRFWYDNBTNG-UHFFFAOYSA-N 362.454 4.774 0 40 FJAB O=C(NNc1ccccc1C(F)(F)F)C1(c2cccc(Cl)c2)CC1 84501749 QJADUCRSTBRSFR-UHFFFAOYSA-N 354.759 4.534 0 40 FJAB Cc1ccc2c(-c3oc4ccccc4c3NC(=O)C3CC3)cc(=O)oc2c1 100653744 VXINWGSDVBHBNK-UHFFFAOYSA-N 359.381 4.863 0 40 FJAB biogenic Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1F 222711673 XPZDTNNXOYEGBX-GOSISDBHSA-N 373.493 4.786 0 40 FJAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222907243 OSXSXLXTMRKKNS-MRXNPFEDSA-N 369.530 4.685 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc2c(c1)CCCC2 222959443 WACMGOIEFWKBFF-LSDHHAIUSA-N 357.881 4.864 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(OCC)cc1 225624742 YMJJGFQCUIAQHP-UHFFFAOYSA-N 372.534 4.793 0 40 FJAB CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679059 CLDKKHCWVIDNJA-SFHVURJKSA-N 370.518 4.983 0 40 FJAB O=C(NCc1ccnc(-c2ccsc2)c1)NCc1cccc2ccccc12 225757700 ZEQXLJNAFSINDG-UHFFFAOYSA-N 373.481 4.963 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1Cl 408588733 YFLZCFPYGHZTGX-UHFFFAOYSA-N 361.850 4.693 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)cc12 500615962 DTVYKXCRXSKUCZ-JTQLQIEISA-N 361.804 4.630 0 40 FJAB Cc1ccc(S[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 625075 UKHYIMPGEHELBH-QFIPXVFZSA-N 361.466 4.726 0 40 FJAB C[C@@H]1C[C@@H](NC(=S)NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1 1735835 VNQRHLZZPSCMGT-ZYHUDNBSSA-N 373.349 4.813 0 40 FJAB CCCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 1801590 UHXBHIBAEKEWTD-VGOFMYFVSA-N 355.409 4.825 0 40 FJAB CCCCCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 1914363 WFNUKBOXSROKHH-RIYZIHGNSA-N 369.461 4.925 0 40 FJAB COc1ccccc1Nc1nc([C@@]2(C)C[C@H](CC(C)C)C(=O)O2)cs1 2134621 MNLGDKIPLXSVRM-ORAYPTAESA-N 360.479 4.720 0 40 FJAB biogenic CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cc(C)c(C)cc1C 2367637 ZBQNKWFMUNUYMY-UHFFFAOYSA-N 368.408 4.661 0 40 FJAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(F)cc1 3140499 ZATOHIIWWAQGPW-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1cccc(Cl)c1 3224683 LEWXQIQMGSMHFV-VAWYXSNFSA-N 371.864 4.660 0 40 FJAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCCC1=CCCCC1 3246861 JXTAAWVCLFQPAW-UHFFFAOYSA-N 363.457 4.517 0 40 FJAB Cc1ccc(C)c(CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326784 LJQIDRKQFKGSNU-UHFFFAOYSA-N 352.488 4.762 0 40 FJAB COc1ccc(-c2cc3cc4c(C)c(C)oc4cc3oc2=O)cc1OC 4540421 ATBYEQVRJIWXMU-UHFFFAOYSA-N 350.370 4.840 0 40 FJAB biogenic OCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1 4614641 NYCWYUMNKFCZFB-JZJYNLBNSA-N 365.285 4.748 0 40 FJAB c1ccc2c(Cc3nc4c5c6c(sc5ncn4n3)CCCCC6)c[nH]c2c1 4772678 DXXJNTPJGKSCOV-UHFFFAOYSA-N 373.485 4.680 0 40 FJAB COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1=O 5441539 IRSAOTWHWKHANX-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 5618231 WEIVAUBXKGGUMU-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 6321253 BNABLXOAQQECNJ-UHFFFAOYSA-N 356.077 4.941 0 40 FJAB O=CN1[C@@H](c2ccccc2)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1 6616174 WXSCYJKDKAYXAQ-ISKFKSNPSA-N 366.420 4.874 0 40 FJAB Cc1cccc(-c2noc(CN(C(=O)c3cc(C)ccc3C)C(C)C)n2)c1 6737022 BSFNRDHJBBNRDI-UHFFFAOYSA-N 363.461 4.713 0 40 FJAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(C(C)(C)C)C3 6940419 GMQJHDACWPLYGR-UHFFFAOYSA-N 363.457 4.643 0 40 FJAB Cc1occc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C 6949364 GAACXBNCVCUPKZ-UHFFFAOYSA-N 354.262 4.983 0 40 FJAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 7670412 WOUMUGQVWKMKTE-UHFFFAOYSA-N 355.488 4.796 0 40 FJAB CCOc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 7781806 NBEOWDPPBHSBLZ-MRXNPFEDSA-N 351.450 4.637 0 40 FJAB Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 7885062 WQWPPPDJWCNTFI-LJQANCHMSA-N 364.426 4.556 0 40 FJAB O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 8187516 FJQBBVUZLACXAI-UHFFFAOYSA-N 362.360 4.651 0 40 FJAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(Oc2ccccc2)c1 8313190 YVPLNKJDNNJRBS-UHFFFAOYSA-N 372.424 4.623 0 40 FJAB Cc1csc2nc(CSCc3ccccc3C(F)(F)F)cc(=O)n12 8757230 NYZTYSCBGPBSFM-UHFFFAOYSA-N 370.421 4.517 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccc(OC)cc3)[nH]c(=O)c12 9118741 NLAZMPVDLHMKJC-GFCCVEGCSA-N 371.506 4.502 0 40 FJAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1Cl 11523983 BGEUXKKOICWGIM-UHFFFAOYSA-N 357.866 4.802 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12586178 UIWBHFJOGZJACD-AWEZNQCLSA-N 351.475 4.866 0 40 FJAB COc1ccc(CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1F 12786914 WQVWTFCFOYWGSE-UHFFFAOYSA-N 351.377 4.808 0 40 FJAB CCOc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 12819502 ADALEZWCSKMBQT-OAQYLSRUSA-N 363.457 4.837 0 40 FJAB c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13768473 VLUQTNBLGGAGNZ-AUSIDOKSSA-N 370.408 4.658 0 40 FJAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 14240737 BQFUDNVVTPCQEM-KRWDZBQOSA-N 374.440 4.544 0 40 FJAB CCCOc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 15832397 CNYCPKXDZKMHLV-UHFFFAOYSA-N 352.459 4.529 0 40 FJAB Fc1ccccc1COc1ccc2ccccc2c1CNC[C@@H]1CCCO1 16525888 ZRYYUAGCPAFJSE-IBGZPJMESA-N 365.448 4.827 0 40 FJAB Cc1occc1-c1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 17172984 FXNCTCVPWFWQNG-UHFFFAOYSA-N 374.853 4.722 0 40 FJAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(N2CCCC2=O)c1 18079541 PHXSYXZLTIPJAF-UHFFFAOYSA-N 356.425 4.733 0 40 FJAB Cc1cc(C)cc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)c1 19974126 POEDTVNGXJPYBT-UHFFFAOYSA-N 355.485 4.987 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CN(CC)CC)cc1 20106590 PKRRHVZJJPRQDI-OAQYLSRUSA-N 368.521 4.941 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@H](C)c1ccccc1)C3 20610178 HAVMCFFBWUJZJA-AWEZNQCLSA-N 363.457 4.674 0 40 FJAB biogenic CC(C)c1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 25323185 CJKRGUJHQWJIHU-UHFFFAOYSA-N 355.847 4.921 0 40 FJAB Fc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1 26442066 JEDVOACEQVJFLR-UHFFFAOYSA-N 361.420 4.857 0 40 FJAB O=C(c1ccccc1Br)N(Cc1ccc2[nH]ccc2c1)C1CC1 32073340 ZNGZDBFRIZOLCG-UHFFFAOYSA-N 369.262 4.735 0 40 FJAB CCOC(=O)/C=C(\c1ccccc1NC(=O)OC(C)(C)C)C(F)(F)F 36471813 KXKYXEXZJZWAHN-ZRDIBKRKSA-N 359.344 4.542 0 40 FJAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 45890973 OJGAHYWFAFPDNZ-UHFFFAOYSA-N 369.534 4.763 0 40 FJAB c1coc(CNc2nnc(SCCCc3nc4ccccc4o3)s2)c1 58016688 YGBYPQUUOPPFSE-UHFFFAOYSA-N 372.475 4.609 0 40 FJAB COc1ccc2cc(-c3cc(C(=O)O)nn3-c3cccc(C)c3)ccc2c1 59472450 LKPAOKLQXXYPHV-UHFFFAOYSA-N 358.397 4.708 0 40 FJAB CC(C)Oc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72211929 QBZUPVNNKXYYLY-IBGZPJMESA-N 354.450 4.733 0 40 FJAB Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)c12 72304651 YYUXANNKVLKDDP-DYVFJYSZSA-N 367.449 4.861 0 40 FJAB COCc1nn2c(-c3cc(Cl)ccc3O)ccnc2c1-c1ccccc1 72404768 QRNGQSYYTPISSA-UHFFFAOYSA-N 365.820 4.569 0 40 FJAB COc1cccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3ncnc3N2)c1 101150364 YVJJMTBCUMALIC-INIZCTEOSA-N 373.243 4.650 0 40 FJAB CSc1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)O2)cc1 104691385 NOWQJNKMFLOVIU-ICFOKQHNSA-N 353.472 4.617 0 40 FJAB O=C(C[C@H]1CCOc2ccccc21)Nc1scnc1-c1ccccc1 117638103 DGOHTILZHGDLNW-OAHLLOKOSA-N 350.443 4.705 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc(Cl)c1 219292290 OFXJUZAAUJUGRB-KDOFPFPSSA-N 373.880 4.834 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1C(C)C 222812669 XKSNHOPJYONEAA-IBGZPJMESA-N 367.489 4.916 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222959819 AEZAMGZCZLTFBY-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223147164 GNEMIXLDDQNNNW-LBPRGKRZSA-N 364.272 4.738 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 223498389 OFHDXOICHXSZBE-CQSZACIVSA-N 367.474 4.735 0 40 FJAB Cc1ccc(CNC(=S)Nc2ccc(Nc3ccccc3C)nc2)cc1 223945103 XQWYJLZUABBRTB-UHFFFAOYSA-N 362.502 4.929 0 40 FJAB C[C@H](NC(=S)Nc1ncc(Cl)cc1Br)c1ccccc1 223954240 ZZULBONFCHPWPJ-VIFPVBQESA-N 370.703 4.545 0 40 FJAB COCc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 224337806 JZPNBWBNKJUCTM-UHFFFAOYSA-N 372.468 4.648 0 40 FJAB S=C(Nc1ccc2c(c1)OCO2)NC1(c2ccccc2Cl)CCCC1 225851984 PCZLNJWRAWGJRJ-UHFFFAOYSA-N 374.893 4.825 0 40 FJAB Cc1cc(Oc2ccccc2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225963154 YQHCZVWRANKCKX-HNNXBMFYSA-N 364.474 4.625 0 40 FJAB Fc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226343058 LUJJDFHQCNJMOW-UHFFFAOYSA-N 370.019 4.894 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1Cc3ccccc3[C@@H]21 408995016 KQUAONGFGFTUGA-PCCBWWKXSA-N 359.400 4.995 0 40 FJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2c3ccccc3C[C@@H]21 409334863 IYWAWLBGIFSDDP-VJBMBRPKSA-N 371.436 4.864 0 40 FJAB C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 514437241 SJHGOZGKCLZNHH-PXNSSMCTSA-N 361.489 4.884 0 40 FJAB CC[C@H](C)n1c(C(F)(F)F)nc2cc(NCc3cnc(C)o3)ccc21 628298745 PMMFYJPLBCXJQF-JTQLQIEISA-N 352.360 4.935 0 40 FJAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc4sc(C)nc4c3)sc2n1 917501 WACYTUWZEFHQCP-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]c1=S 945460 KVIVJKVSQIUYMI-UHFFFAOYSA-N 361.426 4.526 0 40 FJAB COc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 1197592 IYPAJHOXNASRQC-UHFFFAOYSA-N 360.826 4.511 0 40 FJAB Fc1ccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)cc1 1327162 FZGWYJUJZPIFEE-UHFFFAOYSA-N 355.438 4.543 0 40 FJAB CC(C)(C)NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 1376448 OXKFGJDMLFAXES-UHFFFAOYSA-N 357.523 4.684 0 40 FJAB CC(=O)O[C@@H](c1ccccc1)c1ccccc1CN(C(C)=O)c1ccccc1 1720009 UWDADXOYVBNQHH-DEOSSOPVSA-N 373.452 4.892 0 40 FJAB O=C1c2ccccc2-c2nn(C(=O)c3ccccc3Cl)c3cccc1c23 2054325 HBRQZFCYQVWNTD-UHFFFAOYSA-N 358.784 4.590 0 40 FJAB Cc1ccc([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c(O)c1C 2292967 FOQBHBHJFKAQTJ-JOCHJYFZSA-N 359.469 4.847 0 40 FJAB CCCC(CCC)C(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 2417195 KPCKECVPRQPAKF-KRWDZBQOSA-N 365.477 4.544 0 40 FJAB Cc1nc2sc3c(c2c2nc(-c4ccc(F)cc4)nn12)[C@H](C)CCC3 2437318 PSJDDPHGBGHAII-SNVBAGLBSA-N 352.438 4.893 0 40 FJAB COc1ccc(N[C@H](c2c[nH]c3ccccc23)P2(=O)OCCCO2)cc1 4455900 BTVJQTYUWXUFNX-IBGZPJMESA-N 372.361 4.917 0 40 FJAB CCCSc1nnc(NC(=O)c2oc3cc(C)cc(C)c3c2C)s1 4671414 MFHPFIWPQNYCSR-UHFFFAOYSA-N 361.492 4.964 0 40 FJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(C)cc2)cc1 4725099 QAGBVCYGZHHSNQ-QHCPKHFHSA-N 370.452 4.995 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccccc1Cl 5002049 GJESZYDYWDBDSQ-AWEZNQCLSA-N 354.837 4.746 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 5779176 ZEPYEOFVGYAMCW-NSHDSACASA-N 354.233 4.716 0 40 FJAB COc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 5879946 LJKCLHPOHDGUFQ-NYYWCZLTSA-N 368.849 4.685 0 40 FJAB CCc1ccc(Nc2nnc(SCC(=O)c3ccc(F)cc3)s2)cc1 6319647 NWSSHSGNOHBCDZ-UHFFFAOYSA-N 373.478 4.958 0 40 FJAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OC 6439539 GBKCHIBKCQXLDE-ZMZPIMSZSA-N 372.490 4.709 0 40 FJAB CCCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(C)cc32)cc1 6500721 AQVNHOBWCXMDJJ-UHFFFAOYSA-N 370.456 4.613 0 40 FJAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2F)cc1Cl 6747667 TYULCKCJGFMDAZ-UHFFFAOYSA-N 373.811 4.923 0 40 FJAB Cc1ccc(C)c(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 6790575 SWEMGIVKIXYZKL-QFIPXVFZSA-N 372.468 4.803 0 40 FJAB Cc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCCC2)cc1 6923596 QRUMXEGIJTVYDR-GOSISDBHSA-N 371.506 4.567 0 40 FJAB COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1C 6943156 VLWVTNBNZAXJAN-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB O=C(c1cc(-c2csc(-c3ccc(Cl)cc3)n2)c[nH]1)N1CCCC1 9478331 MQKVOVHQKGOHSW-UHFFFAOYSA-N 357.866 4.695 0 40 FJAB COc1ccc(C(=O)N2c3c(OC)cccc3C(C)=CC2(C)C)cc1OC 10157733 ILAYHGMXADBURO-UHFFFAOYSA-N 367.445 4.555 0 40 FJAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1 12087794 ZAJPOPIWXNBGOK-QGZVFWFLSA-N 373.500 4.635 0 40 FJAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1F 12749262 CXUJCEAHSZSHEI-UHFFFAOYSA-N 363.314 4.591 0 40 FJAB COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1Cl 12902083 CWPFYXFRRTVIIR-UHFFFAOYSA-N 350.852 4.786 0 40 FJAB CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(C)cc3)no2)cc1 12913033 ZFTHCMLUWHOQIM-FQEVSTJZSA-N 363.461 4.781 0 40 FJAB Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495027 WWJZYMAIFXLFDA-OAHLLOKOSA-N 363.461 4.834 0 40 FJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 13680643 AHBCCWPMIYZAMQ-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]ccc4c3)s2)c1 13733744 OQAKKSUWZUNQOD-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2OCC)cc1 13796683 XITQGOKLEGJYND-UHFFFAOYSA-N 372.490 4.851 0 40 FJAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1cccc2ccccc12 14131999 KGBQBQRTICXIJW-XDHOZWIPSA-N 361.422 4.782 0 40 FJAB CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OCC(C)C)cc1 14838929 CKZUQDLAINWJAA-UHFFFAOYSA-N 354.450 4.712 0 40 FJAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1OCC 15997316 KQJSJXUVTOHEKY-UHFFFAOYSA-N 351.805 4.919 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 20450328 ARPYKCQEVDERKO-QGZVFWFLSA-N 352.478 4.567 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2Cl)cc1 20485603 GSFJAZLTZSBAEP-UHFFFAOYSA-N 361.825 4.558 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(SCc3nnsc3Cl)o2)cc1 20986638 FLFJAXUFVDOBKV-UHFFFAOYSA-N 366.899 4.831 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 22511705 LUSDGSLZMVRKOT-GFCCVEGCSA-N 365.882 4.785 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c1 22534041 SCSHZJDEUXASAP-KRWDZBQOSA-N 359.897 4.782 0 40 FJAB CCN(C(=O)c1ccccc1C(F)(F)F)c1nc2ccccc2s1 23042069 SRGYEBYRAXUIJT-UHFFFAOYSA-N 350.365 4.982 0 40 FJAB Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc12 23108268 KBZSOCUUZRJYKA-MRXNPFEDSA-N 358.507 4.615 0 40 FJAB COCc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 25334947 KDQJIPDXYUXUBW-UHFFFAOYSA-N 369.424 4.696 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)CCCC(=O)c2cccs2)cc1 25765921 DFFHBYUPLRRFIM-UHFFFAOYSA-N 372.490 4.724 0 40 FJAB CCOC(=O)c1c(C)oc2ccc(Oc3nccc(C(F)(F)F)n3)cc12 26706256 IERPSAVJYKEQDE-UHFFFAOYSA-N 366.295 4.519 0 40 FJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C)c1 41076930 MZETXYMPGSHNDU-UHFFFAOYSA-N 363.461 4.507 0 40 FJAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(OC(C)C)cc2)c1 44904995 RBDVPSHNIBDLID-UHFFFAOYSA-N 357.519 4.640 0 40 FJAB Cn1c([C@H]2CCN(Cc3ccc(-c4ccccn4)cc3)C2)nc2ccccc21 49171219 DNINZFNHGMOOCT-FQEVSTJZSA-N 368.484 4.625 0 40 FJAB biogenic,in-vitro Cc1cc(C)n(-c2nc3c([C@H](O)c4ccccc4)cc(Cl)cc3s2)n1 57327690 KMKVTSXRCBSYBW-GOSISDBHSA-N 369.877 4.834 0 40 FJAB Cc1cc(C)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2C)c(C)c1 58426420 JUJVCIXVCIMPDZ-UHFFFAOYSA-N 366.436 4.687 0 40 FJAB Cc1cc2ncn(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)c2cc1C 96305792 XKAPSOWVRACTGT-UHFFFAOYSA-N 369.273 4.505 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C)cc1 219594298 YXTLVHDNOVKACK-NRFANRHFSA-N 369.505 4.690 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224255871 BIHAVOOEOLHTRB-VQTJNVASSA-N 363.486 4.777 0 40 FJAB CC1CCN(CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1 225597294 PHXCWECPMMOLIV-UHFFFAOYSA-N 358.526 4.706 0 40 FJAB Cc1cccc(CSCCCNC(=S)Nc2ccc(F)c(F)c2)c1 225604082 FYDAWKPQXMMKGK-UHFFFAOYSA-N 366.502 4.883 0 40 FJAB CCOc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 225673027 JXXLMSFUGFLXMN-KRWDZBQOSA-N 370.518 4.983 0 40 FJAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cs1 226092921 JKAQDJGTPIZIJY-UHFFFAOYSA-N 373.865 4.766 0 40 FJAB Cc1nc(NC(=O)C2CCC(C(F)(F)F)CC2)sc1C(F)(F)F 579431278 LKMRGXLOZOGMJZ-UHFFFAOYSA-N 360.323 4.778 0 40 FJAB COC(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c(F)c1 1126507115 MGKWMVBAMMRCOM-UHFFFAOYSA-N 363.344 4.764 0 40 FJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2 792517 JNIMZQLRTDSHFX-UHFFFAOYSA-N 356.834 4.629 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 848354 QXPDVSUGUINGQB-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 1861587 AMRRTAXTTVRMQV-UHFFFAOYSA-N 373.412 4.931 0 40 FJAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 2443859 AWJMZQHCJKMAJW-UHFFFAOYSA-N 357.866 4.593 0 40 FJAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 3072849 UYDONDRWLVYWGG-MRXNPFEDSA-N 370.880 4.674 0 40 FJAB Cc1ccccc1NC(=O)C[C@@H]1C[C@H](C(=O)Nc2ccccc2C)C1(C)C 3172179 FGSSIGKBEJZSTR-ZWKOTPCHSA-N 364.489 4.933 0 40 FJAB O=C(CSc1nc2ccccc2s1)N[C@H]1CCCc2ccccc21 3273486 XHLGHJKZQFLZGK-HNNXBMFYSA-N 354.500 4.582 0 40 FJAB O=C1N[C@@H](c2ccc(-c3ccccc3F)o2)Nc2sc3c(c21)CCCC3 4523647 HIKMZXNBRYNUCO-GOSISDBHSA-N 368.433 4.880 0 40 FJAB O=C(O)c1ccc(COc2ccc3cc(-c4ccccc4)c(=O)oc3c2)cc1 4538798 HTAGULLCKSXMGX-UHFFFAOYSA-N 372.376 4.737 0 40 FJAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)CCCc2ccccc2)cc1 4689744 RIKKOULEKCWUMA-FQEVSTJZSA-N 367.489 4.639 0 40 FJAB CC(=O)Nc1ccc(Nc2ncnc3sc4c(c23)C[C@@H](C)CC4)cc1 5323721 OBARXRHJUPWEEM-NSHDSACASA-N 352.463 4.518 0 40 FJAB CSc1cccc(NC(=O)CCCC(=O)Nc2cccc(SC)c2)c1 5362246 UHXWDFWXEGDKMR-UHFFFAOYSA-N 374.531 4.878 0 40 FJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 5602551 BQALVUYDNZATJV-UHFFFAOYSA-N 374.506 4.693 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2cccc(C)c2)cc1 6870323 HITCXLSRAALFLH-UHFFFAOYSA-N 350.462 4.665 0 40 FJAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc2ccccc2c1 6930055 DNNJQTKGHOFWMJ-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB COc1cccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)c1 7401302 LYFQOMMUJLZIPE-FQEVSTJZSA-N 369.367 4.732 0 40 FJAB CC(C)n1ncc2c(C(=O)N(C)Cc3ccco3)cc(-c3ccccc3)nc21 8073050 GWXDTTJALCEMFI-UHFFFAOYSA-N 374.444 4.544 0 40 FJAB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc3nccnc23)cc1 9074245 HVXXHRYEYKJUGI-UHFFFAOYSA-N 362.824 4.869 0 40 FJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3cccs3)C2)cc1 9576558 PCYATCVHPPHTHH-MRXNPFEDSA-N 355.488 4.877 0 40 FJAB O=C(Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccno1 10254000 JPSBRDXPQMKGOB-UHFFFAOYSA-N 361.426 4.641 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N1CCC(c2c[nH]c3ccccc23)CC1 10881788 XIPNWZNHZIEWOW-UHFFFAOYSA-N 371.484 4.988 0 40 FJAB COCCNc1oc2c(c1-c1ccc(F)cc1)c(=O)oc1ccc(C)cc12 11614797 HJLFMKCIGHHBLR-UHFFFAOYSA-N 367.376 4.712 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1c(-c2ccccc2)nc2sccn12 12603939 IDHSHRRJIYHHJF-UHFFFAOYSA-N 367.861 4.897 0 40 FJAB CCc1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 13367498 IJTDCIQPGIFGNE-UHFFFAOYSA-N 362.454 4.564 0 40 FJAB COc1ccccc1Oc1nc(CN2CCCC2)nc2sc(C)c(C)c12 14184873 RLAFMZXCQJQJET-UHFFFAOYSA-N 369.490 4.705 0 40 FJAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccccc1OC(F)(F)F 16724636 ZUVFTJBLPVOKKY-JXMROGBWSA-N 373.277 4.839 0 40 FJAB Cc1csc([C@H](Cc2cccs2)NCc2ccc(F)c(F)c2)n1 19240081 WXJFIKYJKKVGMM-INIZCTEOSA-N 350.459 4.865 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2ccccc2Cl)c2ccccc2)cc1 20456268 RZRNJKPFENBLDD-QFIPXVFZSA-N 365.860 4.933 0 40 FJAB CCCCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 22235468 FBMPACWAUZOKHF-UHFFFAOYSA-N 360.457 4.543 0 40 FJAB Cc1cccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)c1C 24758188 JTPHTKNZIYOIMB-UHFFFAOYSA-N 362.405 4.579 0 40 FJAB COc1ccccc1-n1c(S)nnc1[C@H](C)c1ccc(CC(C)C)cc1 28295970 ZUPWVZCNLGFZRI-OAHLLOKOSA-N 367.518 4.915 0 40 FJAB Fc1ccc(-c2ccc(CNCc3ccccc3Cn3ccnc3)o2)cc1 30651984 RRMMRKDXJPCYAQ-UHFFFAOYSA-N 361.420 4.620 0 40 FJAB CN(C)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 32819143 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367.474 4.652 0 40 FJAB COCCn1c(S[C@H](C)c2nccs2)nc2cc(Cl)ccc21 96010384 MEIZDIHIPQSCHZ-SNVBAGLBSA-N 353.900 4.646 0 40 FJAB Cc1csc(C2(NC(=O)[C@@H](C)c3cc4ccccc4o3)CCCC2)n1 176373963 YESHGABWMYXCGK-AWEZNQCLSA-N 354.475 4.887 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 219515559 ZPXMDORSMWNHDW-AVRDEDQJSA-N 369.505 4.983 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220091 BVAQTBXTHYENAF-JTSKRJEESA-N 351.490 4.827 0 40 FJAB O=C(Cc1cccs1)NCCSCc1ccc(Cl)cc1Cl 224014016 PPISFBLKMLKPLJ-UHFFFAOYSA-N 360.331 4.647 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSC1CCCC1 224609308 LFKJMSWXQREDCK-IBGZPJMESA-N 357.519 4.789 0 40 FJAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1cccc2ccccc12 225094726 SCJLHJIYANUJGD-GOSISDBHSA-N 360.331 4.933 0 40 FJAB c1ccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)nc1 306134942 OCBYYNYVKMUIAC-GOSISDBHSA-N 360.486 4.795 0 40 FJAB COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3F)cs2)cc1OC 539517882 YHQGWYYIFXEEJT-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1CC(F)(F)F 643894078 UZPDQSFLVPYVEP-UHFFFAOYSA-N 352.385 4.929 0 40 FJAB Cc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 644192 WKTGHUUMBYHXSJ-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB COc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1OC 854869 XMHKNVSRQRXIGV-UHFFFAOYSA-N 373.456 4.714 0 40 FJAB COC1(OC)CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OC(C)=O)C1 1695599 DSRZCCVUQXSSJM-ADAARDCZSA-N 362.510 4.624 0 40 FJAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1c(F)cccc1F 2961427 VNNKUDYCRSFGEO-UHFFFAOYSA-N 367.380 4.889 0 40 FJAB CCCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 3313547 OHOFJCFWQLSPBX-UHFFFAOYSA-N 366.465 4.629 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 3366543 ACYKAVGVJCOVHV-SKDRFNHKSA-N 366.836 4.541 0 40 FJAB CCCCCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 3666371 SZUIVDDTEKRZIU-IKJYFWGWSA-N 366.457 4.618 0 40 FJAB S=c1nnc(-c2ccccc2)c(Nc2ccc(Br)cc2)[nH]1 3846916 MVGRBYQNZAIAFS-UHFFFAOYSA-N 359.252 4.707 0 40 FJAB CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC)CC2=O)cc1 4033315 HEDJARCTMXXHIC-SFHVURJKSA-N 361.489 4.919 0 40 FJAB Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1 4659787 CJFFQVBLYGBBMR-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 5066129 HMUBSXIONOADDV-LJQANCHMSA-N 365.473 4.900 0 40 FJAB Cc1cc2oc(=O)c(CC(=O)NC(C)C)c(C)c2c2occ(C(C)(C)C)c12 5345630 STXNDZMIIUSRKU-UHFFFAOYSA-N 369.461 4.521 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc(N2CCCC2=O)c1 5440467 HGJZGIKMMUOKNC-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1 5609255 ONPKFWPGHUBGDO-UHFFFAOYSA-N 373.408 4.862 0 40 FJAB O=C(COc1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 6529480 ACEOIEVORMIAFC-UHFFFAOYSA-N 365.860 4.948 0 40 FJAB CCOc1ccccc1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 6546089 FESJBWUIZDLYGA-UHFFFAOYSA-N 363.442 4.942 0 40 FJAB C[C@H]1CCCC[C@H]1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 6943986 PSECHVGJFFWNTD-MAUKXSAKSA-N 365.502 4.909 0 40 FJAB COC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 8060644 PUMRHHLPGQCGAX-UHFFFAOYSA-N 372.380 4.534 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccccc1)c1ccccc1 8316545 YPWYMNKUMISFGB-HSZRJFAPSA-N 354.453 4.811 0 40 FJAB O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)c(Cl)c1 8770039 QNSGGMZCAQKOAT-UHFFFAOYSA-N 361.829 4.600 0 40 FJAB CCCCc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 9340573 SGQVKRPXGZUUCU-UHFFFAOYSA-N 364.489 4.520 0 40 FJAB COc1ccc(C(=O)c2oc3cc(NC(=O)C(C)C)ccc3c2C)cc1 9530829 OALUNUNCFGICAQ-UHFFFAOYSA-N 351.402 4.575 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Cl 11636857 LCTBMHASVMPBPV-INIZCTEOSA-N 354.233 4.798 0 40 FJAB Cc1ccccc1CNC(=O)CCc1nc2ccccc2n1-c1ccccc1 12520608 SBPACUNBVHSFJH-UHFFFAOYSA-N 369.468 4.583 0 40 FJAB CCc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 16161724 ANDKCZNEIQCEBH-UHFFFAOYSA-N 369.852 4.914 0 40 FJAB Clc1ccc(COc2ccc(Cl)cc2CNC[C@H]2CCCO2)cc1 16401779 USMURXJCDSYENG-GOSISDBHSA-N 366.288 4.841 0 40 FJAB COc1ccc(-c2snc(C)c2-c2ccnn2-c2ccccc2)c(O)c1 16756743 IUPOAKPLUPAPRC-UHFFFAOYSA-N 363.442 4.685 0 40 FJAB COc1cccc([C@@H]2CCCN2Cc2c(C)nc3ccc(Cl)cn23)c1 19715702 WHSYIMZOINRODI-SFHVURJKSA-N 355.869 4.642 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Br)c1 20038795 WCPPLGUSZVYOKL-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c1 28030817 GMWCXENYNKPMBI-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB Cc1nc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)cs1 28251510 VGEAYSXBGIXNKP-UHFFFAOYSA-N 357.287 4.903 0 40 FJAB Cc1ccc(-c2nn(CN(C3CCCC3)C3CC3)c(=O)c3ccccc23)cc1 32923218 PKWBYIPTUHOVCW-UHFFFAOYSA-N 373.500 4.736 0 40 FJAB CC1(C)Oc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2O1 32931707 MACGOZJBQPUQAF-UHFFFAOYSA-N 361.825 4.643 0 40 FJAB Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 35311523 HRDUJVSCJMCKMT-UHFFFAOYSA-N 356.853 4.775 0 40 FJAB O=C(c1cccc(OCc2cccnc2)c1)N(Cc1cccs1)C1CC1 40141856 SRJNXXVLFNXKGL-UHFFFAOYSA-N 364.470 4.527 0 40 FJAB O=C(NCCNc1ccc2ccccc2n1)Nc1cccc2ccccc12 58007852 LDJIEJHSYSRKIB-UHFFFAOYSA-N 356.429 4.622 0 40 FJAB CCN(C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H](C)C(C)C 58168393 WDSYTSJJWSMJNI-DYVFJYSZSA-N 354.441 4.741 0 40 FJAB CCC(CC)c1cc(CNC(=O)c2occc2COc2ccccc2)on1 72296851 NOBQUAMOWQBMOU-UHFFFAOYSA-N 368.433 4.680 0 40 FJAB O=C(Nc1cc(Cl)ccc1NC1CC1)[C@H]1C[C@H]1c1ccc(F)cc1F 76093147 CODYRFADVJIYBZ-GJZGRUSLSA-N 362.807 4.935 0 40 FJAB C[C@H](N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 95422094 PTHJUCNHWFUTHB-BQFCYCMXSA-N 357.567 4.927 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 223053792 VLOZMOIUUBNMRD-AOMKIAJQSA-N 367.489 4.609 0 40 FJAB Cc1ccc(CSCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223667270 UQNXLLFAAABWNI-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1C 223915798 IAEBUNQCLIGKFU-VGSWGCGISA-N 351.490 4.909 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224320143 OTOPVYLJBRZSHF-WOJBJXKFSA-N 362.502 4.512 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCC2)cc1 224925008 KGQNRJSWJDTGLI-FQEVSTJZSA-N 352.478 4.700 0 40 FJAB CCO[C@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@@H](C)C1 225831091 NLXIQFPMGMFULV-SJKOYZFVSA-N 359.388 4.638 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3cccc(OC)c3)CCCC2)cc1 225846706 HUGVMBMQKOZNEF-UHFFFAOYSA-N 370.518 4.850 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3)n2)cc1 408695301 PSBRUYRVCQWRJF-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COc1ccc(/C=C(/C(=O)NCCSC(C)(C)C)c2ccccc2)cc1 408927561 XKFNCTGDDYDSMK-CAPFRKAQSA-N 369.530 4.884 0 40 FJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2c3ccccc3C[C@@H]21 408992511 AGVGHIKTGCLZHU-BVSLBCMMSA-N 371.436 4.864 0 40 FJAB O=C(N1CCC(Oc2ccsc2)CC1)C1(c2cccs2)CCCC1 575618335 HAOWSJWTUOHMRP-UHFFFAOYSA-N 361.532 4.691 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccco1)c1cccs1 585147660 AWWZDFDTEJOIAT-ZDUSSCGKSA-N 363.841 4.624 0 40 FJAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1ncccc1OCc1ccccc1 616224022 PFBMFBGITBBIPN-XLIONFOSSA-N 372.415 4.815 0 40 FJAB CCNC(=O)N1CCc2ccc(NCc3ccc(F)c4ccccc34)cc21 630064773 BHFJSYFJZIJNJA-UHFFFAOYSA-N 363.436 4.683 0 40 FJAB Cc1ccsc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615154242 FRFWSHFFYQVFKI-ROUUACIJSA-N 372.509 4.858 0 40 FJAB Clc1cccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888909557 VLGAUIAMBHTJKM-UHFFFAOYSA-N 360.870 4.594 0 40 FJAB CCOC(=O)c1c(C)n(-c2cccc(Br)c2)c2ccc(O)cc12 835754 PLQURVBPCLDAKR-UHFFFAOYSA-N 374.234 4.584 0 40 FJAB Cc1ccc(-c2nc(NC(=O)COc3cccc(C)c3)sc2C)cc1 947340 CLHXIRFYBKBKQW-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccco2)c1C 1216918 BNPQMWTYGHHDEP-OUKQBFOZSA-N 360.413 4.801 0 40 FJAB CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(C)cc2)cs1 1405104 QKGNKQFMQITZMM-UHFFFAOYSA-N 374.469 4.930 0 40 FJAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 1728736 SWMIHNZXBGWEHT-UHFFFAOYSA-N 369.286 4.525 0 40 FJAB COc1cccc(N(C(=O)c2ccncc2)c2nc3ccccc3s2)c1 2663668 KFPBYGJQYSFFLR-UHFFFAOYSA-N 361.426 4.678 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)o1 2708428 PZHDYYSOPMJPEV-UHFFFAOYSA-N 367.426 4.611 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 2723666 SQCASRMNCPXNCQ-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB COc1cc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc(OC)c1OC 3348979 OIKBZNWQMXCUMQ-UHFFFAOYSA-N 358.397 4.903 0 40 FJAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 3356753 HUQVHYDEUPYHAN-SNVBAGLBSA-N 372.774 4.807 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)c1 3912432 WNNRWZIHLBVKCH-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB COc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 6152153 FFJRPRNLLRIMDC-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB Cc1cccc(COc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1 6335999 HSTBRCRSOOUHLE-UHFFFAOYSA-N 361.397 4.555 0 40 FJAB Cc1cc2oc(=O)cc(CSCc3ccc4c(c3)OCO4)c2cc1Cl 6654380 XEBKHPGRXAXKRT-UHFFFAOYSA-N 374.845 4.917 0 40 FJAB Cc1cc(C)c2c(N)c(-c3cc(-c4ccc5c(c4)OCO5)no3)sc2n1 6659332 XDEXXLASQNOINR-UHFFFAOYSA-N 365.414 4.546 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1-c1ccccc1 6785053 PONSURWUZCJUBC-IBGZPJMESA-N 359.469 4.870 0 40 FJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(OC)c2)N3)C1 6934132 YERUVQBWOXCGCH-ZMZPIMSZSA-N 372.490 4.709 0 40 FJAB Cc1nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n(C2CCCC2)c1C 7120516 SBVSSHQHPHNDKJ-LJQANCHMSA-N 369.534 4.727 0 40 FJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1F 7655785 LVXLYBVIRXCYKH-HXUWFJFHSA-N 352.336 4.746 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)c(C)c1 8500118 LDUZPPUHZQFASC-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8560149 RJQGLVKBKBQJEN-CHWSQXEVSA-N 363.914 4.665 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@@H]1c1ccccc1Cl 10818643 VHVIBRWRUOKPDU-OLZOCXBDSA-N 355.850 4.601 0 40 FJAB O=C(NCc1csc(-c2ccccc2)n1)c1ccccc1Br 10893685 CJDICUCQLWJZIN-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB Cc1ccc(C)c(Cn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667281 KCLCXPXJGLIADS-QGZVFWFLSA-N 373.456 4.785 0 40 FJAB CSc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 12620814 OUYCRXJMXJWXGM-UHFFFAOYSA-N 368.527 4.813 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 13040309 QNQROHHPAXDRNC-UHFFFAOYSA-N 351.277 4.681 0 40 FJAB COc1cc([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14727695 YPQNDHHCUQGPFN-IRTBSJMASA-N 358.434 4.503 0 40 FJAB biogenic,in-vitro C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 17524027 XDJRQQVWUSXAFQ-AUUYWEPGSA-N 363.457 4.630 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 18230607 KPOVXILMLQNLKM-UHFFFAOYSA-N 366.486 4.829 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1 20456763 VCFALDBKWOHOEL-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)n1-c1ccon1 21369661 KENCSYBKKMVNHJ-UHFFFAOYSA-N 363.442 4.605 0 40 FJAB Cc1cccc(CSCC(=O)Nc2ccccc2Br)c1 22913817 IJCDKCNBZCMRBZ-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB O=C(CSc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 26040081 HCWNWGRGYRECKN-UHFFFAOYSA-N 355.440 4.514 0 40 FJAB O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29568879 MKWHGTKJSQXSDG-UHFFFAOYSA-N 350.393 4.820 0 40 FJAB Cc1ccc2sc(NC(=O)c3ccc(Br)o3)nc2c1C 32610543 XSFOZUTWGFCSRL-UHFFFAOYSA-N 351.225 4.521 0 40 FJAB Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Cl 33326260 FUNCUAHFNOARNH-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB CC(C)(C)c1cc(SC[C@@H]2CN=C(N)S2)cc(C(C)(C)C)c1O 35327630 ALTFRXAGTGJIFC-LBPRGKRZSA-N 352.569 4.509 0 40 FJAB O=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CCCC2)c(Cl)c1 51129010 IYMNQKYJTNBCBR-UHFFFAOYSA-N 358.656 4.547 0 40 FJAB O=C(c1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72348630 DAMSSOUQSFVNRM-UHFFFAOYSA-N 374.459 4.831 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 72380257 DLTLXYXYHJDODE-QGZVFWFLSA-N 365.864 4.750 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C/C=C/c1ccccc1 76555437 FTIQDBSDVFHNNN-HSRJRILOSA-N 359.473 4.823 0 40 FJAB Cc1cccc(C)c1N1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O 90558892 RXXRSVLBIIZNGL-CQSZACIVSA-N 367.836 4.527 0 40 FJAB CCC[C@@H](C)C(=O)NCc1ccc(Cl)c(NC(=O)[C@H](C)CCC)c1 95432184 HSCOLEOFMSCSIO-ZIAGYGMSSA-N 352.906 4.767 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1C(C)C 222812730 XKSNHOPJYONEAA-LJQANCHMSA-N 367.489 4.916 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223706634 FPMHNTWLBNBDMX-SFHVURJKSA-N 369.505 4.563 0 40 FJAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccccc2Cl)c1 226240743 KINAXGVDHMLTML-UHFFFAOYSA-N 370.802 4.808 0 40 FJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247432709 UVSKMCDCQANQJJ-WVPHPZGVSA-N 355.384 4.960 0 40 FJAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccccc1 408614056 XUDYLHRWUBACOU-UHFFFAOYSA-N 363.413 4.585 0 40 FJAB Cc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl 408906033 CGAIMOPOAZTUFB-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408997234 DBVPOPSITIIFRG-FQEVSTJZSA-N 366.461 4.549 0 40 FJAB C[C@@H](NC[C@H](CO)c1ccc(Cl)cc1)c1cccc(-c2ccncc2)c1 672618857 APQDUGOIYSYDEL-IIBYNOLFSA-N 366.892 4.829 0 40 FJAB O[C@H](C[C@H]1CCCCCN1Cc1cnc2ccccc2n1)c1cccs1 851803378 SCSWXJAMNVUTJD-YLJYHZDGSA-N 367.518 4.560 0 40 FJAB CCOP(=O)(CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1)OCC 1776004472 SGSKIUTXWVKFSD-UHFFFAOYSA-N 367.426 4.567 0 40 FJAB Cc1ccc2nc(SCc3nccc(OCC(F)(F)F)c3C)[nH]c2c1 2088617634 LVKVCXXGDUKUNS-UHFFFAOYSA-N 367.396 4.808 0 40 FJAB CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(O)cc12 704414 VFFQTJWPHJPMPI-UHFFFAOYSA-N 374.234 4.584 0 40 FJAB Brc1ccc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)o1 725042 HIELYQCVXPTFRN-UHFFFAOYSA-N 370.250 4.793 0 40 FJAB O=C1c2ccccc2N(c2ccccc2)C(=O)[C@@]1(Cl)Cc1ccccc1 984400 CRNWGZQSAWNEBF-JOCHJYFZSA-N 361.828 4.768 0 40 FJAB O=C(c1cccnc1Cl)N1c2ccccc2OC[C@@H]1c1ccccc1 1392394 FFWSNWLQUFRXNZ-QGZVFWFLSA-N 350.805 4.516 0 40 FJAB COc1cccc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)c1OC 3279034 KHFIHOIPEBEIAF-FOCLMDBBSA-N 373.452 4.947 0 40 FJAB COc1ccc([C@@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc23)cc1 3330269 JDCTYGZEEZYDRD-HXUWFJFHSA-N 362.473 4.615 0 40 FJAB COc1ccc(OCCn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 3648880 QTFPTYDFYRPHFO-UHFFFAOYSA-N 371.436 4.960 0 40 FJAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ncccn23)cc1C 4735176 QOHOPLIMQMKVBV-UHFFFAOYSA-N 357.461 4.823 0 40 FJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(F)c(F)c1 5146652 OFJDSJCNAXDSMZ-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 7414774 QIIOFNRFJNQKKY-GFCCVEGCSA-N 363.335 4.708 0 40 FJAB Fc1ccc(OCCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 8187059 LCPLISIRMVCMAR-UHFFFAOYSA-N 369.421 4.918 0 40 FJAB Cc1ccc(Sc2ccc(NC(=S)NC[C@@H]3CCCO3)cc2)c(C)c1 8230891 QHSBDCMDJKTBMZ-KRWDZBQOSA-N 372.559 4.920 0 40 FJAB Cc1sc2nc(CSc3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1C 8692492 QLDFOIBUXWJYGE-UHFFFAOYSA-N 370.421 4.913 0 40 FJAB O=C(Nc1ccccc1O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 8708247 KYFQTEKMEXJRBI-UHFFFAOYSA-N 372.833 4.612 0 40 FJAB CCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1 8916640 QLMNRCOOOIZOHU-HXUWFJFHSA-N 361.441 4.755 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(Oc4ccc(-n5ccnc5)cc4)c23)C1 9493832 IUROXKQOHLZBML-ZDUSSCGKSA-N 362.458 4.794 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)[C@H]1CC=CCC1 10572887 DVTKSPPJVMCXCS-VIFPVBQESA-N 369.309 4.929 0 40 FJAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 10897833 KGQZNRGHSPMALB-HCRIHEDKSA-N 364.228 4.577 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1F 11517497 CWUKOPJYLLSTIT-UHFFFAOYSA-N 367.376 4.888 0 40 FJAB CC(C)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc1 11856543 GBXRUXVKGQWPMW-UHFFFAOYSA-N 363.413 4.595 0 40 FJAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 12062234 JUOSYUQATGRMFQ-LJQANCHMSA-N 358.869 4.911 0 40 FJAB Cc1ccc(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 12530995 ROWCUIYEOGXLGX-SFHVURJKSA-N 368.868 4.635 0 40 FJAB Cc1ccc2c(CC(=O)Nc3nnc(C4CCCCC4)s3)coc2c1 12773506 NQTUZGFBGPOKNV-UHFFFAOYSA-N 355.463 4.822 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)cc1 12777142 RUTBTQSKUKKBMB-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 12937865 XTNDOWGPFKDTOJ-JOCHJYFZSA-N 362.498 4.643 0 40 FJAB COc1ccc(C2(NCc3cc(Cl)c4c(c3)OCO4)CCCC2)cc1 13998189 DWFJIDNOEMCYGN-UHFFFAOYSA-N 359.853 4.636 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2SCC(F)(F)F)c1 14900903 LIOJVBJPOWVSCR-UHFFFAOYSA-N 369.408 4.975 0 40 FJAB COc1ccc(-c2csc(Sc3nncc4ccccc34)n2)cc1 16217475 WAQVMRZEPWRODO-UHFFFAOYSA-N 351.456 4.913 0 40 FJAB CN(Cc1ccccc1N1CCCCC1)C(=O)Nc1ccc(F)cc1F 17743723 WINIIJNBRVIZAH-UHFFFAOYSA-N 359.420 4.619 0 40 FJAB CCCn1nc(C)c(-c2cncn2[C@H](C)c2ccc3c(c2)CCCO3)c1C 19654466 PJPJVFKFLVUXSP-MRXNPFEDSA-N 364.493 4.708 0 40 FJAB CC[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 22619737 VPRVWFIOXRTXLG-GHTZIAJQSA-N 370.924 4.787 0 40 FJAB CCOc1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1 27584573 HKLHVNNUQPBBDX-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB Cc1c(C(=O)Nc2nc(-c3ccccc3)ns2)oc2ccc(F)cc12 28286896 VNPMSEZDNBPAQJ-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB CC(=O)OC/C(=C\CC/C(=C/CC/C(C)=C\CO)CO)CCC=C(C)C 31159387 GFDOSVZSTRYXMK-DVCQJWBLSA-N 364.526 4.640 0 40 FJAB biogenic,in-vitro O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccccc1 31560520 BATDJYIYGYYDHD-XMMPIXPASA-N 370.496 4.823 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCc2ccccc2C1 32879053 SSMHTQFMAGYPHR-UHFFFAOYSA-N 366.848 4.513 0 40 FJAB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)o1 35646957 UZCXPOABGDAQFH-QPEQYQDCSA-N 353.230 4.786 0 40 FJAB Cc1sc(-n2cccc2)c(C(=O)Nc2cnn(-c3ccccc3)c2)c1C 58159679 ZYXWOJYRPLQHHG-UHFFFAOYSA-N 362.458 4.594 0 40 FJAB COc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(N)cc2Cl)cc1 72229588 DMHSSYAOTLWHMK-ZDUSSCGKSA-N 373.884 4.562 0 40 FJAB C[C@H](NC(=O)N[C@H](C)Cc1cccs1)c1ccc(-c2ccncc2)cc1 74852458 FRTLAOPKNTVHLO-CVEARBPZSA-N 365.502 4.802 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)N(CCC(F)(F)F)CC1CC1 79053719 RIBZUWPZKWUOTE-UHFFFAOYSA-N 374.453 4.605 0 40 FJAB O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1sc2ccccc2c1Cl 95428319 GFKKWBWLKLADEX-UHFFFAOYSA-N 371.845 4.703 0 40 FJAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)s1 96047297 PYARSEBVFYWUEF-UHFFFAOYSA-N 374.575 4.636 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)c2ccc(C(F)(F)F)nc2)cs1 206895911 PEEUENMULOCVTF-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB O=C(Cc1ccsc1)N1CCS[C@@H](c2ccccc2Cl)CC1 206998344 CVBBEZNMJLKVSN-MRXNPFEDSA-N 351.924 4.651 0 40 FJAB CC(C)Oc1ccccc1C(=O)NCCSCc1ccccc1Cl 219731784 AYUUFHLJKDKPJA-UHFFFAOYSA-N 363.910 4.790 0 40 FJAB COC(=O)c1cc(NC(=O)CCc2cccc3ccccc23)ccc1Cl 222668310 VCAJBLHHNOFYPV-UHFFFAOYSA-N 367.832 4.851 0 40 FJAB Cc1ccc(SCCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223441705 PATHVACFJXUYOJ-UHFFFAOYSA-N 371.546 4.970 0 40 FJAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1cc(C)cc(C)c1 224535204 PRPYTCDFCRHUSF-UHFFFAOYSA-N 355.478 4.763 0 40 FJAB CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225052566 RTMRKCKKKQLBHX-UHFFFAOYSA-N 366.269 4.972 0 40 FJAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225570773 YFRBOURHSVFVFN-UHFFFAOYSA-N 371.452 4.547 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(C)c(C)c1 225711531 DLAKIESVQOSVQJ-SFHVURJKSA-N 356.491 4.528 0 40 FJAB Brc1ccc(Cc2nc3cc(-n4cccc4)ccc3o2)cc1 226246648 UJJHRTPANGFKOG-UHFFFAOYSA-N 353.219 4.972 0 40 FJAB CCc1csc([C@H]2CCCN(Cc3ccc4oc(C(=O)O)cc4c3)C2)n1 563280112 KHCYPFJSPZJNLG-AWEZNQCLSA-N 370.474 4.530 0 40 FJAB COc1ccccc1-c1cccc(NC(=O)N[C@@H]2CCc3ccc(O)cc32)c1 1200098411 JNAFZITZTMHNDD-OAQYLSRUSA-N 374.440 4.877 0 40 FJAB Cn1nc(C(C)(C)C)cc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 1332313145 VVGYRTFROABFMV-UHFFFAOYSA-N 368.868 4.685 0 40 FJAB Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615159493 VIRIDRDSAYNONM-SFTDATJTSA-N 366.480 4.796 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 678091 OEGNJMPNRYBHPK-UHFFFAOYSA-N 366.442 4.651 0 40 FJAB Cc1cc(NC(=O)c2ccccc2Cl)ccc1I 705680 CPKZHNRYXPCJOO-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB CCN(CC)C(=O)CSc1nc(C2CCCCC2)nc2ccccc12 1376440 PIYSWNWSOXPWTM-UHFFFAOYSA-N 357.523 4.638 0 40 FJAB Cc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1C 2440935 YHPUKBNSYFTJFN-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB Cc1ccc(C)c(OCc2ccc(C(=O)NCc3ccc(F)cc3)o2)c1 2764091 WOSKBYNVVUSREV-UHFFFAOYSA-N 353.393 4.545 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c(C)c1 3217162 HGVDPTGYTSYQRS-UHFFFAOYSA-N 373.452 4.690 0 40 FJAB CSc1ccc(CN(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3455637 AVTCMPROGAVNIX-UHFFFAOYSA-N 356.535 4.777 0 40 FJAB COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(Cl)c3C)noc1-2 4881375 YSGATFNSTNPHFM-UHFFFAOYSA-N 368.820 4.663 0 40 FJAB Cc1nc(SCC(=O)c2ccc(F)cc2)c2oc3ccccc3c2n1 5252757 VIANYFOLJWMEBJ-UHFFFAOYSA-N 352.390 4.799 0 40 FJAB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 6629495 PEYZFUGSJZIJRW-PDGQHHTCSA-N 354.475 4.849 0 40 FJAB Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810573 GEIIQOYSPBDGKZ-UHFFFAOYSA-N 369.848 4.849 0 40 FJAB Cc1[nH]c2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7602942 GPTXFPLPNWGGAQ-YVLHZVERSA-N 350.399 4.835 0 40 FJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 8990197 VOYIXWCDTIFGRP-NRFANRHFSA-N 362.404 4.601 0 40 FJAB CCCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137631 AFYJSBAMMBFCJX-UHFFFAOYSA-N 364.489 4.827 0 40 FJAB COc1cc(SC)ccc1C(=O)N1CC[C@@H](C)Sc2ccccc21 11055863 QBWSMJSRAAAKAQ-CYBMUJFWSA-N 359.516 4.948 0 40 FJAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(Cl)cc1Cl 11822376 GRAGIIBAAKTWSS-XVNBXDOJSA-N 353.201 4.679 0 40 FJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3c(F)cccc3F)cc2)cs1 12586412 WITXAQMETFFVBR-LLVKDONJSA-N 373.428 4.836 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 14008950 KKUVRYPDQUDJGU-UHFFFAOYSA-N 364.489 4.520 0 40 FJAB Cc1nccn1-c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 15084154 LKTJXCOVOLBUOC-UHFFFAOYSA-N 358.445 4.623 0 40 FJAB Brc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1 19923026 YGIUYFSZVBGRGE-UHFFFAOYSA-N 356.248 4.887 0 40 FJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@@H](C)c1ccccc1)CO3 20479981 HVUOHEIFNBNVES-AWEZNQCLSA-N 369.848 4.976 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1C 20491697 CFVJFBBCADHSAT-UHFFFAOYSA-N 363.413 4.586 0 40 FJAB COc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc(Cl)c1OC(C)C 23429609 FFYDRTRGDHSXPE-HUUCEWRRSA-N 365.901 4.788 0 40 FJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(C)ccc3F)o2)cc1 28236734 VETXBFTYMZQIBA-UHFFFAOYSA-N 367.376 4.761 0 40 FJAB Cc1cccc(NC(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1 28579713 IFCXZXBMTBLUAO-UHFFFAOYSA-N 358.804 4.676 0 40 FJAB Cc1cc(NC(=S)NCCSC(C)(C)C)ccc1Br 33632815 YGQJNKCYLDBCMU-UHFFFAOYSA-N 361.374 4.576 0 40 FJAB CN(Cc1ccco1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 40012043 ZONANJPMUBEGQC-UHFFFAOYSA-N 365.864 4.963 0 40 FJAB CC[C@H](NC(=O)Nc1ccccc1OC)c1ccccc1OC(F)F 40088372 GAQPDHKBNWOBII-ZDUSSCGKSA-N 350.365 4.569 0 40 FJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 40104014 AHXDESCTPFWBEW-UHFFFAOYSA-N 353.466 4.725 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)c2)n1 45020571 IBCWQIMKCPQTBK-HZPDHXFCSA-N 363.383 4.759 0 40 FJAB Cc1cc(Br)cc(Cl)c1NC(=O)/C=C/c1cscn1 50332124 KKZNQSIAQKNNHZ-NSCUHMNNSA-N 357.660 4.519 0 40 FJAB COc1ccc([C@@H](NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 58169393 JZWBFYPNTWEHFQ-DEOSSOPVSA-N 374.484 4.630 0 40 FJAB CC(=O)Nc1ccc(OC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 58382434 QMTBAHAGFMSSDD-UHFFFAOYSA-N 366.442 4.605 0 40 FJAB Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1-c1ccc(F)cc1 72029912 MXRPGWKLCDYAAJ-SJORKVTESA-N 352.434 5.000 0 40 FJAB O=C(Cc1cccs1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 90607060 DUZXNWVERDDURA-UHFFFAOYSA-N 371.531 4.647 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 222968087 JZTJSFVQSZIHFN-OALUTQOASA-N 367.489 4.879 0 40 FJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223084864 YOKKZOMLSQGESY-WOJBJXKFSA-N 368.550 4.769 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C)o2)c1 224845682 BPTMCHSKBSZJSZ-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 224990726 NJLHUHGLNBKIOV-UHFFFAOYSA-N 372.896 4.761 0 40 FJAB Cc1ccc(CSCCNC(=S)Nc2ccc(Cl)cc2)cc1 225292269 QDYSIBBDPWLZJX-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCOc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225432050 TUYYPWMOABNYIV-UHFFFAOYSA-N 370.518 4.893 0 40 FJAB COc1ccc(C2(NC(=S)Nc3ccc(C)cc3)CCCC2)cc1OC 225841191 BPBWBXRKXXTAKW-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c2cccnc12 225901084 GJNLTTQIWNYSJM-QVKFZJNVSA-N 356.466 4.557 0 40 FJAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1Cl 390826285 HBXQODYLBHRECQ-HNNXBMFYSA-N 369.920 4.531 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1C 408681147 PGRNWBHYQQOLEY-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB Cc1ccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)cc1C 409113958 OWOKETURXYGHFB-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB Cc1ccncc1CNc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 572888109 JAPAKLQHHRBJLU-HNNXBMFYSA-N 357.885 4.670 0 40 FJAB Cc1cccc(OCc2nc(-c3ccc(Br)cc3)no2)c1C 627869 DSQJBSFFNUJODW-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB CC1(C)C[C@H]([C@H](CCNC(=O)c2cccs2)Cc2ccccc2)CCO1 1322370 WJCLVGYMVXGTON-RTBURBONSA-N 371.546 4.932 0 40 FJAB biogenic Clc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc23)cc1 2230508 LFXPSGYQGHCSAA-UHFFFAOYSA-N 357.804 4.660 0 40 FJAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2c1 2259029 MDJFUVYAOXERII-UHFFFAOYSA-N 363.394 4.509 0 40 FJAB Cc1ccc(COc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1 2268282 OAIUYJQWODOPQE-PXLXIMEGSA-N 369.420 4.919 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2s1 3602831 FSPGAQQJSWIMGT-CQSZACIVSA-N 356.516 4.526 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc2c(c1)cc(C)n2C 4061535 IKGHREULUORTAR-UHFFFAOYSA-N 372.468 4.969 0 40 FJAB Cc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c1 4224458 QYIUTLQOBXPYNI-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)C)cc2)N3)C1 4556418 CWQPYXVLBNMCBP-SFHVURJKSA-N 355.507 4.678 0 40 FJAB O=S(=O)(Nc1c2c(nc3ccccc13)CCCC2)c1cccc(Cl)c1 5602106 VZCRVWJZAQVDPB-UHFFFAOYSA-N 372.877 4.568 0 40 FJAB O=C(CCc1nc2ccccc2s1)NCc1cccc(C(F)(F)F)c1 5937527 HOVMMZQYCMLBTR-UHFFFAOYSA-N 364.392 4.564 0 40 FJAB Cc1nc2ccccc2nc1COc1ccccc1OC(=O)c1ccccc1 6418224 IVIVMGGAJQGDFB-UHFFFAOYSA-N 370.408 4.736 0 40 FJAB C=CCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 6640705 BTQDLBDJDPKHQK-ONNFQVAWSA-N 373.246 4.919 0 40 FJAB O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1cccs1 6809647 WOCOXNFQDZEGSI-UHFFFAOYSA-N 354.408 4.802 0 40 FJAB CCc1cccc(CC)c1NC(=O)COc1cccc(C(F)(F)F)c1 7263834 IQASKSZFLHVNNU-UHFFFAOYSA-N 351.368 4.848 0 40 FJAB O=C(c1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 7313162 CAEDQCAZADQBIL-AWEZNQCLSA-N 361.470 4.797 0 40 FJAB Clc1ccc(-c2noc(CSc3ncnc4ccccc34)n2)cc1 7424990 GGXSXKDAPZQDQC-UHFFFAOYSA-N 354.822 4.626 0 40 FJAB O=C(COc1cccc(Cl)c1)N[C@@H](c1ccccc1)c1cccs1 7890727 YXUFITZOJAJPEK-IBGZPJMESA-N 357.862 4.686 0 40 FJAB COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 8336177 ZSSGLVTWWSCVNT-MHWRWJLKSA-N 359.834 4.898 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9377847 XOELNMYYBZPVQQ-QGZVFWFLSA-N 363.413 4.571 0 40 FJAB Cc1nc2cc(C(=O)N3CCc4sccc4C3)ccc2n1-c1ccccc1 9896602 KVBFEGVKCUDESX-UHFFFAOYSA-N 373.481 4.594 0 40 FJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)cc1 10156578 BDMFQZRBOYKEHI-QGZVFWFLSA-N 373.456 4.758 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10336189 LBYSZJCEWPEYEW-UHFFFAOYSA-N 353.462 4.650 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1OC(F)F 12792657 HRPRCKVYJGBUMZ-UHFFFAOYSA-N 366.414 4.654 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21 12984830 KHLVLMGYUBTFFB-OAHLLOKOSA-N 368.502 4.668 0 40 FJAB Cc1cccc(CSCc2nnc(NC(=O)Nc3ccccc3)s2)c1 13548365 ZJVAAUQTVLEADU-UHFFFAOYSA-N 370.503 4.924 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 14007002 YAOPLCICZYHIIO-JTQLQIEISA-N 354.631 4.509 0 40 FJAB Cc1oc(=O)oc1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 15108955 FPTYHOPBZHRFSS-UHFFFAOYSA-N 364.426 4.891 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2cc(-c3cccs3)on2)c(OC)c1 16382734 KRKBKKHIJGQRTE-KRWDZBQOSA-N 370.474 4.757 0 40 FJAB COc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1 16842573 MBBZXPMKHUYXFZ-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2cccs2)on1 19120496 CNRFVWGKIQCBAL-GHTZIAJQSA-N 367.518 4.853 0 40 FJAB Cc1nc2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc2o1 22508831 RQGJNZIJXOQWEX-UHFFFAOYSA-N 361.426 4.935 0 40 FJAB Cc1ccc(/C=C/c2nc(SCC(=O)c3cc(C)sc3C)n[nH]2)o1 31802564 WOCLUSFKRVQMMH-VOTSOKGWSA-N 359.476 4.530 0 40 FJAB CCn1c(-c2ccco2)nn(CN(C2CCC(C)CC2)C2CC2)c1=S 32926871 DZCLAUFKNGDAQO-UHFFFAOYSA-N 360.527 4.695 0 40 FJAB Cc1ccc(C(=O)C2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c(C)c1 40086188 QZPPATDVCPDQJC-NRFANRHFSA-N 371.908 4.585 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c(C)c1 44837285 BXVPGUKJCUTIJA-UHFFFAOYSA-N 370.250 4.708 0 40 FJAB O=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 53944019 XNJPUAQURCQXHM-UHFFFAOYSA-N 354.409 4.931 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]1Cc1ccccc1 84068095 CILOIYADPPGNHB-FQEVSTJZSA-N 358.485 4.628 0 40 FJAB CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)C1 96122456 FGEOJAVIFPFIOK-HXUWFJFHSA-N 372.896 4.527 0 40 FJAB O=C(c1cccc2cccnc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100751563 WXSSSAXCDSJAKP-WOJBJXKFSA-N 360.432 4.925 0 40 FJAB Cc1cnn([C@@H]2CCCN(C(=O)c3c(-c4ccccc4)oc(C)c3C)C2)c1 186682327 KQIXNXVTNQDJKL-LJQANCHMSA-N 363.461 4.546 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222967799 LSIOOKBAQNLQPL-CABCVRRESA-N 357.881 4.864 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223921461 ONPPTEBVXSBTHP-KRWDZBQOSA-N 367.474 4.618 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccccc2)s1 224468817 JUNKVHMLPOLVLY-INIZCTEOSA-N 367.474 4.618 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COCC(C)C 224737732 VLSUGPOMSOTLKY-UHFFFAOYSA-N 363.404 4.788 0 40 FJAB Cc1ccc(NC(=S)NC2CCCCCCC2)cc1N1CCCC1=O 225518205 PCRBGCJZOBPKDM-UHFFFAOYSA-N 359.539 4.521 0 40 FJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)/C=C/c1cccs1 225625283 UHKAKWAOCVIENH-MDZDMXLPSA-N 361.426 4.912 0 40 FJAB COc1cccc(NC(=O)NCCSCc2c(F)cccc2Cl)c1 225760097 CBACKCOSXDGOIG-UHFFFAOYSA-N 368.861 4.543 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 225868115 JSRRYJITXZJKJU-UHFFFAOYSA-N 356.441 4.850 0 40 FJAB Brc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 226251067 XUBKRQOUCSGEHO-UHFFFAOYSA-N 369.262 4.880 0 40 FJAB COc1cc(C)ccc1[C@H]1C[C@](C)(NC(=O)C(C)C)[C@@H]2CC[C@@H](C)C[C@H]2O1 257268863 MNNMOOVKURPWHZ-GPZGYZMESA-N 373.537 4.801 0 40 FJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 408556700 JFAFTFXPQYZERR-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB O=C(CSCc1cccc(Cl)c1)Nc1cccc(Br)c1 408780680 HWKNZOCJPSBEKV-UHFFFAOYSA-N 370.699 4.974 0 40 FJAB CC[C@H](C)N1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@](C)(O)CC1(C)C 1276312 NSPNUFSFCCAZQP-GTNSWQLSSA-N 359.297 4.911 0 40 FJAB COc1ccccc1[C@H](CCN(Cc1cccs1)C(C)=O)c1ccco1 2259204 VETNKIMIPJMVSA-IBGZPJMESA-N 369.486 4.920 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)cc1C 4224464 KRHWXKZLQBXJCJ-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB CCC[C@H]1C[C@](C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O 4791458 SOCOMGZVYZHSDB-ORAYPTAESA-N 360.479 4.864 0 40 FJAB Cc1ccc([C@@]2(CC(=O)Nc3nccs3)CCO[C@@H](C(C)C)C2)cc1 5024602 LOSKEZFNDKIJNC-XLIONFOSSA-N 358.507 4.553 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 5864465 IUBZASRVQLLGBJ-UHFFFAOYSA-N 367.474 4.899 0 40 FJAB Cc1cccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1 6052447 AXXAJBVSWNLTHQ-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2 6097885 UFGURQIYJSOXLQ-LSDHHAIUSA-N 372.538 4.637 0 40 FJAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCCC2)cc(C)c1Cl 6571499 WZHADSGHOXJGII-UHFFFAOYSA-N 372.896 4.965 0 40 FJAB CCOc1ccc(Oc2ccc(N[C@H](C)C(=O)NC3CCCC3)cc2)cc1 7243429 QCHZBZHZCKHLNC-MRXNPFEDSA-N 368.477 4.737 0 40 FJAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cnc3ccccc3n2)c1 7363839 AILGWOFUHZPJQH-JOCHJYFZSA-N 366.424 4.709 0 40 FJAB O=C(O)Cc1sc(NNc2ccccc2)nc1-c1ccc(Cl)cc1 10219090 GTNBUJHZEBHMLD-UHFFFAOYSA-N 359.838 4.530 0 40 FJAB CCc1nc(NC(=O)Cc2sc(C)nc2-c2ccccc2)sc1C 12198542 PCRXHVCRMDOKLI-UHFFFAOYSA-N 357.504 4.627 0 40 FJAB C[C@@H](Oc1ccccc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 12409302 TZPAJGWWQILOHC-CYBMUJFWSA-N 373.441 4.541 0 40 FJAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc2c1 13563020 MXAFJSJFVQBMPD-UHFFFAOYSA-N 361.489 4.685 0 40 FJAB Cc1ccc(CNC(=O)COc2ccc(C3SCCCS3)cc2)cc1 14124735 MLGIPGITHXOHKI-UHFFFAOYSA-N 373.543 4.559 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1 14785394 GQVIJRZWFUUPHB-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB COCCSc1nnc(-c2cccc(Cl)c2)n1-c1cc(C)ccc1C 18268576 QBYXJXUHGHFDGM-UHFFFAOYSA-N 373.909 4.943 0 40 FJAB Cc1c(-c2cccs2)nn2c([C@@H]3CCN(Cc4ccccc4)C3)ccnc12 19557702 ABPMAHLAGSIPRH-GOSISDBHSA-N 374.513 4.756 0 40 FJAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CC(C)(C)C)n1 19558259 XHPASLFQCWUMPM-KRWDZBQOSA-N 370.497 4.547 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20105713 KKGCFUQALXTKEC-WMZHIEFXSA-N 359.469 4.977 0 40 FJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c(Cl)c1 20139422 KHJOZVYXNYGEPK-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)C1 20452685 ARADLAYSKOKUOL-PMACEKPBSA-N 364.533 4.670 0 40 FJAB COc1ccccc1/C=C/C(=O)N[C@H](c1ccccc1)c1ccccc1C 20456415 DGHQHLOHMVFFGZ-GQRCBVMOSA-N 357.453 4.923 0 40 FJAB CCOc1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1Cl 20490110 PVVBSYXHNIGVLH-CSKARUKUSA-N 350.245 4.722 0 40 FJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(Cc4ccccc4)nc32)c1 21801169 ZZDSYULBVJDWJE-UHFFFAOYSA-N 367.456 4.584 0 40 FJAB Cn1ccnc1[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 30643613 ARWIKBUPISJSMJ-NRFANRHFSA-N 361.420 4.698 0 40 FJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCc2sccc2[C@H]1C 31714975 KVNJNCOSHGFJNG-MNOVXSKESA-N 370.301 4.968 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CCCc2nc3ccccc3s2)c1C 32753712 IYTMJZMKKHULDJ-UHFFFAOYSA-N 367.474 4.525 0 40 FJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1CC=CCC1 32900327 XXHCBFNQYHWLFW-MJGOQNOKSA-N 362.473 4.815 0 40 FJAB COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1 33191985 CFNUYPOALGIAIQ-QMMMGPOBSA-N 374.687 4.664 0 40 FJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cc2ccccc2o1 36358026 QQJWFXGSTBLOKG-UHFFFAOYSA-N 371.352 4.594 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 38756769 GIPRSBZYBZNZPM-XLIONFOSSA-N 355.478 4.675 0 40 FJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(OC(F)F)c1 44580886 FYLXILBWQDVBBZ-UHFFFAOYSA-N 362.307 4.643 0 40 FJAB CCOc1cccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44839202 AZGVEOCGRMZJEP-UHFFFAOYSA-N 371.440 4.559 0 40 FJAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1OCc1cccc(Cl)c1 49545033 YTRUOSUDHFTRRB-MRXNPFEDSA-N 367.836 4.776 0 40 FJAB Cc1cccc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)n1 70635592 PMCOBKDBOGILNS-UHFFFAOYSA-N 370.821 4.560 0 40 FJAB Cc1ccc(-c2ncco2)cc1NC(=O)Cc1csc(-c2ccco2)n1 89644486 OAGORSKQKHBPHP-UHFFFAOYSA-N 365.414 4.548 0 40 FJAB O=C(OCc1ccc(Cl)c(Cl)c1)c1snnc1-c1cccs1 223847596 ICNCKUKZWPYPOH-UHFFFAOYSA-N 371.270 4.930 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(Cl)cc1 224154400 PXDFUUOPPLGSEH-UHFFFAOYSA-N 373.880 4.990 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)c(C)c1 225418102 QTXAYULMCKOBAZ-MRXNPFEDSA-N 362.267 4.647 0 40 FJAB C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(F)cc1 225472978 HOJFJVYCNALISU-VIFPVBQESA-N 371.250 4.775 0 40 FJAB CO[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccc(Cl)s1 225702830 KFNFNZXGXRCWKZ-GFCCVEGCSA-N 369.939 4.779 0 40 FJAB CCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769468 PEENMFCLWKLHDZ-UHFFFAOYSA-N 357.866 4.982 0 40 FJAB CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(OC)c(OC)c1 225808111 QNMRXOJCIUWROD-LJQANCHMSA-N 367.489 4.783 0 40 FJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 227144644 QQDKQBVIYPJYJP-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2)n(CC(C)C)n1 257302928 SFANFKAJXISOFT-UHFFFAOYSA-N 364.445 4.970 0 40 FJAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C)c(C)c1 645468 HXHCPUFPKFESFD-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCC2 1003716 BZEDYGNXPWJPBZ-UHFFFAOYSA-N 364.854 4.711 0 40 FJAB CCCCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2211079 MIXGMTLWUBCXBH-UHFFFAOYSA-N 354.519 4.800 0 40 FJAB CCCCCNc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2233140 CBKBMPLSFZTNKV-UHFFFAOYSA-N 351.541 4.867 0 40 FJAB Fc1ccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c1 2308534 BZSNHWRSRLHXAN-UHFFFAOYSA-N 360.436 4.709 0 40 FJAB Cc1nc2oc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2360623 QSAOFWARXAAOLZ-UHFFFAOYSA-N 374.444 4.543 0 40 FJAB O=C(COC(=O)c1sc2ccccc2c1Cl)NC1CCCCCC1 3238794 HVMAAXHIJZFZDV-UHFFFAOYSA-N 365.882 4.551 0 40 FJAB CN1CCC(N(C)c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 3306100 IYOAEBAARGYYSQ-UHFFFAOYSA-N 372.925 4.542 0 40 FJAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nc1Cc1ccccc1 4485579 MDFHKRNZZDEEPR-CQSZACIVSA-N 369.465 4.567 0 40 FJAB CC1(C)C[C@H]2c3cccc(C(=O)O)c3C(=O)N2c2c1ccc1ccccc21 4489245 VJZSQEZLBSSNBX-SFHVURJKSA-N 357.409 4.921 0 40 FJAB CC1=C[C@@H](C)[C@H](CN(CCCN(C)C)C(=O)Nc2ccccc2)[C@H](C)C1 4670475 BTSDULYOJUKWAH-SBHAEUEKSA-N 357.542 4.711 0 40 FJAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C)c3C)c(=O)oc2c1 4949741 LWCJOEYHGRQSQL-UHFFFAOYSA-N 364.445 4.508 0 40 FJAB Cc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)c1 5100830 LMHRJLOTHGGZEI-UHFFFAOYSA-N 358.445 4.801 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256077 ZIOLXBTYRUBLGL-IBGZPJMESA-N 369.827 4.918 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1 6550822 LSPIWKPUGIKFNO-FQEVSTJZSA-N 371.889 4.995 0 40 FJAB C[C@H](Sc1nccn1-c1cccc(F)c1)c1nnc(-c2cccs2)o1 6650037 XQIVXBOSZNGPGO-NSHDSACASA-N 372.450 4.976 0 40 FJAB CSc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1 6898803 KBMBCAJFYSCDTR-UHFFFAOYSA-N 369.265 4.626 0 40 FJAB Cn1nc(-c2ccccc2)c([C@H](O)c2ccccc2C(F)(F)F)c1Cl 6925448 JSFSSDXOQKVJHV-MRXNPFEDSA-N 366.770 4.841 0 40 FJAB O=c1[nH]c(CN2CCCCCC2)nc2scc(-c3ccccc3Cl)c12 7002129 BRNPBRPFWCGVLG-UHFFFAOYSA-N 373.909 4.681 0 40 FJAB Cc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 7688029 IDUMKAIUZSSYJY-UHFFFAOYSA-N 369.515 4.628 0 40 FJAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(Br)cc2F)c1 7781161 RJIPEUXXAZZOGK-UHFFFAOYSA-N 366.230 4.613 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccn2)cs1 7804815 LMTDMUJQVODYHQ-UHFFFAOYSA-N 373.865 4.655 0 40 FJAB CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2cccs2)c1=S 8752862 WAWNEJWJSXDUCC-CYBMUJFWSA-N 360.508 4.550 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903580 WDUOFCONITUGJA-UHFFFAOYSA-N 368.458 4.731 0 40 FJAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9192122 LKACLQKURLKZFG-UHFFFAOYSA-N 368.864 4.624 0 40 FJAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)cc2c1C 12553248 PBDIUMXCJXTABR-ZDUSSCGKSA-N 355.821 4.866 0 40 FJAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O 12727480 XDQKHODYAMQLTK-HSZRJFAPSA-N 364.489 4.732 0 40 FJAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Br 12754814 PKCWATDYGKRTPO-UHSVVUDUSA-N 362.311 4.843 0 40 FJAB CCCc1ccc([C@@H](Nc2ncnc3c2cnn3C)c2cccs2)cc1 12971954 ZAEHXVFEIDINCB-GOSISDBHSA-N 363.490 4.579 0 40 FJAB Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)c1 13564005 FGMLSXSWLVBROL-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB CC(=O)NCCCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 14187096 UYQFVCPBELTGKF-UHFFFAOYSA-N 369.465 4.762 0 40 FJAB Cc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 14226907 CGBFWWSYVPHBPN-UHFFFAOYSA-N 368.484 4.592 0 40 FJAB O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1 15011600 XFNLVHMZPNIKKD-NTUHNPAUSA-N 366.225 4.940 0 40 FJAB Fc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1Cl 16283098 KHECUTMLEBALKK-UHFFFAOYSA-N 362.779 4.985 0 40 FJAB CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 18158332 OXKYCYULUFRFFQ-INIZCTEOSA-N 361.420 4.834 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 20111057 APEPJNATSVSDIO-QGZVFWFLSA-N 361.441 4.765 0 40 FJAB Cc1cccn2cc(-c3cc(C)n(Cc4ccc5c(c4)OCO5)c3C)nc12 24839968 IXJAVQXZEQXZAV-UHFFFAOYSA-N 359.429 4.505 0 40 FJAB CN(Cc1nc(Cc2ccccc2)no1)C(c1ccccc1)c1ccccc1 40118749 YCWWCZQZYUPEPN-UHFFFAOYSA-N 369.468 4.882 0 40 FJAB CC(=O)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 41151215 YLDCKIBFVDGVFX-UHFFFAOYSA-N 358.401 4.781 0 40 FJAB Brc1ccc(OCC[C@H]2CCCNC2)c(-c2ccccc2)c1 42770682 NGFAJPROYIRCDE-OAHLLOKOSA-N 360.295 4.885 0 40 FJAB CC1(C)COC(CCCCC(=O)c2ccc(Br)cc2)OC1 43214491 AWARKPZQJWZYMI-UHFFFAOYSA-N 355.272 4.591 0 40 FJAB Cc1cc(-n2cnnc2)cc(-c2nc3cc(-c4ccccc4)ccc3o2)c1O 45920626 QUJLEKVDXSPCBL-UHFFFAOYSA-N 368.396 4.757 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 56386631 PHERTUOYMINDOO-ZIAGYGMSSA-N 373.884 4.762 0 40 FJAB O=C(Nc1cccc(Cl)c1F)c1cc(-c2cccc(Cl)c2)[nH]n1 57412624 FRXVLIIDDKTUCS-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21 59369977 WELKZOGJWUTYHD-IBGZPJMESA-N 370.496 4.734 0 40 FJAB CC(C)c1cc(C(=O)Nc2cccc3c2ccn3C)n(-c2ccccc2)n1 71285811 DFLBDOLVYGLSNU-UHFFFAOYSA-N 358.445 4.740 0 40 FJAB CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(N(CC)CC)cc2)s1 76084531 IBPMRSNYPHOJNY-OAHLLOKOSA-N 359.539 4.693 0 40 FJAB CC(C)Cc1ccc(C(=O)CCC(=O)N2CC=C(C(F)(F)F)CC2)cc1 89856509 NOLGWIPZGJFXLL-UHFFFAOYSA-N 367.411 4.569 0 40 FJAB COc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1 95946219 BUHGQTKMANQWRO-FQEVSTJZSA-N 360.413 4.588 0 40 FJAB COc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 100990551 ILQHMUSVRKYHSL-QGZVFWFLSA-N 373.243 4.650 0 40 FJAB Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 101100762 HBGHKJRCVCYPPX-OAHLLOKOSA-N 359.223 4.960 0 40 FJAB Cc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 102581119 FQKAYBVQTSJLTK-UWJYYQICSA-N 356.429 4.652 0 40 FJAB CC(C)(C)OC(=O)N1CCC(Cc2ccc(Br)cc2)CC1 114135777 SVYWEEHYJRQGAV-UHFFFAOYSA-N 354.288 4.639 0 40 FJAB CCc1nn(Cc2ccccc2)c(N)c1-c1ccccc1Br 199749575 QKJSICQFANLRGU-UHFFFAOYSA-N 356.267 4.506 0 40 FJAB COc1ccccc1OCC(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206877932 MCOCIJTUJSCPKW-KRWDZBQOSA-N 373.880 4.524 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222967750 LSIOOKBAQNLQPL-LSDHHAIUSA-N 357.881 4.864 0 40 FJAB Cc1ccc(CCC(=O)NCCCc2cccc(OC(C)C)c2)cc1C 223765900 IHSRQOOCXWJOEZ-UHFFFAOYSA-N 353.506 4.772 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1cccc(Cl)c1 224149331 KGOABBQAUMTCPK-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1C 225371414 KXIPEHRDYKMAOR-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCOCC2)c1 225567595 IHSFYRDASIRPOS-UHFFFAOYSA-N 367.489 4.778 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225640250 JOTDDKOKUPUTMI-ZDUSSCGKSA-N 368.424 4.768 0 40 FJAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3 225825627 PNZBNYAOFWLLQZ-UHFFFAOYSA-N 361.485 4.565 0 40 FJAB O=C1CC[C@]2(CCCN(CC3CCCCC3)CC2)N1Cc1ccc(F)cc1 585100813 XQAMRYKFBMSMCA-QHCPKHFHSA-N 372.528 4.753 0 40 FJAB Cc1scc(CNc2cccc(S(=O)(=O)c3ccccc3)c2)c1C 1656876221 LQNSWCUGFIXIJJ-UHFFFAOYSA-N 357.500 4.810 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c(C)c1 683039 ZCHKLQXHTAHVSF-UHFFFAOYSA-N 359.425 4.552 0 40 FJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccccc1OC 955140 YEOYPYJIYRSRQJ-UHFFFAOYSA-N 350.418 4.726 0 40 FJAB Clc1ccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)cc1 1303177 GZYUKIGPZSRFMY-UHFFFAOYSA-N 353.857 4.771 0 40 FJAB Cc1ccc(N2CCN(C(=S)Cc3cccc4ccccc34)CC2)cc1 1730976 CAKLYCNKJDYDED-UHFFFAOYSA-N 360.526 4.840 0 40 FJAB CCCCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 1912041 KCQITLRGFOWZNZ-UHFFFAOYSA-N 352.386 4.564 0 40 FJAB biogenic CC1(C)OC[C@@H](COCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1 2274978 SKOWQRVISCLQET-OAHLLOKOSA-N 350.499 4.655 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 2723038 HLFPTDXBDVMGRI-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB COc1cccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)c1 3893247 FRLDATOMMKEICO-UHFFFAOYSA-N 360.438 4.809 0 40 FJAB CC(C)C(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4353805 DMBZFZJWXJBAPL-UHFFFAOYSA-N 358.344 4.558 0 40 FJAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCc4ccccc4C3)n2)cc1 4757688 GPWFPLOPHNNPKI-UHFFFAOYSA-N 373.353 4.864 0 40 FJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc[nH]1 5040014 JDQRUCFBKFCWSB-UHFFFAOYSA-N 369.446 4.801 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1C 5341724 ODVPTOPJOOUODU-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB CC(=O)c1ccc(OC(=O)c2cc(Br)ccc2Cl)cc1 6514908 RKZNXVUIHTYKQE-UHFFFAOYSA-N 353.599 4.524 0 40 FJAB COc1cccc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc12 6625245 DBWYUAIQGKFSNN-UHFFFAOYSA-N 350.399 4.669 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 8478625 FLMYVHWOKATQSZ-KRWDZBQOSA-N 369.461 4.666 0 40 FJAB Cc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1Cc1ccccc1 8535895 PRCWQNUYEBGXLS-UHFFFAOYSA-N 374.868 4.754 0 40 FJAB CC[C@H](Sc1nc(C)nc2ccccc12)C(=O)N[C@H](C)c1ccccc1 9227604 SRALTXIYHBMTFY-KUHUBIRLSA-N 365.502 4.686 0 40 FJAB FC(F)(F)c1cc(SCc2nnnn2-c2ccccc2)ccc1Cl 9583468 VYHLQGYYBIAQPL-UHFFFAOYSA-N 370.787 4.627 0 40 FJAB COCCNc1oc2c(c1-c1ccc(C)cc1)c(=O)oc1ccc(C)cc12 11614792 BJLOJSROCSEAGE-UHFFFAOYSA-N 363.413 4.881 0 40 FJAB O=C(C[C@@H](C(=O)c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 12531174 YKTJUXCDHSIMIO-SFHVURJKSA-N 354.409 4.802 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 12561925 ACBNQHVKSCSTTN-ZDUSSCGKSA-N 358.869 4.585 0 40 FJAB Cc1nc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2o1 12752336 UGHZMMGKLSOHGA-UHFFFAOYSA-N 365.614 4.804 0 40 FJAB CCc1cccc(C)c1NC(=O)c1cccc(OCc2cscn2)c1 12972156 XABZFZKWBNITER-UHFFFAOYSA-N 352.459 4.845 0 40 FJAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 13142197 AHZUCLYTAPMAGO-SJORKVTESA-N 367.798 4.887 0 40 FJAB Cc1cccc(NC(=O)CSc2nccc(-c3ccc(C)c(C)c3)n2)c1 15829383 RKXKFSAKQUOLDV-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB Cc1cc2occ(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)c2cc1C 17526599 ZHUXJGIRMBHMNV-UHFFFAOYSA-N 362.433 4.556 0 40 FJAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccccc1Cl 19928249 JEIKMGWZNUHJGS-UHFFFAOYSA-N 373.865 4.609 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20456226 LLAPMEBNHUJUCH-MRXNPFEDSA-N 369.461 4.701 0 40 FJAB O=C(Nc1cccc(Br)c1)c1cccnc1NC1CCCCC1 22072640 TUFNISLAMXACPW-UHFFFAOYSA-N 374.282 4.841 0 40 FJAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nc(C(C)C)no3)c2n1 29137652 KGNIZJDLBNGCFB-UHFFFAOYSA-N 352.221 4.935 0 40 FJAB Cc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n1 32714808 FGUWCBQSQRLBDJ-UHFFFAOYSA-N 358.397 4.968 0 40 FJAB OC1=Nc2c(ncn2-c2ccc(C(F)(F)F)cc2)[C@@H](c2cccc(O)c2)C1 36365406 MRWKGWAEQPGPCV-OAHLLOKOSA-N 373.334 4.720 0 40 FJAB O=C(Nc1ccccc1N1CCCC1)c1csc(-c2cccs2)n1 36784271 LMJZXGCJJWQRMN-UHFFFAOYSA-N 355.488 4.724 0 40 FJAB O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 40106715 GSUOJZHENJONOV-UHFFFAOYSA-N 364.832 4.522 0 40 FJAB COc1cc(CN(C)Cc2nc3ccccc3s2)ccc1OC(F)F 40161840 GMJHLNVNBAWKBM-UHFFFAOYSA-N 364.417 4.538 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2c(F)cccc2F)C1 40285333 BWASDEGBHVCGIN-SNVBAGLBSA-N 361.298 4.552 0 40 FJAB CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(-c2nnco2)c1 49651949 JZVBRKGJBLUASV-UHFFFAOYSA-N 370.412 4.757 0 40 FJAB C[C@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 58026840 QNPGAYSBDFKJNK-NSHDSACASA-N 371.836 4.757 0 40 FJAB Cc1ccc(Nc2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)cc1C 58165949 BFNFCAZADGBHJB-UHFFFAOYSA-N 351.431 4.615 0 40 FJAB COCCN(Cc1csc(-c2ccc(C)o2)n1)[C@H](C)c1ccccc1 58298055 PYXBFWXMJOEIHO-MRXNPFEDSA-N 356.491 4.921 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)cc1 59471928 FTWKAHNMFAZJKS-MDWZMJQESA-N 357.881 4.846 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCSc2ccccc21 69616216 ARFVRIOLZPZOPQ-UHFFFAOYSA-N 364.470 4.722 0 40 FJAB Fc1ccc(-c2ccc(CNC[C@H]3CCN(c4ccc(F)cc4)C3)o2)cc1 84419521 NLEREQXTQDLIOX-MRXNPFEDSA-N 368.427 4.841 0 40 FJAB O=C(NCC1CCCCCCC1)N1CCC([C@H](O)c2ccccc2)CC1 84522194 WLYQSGQZBWUHGM-OAQYLSRUSA-N 358.526 4.502 0 40 FJAB COc1ccc(-c2c(C)nn3c(O)c(Cc4ccc(C)cc4)c(C)nc23)cc1 102716142 WCGSDMDMUODAEM-UHFFFAOYSA-N 373.456 4.627 0 40 FJAB CC[C@@H]1CCc2c(c(-c3ccccc3)nc3[nH]n(-c4ccccc4)c(=O)c23)C1 170622723 VBIWSLSCRHILFI-MRXNPFEDSA-N 369.468 4.896 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219320501 CAIFLVNXAGBFKK-IAGOWNOFSA-N 373.880 4.916 0 40 FJAB Cc1cccc(CSCC(=O)NCCSc2ccc(Cl)cc2)c1 222735373 UEIHMYTZBQFTKZ-UHFFFAOYSA-N 365.951 4.790 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3Cl)s2)cc1 223978750 WJCNRDFMBPZSEZ-UHFFFAOYSA-N 357.866 4.738 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224162750 BRVOMOAXLGVXQV-CQSZACIVSA-N 361.869 4.846 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1C1CCCC1 225005590 HBMLTECTURYZBU-HOTGVXAUSA-N 363.939 4.712 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3ncccc3C)CCCC2)cc1 225871997 RGDCIDLKPDFNDV-UHFFFAOYSA-N 355.507 4.545 0 40 FJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 408628920 YDUYWPRBTJASLK-UHFFFAOYSA-N 372.799 4.794 0 40 FJAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 408680565 NNJZCXVFOIOMJC-UHFFFAOYSA-N 370.518 4.921 0 40 FJAB CCOC(=O)/C=C(\C)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 755041 WXYFOTMVSWRZFZ-HVJHFUJKSA-N 358.438 4.505 0 40 FJAB C[C@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 1437116 NFAFGZCSZZBINO-WZONZLPQSA-N 356.469 4.927 0 40 FJAB CC1(C)CSC(N(CC(=O)c2ccc(Cl)cc2)c2ccccc2)=N1 4614481 PVWACZDCADBSGZ-UHFFFAOYSA-N 358.894 4.911 0 40 FJAB Cc1ccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 4858930 PIFVZANNSIAESL-MRXNPFEDSA-N 364.518 4.756 0 40 FJAB CCOc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 4908148 VZZTUZKLYWXFJM-VQIMIIECSA-N 358.825 4.508 0 40 FJAB O=C(CCc1nc2ccccc2s1)Nc1ccc(Br)cc1 6402703 DKUPMTSLQBPULR-UHFFFAOYSA-N 361.264 4.630 0 40 FJAB CCN(CC)Cc1nc(N[C@@H](C)c2ccccn2)c2c(C)c(C)sc2n1 6589376 OSRJPMDVMJGQGH-AWEZNQCLSA-N 369.538 4.718 0 40 FJAB Cc1occc1-c1nnc(SCCSc2ccc(Cl)cc2)n1C 7236619 ZDDBSHPVHOXZCO-UHFFFAOYSA-N 365.911 4.921 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7294666 GMMVBZMVCZPICD-LLVKDONJSA-N 355.381 4.833 0 40 FJAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(F)(F)F)c3)nc2c1 8053919 YHBODUDIISLEBH-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB Cc1nc2cc(C(=O)Nc3cc(F)ccc3F)ccc2n1-c1ccccc1 8708471 QWMWLZRNKRPJCX-UHFFFAOYSA-N 363.367 4.864 0 40 FJAB CCOc1cccc2cc(C(=O)Nc3nc(-c4ccncc4)cs3)oc12 8960807 LQWXYLJIZYKZGI-UHFFFAOYSA-N 365.414 4.602 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccccc2)CC1 9062777 PDBQACPZLBOBQA-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 9062900 WPMQUYATAFHKOQ-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1Br 9314138 BTOHOOXDJNRCHJ-UHFFFAOYSA-N 360.129 4.600 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3c(C)noc3n2)s1 10641992 ZENVSGDKSAFQQO-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB Cc1cc(C)c2cc(CNc3ccc(N4CCCCC4)cc3)c(=O)[nH]c2c1 12088263 MPBARIIQXWQNPQ-UHFFFAOYSA-N 361.489 4.747 0 40 FJAB Cc1ccc(NC(=O)CCn2ccc3ccccc32)c(Br)c1 12564983 PZKVZXRFOUFPBN-UHFFFAOYSA-N 357.251 4.741 0 40 FJAB Cc1ccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 12980504 MBCOQTSCKUJAAC-UHFFFAOYSA-N 371.864 4.574 0 40 FJAB COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)cc2)CCCC1 12995427 CFVHXSVIFXEGIA-UHFFFAOYSA-N 357.881 4.819 0 40 FJAB Cc1cc2occ(CC(=O)NC3CC(C)(C)NC(C)(C)C3)c2cc1C(C)C 13017864 LRXMMRNTLDONDC-UHFFFAOYSA-N 370.537 4.833 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2ccccc2)cc1 13674033 MHPNFTJMVGDIIC-QFIPXVFZSA-N 350.506 4.738 0 40 FJAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 13958960 VQYQRYXMTAHAHL-UHFFFAOYSA-N 358.441 4.781 0 40 FJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc2ccccc12 15577718 HIJRKEPNPLJRGR-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2cc3c(cc2C)OCO3)nc1 19215459 IHCNLUOPCIWXGA-LJQANCHMSA-N 366.486 4.562 0 40 FJAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2sc(-c3ccccc3)nc2C)cc1 27529354 AJTHKYZZGSETAH-HNNXBMFYSA-N 365.454 4.855 0 40 FJAB COc1cc2c(cc1NC(=O)[C@@H](C)OCC(F)(F)F)oc1ccccc12 31675113 LKORWCGUOCXTCF-SNVBAGLBSA-N 367.323 4.501 0 40 FJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccccc1Cl 32610097 OLHHQCIHWDPFDN-UHFFFAOYSA-N 357.816 4.593 0 40 FJAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc(Cl)c1O 32666137 SLJDXBYNIOUXLT-LJQANCHMSA-N 374.868 4.667 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCCC[C@H]2c2cccn2C)c1 32841737 AJUWFQRWDZRCSU-NRFANRHFSA-N 368.521 4.980 0 40 FJAB CCCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38858889 JQPJFWBHGTYNIN-CQSZACIVSA-N 357.325 4.512 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N(C)C(C)C)c(F)c2)c(C)c1 40152959 VUDWSCTYEOVLHA-INIZCTEOSA-N 357.473 4.726 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCC2)nc1 72216038 HPOSJKLJZDDIMI-FQEVSTJZSA-N 365.477 4.546 0 40 FJAB CC1=NN(c2ccc(C(=O)N[C@@H](C)c3oc4ccccc4c3C)cc2)CC1 84068158 LYBYMMLFVSNARK-INIZCTEOSA-N 361.445 4.818 0 40 FJAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1coc(-c2ccccc2)n1)CC3 95466065 SMFROKVGBGFDGB-KRWDZBQOSA-N 357.457 4.778 0 40 FJAB Cc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4F)cc23)cs1 96062744 KBWDVTXGMQADNG-UHFFFAOYSA-N 371.368 4.790 0 40 FJAB O=C(Nc1ccc(OC(F)F)cc1)Nc1ccccc1Br 96171034 ODDLNEMHOMIYMU-UHFFFAOYSA-N 357.154 4.695 0 40 FJAB COc1ccccc1[C@@H](CCN[C@@H]1CCO[C@H](C(C)C)C1)c1ccco1 103458781 ADZJVPMVUQQIJT-JUXOCIIHSA-N 357.494 4.603 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc2O1 224346794 YKNCXQRKWLOIBM-XLIONFOSSA-N 367.489 4.961 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Br)c1 224772805 QZDFCKGREYNFNK-ZDUSSCGKSA-N 374.278 4.734 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966370 HDMCESZGINELDS-NRFANRHFSA-N 352.478 4.781 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccccc2C)no1 225816828 FDINHJOMEILUJW-UHFFFAOYSA-N 363.461 4.741 0 40 FJAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225838399 HVYBWULCUBXKMV-QGZVFWFLSA-N 355.478 4.601 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225885577 GDHOHRBIMQKGLI-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB O=c1c2ccccc2c(Cc2ccccc2)nn1Cc1ccccc1Cl 226864407 NMQHVDPIMDNASA-UHFFFAOYSA-N 360.844 4.689 0 40 FJAB CC1(C)C[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]2N1c1cccc(F)c1 1615126160 IXFKQQAOICGZFA-UTKZUKDTSA-N 356.460 4.844 0 40 FJAB COc1ccc(CN2CCc3c(Cl)ccc(Br)c3C2)cc1 1620629113 JAIHQKOGBOHNBV-UHFFFAOYSA-N 366.686 4.669 0 40 FJAB Cc1ccc(SCCC(=O)Nc2ccccc2Br)cc1 638202 XVEFATOYDIPIFP-UHFFFAOYSA-N 350.281 4.878 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccco2)nc2ccccc12 3244557 SSSBWEAOWRDHSF-UHFFFAOYSA-N 372.380 4.518 0 40 FJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2ccc(Cl)cc2o1 3407141 CEPPNJBXOSVDAR-NTZNESFSSA-N 352.887 4.514 0 40 FJAB C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 3422367 HKUHRRTZLCZBIG-GFCCVEGCSA-N 369.804 4.628 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 4177070 WZAITGKPQZOWRW-UHFFFAOYSA-N 357.624 4.858 0 40 FJAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3s2)cc1 4182919 KFXMBFCAHKMHOR-UHFFFAOYSA-N 369.449 4.971 0 40 FJAB Cc1nn([C@@H](C)c2ccccc2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 4671044 HYRNMHWKPGYXFR-MGPUTAFESA-N 363.486 4.576 0 40 FJAB COc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CC[C@H](C)C4)c1 4749071 GYTXAPZKDUPMDR-AWEZNQCLSA-N 364.441 4.814 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccc(Cl)cc1 5002043 JOHQQRNKXCGBFY-CQSZACIVSA-N 354.837 4.746 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 5083854 HPWYZJVFGKWHPT-UHFFFAOYSA-N 363.442 4.714 0 40 FJAB Cc1ccc(Nc2nc(COC(=O)c3c(F)cccc3F)cs2)cc1 5401939 FSRDZJKHPSZQJA-UHFFFAOYSA-N 360.385 4.830 0 40 FJAB COc1cc(C)c(NC(=O)Cc2ccc(Cl)cc2Cl)cc1OC 5616873 RJDJKVKRQNEZON-UHFFFAOYSA-N 354.233 4.500 0 40 FJAB COc1cc(C)c(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 5616878 UFNCWAMRFSOZMJ-BQYQJAHWSA-N 365.351 4.683 0 40 FJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c1C 6214146 DODVWIQPHMTMEE-QGZVFWFLSA-N 364.489 4.593 0 40 FJAB Cn1c(=O)cc([C@H]2O[C@H]3CCCC[C@@H]3c3sccc32)c2ccccc21 6667981 MZUCILPNLOGHPD-DCPHZVHLSA-N 351.471 4.746 0 40 FJAB Cc1ccc(C)c(-c2csc(NC(=O)COc3ccccc3F)n2)c1 6886571 QGTIISHMPWZNPK-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB Cc1cc2nc(N(C)Cc3c(F)cccc3Cl)c3ccccc3n2n1 7735842 WFFLLAFTBYCBKZ-UHFFFAOYSA-N 354.816 4.620 0 40 FJAB O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 8296305 KUOMUUIITQYKJB-FUHWJXTLSA-N 368.546 4.577 0 40 FJAB biogenic,in-vitro CC(=O)c1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8717272 XHRMPMKMSQEUBU-SBUREZEXSA-N 366.505 4.852 0 40 FJAB CCCCc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12579635 FKJUATDTCUCZHG-SFHVURJKSA-N 361.489 4.635 0 40 FJAB CCCCCc1nc2ccccc2n1CC(=O)N1c2ccccc2C[C@@H]1C 12604339 ACLOWWYOGXAZLD-KRWDZBQOSA-N 361.489 4.747 0 40 FJAB COc1ccccc1CNC(=O)c1ccccc1SCc1ccco1 12974185 YAQGMVXDNFIIQN-UHFFFAOYSA-N 353.443 4.511 0 40 FJAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 12995089 DRKODLMQGJSILO-LJQANCHMSA-N 364.533 4.972 0 40 FJAB O=C(NCCSCc1ccco1)c1ccccc1OCc1ccccc1 13687142 UPEKGTYCZFMNCL-UHFFFAOYSA-N 367.470 4.522 0 40 FJAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccnc1)O2 13750118 LOIOCQKUCGPGNZ-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)NCCCCOc1ccc(F)cc1 14171047 KFZXKZDORJUPBN-UHFFFAOYSA-N 370.251 4.650 0 40 FJAB CCOc1c(Cl)cc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cc1OC 15597706 SDKBKEHMEBYNSC-AYJWMTRPSA-N 373.880 4.980 0 40 FJAB O[C@@H](CNCc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 16477483 OZCZPJDQSKAQJD-QFIPXVFZSA-N 367.876 4.742 0 40 FJAB Cc1c(C(=O)Sc2nc3ccccc3o2)oc2c1C(=O)CC(C)(C)C2 16740212 JDDGZKYNEIFSOM-UHFFFAOYSA-N 355.415 4.817 0 40 FJAB O=C(C1[C@H]2CCCC[C@@H]12)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 19345737 QYYCSTCJWNHDNP-HTZLVSCSSA-N 355.478 4.513 0 40 FJAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc(F)cc1 21606199 OUMJCFZGWDMJKW-LLVKDONJSA-N 374.466 4.540 0 40 FJAB COc1ccccc1NC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 22072166 JIVAZAYLJNLRFV-UHFFFAOYSA-N 371.799 4.879 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N(C)C)nc3)c3ccccc3n2)o1 22394846 LQPDEOUHGGHHBC-UHFFFAOYSA-N 372.428 4.517 0 40 FJAB c1ccc2c(c1)N[C@H](c1ccncc1)N1CCc3c([nH]c4ccccc34)[C@@H]21 26456130 GRDHSQQRRZWWRP-PKTZIBPZSA-N 352.441 4.635 0 40 FJAB O=C(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1ccco1 32071314 RFABCSKTJVEZCJ-UHFFFAOYSA-N 359.259 4.724 0 40 FJAB CCN(CC)C(=O)Oc1ccc(C(=O)Nc2cccc3ccccc23)cc1 36698032 DBBOYOGYQMHYRR-UHFFFAOYSA-N 362.429 4.933 0 40 FJAB O=C(CSC(c1ccccc1)c1ccccc1)NCCc1ccccc1 36821161 MNBMUBKFFTXLIH-UHFFFAOYSA-N 361.510 4.868 0 40 FJAB Cc1ccc(C)c(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 38755230 VMTCYUWMWRVCAF-DEOSSOPVSA-N 359.469 4.896 0 40 FJAB Cc1cccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1C 41077036 JAUCKPUJAMSWSK-UHFFFAOYSA-N 363.461 4.587 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 41089895 PNOZASZWFUNBNJ-UHFFFAOYSA-N 369.852 4.626 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1F 44838348 XKPLXTOZAWFCBA-UHFFFAOYSA-N 361.376 4.630 0 40 FJAB CCn1c(C)cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1C 47345330 NXAMUWPDVJESET-UHFFFAOYSA-N 365.452 4.675 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1 49169970 OBRNVCUMXUJBGR-SFHVURJKSA-N 359.429 4.781 0 40 FJAB biogenic,in-vitro Cc1cc(NC(=S)Nc2ccc(F)cc2Br)ccc1F 71760612 SPGLHHBSHXLVMK-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccsc4)=NN32)cc1 75106821 OGJPUMGGXBKFIW-FPOVZHCZSA-N 362.454 4.999 0 40 FJAB Cc1oc(-c2cccs2)nc1C(=O)Nc1c(F)cc(Cl)cc1F 95460654 NLUDETXJXOSFKI-UHFFFAOYSA-N 354.765 4.895 0 40 FJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3C2CCCCC2)cc1 95480297 ZNRQHAZHUKMEPY-QGZVFWFLSA-N 371.462 4.527 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1F)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194634 FGRICAIZIHIJBY-PALQFPJUSA-N 355.384 4.960 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 102677192 ZRYSBUDQQKSPLI-HNNXBMFYSA-N 360.870 4.715 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)C2 107081682 DNGFTCAWJANLDA-BNLOLNQZSA-N 372.456 4.524 0 40 FJAB CCn1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc21 222586316 RLIJBQICBSXDDA-GKCIPKSASA-N 362.502 4.646 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219314 RVDNZLNLIRZFCF-IFXJQAMLSA-N 357.881 4.864 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1 224064549 VBAKIADQIKVPPT-JOCHJYFZSA-N 353.506 4.902 0 40 FJAB CCCCCNC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 224471879 LHDRMOVMCNSGAU-UHFFFAOYSA-N 355.478 4.893 0 40 FJAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224610874 CZKDCSGODFKJIM-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c2cccnc12 225539163 SXBLEBGOJJDKRR-OAHLLOKOSA-N 365.502 4.908 0 40 FJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 225671125 QJGIWFDPWFYQFQ-JOCHJYFZSA-N 353.462 4.799 0 40 FJAB Fc1ccccc1CN1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306140980 VICVUOPPEMAFEN-OAQYLSRUSA-N 372.447 4.873 0 40 FJAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408557824 QEJROUXSTSJXEM-INIZCTEOSA-N 354.258 4.781 0 40 FJAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 408601985 MRWFYGITBYIBIX-QGOAFFKASA-N 353.443 4.712 0 40 FJAB COc1ccc([C@@H](NC(=O)[C@@H](CC(C)C)n2cccc2)C(C)C)cc1OC 524733924 DZUNKZZWPJJZSG-NQIIRXRSSA-N 372.509 4.606 0 40 FJAB O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ncnc2ccsc12 1128917324 SRGJDTYBTKQYME-UHFFFAOYSA-N 357.744 4.616 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Oc2ccccc2)n1 1675082394 ZXLCGXBGSGYNLO-UHFFFAOYSA-N 372.428 4.719 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)Nc1c(F)cccc1F 1775977101 GADROFQPSRXTHZ-MRXNPFEDSA-N 374.412 4.548 0 40 FJAB O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccco1 644955 JGJSSJRNWHIBLM-SFHVURJKSA-N 350.805 4.925 0 40 FJAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 2887798 YXBHEHPFCZZCME-UHFFFAOYSA-N 365.502 4.655 0 40 FJAB CCCOP(=O)(OCCC)[C@@H](NC(=O)C(C)(C)C)c1ccccc1 3216963 CYBSTPMKQQBWII-MRXNPFEDSA-N 355.415 4.894 0 40 FJAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1OC 3561767 RMOQTBDWERKDMV-CMDGGOBGSA-N 373.836 4.602 0 40 FJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc(Cl)cc1 4602092 PSCILQFBUNYCCW-SNVBAGLBSA-N 362.813 4.893 0 40 FJAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256061 ZEFGJXSQRYRPFE-LJQANCHMSA-N 357.885 4.589 0 40 FJAB CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3ccccc3nc21 5501129 SPCGHLOTEQHISH-UHFFFAOYSA-N 374.444 4.646 0 40 FJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc2ccccc2c1 5980785 JDHDOEUERGBSHJ-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB COc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1 6274828 LLVNPHCMHNGQSD-UHFFFAOYSA-N 357.262 4.820 0 40 FJAB CC1(C)c2cc(F)ccc2N2CCC(=O)N[C@]21/C=C/c1ccc(Cl)cc1 6515423 BDBWWBDXFPIKIO-FKVRIVCVSA-N 370.855 4.506 0 40 FJAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 6859424 YDVGBLILESFJHW-SJKOYZFVSA-N 363.288 4.988 0 40 FJAB S=C(NCc1ccc(Cl)cc1)Nc1cccc(Br)c1 6969905 SHGSJIFVJNZAQI-UHFFFAOYSA-N 355.688 4.589 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 9062901 SDEHHEYZVAHXSK-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1cccc(C)c1OCCn1c(CN2CCCCC2)nc2ccccc21 9184788 BDCITPDMWCPVIH-UHFFFAOYSA-N 363.505 4.718 0 40 FJAB Cc1ccc(N(C(=O)c2ccc(C)c(C)c2)C(=O)N2CCCCC2)cc1 9317752 LLRYKZVCSWWCLC-UHFFFAOYSA-N 350.462 4.865 0 40 FJAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccc(Cl)cc1 9614629 PQDYQZCUHFUVFM-SFHVURJKSA-N 368.868 4.969 0 40 FJAB CC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(C)cc1 12999518 HZZLRCHESGORTB-MRXNPFEDSA-N 356.516 4.990 0 40 FJAB COc1ccc(CN(C(=O)Cc2coc3cc(C)c(C)cc23)C2CC2)cc1 13007534 BJMPJNCOJUPSFG-UHFFFAOYSA-N 363.457 4.792 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(Br)c1 14255864 VYQXPVCPVHBOLQ-UHFFFAOYSA-N 368.296 4.682 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c2cccnc12 15840815 WBERPEOCPAYSMM-INIZCTEOSA-N 364.445 4.656 0 40 FJAB Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3ccccc3s2)n1 16851040 HOAXIRXCONLLRJ-UHFFFAOYSA-N 374.425 4.789 0 40 FJAB CC(C)N(CC[C@H](c1ccccc1)c1cc(C(=O)O)ccc1O)C(C)C 22054148 NKTNTJFTBRPQIZ-LJQANCHMSA-N 355.478 4.731 0 40 FJAB in-vitro Brc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 22852719 KHPXBRWXMRTKRV-HNNXBMFYSA-N 370.294 4.705 0 40 FJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1ccccc1 22877725 WNATTXRLVDEGEA-KDOFPFPSSA-N 374.278 4.580 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1ccn(Cc2cccc(C)c2)n1 27916372 MTJNXICUBLXXGD-UHFFFAOYSA-N 370.840 4.546 0 40 FJAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221094 MRKUUMRIUUNSFV-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(Oc3cnccn3)c2)o1 33137311 RJTXBGYLDWWPJF-SFVKERMGSA-N 361.401 4.637 0 40 FJAB Cc1ccccc1-c1csc(NC(=O)CCCc2nc(C(C)C)no2)n1 40133854 NBBUIQLWVRQIFO-UHFFFAOYSA-N 370.478 4.586 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 40160366 CWBMSPNKBULKEM-UHFFFAOYSA-N 364.445 4.696 0 40 FJAB Cc1ncc(NC(=O)C2CCCC2)n1-c1nc(-c2ccc(F)cc2)cs1 41124338 YJUZTHWPHWPKAD-UHFFFAOYSA-N 370.453 4.572 0 40 FJAB CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1cccs1 48311919 HHSDMBKIZHUMTA-MRXNPFEDSA-N 373.478 4.614 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccccc1Cl 49544469 RAIGZYDUVIOBCR-HNNXBMFYSA-N 367.836 4.717 0 40 FJAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCC[C@@H]1C1CCCCC1 58130383 XYDPJFYKYGDATC-HXUWFJFHSA-N 368.546 4.848 0 40 FJAB CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N 72229196 IVLCEFBYDIFHOG-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB Cc1c(C(=O)N2CCc3c(CN4CCCC4)cccc32)oc2c(C)cccc12 72306394 RCRZYCLVILZBPU-UHFFFAOYSA-N 374.484 4.848 0 40 FJAB Fc1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1 72348855 VWXPCEIPDOYSJH-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3)n2)n1 72375103 OZFFTBSOIXIZSJ-FQEVSTJZSA-N 359.477 4.569 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccccc4F)C3)o2)s1 72390091 HMUYDNZUYYWMCB-OAHLLOKOSA-N 357.454 4.625 0 40 FJAB COc1ccc(-c2cc(O)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cc1 102677417 IUPXWQGFUURTLJ-UHFFFAOYSA-N 365.820 4.739 0 40 FJAB O=C(NC1CCN(C2CC2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1F 106734329 QLFBFNLWQJCRFN-UHFFFAOYSA-N 372.871 4.503 0 40 FJAB Brc1ccccc1-c1ccccc1I 113641376 OUIGKVGELUUMGW-UHFFFAOYSA-N 359.004 4.721 0 40 FJAB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(=O)O)cc1 149579142 OJJLAPIKUAOGNZ-UHFFFAOYSA-N 356.219 4.913 0 40 FJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)CCS1 207002967 UOHKIQJZLZFFPI-SFHVURJKSA-N 368.527 4.925 0 40 FJAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(/C=C/c2ccncc2)c1 222373672 UKPOQKVKOLGRLW-FVTBZGPOSA-N 362.454 4.665 0 40 FJAB COc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 224956278 JNOMFJCANQUDJL-LJQANCHMSA-N 365.473 4.960 0 40 FJAB Cc1ccc(-c2cc(C)nc(SCc3cccc(C(=O)O)c3)n2)cc1 409386399 SZCCXPFLGYPSNP-UHFFFAOYSA-N 350.443 4.751 0 40 FJAB CCCCOc1ccc(Br)cc1-c1nc(O)c2ccccc2n1 575410793 ALEYUDQNMVVWMT-UHFFFAOYSA-N 373.250 4.944 0 40 FJAB c1nnc(-c2ccc(-c3noc(CC(C4CCC4)C4CCC4)n3)cc2)o1 624578406 LQIUDXQXWSGGHA-UHFFFAOYSA-N 350.422 4.546 0 40 FJAB Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)c(Br)cc1F 1204914206 CHDVAHUQOOKZGC-GFCCVEGCSA-N 352.247 4.795 0 40 FJAB Fc1ccccc1[C@H]1SCCN1C(=S)Nc1ccc(Cl)cc1 716952 FMKYSKSHPOIZQY-OAHLLOKOSA-N 352.887 4.924 0 40 FJAB CN(C)c1nn(C(=S)Nc2ccc(Cl)cc2)cc1-c1ccccc1 1384678 AWUQWKDGAPUCHB-UHFFFAOYSA-N 356.882 4.515 0 40 FJAB Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br 1403903 ZXDFICLWNXZJTN-UHFFFAOYSA-N 362.174 4.548 0 40 FJAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1C 2625673 KMCCTSLLOIBUJX-UHFFFAOYSA-N 365.502 4.691 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(Cl)cc1 3272470 ASBPQOBYWVLACW-UHFFFAOYSA-N 353.230 4.865 0 40 FJAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3399601 UWBUHAQXUYQJJP-UHFFFAOYSA-N 370.758 4.612 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 3611568 FXBKODNGTJDRKI-UHFFFAOYSA-N 352.203 4.628 0 40 FJAB CCCCCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O 3669416 XLKHXKJWAKHIEJ-JXAWBTAJSA-N 353.393 4.739 0 40 FJAB CCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1 3893413 YKJQGCBNBWKEDQ-UHFFFAOYSA-N 355.463 4.810 0 40 FJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2)N3)C1 4553967 TWCWGJZBRRFOSJ-INIZCTEOSA-N 361.898 4.597 0 40 FJAB CCc1ccc(N(CC(=O)c2ccccc2)C2=N[C@H](CC)CS2)cc1 4619584 FMGAPOHJJLWQAD-GOSISDBHSA-N 352.503 4.820 0 40 FJAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccccc1F 4854320 RBZGRCDTXHHKHG-IBGZPJMESA-N 371.362 4.543 0 40 FJAB CCSc1nnc(SCc2cc(=O)oc3c(C)c(C)ccc23)s1 5450422 IPCDFMDSDZIFJF-UHFFFAOYSA-N 364.517 4.666 0 40 FJAB Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1N1CCCCC1 6547629 PASRBZGPFUCHTA-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB O=C1C[C@@H](C(=O)N(C2CCCCC2)C2CCCCC2)[C@@H](c2ccccc2)O1 6646119 HAWMNJXPWCLHCI-IFMALSPDSA-N 369.505 4.785 0 40 FJAB Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccs2)c1 6679142 DQWUERNETXNJQS-SUMWQHHRSA-N 369.515 4.714 0 40 FJAB Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)c(Cl)c1 6876601 VJVUAEHPYSBQLZ-UHFFFAOYSA-N 362.838 4.520 0 40 FJAB Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C 7915133 KOPHTHBESJLCTB-QFIPXVFZSA-N 372.468 4.803 0 40 FJAB CCC(=O)Nc1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1 8298725 KGYZBIAJMMXMFE-UHFFFAOYSA-N 355.438 4.910 0 40 FJAB CCCCCC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 8902720 XACRFWBTXHUHHG-UHFFFAOYSA-N 357.435 4.660 0 40 FJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C)ccc2C)c1 9315779 MHTSFGSKMMHOSI-UHFFFAOYSA-N 366.490 4.562 0 40 FJAB CC(C)c1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 9436294 ITSRCBDMXPOGSM-UHFFFAOYSA-N 368.408 4.759 0 40 FJAB COc1cccc2cc(-c3csc(NC(=O)c4ccccc4)n3)oc12 10747434 XKRSJLOCWTUPRW-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccccc3F)cc(-c3ccccc3)nc21 11327563 MBGKCLJJXISDLW-UHFFFAOYSA-N 360.392 4.510 0 40 FJAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCC[C@@H]1c1ccccc1 12786944 RAKNCSBIZFWSNG-JKIKYLSZSA-N 362.502 4.906 0 40 FJAB COc1ccccc1NC(=O)N1CCC(CCc2ccc(C)cc2)CC1 12793842 CAYTUFKIRPBPPB-UHFFFAOYSA-N 352.478 4.880 0 40 FJAB COc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC 13524955 JWHMRMLZXWDBCZ-UHFFFAOYSA-N 372.420 4.846 0 40 FJAB O=C1CN(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2N1 13717249 AJKJVZSWHMGNMH-UHFFFAOYSA-N 373.437 4.868 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2ccccc2)no1 22461993 JZHAUWUBTZWMTK-OUKQBFOZSA-N 357.369 4.649 0 40 FJAB CCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OC(F)F 22771772 ACJCYVLMRZWNHX-UHFFFAOYSA-N 360.404 4.500 0 40 FJAB COc1cc(CN[C@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C 22773727 ZIKMGVKDGDHWAM-LIRRHRJNSA-N 358.482 4.547 0 40 FJAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12 29073509 IRIBSNDUGLZBCI-OAHLLOKOSA-N 374.469 4.540 0 40 FJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(C2CC2)cs1 30637728 BFCRDYLKYXDJFM-UHFFFAOYSA-N 373.478 4.768 0 40 FJAB O=C(CCC1CCCC1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817229 WXJZXMVPMJQOLR-UHFFFAOYSA-N 351.372 4.800 0 40 FJAB Cc1csc(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)n1 35288875 DNZYRQMIXCKISK-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)c(C)c1 36617348 REQBABFUPZVKSR-UHFFFAOYSA-N 363.417 4.547 0 40 FJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 51356045 CZUJESIUCHZZHM-UHFFFAOYSA-N 363.816 4.572 0 40 FJAB O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCc2cc(F)ccc21 56841467 UQUGHKZAYBDZSZ-QGZVFWFLSA-N 353.422 4.758 0 40 FJAB Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@H]3CCc3ccccc3)c2)cs1 57305864 DDCOKGQUAWNKFY-SFHVURJKSA-N 365.502 4.684 0 40 FJAB CCC(=O)Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 57316119 HIPMCBKINIZNCR-UHFFFAOYSA-N 365.414 4.643 0 40 FJAB C[C@H](N[C@@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1 57668149 OEZUAWCNUBDECT-LIRRHRJNSA-N 354.450 4.593 0 40 FJAB COc1ccc(C)cc1NC(=O)CN[C@H](c1ccccc1)c1ccc(C)cc1 57882070 UGKVRJYVKUMVAA-XMMPIXPASA-N 374.484 4.630 0 40 FJAB O=C(Nc1cccc(OC(F)F)c1)c1cc(-c2cccc(Cl)c2)on1 58419468 IHNYKXIDXDOSCZ-UHFFFAOYSA-N 364.735 4.849 0 40 FJAB COc1ccc(N(C(=O)c2ccc(Cl)nc2Cl)[C@@H](C)C2CC2)cc1 60306538 WCIGHHFOLOGJSV-NSHDSACASA-N 365.260 4.842 0 40 FJAB Cc1ccc2nc(C)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)n2c1 71468778 GOMYHYQTBIIMHQ-UHFFFAOYSA-N 369.468 4.794 0 40 FJAB CC(C)c1nc2ccc(N[C@@H](C)C(=O)Nc3cccnc3Cl)cc2s1 84631206 ZHDYYSSLLZQETM-NSHDSACASA-N 374.897 4.907 0 40 FJAB C[C@H]1CN(c2ccccc2NC(=O)NC2CCCCCCC2)C[C@H](C)O1 84713895 QFKYFZORVHWIKS-IRXDYDNUSA-N 359.514 4.535 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96115926 BWVJZOQCRCAVJO-FQEVSTJZSA-N 361.420 4.525 0 40 FJAB biogenic Clc1ccc(CSC2=C(/C=C/c3ccn[nH]3)N3C=CS[C@H]3N2)cc1 96190133 RXLLQBQAELOFTI-RTRPANQVSA-N 374.922 4.586 0 40 FJAB Cc1ccccc1CN1CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 96214634 XACGGAMDZYBJDK-QHCPKHFHSA-N 363.505 4.658 0 40 FJAB O=C(NCc1cccs1)c1ccc(OCc2ccc(Cl)cc2)cc1 98086542 RVKMGONGKPYTFX-UHFFFAOYSA-N 357.862 4.911 0 40 FJAB C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103012775 PGISDGAAJMGOBF-VZRKHXGSSA-N 367.464 4.959 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 222676448 LOPYTQIAGZDLNA-SFHVURJKSA-N 353.506 4.820 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223329582 WWPNITARTSZSPM-KRWDZBQOSA-N 369.505 4.946 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 223483117 BXTZZJRQRXSFQK-UHFFFAOYSA-N 364.489 4.665 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)CCSc2ccc(Cl)cc2)c1 223979606 IBCCKPPHBOFGSS-UHFFFAOYSA-N 363.910 4.634 0 40 FJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1cccc(Cl)c1 224289861 KIYQFOBTKOMZRY-UHFFFAOYSA-N 358.760 4.705 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COCC(C)C 224454322 DDVYSEKEIHILNS-UHFFFAOYSA-N 359.491 4.842 0 40 FJAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COC(C)C 224713690 CQWPTPYOYRJQJX-UHFFFAOYSA-N 361.869 4.594 0 40 FJAB CCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225860632 XZDNXSRCPLYBOO-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB Cn1cccc1CN(C(=O)c1ccc2nc(Cl)sc2c1)C1CCCC1 225982288 OKJLXRCPCSAPFV-UHFFFAOYSA-N 373.909 4.873 0 40 FJAB CCCCn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OC 257231073 GFBXEPSTOFEYCM-UHFFFAOYSA-N 350.418 4.724 0 40 FJAB CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[nH]2)cc1 534783889 SFRCJYOHEUXGCF-NRFANRHFSA-N 360.457 4.629 0 40 FJAB O=C(CCCCCn1cccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 604419052 QMZDTZPRZOCXAL-UHFFFAOYSA-N 369.896 4.768 0 40 FJAB CO[C@@H]1CCCN(C(=O)NCc2ccccc2Sc2ccccc2)CC1 679970609 KPSQTPSSUOWGHG-GOSISDBHSA-N 370.518 4.548 0 40 FJAB Cc1ccccc1-n1nc2c(c1NC(=O)CC1CCCCC1)CSC2 1554499838 YZDGYMKJBAGODQ-UHFFFAOYSA-N 355.507 4.836 0 40 FJAB CC[C@@H](c1ccc(F)cc1)c1nnc(-c2cccc([C@@H]3CCOC3)c2)o1 1615547658 UZIAXPIZEFDYMT-MJGOQNOKSA-N 352.409 4.922 0 40 FJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 632714 QVJPARKVJOTKPJ-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2ccccc2F)s1 856273 MOINITXIMRCGMN-UHFFFAOYSA-N 373.796 4.848 0 40 FJAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccccc1Cl 1332610 XIIGTSDVNAOWPT-UHFFFAOYSA-N 369.877 4.891 0 40 FJAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)O[C@H](C)CC)c3C)C2)cc1 1422020 YBSQWUNMMYRDHT-CZUORRHYSA-N 369.461 4.590 0 40 FJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)c1 2723100 DKOWAQXPHBGQJA-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB O=C(NCc1ccccc1)c1ccc(COc2cccc3ccccc23)o1 2753071 UHHFBHOWAHGCBL-UHFFFAOYSA-N 357.409 4.942 0 40 FJAB Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(OCc2ccccc2)cc1 2944881 XPXAVDOWNNEDMW-UHFFFAOYSA-N 358.397 4.611 0 40 FJAB COC(=O)c1ccc(COC(=O)c2sc3ccccc3c2Cl)cc1 3251867 NOLXFXPEARIEMD-UHFFFAOYSA-N 360.818 4.698 0 40 FJAB Cc1cccc(CSC2=NCCN2C(=O)c2ccc(OC(C)C)cc2)c1 4120188 VVNYSWOCFDCMDK-UHFFFAOYSA-N 368.502 4.527 0 40 FJAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cn(C)c4ccccc24)N3)C1 4125399 YQFYSKHJHLGLSP-VOJFVSQTSA-N 351.475 4.794 0 40 FJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C1CCCCC1 4305545 NHHBUFIBIRHIKR-LJQANCHMSA-N 354.519 4.548 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 4556151 BFUQMMQBRKJPQA-SFHVURJKSA-N 369.534 4.853 0 40 FJAB COc1ccc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 4822321 ROGVRUPCLDFQJF-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cccnc1 5769372 MCXOSOVELXDDHS-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB CC(C)(C)c1ccc(C2=Nc3ccc(F)cc3C(c3ccncc3)=NN2)cc1 6075416 UVYQYQNJFDAWKI-UHFFFAOYSA-N 372.447 4.952 0 40 FJAB CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 7008859 NSCTYQQNNJJVGX-GZIVZEMBSA-N 373.762 4.607 0 40 FJAB CCOc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 7781804 NBEOWDPPBHSBLZ-INIZCTEOSA-N 351.450 4.637 0 40 FJAB Cc1ccc2c(CN(Cc3ccccc3F)C3CC3)cc(=O)oc2c1C 7858095 GVZGUDCWOWZWQN-UHFFFAOYSA-N 351.421 4.714 0 40 FJAB COc1ccc(-c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)cc1 8715088 NMQHJSQTSCREKD-NYYWCZLTSA-N 368.849 4.685 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1C 9320913 SIPJHJCMANRXLG-AWEZNQCLSA-N 367.836 4.527 0 40 FJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccc(F)cc1 9355714 BXISBIORNLRPQT-LJQANCHMSA-N 361.376 4.769 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C)c1 10446245 SAQKDPVBZGBXHQ-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB Cc1ccc(CC(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 10699104 XLOKPJDBEZVOSA-UHFFFAOYSA-N 373.481 4.776 0 40 FJAB CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 10918289 FSRQWCXNQHINNV-SFHVURJKSA-N 356.853 4.570 0 40 FJAB O=C(Oc1ccc2c(Cc3ccc(Cl)cc3)noc2c1)c1ccncc1 11854283 HTVCCWWEMADFET-UHFFFAOYSA-N 364.788 4.686 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3Cl)cs2)cc1 12774294 CWOMMXDXSUAGFS-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3ccccc3)cc2)o1 12783354 BZPAIMUOAFPWOO-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2)no1 12935467 XZEYDFNNUHHQHI-UHFFFAOYSA-N 359.838 4.576 0 40 FJAB CC(=O)N[C@@H](CSC/C=C(/C)CC/C=C(\C)CCC=C(C)C)C(=O)O 13536950 XTURYZYJYQRJDO-LPPXFBAKSA-N 367.555 4.728 0 40 FJAB in-vitro Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 13672472 KHGCFKCGEWESAG-CYBMUJFWSA-N 372.317 4.791 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cc1Cl 14246393 TXWNVCYCJPREBA-LJQANCHMSA-N 354.837 4.551 0 40 FJAB CCc1ccc(-c2[nH]nc3nc(-c4ccc(F)cc4)cc(C(=O)O)c23)cc1 20492340 OUQUAMKZYXLKMS-UHFFFAOYSA-N 361.376 4.692 0 40 FJAB C[C@]1(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1(Cl)Cl 22190618 MLPNKRPFNAGYKY-OAHLLOKOSA-N 366.273 4.814 0 40 FJAB CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc12 22890429 OPGGSIPXCDIUTI-MRXNPFEDSA-N 358.507 4.561 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3F)n2)cc1 23392147 INPMCJHQVWILBQ-UHFFFAOYSA-N 353.397 4.570 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@H]2CCCO2)c1 26244629 FRNGMFIKRCQYOK-QGZVFWFLSA-N 366.244 4.804 0 40 FJAB CCCCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 33088932 HLWBQCVBJBNCBV-HNNXBMFYSA-N 360.457 4.714 0 40 FJAB Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(-c2cccs2)cs1 40070027 HDXLYIDRLIHXFK-UHFFFAOYSA-N 353.472 4.843 0 40 FJAB COc1ccc(-c2nc(CN(C)Cc3ccccc3F)cs2)cc1OC 57851614 VILPZFBZVSJJPC-UHFFFAOYSA-N 372.465 4.598 0 40 FJAB O=C(Nc1cc(F)ccc1C(=O)NC1CCCCCCC1)c1ccoc1 58357420 UTZAZUULSPGUPC-UHFFFAOYSA-N 358.413 4.514 0 40 FJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1(C)CCCC1 58364433 BOOOJWIVESACAR-UHFFFAOYSA-N 360.454 4.510 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(C(C)C)s2)cc1 58431036 BXDKCGAKVUTBMF-INIZCTEOSA-N 374.510 4.819 0 40 FJAB CC1(C)COC2(CCC3=C(CC[C@H]4C3=CC[C@]3(C)C(=O)CC[C@@H]43)C2)OC1 95092860 IJHCQNUMWSPJQN-IPJJNNNSSA-N 356.506 4.962 0 40 FJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCC1 100424344 ASINGMBUBPAYSM-OALUTQOASA-N 357.567 4.610 0 40 FJAB C[C@@H](NC(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103353114 DVTHFBWCYCKFML-GKBFQHABSA-N 373.500 4.639 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221065 JDXZTYRFYNPTFU-LAUBAEHRSA-N 351.490 4.827 0 40 FJAB COc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1Cl 225124287 WSDZMJDBJALFTC-HNNXBMFYSA-N 357.258 4.790 0 40 FJAB S=C(NCc1cccnc1)Nc1ccc(CSc2ccccc2)cc1 225331346 GEPXKFNEXDFLRJ-UHFFFAOYSA-N 365.527 4.861 0 40 FJAB Cc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)c(Cl)c1 226271781 XYAYKPIDOKECTP-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccsc4)cc3cc21 575473258 PRAWRWNJCRHLJL-UHFFFAOYSA-N 365.454 4.717 0 40 FJAB O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1ccccc1Cl 1136327113 XRQNUUKTSVFRFL-HXUWFJFHSA-N 350.849 4.794 0 40 FJAB COC1CCC(NC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)CC1 1220283034 IGCOUHXFRUXKMI-UHFFFAOYSA-N 363.461 4.914 0 40 FJAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)C3=O 602051 HQVBDUZROQMWRN-RYUDHWBXSA-N 368.429 4.529 0 40 FJAB biogenic C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl 641647 KWZHWERPWGLLTG-CYBMUJFWSA-N 352.261 4.671 0 40 FJAB O=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 705707 YVZLIICJQUFRHL-UHFFFAOYSA-N 352.604 4.604 0 40 FJAB COc1ccc([C@]2(OC)Oc3ccccc3-c3nc4ccccc4nc32)cc1 1674552 NXNWSAWNDBCOGI-QHCPKHFHSA-N 370.408 4.545 0 40 FJAB Cc1ccc(C)c(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)c1 2291999 FWWOSKAHNOYTFQ-UHFFFAOYSA-N 368.440 4.756 0 40 FJAB Cc1c(Cl)ccc2sc(NC(=O)c3cc4ccccc4oc3=O)nc12 4292216 FKSBOZWTLLLZLE-UHFFFAOYSA-N 370.817 4.617 0 40 FJAB CCn1c(SCC(=O)Nc2ccccc2SC)nc2ccccc21 4484583 SPLHVYRESJRDIW-UHFFFAOYSA-N 357.504 4.509 0 40 FJAB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccccc2Cl)o1 4892542 IKCJROIIQBOHLD-UHFFFAOYSA-N 374.849 4.705 0 40 FJAB Cn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccccc1F 4947007 ZVFLQKWJSREWDL-UHFFFAOYSA-N 372.450 4.630 0 40 FJAB CCOc1cc(/C=C(\C(=O)O)c2ccc(Cl)c(Cl)c2)ccc1O 5953451 BDALXXCVOUTPGZ-GHXNOFRVSA-N 353.201 4.723 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl 6372833 DHGKXDDWQDPJBO-UHFFFAOYSA-N 359.731 4.565 0 40 FJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1F 6961645 VYYRRTWAIAIZDZ-UHFFFAOYSA-N 373.493 4.965 0 40 FJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)s1 7407364 LHOVXARBWVJMFB-UHFFFAOYSA-N 372.881 4.639 0 40 FJAB CC(C)OCCCNCc1cn(-c2ccccc2)nc1-c1cccs1 7779653 OWAFZVOTPSGCFC-UHFFFAOYSA-N 355.507 4.506 0 40 FJAB CSc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 8718857 PKEJGXMLQSFXIF-LLVKDONJSA-N 361.417 4.644 0 40 FJAB CCOc1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 9156115 OIODXLAWKRGZGM-UHFFFAOYSA-N 356.422 4.529 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 11915449 VTDKNAAWJOWHFT-UHFFFAOYSA-N 359.476 4.554 0 40 FJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1)O[C@@H](C)C2 12563603 KXSSHQLBDXJLTN-QWHCGFSZSA-N 374.868 4.501 0 40 FJAB CC[C@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 12899242 JDUXYLGKXQSQFA-HNNXBMFYSA-N 366.442 4.671 0 40 FJAB Cc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)cc1C 12928404 HTLHRZDYQYGBAA-QHCPKHFHSA-N 358.485 4.816 0 40 FJAB O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccccc1C(F)(F)F 13325268 HFSZLEZKTULCRZ-UHFFFAOYSA-N 363.383 4.945 0 40 FJAB O=C(c1ccccc1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 13758833 RIDKPTSLSBJTOV-UHFFFAOYSA-N 360.457 4.503 0 40 FJAB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 15155219 BHKYHCIRPKZPTM-LLVKDONJSA-N 358.265 4.834 0 40 FJAB Cc1ccsc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 18705617 VYVJCKQSNUCYAA-UHFFFAOYSA-N 357.435 4.824 0 40 FJAB COc1ccc(OC)c(CN[C@H](Cc2cccs2)c2nc(C)cs2)c1 19240071 RKZBPQJQJLIQFN-QGZVFWFLSA-N 374.531 4.604 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 20452664 SZUGUSQLYRQGGS-LLVKDONJSA-N 368.658 4.817 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)ccc2o1 21794760 FALPQPHZAFLWCB-CYBMUJFWSA-N 351.450 4.873 0 40 FJAB COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC 22783260 YMPWZVGFYMYOBC-LLVKDONJSA-N 370.276 4.870 0 40 FJAB O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc(Oc2ccccc2)cc1 31620763 PHGYFWZQHATUJQ-UHFFFAOYSA-N 373.330 4.542 0 40 FJAB COc1ccc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc1F 32809476 IEYAAEFVGFXXBT-UHFFFAOYSA-N 351.805 4.775 0 40 FJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cccc(OC(C)C)c1 45889308 NGYSWXKPFHWVPV-UHFFFAOYSA-N 355.463 4.535 0 40 FJAB CCOc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1 46914314 ZNBKLOSOLINBNN-UHFFFAOYSA-N 360.417 4.809 0 40 FJAB Cc1nc(C(C)C)sc1C(=O)NCc1ccc(F)cc1C(F)(F)F 48275743 TYGMXZXSUFHHCB-UHFFFAOYSA-N 360.376 4.663 0 40 FJAB Cc1cc2oc(=O)cc(CN(C[C@@H](C)O)c3ccccc3)c2cc1C(C)C 58425900 AYHOETXMFQCXLY-QGZVFWFLSA-N 365.473 4.612 0 40 FJAB O=C(N(Cc1ccccn1)Cc1ccco1)C1(c2cccs2)CCCC1 62018070 YNZJUYFWOQGWOB-UHFFFAOYSA-N 366.486 4.777 0 40 FJAB COC(=O)c1cc(OCc2ccc(F)cc2Cl)c2cc(F)ccc2n1 65033349 FWXCZIKWPFGPDE-UHFFFAOYSA-N 363.747 4.532 0 40 FJAB COc1ccccc1Nc1ncccc1C(=O)N(C)c1cc(C)cc(C)c1 65861420 MKPUJCRLSMTOKT-UHFFFAOYSA-N 361.445 4.727 0 40 FJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)c(OC)c1 71287309 PVIVSOUJSOHBSW-KRWDZBQOSA-N 373.478 4.607 0 40 FJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCCC1=CCCCC1 71326469 VKZICXRLQJPNRY-UHFFFAOYSA-N 369.534 4.726 0 40 FJAB Cc1cc(C)cc(OCc2nnc(-c3cnc4onc(C(C)C)c4c3)o2)c1 71890677 KJRNAKPLZIDTBW-UHFFFAOYSA-N 364.405 4.592 0 40 FJAB CCCNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213224 WJZAQDFMGNUPFU-IBGZPJMESA-N 353.466 4.767 0 40 FJAB Cc1cc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)ccc1Cl 72229519 OUJYKZLTMWJHNG-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)[nH]n2)cc1 72331572 YSQNGLPCLVRBAF-MRXNPFEDSA-N 363.461 4.747 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3ccncc3)C2)n1 72356005 PBLJGXIWDFJSSZ-HSZRJFAPSA-N 357.501 4.755 0 40 FJAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCCCCC4)cc3)cc2c1 72396138 DKOQAOPJPVQCBR-UHFFFAOYSA-N 361.489 4.829 0 40 FJAB Cc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 101084937 RCHNNRJIGPLKOO-MAUKXSAKSA-N 373.250 4.527 0 40 FJAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCCC2)cc1 101875848 NKXLKNZDKVCARN-UHFFFAOYSA-N 372.472 4.748 0 40 FJAB Cc1cc(C)n2c1C=C1C=CC(CCCCCCCC(=O)O)=[N+]1[B-]2(F)F 206560171 UGAAMNGEKHACCK-UHFFFAOYSA-N 362.229 4.521 0 40 FJAB in-vitro CCOC(=O)c1ccc(NC(=O)CCc2cccc3ccccc23)c(C)c1 222673591 ZHDPFXGSWUYLFT-UHFFFAOYSA-N 361.441 4.896 0 40 FJAB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 222686773 KHTAMPQLOICWRK-INIZCTEOSA-N 367.489 4.565 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1C(C)C)CC(C)(C)O2 222812514 KDDJCEMPZAWKOO-IBGZPJMESA-N 367.489 4.916 0 40 FJAB Cc1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCC1 223977195 XQGROAQVUJSFQS-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccc(Cl)cc1 224502311 JDFZKVIPCXZCPZ-UHFFFAOYSA-N 361.869 4.800 0 40 FJAB Cc1ccc(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225387167 BTHCKMFWEFCHQF-UHFFFAOYSA-N 352.425 4.933 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225537323 MXEHLNCDBOIDLG-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cc(C)cc(C)c1 225685312 CYOKYPILASRQTC-SFHVURJKSA-N 370.518 4.901 0 40 FJAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(F)(F)F 225807126 NVXSASMPLBYXHV-YVEFUNNKSA-N 359.388 4.638 0 40 FJAB CCCCOc1ncc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C 225911604 HFNDPQMLGJTECF-HRAATJIYSA-N 362.514 4.883 0 40 FJAB CCC[n+]1cc(Br)cc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 226774348 VDRZUFZGQBIDER-UHFFFAOYSA-N 365.682 4.652 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(OCc2ccccc2Cl)c1 260802911 QIVDOJCHNNXIQO-AUSJPIAWSA-N 355.865 4.837 0 40 FJAB O=C1S/C(=C/c2ccc(Br)o2)C(=O)N1CC1CCCCC1 409123431 GFYPULATCWNXEY-XYOKQWHBSA-N 370.268 4.659 0 40 FJAB O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)c1cc(-c2ccco2)[nH]n1 1648839547 RSZMOYITOCCEBK-HXUWFJFHSA-N 367.424 4.860 0 40 FJAB CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCc1cc(-c2ccccc2)no1 1678154159 FJJZOMIGASNHJD-PKOBYXMFSA-N 369.509 4.993 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(Cc2ccccc2)c1C 728583 UZJOKXWIQORHNP-UHFFFAOYSA-N 365.454 4.686 0 40 FJAB aggregator O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)cc1Cl 910512 JPSUMCFOSPHFQQ-UHFFFAOYSA-N 371.017 4.557 0 40 FJAB Cc1ccc(NC2=C(Cl)C(=O)N(c3cccc4ccccc34)C2=O)cc1 951845 LWLZQJNYWKJXBC-UHFFFAOYSA-N 362.816 4.584 0 40 FJAB Cc1cc(C)cc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 1336936 ZLOZRAAVRLVUTH-UHFFFAOYSA-N 370.493 4.734 0 40 FJAB CSc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336997 CQFZUMIZXPDYTF-UHFFFAOYSA-N 372.465 4.674 0 40 FJAB CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Br)ccc12 1700320 GDCDHNUYXXZRKA-AWEZNQCLSA-N 364.331 4.920 0 40 FJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccccc1C(F)(F)F 3328891 GSOICGBNJBJDAD-NTEUORMPSA-N 351.711 4.703 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816513 YCIBJLVTTVFHKY-RTWAWAEBSA-N 374.488 4.700 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(Br)cc2Br)c1 5619490 WVNRQUDQHRHKCC-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12 6063938 REGFIEHYMIUMAP-UHFFFAOYSA-N 363.457 4.538 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2cccc(C)c2C)cc1 6870328 HHWVRLSPOFXMLS-UHFFFAOYSA-N 364.489 4.974 0 40 FJAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 6969799 HGFGBFDCTXXUPG-RIYZIHGNSA-N 365.241 4.625 0 40 FJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2ccc(F)cc2)cc1 8389812 YRWGIJNSVBNSAH-UHFFFAOYSA-N 355.394 4.599 0 40 FJAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2nc3ccccc3o2)cc1 9141102 UDEJRGUQLOKMKY-NTCAYCPXSA-N 354.409 4.824 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)c(OCC)c1 9208221 BZQBJYLSKWOSML-HNNXBMFYSA-N 357.450 4.914 0 40 FJAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@@H]1c1ccccc1 9956288 MGXNLZBBJKQLLH-LVMGUKCRSA-N 356.263 4.826 0 40 FJAB COc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1OC 12523840 ADLKJOPWLUIRLX-JOCHJYFZSA-N 357.413 4.693 0 40 FJAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1 12615795 QOUYJZQTDMSETI-XQDODVJUSA-N 350.487 4.936 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1cccc(Cl)c1 12761272 VKXKPYBGFXZMGM-UHFFFAOYSA-N 371.843 4.554 0 40 FJAB CC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(C)cc1 12999520 HZZLRCHESGORTB-INIZCTEOSA-N 356.516 4.990 0 40 FJAB CCN(CC)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13141532 NGAHACFOSKRLLX-UHFFFAOYSA-N 365.502 4.704 0 40 FJAB CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 13408446 NPOYAOIFAQWWBZ-LUCGELGGSA-N 362.554 4.913 0 40 FJAB Cn1c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21 13731125 HTNPTWRBHQSXRI-UHFFFAOYSA-N 368.868 4.638 0 40 FJAB Cc1ccc2cccc(OCC(=O)N[C@H](C)c3cc4ccccc4o3)c2n1 14339388 QUBCQDBNUODRBY-OAHLLOKOSA-N 360.413 4.546 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc3ccccc3c2)cc1 15542325 ZXMQAACPGKXWIF-JOCHJYFZSA-N 361.441 4.591 0 40 FJAB Cn1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n1 18948791 DVHPEEBOFAMPGC-UHFFFAOYSA-N 362.820 4.541 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN3CCCc3ccccc3)o2)s1 19217709 AMAPZFAFVWSQFY-QGZVFWFLSA-N 353.491 4.876 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C)cc1 20039520 QYXUJTJVBJDXHY-NRFANRHFSA-N 363.457 4.501 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCc2ccc(C(C)C)cc2)c1 20485757 UMMOEFCVPLBLIZ-IBGZPJMESA-N 353.506 4.861 0 40 FJAB Cc1ccc2c(C)c(C(=O)Nc3ccnn3Cc3cccs3)oc2c1C 21659872 NPVAUKSUFSMDLU-UHFFFAOYSA-N 365.458 4.917 0 40 FJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Oc1ccccc1 21743366 UVSGRQJULXYXJA-UHFFFAOYSA-N 359.834 4.524 0 40 FJAB CC(=O)c1ccc(OCC(=O)OCc2sc3ccccc3c2Cl)cc1 21837715 SUFSBCKHCCBBAN-UHFFFAOYSA-N 374.845 4.880 0 40 FJAB Cc1csc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)n1 29779320 RLDYZJZFENRTSJ-UHFFFAOYSA-N 357.382 4.641 0 40 FJAB Cc1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1 30751995 HHPVMSYIJSBTPS-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cn2ccnc2)cc1 30941460 VQTLBKKBQHDNOG-UHFFFAOYSA-N 369.424 4.976 0 40 FJAB CCCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 58217561 GSFBORUPEOLEKV-OAQYLSRUSA-N 352.478 4.519 0 40 FJAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2nc3ccccc3s2)o1 58357021 BDJRSDNELSTDOG-UHFFFAOYSA-N 366.417 4.554 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 58405494 CBACTMOEJFWDGK-SFTDATJTSA-N 352.453 4.948 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 72380258 DLTLXYXYHJDODE-KRWDZBQOSA-N 365.864 4.750 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)N)[C@@]4(C)CC[C@@H]32)C1 82041029 SYGYUPQRRFLXHY-ZLTRAVGQSA-N 359.554 4.844 0 40 FJAB CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1cccs1 89363738 SNUPYMXJROHQIZ-UHFFFAOYSA-N 352.459 4.611 0 40 FJAB CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 95469144 VLCPOTZXOGYDRL-JKSUJKDBSA-N 358.404 4.811 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1Cl 98086729 NWDUKULOWCAZMT-UHFFFAOYSA-N 350.180 4.571 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)c1 224223449 OHZQICGRVMDGSL-ZWKOTPCHSA-N 365.527 4.937 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 224472061 OCXOPXHFMBLHGH-KRWDZBQOSA-N 355.478 4.891 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1C1CCCC1 225005558 HBMLTECTURYZBU-HZPDHXFCSA-N 363.939 4.712 0 40 FJAB O=C(NCc1cccn1-c1ccccc1)c1ccc2nc(Cl)sc2c1 225984462 YOEAYIRLCKVPCS-UHFFFAOYSA-N 367.861 4.670 0 40 FJAB Clc1ccc(Cc2nnc(SCc3ccccc3Cl)[nH]2)cc1 226299675 MAAZNHNSWLMTNB-UHFFFAOYSA-N 350.274 4.995 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1cc2ccccc2s1 390830043 IKOYEOMYKHPGLV-AWEZNQCLSA-N 369.467 4.686 0 40 FJAB COc1cccc2cc(C(=O)NC(c3ccccc3)c3ccccc3)oc12 408700467 GMPSNNWXGFIFDJ-UHFFFAOYSA-N 357.409 4.961 0 40 FJAB Cc1ccc([C@@H]2C=C(c3ccc(Cl)c(Cl)c3)N=C3N=CNN32)cc1 409061611 YJKSIYCEUJMNMH-KRWDZBQOSA-N 357.244 4.602 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2C)cc1 409172141 IJZUHTJMRYGVTN-KRWDZBQOSA-N 359.560 4.834 0 40 FJAB Oc1cccc(CN2CCN(c3c(Cl)cccc3Cl)CC2)c1Cl 1658750504 VIEYPOYESYNYQT-UHFFFAOYSA-N 371.695 4.675 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 683271 XVJFOUVNJRFVOW-UHFFFAOYSA-N 359.425 4.552 0 40 FJAB COc1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)sc2c1 951185 QJYCBEAMUKHUPP-UHFFFAOYSA-N 370.474 4.754 0 40 FJAB CC(C)CN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(F)c2)s1 1345498 YWSFUDAOLRJANB-UHFFFAOYSA-N 369.465 4.576 0 40 FJAB O=C(O)C[C@H](c1ccccc1Cl)[C@@H](CC(=O)O)c1ccccc1Cl 1713620 CFXGZHXOVDCVMZ-OKILXGFUSA-N 367.228 4.810 0 40 FJAB COc1ccc(OC)c(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 2204637 NXLDLJPJVSRIEL-FQEVSTJZSA-N 373.452 4.649 0 40 FJAB Cc1c/c(=N/c2ccc(C(=O)N3CCCCC3)cc2)c2cccc(C)c2[nH]1 2321515 XPBBWUFYMMUEHS-UHFFFAOYSA-N 359.473 4.643 0 40 FJAB Cc1nc2sc3c(c2c2nc(-c4ccc(F)cc4)nn12)[C@@H](C)CCC3 2437320 PSJDDPHGBGHAII-JTQLQIEISA-N 352.438 4.893 0 40 FJAB Cc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2N)cc1 2614809 NHQUYGXLQOEJML-UHFFFAOYSA-N 352.507 4.557 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Cc1csc(-c2ccccc2)n1 2632925 IQNPUKAECGNKHN-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)N1CCc2ccccc2C1 3245767 OEZGQXNZKTUMLR-UHFFFAOYSA-N 374.918 4.627 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)cs1 3447076 AJQDNJWSLZSBDM-CQSZACIVSA-N 366.511 4.880 0 40 FJAB O=C(COc1ccccc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 4278874 QPFJYKLLYMTHBC-UHFFFAOYSA-N 364.470 4.706 0 40 FJAB CCCCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 4740501 UGZOGTSDYYCHJY-UHFFFAOYSA-N 365.458 4.757 0 40 FJAB CCN1C(=O)S/C(=C\c2cccc(OCc3ccc(C)cc3)c2)C1=O 5552287 WARBFKVOOXWJQZ-PDGQHHTCSA-N 353.443 4.630 0 40 FJAB CC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN12 5561739 DIIHXNPNCDWTGX-WMZOPIPTSA-N 357.251 4.729 0 40 FJAB CC(C)(C)NC(=O)CC1(C(=O)OCc2cccc3ccccc23)CCCC1 6084623 LNXUKHXQJODIBZ-UHFFFAOYSA-N 367.489 4.748 0 40 FJAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)Cc1cccc(F)c1 6639015 VEEUYKDWXUJVKG-NSHDSACASA-N 355.240 4.592 0 40 FJAB Cc1ccc(C)c(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 6790576 SWEMGIVKIXYZKL-JOCHJYFZSA-N 372.468 4.803 0 40 FJAB Cc1nc2cc(NC(=O)c3ccccc3C(=O)c3ccccc3)ccc2o1 8406530 JZHMLXSNNVJQSS-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB COc1cccc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4o3)cc2)c1 9226418 AQOVJXUXMYTCSH-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 11052843 AHTCHFMCCFZFAG-HZPDHXFCSA-N 365.473 4.504 0 40 FJAB O=C(Nc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1)C(F)(F)F 11330844 TTYPQWHNNZJVTF-VQHVLOKHSA-N 358.319 4.612 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 11636876 SKBFRZZRVFJECW-MRXNPFEDSA-N 353.340 4.510 0 40 FJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1 11771414 TTXHVTRFROFMFO-UHFFFAOYSA-N 364.367 4.746 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1C 12754709 NELLXEMRLPPGJR-DLBZAZTESA-N 365.473 4.558 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cccc2cccnc12 12909484 KWWRJLMEMPCBHQ-VAWYXSNFSA-N 359.454 4.516 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)cc(Cl)c1)O[C@H](C)C2 12975612 LCOYAFZJOVHQQK-SNVBAGLBSA-N 366.244 4.968 0 40 FJAB COc1ccc(SCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 14238131 IKKWDXPFIOWWBF-LBPRGKRZSA-N 369.408 4.684 0 40 FJAB O=C(Cc1c(Br)oc2ccc(F)cc12)Oc1ccc(F)cc1 15083997 QJIBWDLAPGQTMG-UHFFFAOYSA-N 367.145 4.622 0 40 FJAB CCCOc1cccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)c1 15832573 DWZYRLKLGSJVIZ-UHFFFAOYSA-N 366.486 4.837 0 40 FJAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(Nc3ccc(F)cc3)ncc21 17208704 FDFHLDTWEWITSK-ZDUSSCGKSA-N 367.811 4.925 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)OCc1csc(-c2ccco2)n1 25380270 NXGYGPOYQZJVNY-UHFFFAOYSA-N 352.415 4.560 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1C(F)(F)F 27975686 UBSAPPVUKJUBOI-GOSISDBHSA-N 363.379 4.990 0 40 FJAB COc1cccc(OCc2ccc(C(=O)Nc3ccc4c(c3)CCC4)o2)c1 28226317 JBBRZZVWGNOMKB-UHFFFAOYSA-N 363.413 4.608 0 40 FJAB COc1c(Cl)cc(C(=O)N(C)Cc2ccc(SC)cc2)cc1Cl 58134142 SIKPUNVGWHDJTA-UHFFFAOYSA-N 370.301 4.996 0 40 FJAB COc1c(C)cnc(CN(C)C(=O)c2oc3ccc(Cl)cc3c2C)c1C 58163112 DMIDZUWGSJGELB-UHFFFAOYSA-N 372.852 4.687 0 40 FJAB O=S(=O)(c1ccccc1)c1ccc(OCc2ccc(Cl)s2)cc1 58391722 OYMUVFPQGQZIFR-UHFFFAOYSA-N 364.875 4.813 0 40 FJAB CCN(c1ccc(C(=O)N(C[C@H]2CCOC2)c2ccccc2)cc1)C(C)C 60300487 NYRVOZHEYCKNMK-LJQANCHMSA-N 366.505 4.605 0 40 FJAB CC(C)c1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 72330066 QNARDFZLLIBXFR-UHFFFAOYSA-N 365.351 4.624 0 40 FJAB O=C(NC1CCCC1)N[C@H](c1ccc(Br)cc1)C1CCC1 84392682 MFYWIFKJFDQLIY-INIZCTEOSA-N 351.288 4.532 0 40 FJAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Sc2ccccn2)cc1 84613292 QSSCLTRRZQOTNN-UHFFFAOYSA-N 374.421 4.592 0 40 FJAB C[C@@]1(CCC(=O)O)[C@H]2CC[C@@]3(C)CCC[C@@H]3[C@@H]2CC[C@@H]1CCC(=O)O 103208121 UJKJBNDDMOKPEE-HGWRGTDWSA-N 350.499 4.965 0 40 FJAB biogenic C[C@H](c1ccco1)N(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C1CC1 106866446 YVDPELMCABEXSX-DQYPLSBCSA-N 374.278 4.898 0 40 FJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1Cl 140214116 VCARYLSWMHPPRA-OAHLLOKOSA-N 357.881 4.783 0 40 FJAB CN(CCCNC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 219008145 JXCCHIKMIQBDKW-UHFFFAOYSA-N 372.512 4.728 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1 223833249 YOTIYDRFRLPYOO-UHFFFAOYSA-N 351.490 4.817 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 224330989 NNPFVNLNEOZSMA-UHFFFAOYSA-N 364.257 4.693 0 40 FJAB CCCCCNC(=O)c1ccc(OCC)c(COCc2ccccc2)c1 224752027 PFLWHYUXKHXRJE-UHFFFAOYSA-N 355.478 4.722 0 40 FJAB Nc1c(-c2ccc(F)cc2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225179619 ALXBXXQQJHMIAU-UHFFFAOYSA-N 355.722 4.933 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C 225244939 CUFUWXXLGNBVSI-GOSISDBHSA-N 353.506 4.809 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(C)C 225543289 DFJHSGFTWGXAGU-UHFFFAOYSA-N 367.898 4.890 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C(F)(F)F)c1 225696021 TZXCTTZCHULPGK-GOSISDBHSA-N 365.395 4.796 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)COc3ccccc3C(C)C)s2)cc1 225810024 FPVNYDIMRDUSKR-UHFFFAOYSA-N 367.474 4.654 0 40 FJAB CCO[C@@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@@H](C)C1 225831069 NLXIQFPMGMFULV-PXAZEXFGSA-N 359.388 4.638 0 40 FJAB COc1ccc(-c2ccc(C(=O)Nc3ccc(F)c(N)c3)o2)cc1Cl 226765616 BBVKZVJBYJEBNA-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN3C(=O)C(C)(C)C)n2)s1 257319538 VSYRXNKXWWHYOO-INIZCTEOSA-N 372.538 4.508 0 40 FJAB Cc1ccc(SCCNC(=O)CSCc2ccc(Cl)cc2)cc1 408865547 BDBKXLOFUBOUIT-UHFFFAOYSA-N 365.951 4.790 0 40 FJAB CC(C)N(C(=O)c1ccc(-c2ccncc2)o1)[C@@H]1CCCc2cccnc21 606442674 VSCPMSJDOYPICM-GOSISDBHSA-N 361.445 4.665 0 40 FJAB Cc1ccccc1C(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 808666 QRQRDWOVQNYRCA-OAHLLOKOSA-N 357.668 4.533 0 40 FJAB CCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccc(C)cc2)s1 1356373 JDQGZQRBUFVEJT-UHFFFAOYSA-N 355.438 4.709 0 40 FJAB CCOC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CC[C@H](C)C3 1375661 NNALLJZBKHPJEF-NSHDSACASA-N 364.536 4.595 0 40 FJAB OC1(c2cccc(C(F)(F)F)c2)CCN([C@H]2C[C@@H]2c2ccccc2)CC1 1688500 UQNYLRPFZWLLMC-MOPGFXCFSA-N 361.407 4.545 0 40 FJAB CCCC(=O)Nc1c(-c2ccccc2Cl)c(=O)c2ccccc2n1C 2230093 SXZDOYHUIXOIPB-UHFFFAOYSA-N 354.837 4.598 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1 2500760 KEJYCNAYHHATKZ-UHFFFAOYSA-N 367.455 4.682 0 40 FJAB aggregator O=C(CSc1nc2ccccc2o1)Nc1ccc(C(F)(F)F)cc1 3323324 IBTDHJSLLGLQRE-UHFFFAOYSA-N 352.337 4.577 0 40 FJAB c1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1 3453170 YNKSRHHSSCCNQM-UHFFFAOYSA-N 372.497 4.685 0 40 FJAB aggregator O=c1cc(CSc2ncnc3ccccc23)c2cc3c(cc2o1)CCC3 3515301 GTTWLENYEACJKZ-UHFFFAOYSA-N 360.438 4.517 0 40 FJAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccc(C)cc3)cc12 3902546 TZWQPRUOWZIVIJ-UHFFFAOYSA-N 365.429 4.674 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1nc2c(F)cc(F)cc2s1 4331594 WLNIGWWUYVYKCS-UHFFFAOYSA-N 354.381 4.909 0 40 FJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccccc1C 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COc1ccc(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 20047662 UTPIOHDOZVJPBS-QGZVFWFLSA-N 369.530 4.657 0 40 FJAB CC(C)C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 20105433 WPWUCQKTLFWUKA-SFHVURJKSA-N 369.889 4.686 0 40 FJAB CCSc1nc(SCC)c2c3c(sc2n1)CN(C)C(C)(C)C3 20813350 ZYVRZOLGROSEBB-UHFFFAOYSA-N 353.582 4.682 0 40 FJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)OC1CCCCC1 24689199 DNJDJYQHKYEYJK-UHFFFAOYSA-N 358.438 4.620 0 40 FJAB CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 27926716 GFXDFVRAZLINIW-UHFFFAOYSA-N 364.470 4.890 0 40 FJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCc2sccc2[C@@H]1C 31714972 KVNJNCOSHGFJNG-QWRGUYRKSA-N 370.301 4.968 0 40 FJAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1C 32610100 VXGLWDFRHQEWKZ-UHFFFAOYSA-N 351.425 4.556 0 40 FJAB CCOc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1 36611298 BYKYUOFZZXNNHO-UHFFFAOYSA-N 355.507 4.796 0 40 FJAB CCOc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 38068403 ZBAFAORPLSSIAU-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 38754086 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C[C@@H](NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1)c1ccccc1Cl 106524450 XOQSLUFXQRVGQG-HUUCEWRRSA-N 370.880 4.956 0 40 FJAB C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223198691 OSZWLRVGCIVEOZ-OAHLLOKOSA-N 357.881 4.865 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 223390152 JHAHEJRUSYBKJE-GFCCVEGCSA-N 370.301 4.669 0 40 FJAB Cc1ccc(C(=O)NCCSCc2ccccc2Cl)c(Cl)c1 224995179 JADCLOAJDKPKRK-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)s2)cc1 225183128 GBMXBFHDHDSPAL-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB CCNC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1 225493892 KIFZNRFETFPPHN-UHFFFAOYSA-N 363.486 4.913 0 40 FJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225701592 KRJJWYMLALAPBQ-KUHUBIRLSA-N 371.905 4.678 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)cn1 257302255 SCDOGYHXUFNGNQ-GOSISDBHSA-N 368.433 4.519 0 40 FJAB COc1ccc(/C=C(/C(=O)NCc2ccc(OC)cc2)c2ccccc2)cc1 408908580 WJZIWONPBIJVCO-XQNSMLJCSA-N 373.452 4.561 0 40 FJAB 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373.452 4.810 0 40 FJAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](c2nc3ccccc3o2)C1 48164048 NJGSFFGCFLAFAT-PKOBYXMFSA-N 360.457 4.654 0 40 FJAB Cc1nc2ccc(NC(=O)[C@H](C)Oc3cccc(C(C)(C)C)c3)cc2o1 58394134 YTEVDXYOMGKVRO-ZDUSSCGKSA-N 352.434 4.840 0 40 FJAB CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 84169723 LRGAOUZJQSKSDM-HNNXBMFYSA-N 365.468 4.998 0 40 FJAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 95116836 BXNPPSIOMBIDSD-SFHVURJKSA-N 350.805 4.925 0 40 FJAB Cc1nc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccn23)cn1C(C)C 96154950 CRTVCAUNVOANDI-MRXNPFEDSA-N 364.493 4.707 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C(C)=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@@]12C 104068704 OBZYXEMSAJPCRP-VLBJDTNOSA-N 374.521 4.813 0 40 FJAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3cccs3)cc2)c1 107616434 CGUUMMJWPKHZPQ-UHFFFAOYSA-N 366.438 4.675 0 40 FJAB O=C(Cc1ccsc1)N1CCS[C@H](c2ccccc2Cl)CC1 206998301 CVBBEZNMJLKVSN-INIZCTEOSA-N 351.924 4.651 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2cccc(C)c2)cc1 222739783 CMFZHIZIUYBYRH-UHFFFAOYSA-N 371.502 4.824 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2ccc(C)cc2C)c2ccccc2O1 222787884 ZLQHRLGLVDMFKU-IBGZPJMESA-N 367.489 4.881 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H](C)c1ccccc1 225134517 ZAOLJFIOPAQYFF-HTAPYJJXSA-N 351.490 4.643 0 40 FJAB Cc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225295069 UADFGXKQQWLCND-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)cc1 225652369 XAULPGVTFMODOK-NRFANRHFSA-N 365.514 4.806 0 40 FJAB COC(=O)Cc1ccc2c(c1)[C@H]1O[C@@H](c3ccccc3)CC[C@@H]1C(C)(C)O2 257249094 JGUPZIXNCNZRTI-NNMXDRDESA-N 366.457 4.782 0 40 FJAB COc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 408555059 VEZJALXEUKXZHR-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB CC(C)(C)OC(=O)Nc1cccc2cnc(-n3ccc4ccncc43)cc12 725327977 AVEOOGFFDUOPCT-UHFFFAOYSA-N 360.417 4.921 0 40 FJAB O=c1cc(CSCc2ccc(C(F)(F)F)cc2)c2ccc(O)cc2o1 1652818941 DOKXJLWHLSXXQL-UHFFFAOYSA-N 366.360 4.951 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1ncnc2sc(C)c(C)c12 888520 IGQWPQQEGHIHEV-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1 899649 ZWXYFIVHJAFZIK-UHFFFAOYSA-N 374.849 4.585 0 40 FJAB O=C1c2ccccc2N(c2ccccc2)C(=O)[C@]1(Cl)Cc1ccccc1 984401 CRNWGZQSAWNEBF-QFIPXVFZSA-N 361.828 4.768 0 40 FJAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 993546 FNFWBBFXQLXOTH-BKUYFWCQSA-N 373.383 4.749 0 40 FJAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 2137138 WKCPIBFTVGPWMQ-UHFFFAOYSA-N 362.381 4.840 0 40 FJAB biogenic Cc1ccc(C)c(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 3321395 IGZUKEMMXCSLKJ-UHFFFAOYSA-N 361.470 4.783 0 40 FJAB CN(C)C[C@H]1CCCC[C@H]1[C@]1(O)c2ccccc2CSc2ccccc21 4128336 DYOKEZUEHYQWMK-BOCKYXSRSA-N 367.558 4.896 0 40 FJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1ccc(F)cc1 4355625 MVOSLSLZSJFMRE-UHFFFAOYSA-N 358.825 4.911 0 40 FJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc[nH]1 4975665 CUZIRDFEZXBOEG-UHFFFAOYSA-N 370.408 4.578 0 40 FJAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3cc(Cl)ccc3o2)[C@@H]1C 4984962 CHXBWOKJPGFPLE-NQBHXWOUSA-N 352.887 4.514 0 40 FJAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(F)cc1Cl 5033920 KCDYGHPBUGHWSI-VIFPVBQESA-N 350.802 4.740 0 40 FJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 5112257 XXNHGQCMDVHZOG-UHFFFAOYSA-N 366.379 4.648 0 40 FJAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1c(F)cccc1Cl 5151712 OACBLNTXAXCPGB-XMZCSZCVSA-N 370.855 4.506 0 40 FJAB CN1/C(=C2/C=NN(C)[P@]2(=O)N2CCCCCC2)C(C)(C)c2ccccc21 5327786 JQSDPVZLINAIBU-JYWGFPHJSA-N 372.453 4.626 0 40 FJAB Cc1nc(S[C@H](C)C(=O)N(C)c2ccccc2)c2c(C)c(C)sc2n1 5428993 IAKLFHPPRINLQJ-CYBMUJFWSA-N 371.531 4.760 0 40 FJAB Cc1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1=O 5441389 ZRPXGTRCRDBPPI-UHFFFAOYSA-N 358.441 4.917 0 40 FJAB COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1cccs1 7274957 YGONJAXQOAVOQG-UHFFFAOYSA-N 374.893 4.674 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1ccccc1Cl 8558512 QVGRADYHNLKBCC-SFHVURJKSA-N 363.910 4.547 0 40 FJAB COC(=O)c1sccc1Oc1ccc(NC(=O)c2cccs2)cc1 8887756 QVDLNNMKWQHRSA-UHFFFAOYSA-N 359.428 4.641 0 40 FJAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 9134848 JTYWKTRSCOLEBK-UHFFFAOYSA-N 362.669 4.801 0 40 FJAB COc1cccc2c(NC(=O)c3cc(C)nc4ccccc34)cc(C)nc12 12322993 ATHURBLQVSZAIK-UHFFFAOYSA-N 357.413 4.661 0 40 FJAB Cc1nc(SCCOc2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1C 12520232 IBCGTJUINAQNGA-KRWDZBQOSA-N 366.914 4.503 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)c(Br)c1 12562575 UZJNMSJOBROROS-ZDUSSCGKSA-N 373.294 4.685 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H](NC1CCCCCC1)c1ccccc1 12859804 IDJAUCHIEKWJPU-QFIPXVFZSA-N 366.505 4.996 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1 12923478 TWLAFHLVKPYWIN-RNOHYWCBSA-N 367.445 4.632 0 40 FJAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(Cl)cc1F 13006377 VXQUQSLRIDVDJG-UHFFFAOYSA-N 367.877 4.564 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 14036318 YQECVVZUXUJLRL-SFHVURJKSA-N 361.441 4.980 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 16310802 AVOJDJISVBJGCR-QGZVFWFLSA-N 359.560 4.834 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(Br)cc12 17324171 KGTMVDNOKMDMIW-UHFFFAOYSA-N 363.642 4.514 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 19933064 UPXBSOPBCBZNFZ-QFIPXVFZSA-N 365.517 4.942 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20137119 MQILOMIDQRPFCB-UHFFFAOYSA-N 358.608 4.526 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc2ccc(F)cc2s1 20936110 LBHOHHGYGYAWCQ-MRXNPFEDSA-N 372.465 4.590 0 40 FJAB O=C(Nc1nc2c(s1)CCC2)c1cc2c(s1)-c1ccccc1OC2 25767433 SAUAWMDZYSHRRL-UHFFFAOYSA-N 354.456 4.505 0 40 FJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 30754575 IXXPICALWNHLEH-GOSISDBHSA-N 371.546 4.935 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[C@H]1c1cccs1 32988660 KGOLKAUNDPEHDW-SFHVURJKSA-N 365.502 4.587 0 40 FJAB CCc1nnc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)s1 33027658 ZINUYHCAHYHERP-UHFFFAOYSA-N 355.463 4.549 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1 38756366 ZEORAEQQDWGUMH-OAQYLSRUSA-N 365.448 4.885 0 40 FJAB C[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1cccc2ccccc12 40145017 KCSWVAKVWCDUEA-MRXNPFEDSA-N 372.468 4.704 0 40 FJAB Cc1cc(/C=C/C(=O)OCc2cccc(F)c2F)c(C)n1-c1nccs1 45546059 BHHJMYBJVIKRFS-VOTSOKGWSA-N 374.412 4.585 0 40 FJAB Cc1cc(C(=O)NCCc2ccc(F)cc2)c(C)n1[C@H](C)c1ccccc1 58173217 XTLTVGKFFIYGDX-QGZVFWFLSA-N 364.464 4.826 0 40 FJAB COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c1 67339285 HUMACMAESPMBGX-SOFGYWHQSA-N 355.777 4.525 0 40 FJAB C[C@H](Oc1ccc(F)cc1Br)c1nnc(-c2cccs2)o1 78739096 IDBSUUFBDYWWBN-QMMMGPOBSA-N 369.215 4.840 0 40 FJAB COc1ccc(C(C)=O)cc1CN1CC=C(c2c[nH]c3ccccc23)CC1 89292005 JFKKHOQSCDFDCR-UHFFFAOYSA-N 360.457 4.668 0 40 FJAB O=Cc1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12 216961649 ZFCMHTZKBYZUBJ-UHFFFAOYSA-N 355.393 4.721 0 40 FJAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219308875 LWNXRYMFLBMSCH-IBGZPJMESA-N 372.440 4.767 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 223348451 ZPQXOXQWRIUVDV-OAQYLSRUSA-N 353.506 4.902 0 40 FJAB CO[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@H](C)C1 225633941 OYWYNLDOZIXESP-HTAPYJJXSA-N 353.462 4.799 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)cc1C)CC(C)(C)O2 225680743 FKOOKSZLCOGUJH-SFHVURJKSA-N 370.518 4.901 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225807891 ADBHMDPTBKZGSF-UHFFFAOYSA-N 369.852 4.832 0 40 FJAB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OC 408556541 KOQHJLCYVOAWFG-GOSISDBHSA-N 363.866 4.526 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1Cc3ccccc3[C@H]21 408995017 KQUAONGFGFTUGA-PWRODBHTSA-N 359.400 4.995 0 40 FJAB CCCC[C@@](C)(O)C/C=C/C1=C(O)CC(=O)[C@@H]1CCCCCCCO 1560405435 XXCSGBOSMKPKOV-GKPCGMKMSA-N 352.515 4.608 0 40 FJAB COc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C 1221546 GGWMLYQLEWKSHC-UHFFFAOYSA-N 352.459 4.591 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1244100 ITCPEPHYFDREAC-SFHVURJKSA-N 350.805 4.925 0 40 FJAB Clc1nc(Nc2ccccc2Cl)c2cnn(-c3ccccc3)c2n1 1718476 YGJHVMUCYNTDFN-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB Cc1ccc(-c2csc3ncnc(SCC(=O)OC(C)C)c23)cc1 1935756 PRSSTOIUMXOFHV-UHFFFAOYSA-N 358.488 4.710 0 40 FJAB S=C1N(c2ccccc2)[C@@H](c2c(Cl)cccc2Cl)N2CCCN12 2325047 YBCGBOJGOYQVQM-INIZCTEOSA-N 364.301 4.720 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(C2=C(c3ccccc3)COC2=O)s1 3362391 ZXOVEUPYPIJRQB-UHFFFAOYSA-N 351.402 4.725 0 40 FJAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2)[C@H](c2ccccc2)C1 3844294 ZKQQOOHTHSRIDX-GOTSBHOMSA-N 355.437 4.974 0 40 FJAB biogenic CCC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4107606 NULWXROOXRHOAN-LJQANCHMSA-N 350.462 4.752 0 40 FJAB Clc1ccc2c(c1)[C@@H]1CC(c3cccnc3)=NN1C1(CCCCC1)O2 4715937 POSMVARYMICLNG-SFHVURJKSA-N 353.853 4.939 0 40 FJAB CN(C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)C1CCCCC1 5147229 ALHMDOYWBLMAJC-UHFFFAOYSA-N 371.481 4.536 0 40 FJAB COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NN=C(c1ccccc1)N2 5908842 CJEJSIUORMPNKJ-UHFFFAOYSA-N 361.832 4.973 0 40 FJAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 6355754 DQYMAAQCNHOJEN-LDADJPATSA-N 353.443 4.630 0 40 FJAB O=C(COc1ccc(F)cc1Br)Nc1ccc2ccccc2c1 6942199 MXHLCKVXIHBXGI-UHFFFAOYSA-N 374.209 4.759 0 40 FJAB COc1cc(/C=C/c2ccnc3ccccc23)cc(Br)c1O 7366958 WIRDBXHBRVYVII-VOTSOKGWSA-N 356.219 4.882 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)NC(C)(C)C)C3CCCCC3)n2)cc1 7781748 MHUYYXOIIJHQMY-UHFFFAOYSA-N 370.497 4.688 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9346952 XGIYWGWJJRFEKS-ZDUSSCGKSA-N 355.488 4.633 0 40 FJAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3NC23CCC(C)CC3)cc1 9423465 QPDSFANZJZDOOU-UHFFFAOYSA-N 363.461 4.624 0 40 FJAB COc1ccccc1[C@H](CCN[C@@H]1CCO[C@H](C(C)C)C1)c1ccco1 9531176 ADZJVPMVUQQIJT-LZNRXBQRSA-N 357.494 4.603 0 40 FJAB O=C(Cc1ccc2ccccc2c1)NCc1ccccc1OC(F)(F)F 10996552 UVNIUHZPMOBGRJ-UHFFFAOYSA-N 359.347 4.597 0 40 FJAB COc1ccc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 11865151 WRIQNWLHVHGNOU-UHFFFAOYSA-N 371.186 4.977 0 40 FJAB biogenic Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)cc(-c2ccccc2)n1 12016803 WOZZXIGXFFGWNG-ZDUSSCGKSA-N 367.449 4.710 0 40 FJAB Cc1noc(C)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185456 QGSROXJCKXAXLE-HNNXBMFYSA-N 371.462 4.765 0 40 FJAB O=C(N[C@@H](c1ccc2c(c1)CCC2)c1cccs1)c1ccc2[nH]cnc2c1 12547448 HSYWCFWMPHWHQH-NRFANRHFSA-N 373.481 4.633 0 40 FJAB CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 12548987 XMMGYXPOLADVRL-UHFFFAOYSA-N 373.465 4.618 0 40 FJAB Cc1ccccc1CN(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 12941955 FCPQNTCBVWPSTI-QHCPKHFHSA-N 361.485 4.534 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 13710369 LNNDEFLUXBNNEY-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2OC2CCCC2)on1 19120594 QLJZOCMIJIDYCD-LAUBAEHRSA-N 354.494 4.805 0 40 FJAB COc1ccc(OC)c(NCc2cccc(OCCc3ccccc3)c2)c1 19737820 PUVUNZLRXQSNGO-UHFFFAOYSA-N 363.457 4.937 0 40 FJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1c[nH]c2ccccc2c1=O 22233908 HPPTUQFAWFLDLT-UHFFFAOYSA-N 367.619 4.741 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCCc3ccc(Cl)cc3)ccc2c1 23055102 PWOCVTAMIAOTGS-OAHLLOKOSA-N 367.876 4.964 0 40 FJAB CCOc1ccc(-c2nc(CN3CCn4cccc4[C@H]3C)cs2)cc1 23706870 HPESQPYHUREUBG-OAHLLOKOSA-N 353.491 4.587 0 40 FJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCC(C)C)CC2 24445611 XLQGBMNHVPOYFP-OAQYLSRUSA-N 373.518 4.676 0 40 FJAB CC[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 24774930 MDQJPMMIGJMVMI-FQEVSTJZSA-N 355.457 4.645 0 40 FJAB COCc1cccc(NC(=O)c2ccccc2SCc2cscn2)c1 25335946 YFBADNDVLSJDRA-UHFFFAOYSA-N 370.499 4.834 0 40 FJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc4ccccc34)c12 27984857 FBPHPXLTIRDDIM-UHFFFAOYSA-N 356.429 4.560 0 40 FJAB CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(C)o2)cc1 28231900 AXVAQDMBNLSPNB-UHFFFAOYSA-N 353.418 4.812 0 40 FJAB O[C@@H](CN(Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(Cl)cc1 40050454 JVVAIRMZLDCYIU-IBGZPJMESA-N 373.880 4.547 0 40 FJAB O=C(Nc1cccc(-c2cnco2)c1)c1cc(-c2cccc(Cl)c2)on1 48241725 FYTOAFDJAPIJPN-UHFFFAOYSA-N 365.776 4.902 0 40 FJAB Cc1c(C(=O)Nc2cccc(CN3CCCCC3=O)c2)oc2ccccc12 50475056 XSTUYPBWKRZMJU-UHFFFAOYSA-N 362.429 4.506 0 40 FJAB CCCNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72213225 WJZAQDFMGNUPFU-LJQANCHMSA-N 353.466 4.767 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 75390137 GNBRWHQWPWSZDU-BBRMVZONSA-N 370.474 4.847 0 40 FJAB O=C(Nc1cccc(OC2CCCC2)c1)N1CCO[C@H](c2ccccc2)C1 76124698 HBLOEFZWJJUBGK-NRFANRHFSA-N 366.461 4.613 0 40 FJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 77200110 XCFWNIRFZVNQBC-CVEARBPZSA-N 372.852 4.630 0 40 FJAB Cc1ccc(-c2noc(CCCN3CC[C@@H](c4ccccc4)C3)n2)cc1F 84185408 YZVTXPZIXDSYOV-LJQANCHMSA-N 365.452 4.606 0 40 FJAB O=C(Nc1nc(-c2cccc(O)c2)cs1)C1(c2ccc(Cl)cc2)CC1 84374515 FYWYLEVCCWJHKU-UHFFFAOYSA-N 370.861 4.839 0 40 FJAB Fc1ccc(COC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 91886664 CZCRUGZDNXMSIE-UHFFFAOYSA-N 366.436 4.662 0 40 FJAB CC1=C(C(=S)Nc2ccccc2)[C@@H](c2ccc(C)cc2)NC(=S)N1C 100857989 LERPQAHMXOBUFX-GOSISDBHSA-N 367.543 4.570 0 40 FJAB COc1cc(CNC(=O)C2(c3ccccc3)CCCC2)ccc1OC(C)C 222755497 AEMZCFVMJMJSGV-UHFFFAOYSA-N 367.489 4.611 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224813544 JEWLYUDOWUELIZ-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Sc3ccccc3)ccc21 225131927 OEPXBGWRTHYXNK-CYBMUJFWSA-N 372.515 4.763 0 40 FJAB CCOc1ccccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225770284 JCSLRVUJSLBLIV-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB Cc1cccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)c1 225814910 GDIBYJSNYBDCPZ-AWEZNQCLSA-N 369.852 4.508 0 40 FJAB CCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226352715 JKVZBLXUTFIHOU-UHFFFAOYSA-N 366.211 4.536 0 40 FJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccc2ncsc2c1 390827403 GXGGZZKTFHCEKY-UHFFFAOYSA-N 370.437 4.863 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3)sc2C)c(OC)c1 408836117 YXLYOKFUQAMFJR-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(C)=O)c3)o2)C1=O 409010968 GMYVKFBUDIAMTN-HWQJWEFDSA-N 369.442 4.984 0 40 FJAB O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl 409061344 DCNOJTLSJKTLSO-ZSOIEALJSA-N 366.225 4.940 0 40 FJAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1624344505 JJXQTXNSOMARLX-CXAGYDPISA-N 368.481 4.950 0 40 FJAB CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 666147 CALLSKHBTUXTSD-UHFFFAOYSA-N 362.882 4.881 0 40 FJAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1)c1nc3ccccc3nc12 1020362 DGZHWVVWNGREHA-PKTZIBPZSA-N 357.457 4.598 0 40 FJAB biogenic Clc1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 2448542 UNAOHNFVHZOMEQ-UHFFFAOYSA-N 352.850 4.761 0 40 FJAB CCc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)s1 2738383 YMKLYWWQAWZZDV-UHFFFAOYSA-N 374.469 4.876 0 40 FJAB CCn1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)c(C)n1 2769439 CIZIKLJBDGGGQL-UHFFFAOYSA-N 368.289 4.663 0 40 FJAB CN(C[C@@H](O)COc1ccc2oc3ccccc3c2c1)C1CCCCC1 3305291 LRNXSFRHSVLSPN-QGZVFWFLSA-N 353.462 4.590 0 40 FJAB CCCCOc1ccc([C@H]2NC(=S)NC3=C2CCc2ccccc23)cc1 3771585 YBLQMVGOPFIXLJ-HXUWFJFHSA-N 364.514 4.742 0 40 FJAB Cc1ccccc1-c1nnc(NC(=O)c2ccccc2Br)s1 4070370 MELSBVSZHCUPCR-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB O=C(C1CCCCC1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120460 DXSPTCSOGURKNT-UHFFFAOYSA-N 370.440 4.717 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)o1)c1sc2ccccc2c1Cl 4276178 VBNAKOSQLDCJGK-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB COc1cccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c1OC 4479384 UCMCZLGMYPQYAK-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CCOC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12 4785806 IDGKEILQEAWNKJ-UHFFFAOYSA-N 372.218 4.547 0 40 FJAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 4949274 ZXLFIXUAIBHNAN-RHVDMSBWSA-N 373.412 4.704 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 5017609 BATNOXOVLRQUJW-LLVKDONJSA-N 368.487 4.686 0 40 FJAB CCSc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 6788109 ZWWPWDRDSPIHCW-SNVBAGLBSA-N 363.533 4.803 0 40 FJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc2c(c1)OCO2 8060237 BUHPHDBFJQZUED-UHFFFAOYSA-N 372.833 4.753 0 40 FJAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)cs1 8303214 XQCITQALCOLZJS-CYBMUJFWSA-N 370.449 4.661 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(Nc4ccc5c(c4)OCCCO5)c23)C1 9466283 ZFECMZLTWCZFFK-GFCCVEGCSA-N 367.474 4.721 0 40 FJAB C[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccnc1 9470998 WSVQQCCKWVTWBO-MRXNPFEDSA-N 372.424 4.898 0 40 FJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 10405825 AVRZEOPDZFMBGM-UHFFFAOYSA-N 367.232 4.776 0 40 FJAB CCn1c(NC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc21 10543446 LGALTYJBDADNOS-UHFFFAOYSA-N 355.441 4.827 0 40 FJAB COC(=O)c1sc2ccccc2c1NC(=O)CSCc1ccccc1 10591375 PRCYMIYHXHGBMW-UHFFFAOYSA-N 371.483 4.560 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1Cl 11636858 FBLNJKPUUUPVQW-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc2ccccc12 12730068 VSSYGCXQZLHNNW-UHFFFAOYSA-N 354.400 4.579 0 40 FJAB O=C(Nc1ccc(Br)cc1Br)[C@@H]1CC=CCC1 12790865 SDCVVMATSUVRSO-SECBINFHSA-N 359.061 4.506 0 40 FJAB c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4nccnc4c3)C2)cc1 12821432 AMCHDZQTAAQEAG-QHCPKHFHSA-N 350.425 4.986 0 40 FJAB CC(C)(C)c1cc(NC(=O)c2ccc(Cl)o2)n(Cc2ccccc2)n1 13008593 HFDAIFPOSUIKQG-UHFFFAOYSA-N 357.841 4.728 0 40 FJAB CC[C@H]1CN(Cc2ccccc2)Cc2cc3cc(OC)cc(C)c3nc2O1 13563882 NWZHXOLRJRKHBY-FQEVSTJZSA-N 362.473 4.725 0 40 FJAB CC(C)Oc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13679979 FOAWKWMZCIQTJI-UHFFFAOYSA-N 374.289 4.723 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 13687006 BIXMYORYMPVMEH-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)c1 14609620 HDLWZTUCOPRSRW-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C(F)(F)F)c1 15577832 RIBYVBIEVVGRHL-SFHVURJKSA-N 374.362 4.608 0 40 FJAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 15603731 NHPAZUKVPYIHAI-UHFFFAOYSA-N 352.312 4.526 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)O)[C@@]4(C)CC[C@@H]32)C1 17058327 WVHKCBDRQIXZLC-GIPCDWCDSA-N 360.494 4.582 0 40 FJAB CCOc1cc2c(cc1CNC1(c3ccccc3F)CCCC1)OCO2 19532545 KSEIZNYPNYKXAC-UHFFFAOYSA-N 357.425 4.512 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)OCCCO2 19598349 IRWCZENXDIFBBU-UHFFFAOYSA-N 357.409 4.671 0 40 FJAB Cc1ccc([C@@H](NS(=O)(=O)Cc2cccc(C)c2)c2ccccc2)cc1 20111174 RUIUBLNHJATGGK-QFIPXVFZSA-N 365.498 4.512 0 40 FJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)CCCC(C)C)cc1 21248067 PTRXFYPJUYRDQT-INIZCTEOSA-N 372.509 4.744 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 23058335 VXVUYFHVGUYBOW-JKSUJKDBSA-N 368.477 4.801 0 40 FJAB Cc1cccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27747237 OYAPNTHAWVHQAP-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2cccnc2)cc1 28922986 AHMQTLNWHSBCAF-JOCHJYFZSA-N 373.456 4.637 0 40 FJAB COC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 34852776 BNPKAZWKGDHAIE-NRFANRHFSA-N 366.505 4.555 0 40 FJAB Cc1ccccc1OCCCn1c(CN2CCCCC2)nc2ccccc21 35167745 OWKXUQKBCKDMMY-UHFFFAOYSA-N 363.505 4.800 0 40 FJAB Cc1ccc(-c2csc3c(=O)n(CCOc4ccccc4)cnc23)cc1 38655071 LJYZYQSIULAJFF-UHFFFAOYSA-N 362.454 4.512 0 40 FJAB NC1=N[C@H]([C@H](O)c2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)S1 59500974 MTLLXUNOCJBIAC-NJYVYQBISA-N 360.482 4.558 0 40 FJAB CC(C)CCn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O 70666368 SOSPOORCNGOICY-UHFFFAOYSA-N 373.456 4.781 0 40 FJAB biogenic O=C(Nc1ccc(-n2ccnc2)cc1)Nc1ncc(-c2ccccc2)s1 72289097 FASJXGDUGUTTGK-UHFFFAOYSA-N 361.430 4.640 0 40 FJAB O=C(c1ccccc1)c1cccc(NCc2nnc(-c3ccccc3)o2)c1 79068396 FHTLWSWCAWYLTD-UHFFFAOYSA-N 355.397 4.580 0 40 FJAB CCO[C@@H](C)c1nc(C(=O)N2CCCC(C)(C)c3ccccc32)cs1 95444872 DWWWZBLCBOMEIM-AWEZNQCLSA-N 358.507 4.959 0 40 FJAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccc(C)s2)C3)c1 96046637 UJDUHCZVWNNBCM-UHFFFAOYSA-N 370.562 4.553 0 40 FJAB CN(C)c1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCC2=O)s1 96346804 MTFSLDPDEVKZDS-DLBZAZTESA-N 355.503 4.930 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 104068695 OBZYXEMSAJPCRP-ABOAMBILSA-N 374.521 4.813 0 40 FJAB O=C(O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 156890863 BYFNFCZRQOMHKV-UHFFFAOYSA-N 352.571 4.609 0 40 FJAB Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219470248 ODZFBMHWCSWFFJ-KRWDZBQOSA-N 372.468 4.766 0 40 FJAB C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc2c(c1)CCCC2 222999289 USWOJQJTPMUVNC-KRWDZBQOSA-N 363.501 4.700 0 40 FJAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccc(Cl)cc1Cl 223090865 JZIXDEBDGNIXGQ-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221322 XJAFOWCYWQASHS-LAUBAEHRSA-N 351.490 4.827 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 223249154 KDMUNVSPVFQWCF-UHFFFAOYSA-N 365.395 4.832 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1C 225371447 KXIPEHRDYKMAOR-JTSKRJEESA-N 351.490 4.909 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225642856 QVGQYHNWXUYXBA-MRXNPFEDSA-N 358.507 4.536 0 40 FJAB CCOc1cc(CNC(=S)Nc2ccc(C)c(Cl)c2)ccc1OC 225770327 IDOFUUKACKROMI-UHFFFAOYSA-N 364.898 4.542 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)NC3CCCCCCC3)cc2)n1 225914155 DMCHWNDZKHRBMM-UHFFFAOYSA-N 352.482 4.680 0 40 FJAB COc1cccc(Oc2ccc(NC(=S)NCc3ccccc3)cc2)c1 408585320 DJVXUFHJAFPSKY-UHFFFAOYSA-N 364.470 4.974 0 40 FJAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)c1 408697633 IVNHNOIJQYOQJV-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB O=C(c1ccnc(Oc2ccccc2)c1)N1CCCc2ccc(F)c(F)c21 537696480 HRPMZDUKUGUFMJ-UHFFFAOYSA-N 366.367 4.745 0 40 FJAB CC(C)(c1ccc(NC(=O)N2CCO[C@](C)(C3CC3)C2)cc1)C(F)(F)F 666890036 CNTVNKLZLYCAIY-SFHVURJKSA-N 370.415 4.559 0 40 FJAB Cc1ccc2nc3n(c2c1)C(=O)[C@@H]1C2c4ccccc4C(c4ccccc42)[C@H]31 988082 AEVLAQMBVRXWGD-ZSTXGWIISA-N 362.432 4.989 0 40 FJAB O=C(Nc1ccc(Br)cn1)c1sc2ccccc2c1Cl 1036352 PVBKTANUUGZCRC-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB CCCCCCn1c(N)c(C(=O)O[C@@H](C)CC)c2nc3ccccc3nc21 2412216 PSMVPLKPYFWFGB-AWEZNQCLSA-N 368.481 4.702 0 40 FJAB CC(c1ccc(C(=O)C(F)(F)F)o1)c1ccc(C(=O)C(F)(F)F)o1 2491008 USJGXIGCHJAVHW-UHFFFAOYSA-N 354.202 4.514 0 40 FJAB Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccc(F)cc3c2=O)cc1 2689898 YWHSHGCLBPMPAM-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1ccccc1)c1ccccc1 2743825 LHIGPBDUJYKUDO-HMMYKYKNSA-N 357.409 4.637 0 40 FJAB O=C(CSc1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1 3371166 CYTIDSCFLFZUBF-UHFFFAOYSA-N 362.426 4.819 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C)c(C)c2)CSC3)c1 3892422 XDTFMTRVYMJHHH-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB COc1ccc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OC 4538911 UTQKQIYSYJWKRA-UHFFFAOYSA-N 361.397 4.784 0 40 FJAB biogenic CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1nccs1 4849464 ZIHYLIYYIQYSGU-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)c3ccccc3SC)nc12 5256636 HYONPJYCEZMSRT-UHFFFAOYSA-N 364.879 4.933 0 40 FJAB O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccccc2F)no1 5562358 TXRKORKILUJULN-UHFFFAOYSA-N 365.408 4.605 0 40 FJAB COc1ccc(-c2nnc(S[C@H](C)c3ccc(F)cc3)o2)cc1OC 6035633 BCSACRYPQWAGMY-LLVKDONJSA-N 360.410 4.746 0 40 FJAB Cc1ccc(OCCCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6052350 PFIAVJVQAIHJCZ-HYMXPIOVSA-N 355.522 4.875 0 40 FJAB COc1ccc2c(CC(=O)Nc3nc(-c4cccs4)cs3)coc2c1 6216944 KQCHPYBZVRQJBS-UHFFFAOYSA-N 370.455 4.808 0 40 FJAB CCN(CC)c1ccc2cc(NC(=O)c3ccc(Cl)cc3)c(=O)oc2c1 6589990 HBDVNMWUUXMTGY-UHFFFAOYSA-N 370.836 4.545 0 40 FJAB CCc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 7062303 MPRRJYDFAXQLTG-UHFFFAOYSA-N 365.458 4.583 0 40 FJAB COc1ccccc1CNC(=O)c1ccccc1SCc1ccccc1 7684696 QEBMLXWYLOANNB-UHFFFAOYSA-N 363.482 4.918 0 40 FJAB Cc1cccc(Oc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)c1 7899937 HXPWXKOWUKSTCA-UHFFFAOYSA-N 370.408 4.881 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3C)n2)cc1 7947349 KENHSGGCVFKFGL-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)CCC2 8136300 UODHRYPAMAWZRM-UHFFFAOYSA-N 359.454 4.804 0 40 FJAB COc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3o2)C2CC2)cc1 8165398 DGXIOEGQZOGVRO-UHFFFAOYSA-N 355.821 4.900 0 40 FJAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 8429637 MZJHTCQBITYXTG-UHFFFAOYSA-N 359.740 4.690 0 40 FJAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1 8862548 URINTBWRYSKEDR-MRXNPFEDSA-N 369.317 4.622 0 40 FJAB O=C(/C=C/c1ccccc1Br)N1CCC[C@H]1c1ccccc1 9957015 DCSZWXUWSCCGBD-HHNLSAEISA-N 356.263 4.826 0 40 FJAB C[C@H](CNC(=O)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F 10638801 NWHMHUVQYXQQIZ-GFCCVEGCSA-N 369.371 4.711 0 40 FJAB CCOc1ccc(-c2cc(NC(=S)Nc3ccc(Cl)cc3)n[nH]2)cc1 12411973 AXSYBSGCBKRIAE-UHFFFAOYSA-N 372.881 4.938 0 40 FJAB O=C(NCc1ccccc1OC(F)F)c1ccc2[nH]c3c(c2c1)CCCC3 12814639 YVZAQNWNHDCZED-UHFFFAOYSA-N 370.399 4.578 0 40 FJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 12853435 QABXNAQRUPRPHE-KRWDZBQOSA-N 370.452 4.582 0 40 FJAB C[C@]12CC[C@H]3[C@H](CC[C@@H]4C/C(=N/O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1 12859272 WSWBLRYWYTUKKN-KHRYLRMHSA-N 367.489 4.799 0 40 FJAB CC(C)c1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 12874900 SJKVICHBNHZJIL-QGZVFWFLSA-N 356.491 4.505 0 40 FJAB Cc1ccc(-c2nn(CN3CCC[C@H]3c3ccccc3)c(=S)n2C)cc1 12924610 VWSBXWMQXRGPOL-IBGZPJMESA-N 364.518 4.721 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(C)cc2F)cc1 12975632 CXEJMNQWHBRMCE-NRFANRHFSA-N 370.468 4.699 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 13009494 QKPLMGQSBBGXLW-UHFFFAOYSA-N 374.765 4.840 0 40 FJAB O=C(NCCCN1CCCCC1)c1ccccc1SCc1ccccc1 13667760 LORCRTRNDZWOTK-UHFFFAOYSA-N 368.546 4.585 0 40 FJAB Cc1cccc(NC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 14014287 IIGHIYJWIQXOLE-FQEVSTJZSA-N 354.450 4.675 0 40 FJAB Cc1cc(OCC(=O)N(Cc2ccco2)c2ccccn2)cc(C)c1Cl 15669846 LEYJEMLNOMEUEV-UHFFFAOYSA-N 370.836 4.557 0 40 FJAB CC(C)Oc1ccc([C@@H](O)c2nc(-c3ccncc3)cc3ncccc23)cc1 19717984 HIUBMURBZCKULC-HSZRJFAPSA-N 371.440 4.561 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 19933712 YFQHUKZHIYXQKV-KRWDZBQOSA-N 363.866 4.621 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1C 20458124 BOPJPRPDSMDDGS-CYBMUJFWSA-N 352.261 4.694 0 40 FJAB COc1ccc([C@H]2CCCCCN2CCC(=O)Nc2ccccc2)cc1 22199936 IUXKVUTWQSDFGY-OAQYLSRUSA-N 352.478 4.641 0 40 FJAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccc(Cl)cc1 23126186 QXNMFFNLUMLVSH-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB C(=C/c1cc2ccccc2nc1N1CCOCC1)\c1nc2ccccc2s1 23243426 OSHAMZCVUKHGCJ-MDZDMXLPSA-N 373.481 4.852 0 40 FJAB CCOc1ccc([C@@H]2CCCN2Cc2noc(-c3ccc(C)cc3)n2)cc1 24981881 VVSUJAQMDCECMZ-FQEVSTJZSA-N 363.461 4.781 0 40 FJAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)ccc1Cl 29470590 YFWDERUXVNVFLV-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB C[C@H](SCc1csc(-c2ccco2)n1)C(=O)Nc1ccccc1F 31421203 ZCUBUITZAPKXRT-NSHDSACASA-N 362.451 4.803 0 40 FJAB Cc1ccc(-c2ccc(OCC(=O)N(C)Cc3ccsc3)cc2)cc1 32745131 LVKMCGLMOZDAPY-UHFFFAOYSA-N 351.471 4.761 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[C@@H]1c1cccs1 32988658 KGOLKAUNDPEHDW-GOSISDBHSA-N 365.502 4.587 0 40 FJAB CC(C)OC(=O)C(C)(C)Oc1ccc([C@H](O)c2ccc(Cl)cc2)cc1 35644035 JUAWSFKKGMCGEL-GOSISDBHSA-N 362.853 4.531 0 40 FJAB in-vitro Cc1ccc(Oc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nn1 38670761 NXLWDTGFXIOGLF-UHFFFAOYSA-N 373.334 4.848 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412378 QJVZEKPRWLSPTR-UHFFFAOYSA-N 362.216 4.644 0 40 FJAB CCSc1ccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cn1 58015715 MKGHMDBGKLRVOJ-UHFFFAOYSA-N 370.396 4.525 0 40 FJAB O=C(CSCc1cccnc1)N[C@H](c1ccccc1)C1CCCCC1 58157611 BSVIVPHFKKTSFW-OAQYLSRUSA-N 354.519 4.753 0 40 FJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cnc(C(C)(C)C)nc1 65498383 KELUJOUNVGNCRW-UHFFFAOYSA-N 367.280 4.745 0 40 FJAB Nc1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCCC1 72229287 LSHDYNNNSJXRMH-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB CN(C(=O)c1ccnc(N2CCC[C@@H]2c2cccs2)c1)c1ccccc1 72307776 LCQDQDKALFHGJB-GOSISDBHSA-N 363.486 4.761 0 40 FJAB O=C(c1cccc2ccccc12)N1CCC(CSC2=NCCS2)CC1 85472360 UODGQXZSLJLHDF-UHFFFAOYSA-N 370.543 4.528 0 40 FJAB O=C(CCc1cccc(Cl)c1)NCc1cccc(Oc2ccccn2)c1 96382517 COCZGYGPRTVZBG-UHFFFAOYSA-N 366.848 4.776 0 40 FJAB Cc1csc(/C(=C/c2ccccc2)c2nc(-c3ccc(O)cc3)no2)n1 96919769 USVRZIFHYONCSC-GZTJUZNOSA-N 361.426 4.796 0 40 FJAB CCCOc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101015988 PNZVITPVKCYSEN-QGZVFWFLSA-N 374.278 4.541 0 40 FJAB Cc1ccc(-c2cs/c(=N/c3ccccc3)n2C[C@H]2CCCO2)cc1 102680091 QOUYJZQTDMSETI-XKXPVHLMSA-N 350.487 4.936 0 40 FJAB CCCC(=O)Nc1cccc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1C 108370549 RWBAPVOYCAHFIM-QUCCMNQESA-N 365.521 4.981 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)cc(C)c1C 218969374 FFBGLTAOZBSMJF-IBGZPJMESA-N 367.489 4.718 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OC(C)C 219744761 ZWDRLUAVRBXDTB-SFHVURJKSA-N 353.462 4.814 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc2ccccc2c1 222745995 HUKKEWFFFWCMBI-UHFFFAOYSA-N 360.240 4.842 0 40 FJAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 222995645 JLAKSKITTCEBOY-QGZVFWFLSA-N 359.469 4.975 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 224378104 OPXGOOOACZMYHM-KRWDZBQOSA-N 355.478 4.891 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)c1 225484642 WTWYVBLCMCXYNQ-GOSISDBHSA-N 356.491 4.609 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccccc2OC)c2ccccc2O1 225605481 LKCFEUHIKZEXMK-JUWJPQTCSA-N 365.473 4.907 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)s2)cc1 225667451 CXZGYSMFPWOAKX-ZHACJKMWSA-N 355.850 4.819 0 40 FJAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2cccnc12 225901186 ZWZRTVJVOXHFHQ-ZHRRBRCNSA-N 370.493 4.948 0 40 FJAB O=C1N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 409227970 YIJQJDCDLXFYLU-VGOFMYFVSA-N 367.619 4.744 0 40 FJAB O=C(O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)CC1 566625486 UJYYGOMDBUOLSR-GOSISDBHSA-N 364.272 4.999 0 40 FJAB Cc1n[nH]cc1C1CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 585082107 GVQGERRBZCRDGY-UHFFFAOYSA-N 373.928 4.737 0 40 FJAB O=C(CC1=CCCCC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 1146735326 LGOYRDMWOCQQMZ-FCHUYYIVSA-N 353.506 4.516 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cccc(F)c4)c(N)c3cc2C1 661920 LHGDXCUEBWDEAR-NSHDSACASA-N 369.465 4.785 0 40 FJAB CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 680119 LWEOYFXJSYLPFH-UHFFFAOYSA-N 358.869 4.552 0 40 FJAB Nc1nc(N)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2n1 799198 KIUAIZLAHVZKKO-UHFFFAOYSA-N 369.453 4.738 0 40 FJAB O=C(Nc1ccccc1)Nc1nnc(CSCc2ccccc2)s1 811257 QTKHQUMRPLZUGR-UHFFFAOYSA-N 356.476 4.616 0 40 FJAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1C1CCCCC1 906676 XTCQNZVHAPYVOD-HNNXBMFYSA-N 372.538 4.773 0 40 FJAB CCOc1ccc(Br)cc1/C=C/C(=O)N[C@@H](C)c1ccccc1 941451 QDHWITWRPRSDIA-TZIYXEQSSA-N 374.278 4.738 0 40 FJAB Brc1cc(Br)c2nc(-c3ccccc3)cn2c1 1103223 CYZRGZRBOCUVME-UHFFFAOYSA-N 352.029 4.526 0 40 FJAB CC(C)Cc1nc2oc3c(NCc4ccco4)ncnc3c2c2c1CCC2 2436090 BIYGXHJECRSOOG-UHFFFAOYSA-N 362.433 4.663 0 40 FJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)o2)cc1 2634075 VPVOEYZWNAVLOW-CQSZACIVSA-N 368.458 4.726 0 40 FJAB CCOc1ncccc1C(=O)Nc1cc2oc3ccccc3c2cc1OC 2660451 GZXVSMQXJXFIJJ-UHFFFAOYSA-N 362.385 4.641 0 40 FJAB Cc1cc(O[C@H]2OCCO[C@H]2Oc2ccc(Cl)cc2C)ccc1Cl 3187407 AZPWQBPPTIVSPI-MSOLQXFVSA-N 369.244 4.767 0 40 FJAB COc1ccc(N2C(=O)C(F)(F)[C@H]2c2cccc3ccccc23)cc1OC 3366339 PVEJHPCERGMTFW-LJQANCHMSA-N 369.367 4.580 0 40 FJAB COc1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1OC 3444455 MMOKKUZKBPJUFV-UHFFFAOYSA-N 361.850 4.502 0 40 FJAB COc1ccc2c(CC(=O)Nc3cc(C)c(Cl)cc3OC)coc2c1 3551920 GTMCWGWVUHALCX-UHFFFAOYSA-N 359.809 4.593 0 40 FJAB CSc1ccc([C@](O)(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1 3850478 PFLUYVDPPNNHND-QFIPXVFZSA-N 364.466 4.786 0 40 FJAB biogenic O=C(c1cccc2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1 4314943 LMPDCOVHMZJHDI-UHFFFAOYSA-N 355.441 4.736 0 40 FJAB CCc1nc(SCC(=O)c2ccccc2)c2c3c(sc2n1)CCC3 5024586 WVBIXAPXVBGQOA-UHFFFAOYSA-N 354.500 4.717 0 40 FJAB COCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 5156682 BCRGRQREXUYSAR-UHFFFAOYSA-N 360.461 4.590 0 40 FJAB CSc1nc(N2CCCC[C@H]2C)c2c3c(sc2n1)COC(C)(C)C3 5324440 QWUQYGBIKXGLHK-LLVKDONJSA-N 363.552 4.643 0 40 FJAB Cc1ccccc1-c1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)o1 5434762 VYEMHQZHDVDICR-UHFFFAOYSA-N 368.502 4.923 0 40 FJAB Cc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1C1CCCCC1 5865380 BPUJOYITTRHQGE-ZDUSSCGKSA-N 368.506 4.937 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219481 XBIQNIFGZNICKQ-UHFFFAOYSA-N 364.804 4.923 0 40 FJAB Clc1ccccc1OCc1nnc(SCc2nc3ccccc3o2)o1 6879905 SMKMHQXQABHWOI-UHFFFAOYSA-N 373.821 4.736 0 40 FJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(C)cc1 6940689 ZAGVINAWWVUUJU-UHFFFAOYSA-N 372.417 4.883 0 40 FJAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)c1c[nH]c2ccccc12 8710082 SSKMIBIJBQUFFB-UHFFFAOYSA-N 351.406 4.672 0 40 FJAB CCSc1ccc(CC(=O)Nc2nc3c(OC)cccc3s2)cc1 10252429 KUCASXPWGOTWEH-UHFFFAOYSA-N 358.488 4.598 0 40 FJAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)no2)cc1 11916409 MMNJZKWAXJKUPN-UHFFFAOYSA-N 358.191 4.632 0 40 FJAB O=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1 11923363 PDOSSCNZKILSLU-UHFFFAOYSA-N 359.454 4.912 0 40 FJAB Cc1cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)n1C 13984889 FORBGAFGOKDCIN-UHFFFAOYSA-N 373.880 4.533 0 40 FJAB O=C(OCc1coc(-c2cccs2)n1)c1sccc1-n1cccc1 14173330 KTLJYVQVCAEAJE-UHFFFAOYSA-N 356.428 4.612 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 14257149 UBUZHFHACMJONT-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB FC(F)(F)c1cnc(NCc2ccc(Cn3cccn3)cc2)c(Cl)c1 16738573 ONRQWQNJPGKHPX-UHFFFAOYSA-N 366.774 4.611 0 40 FJAB CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21 16975781 STARTUSEPHAJAL-UHFFFAOYSA-N 350.447 4.698 0 40 FJAB CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1 20603059 LRWHDPGRBBUMOH-UHFFFAOYSA-N 367.403 4.609 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 21358555 YJAFNULWLFQKBY-SNVBAGLBSA-N 363.866 4.565 0 40 FJAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 21801474 ICRLMGCXLUOMQN-UHFFFAOYSA-N 353.857 4.672 0 40 FJAB O=C(OCc1sc2ccccc2c1Cl)c1cnc2ccccc2n1 21837772 SYSYIDVIQRYGEJ-UHFFFAOYSA-N 354.818 4.855 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 26315616 FMCXMHNYQPNELV-KBPBESRZSA-N 373.884 4.762 0 40 FJAB Cc1ccccc1Cn1ccc(NC(=O)Nc2ccccc2C(F)(F)F)n1 27916280 LOAKUEBYFCLZBP-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB Cc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c2ccccc2n1 27977100 GEKNUUFUSODZGB-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB O=C(NC[C@@H](c1ccccc1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 28292011 IXNYAKRQUZEWFR-GAWOJFTKSA-N 366.549 4.546 0 40 FJAB CCCCCC[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 32801821 TVBRZMGYINOIBH-INIZCTEOSA-N 351.922 4.531 0 40 FJAB Cn1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1=O 42089806 LYKPXMYYAJQZCH-UHFFFAOYSA-N 374.465 5.000 0 40 FJAB CCC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 44105820 MJFSEXROLGWXRK-CYBMUJFWSA-N 351.406 4.664 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2ccc(C)c(C)c2)c2ccccc2)cc1 44840008 LUAIGKPIVUEBFG-DEOSSOPVSA-N 359.469 4.896 0 40 FJAB CNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1Cl 56693687 LUQOFVCKRUYCHS-KRWDZBQOSA-N 373.884 4.609 0 40 FJAB C[C@H](NC(=O)CCCCN1CCCC1)c1ccc(-c2ccccc2)cc1 58412178 ANYCCRJFUFUCQP-IBGZPJMESA-N 350.506 4.797 0 40 FJAB C[C@H](N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cc(Cl)cc(Cl)c1 102232547 UVLRPZABEUVMBQ-SMXCXOSKSA-N 355.309 4.735 0 40 FJAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c(C)c1 205611249 AGXVZVJYTWJQCQ-STZFKDTASA-N 374.440 4.614 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C)cc2C)cc1 222828058 XIHZFBMVDFBMQN-HXUWFJFHSA-N 355.478 4.594 0 40 FJAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(OC)c(C)c1 222842474 WGWDWGCDCIRNLL-LJQANCHMSA-N 357.519 4.894 0 40 FJAB CC[C@H](NC(=O)COc1ccccc1Cl)c1ccc2c(c1)CCCC2 223081659 QMQLVVBVJNRSTL-IBGZPJMESA-N 357.881 4.865 0 40 FJAB NC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225494378 LMMPHKGCVZCBAU-UHFFFAOYSA-N 353.809 4.557 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C)n1 225867018 LBLLBDQAYDVPLH-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c2ncccc12 225898112 QAGXDTQGQMDAJC-NRFANRHFSA-N 358.482 4.948 0 40 FJAB CC(C)c1ccc(OCC(=O)NCc2ccnc(-c3cccs3)c2)cc1 238828817 FKGZKTTUGNKCDB-UHFFFAOYSA-N 366.486 4.629 0 40 FJAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccco1 409200272 RCZKSIPRZNFPPL-DQRAZIAOSA-N 360.438 4.755 0 40 FJAB Clc1ccccc1COc1ccccc1-c1nc([C@@H]2CCCO2)no1 551953446 VDKSNYBTHLGDHC-KRWDZBQOSA-N 356.809 4.821 0 40 FJAB O=C(NCC[C@@H](CCO)c1cccs1)c1ccc(-c2ccsc2)cc1 575619514 GOIXIBMMGIEKTK-INIZCTEOSA-N 371.527 4.763 0 40 FJAB Cc1ccc(Nc2nc3nonc3nc2Nc2ccccc2F)cc1Cl 820934 ZMIDTPJFQGCQMX-UHFFFAOYSA-N 370.775 4.601 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 2621579 HHPOMVXZPMEYMN-UHFFFAOYSA-N 359.731 4.808 0 40 FJAB COc1ccccc1OCC(=O)Nc1ccccc1Oc1cccc(C)c1 2622094 LVPMKHNWNTUTRU-UHFFFAOYSA-N 363.413 4.813 0 40 FJAB CSc1ncccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 3330893 MTLDLZXJOWIIBO-UHFFFAOYSA-N 350.443 4.635 0 40 FJAB CN(CC(=O)Nc1ccccc1Cl)C(c1ccccc1)c1ccccc1 3436580 VPEWDNRSOLOUAV-UHFFFAOYSA-N 364.876 5.000 0 40 FJAB Cc1nn(C(=O)[C@@H]2CC=CC[C@@H]2Cc2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 4029557 CYAVNKZTKKKMGN-JPAWQOSXSA-N 360.501 4.953 0 40 FJAB biogenic CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c1 4703954 GMEVXAAANAQIFH-UHFFFAOYSA-N 369.273 4.519 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4815061 VQSKEVGFVMICGS-VQTJNVASSA-N 374.488 4.700 0 40 FJAB Cc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 4909641 NYLVETGNCXKYOC-UHFFFAOYSA-N 369.896 4.874 0 40 FJAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4910202 MFLKDGRAAGXPFF-AWEZNQCLSA-N 359.853 4.846 0 40 FJAB Fc1ccc(CNc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 5055210 JZTZFVDEOAHUJS-UHFFFAOYSA-N 369.403 4.696 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)o2)c1 5434670 QDUVXWXBSPIINQ-UHFFFAOYSA-N 367.474 4.773 0 40 FJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 5598837 MMZMJRHZNMTDLI-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB O=C(Sc1nc2ccccc2s1)c1ccc(Br)cc1 6238118 BYGOBRIPUPSPSX-UHFFFAOYSA-N 350.262 4.991 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(C)c2OC)c1 6263872 LRVHACZUWFNUKE-UHFFFAOYSA-N 360.841 4.648 0 40 FJAB Cc1cc2occ(CC(=O)OCc3nc4ccccc4s3)c2cc1C 7786015 QVFJSNUWSORNCM-UHFFFAOYSA-N 351.427 4.945 0 40 FJAB O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCc2[nH]c3ccccc3c2C1 9956140 IKEDTZBQFLHSIR-JKSUJKDBSA-N 350.849 4.510 0 40 FJAB COc1cccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 10040938 IHVIBGPFMQUAIP-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc2ccccc2c1 12525576 KVNSABRLGHNBQJ-UHFFFAOYSA-N 365.383 4.857 0 40 FJAB Cc1nc(COc2ccccc2C(=O)Nc2nc(C(C)C)cs2)cs1 12774156 UQOIBBHBDPDWCB-UHFFFAOYSA-N 373.503 4.863 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2cc(C)nc3ccccc23)c1 14075887 NWCPKMVPGWOMLP-UHFFFAOYSA-N 350.418 4.593 0 40 FJAB Cc1c(C(=O)Sc2nc3ccccc3o2)oc2c1[C@H](O)CC(C)(C)C2 16740269 LSIBAWUSRXJXFY-GFCCVEGCSA-N 357.431 4.668 0 40 FJAB CCN(C(C)=O)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712003 TVBGTXZVPJFFAN-LEWJYISDSA-N 359.416 4.720 0 40 FJAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccs1 21596637 AOJBNFXTRIEKCF-UHFFFAOYSA-N 374.465 4.745 0 40 FJAB COC(=O)c1ccccc1Sc1cc(OCc2ccccc2)ccc1N 22051041 YXKHHUQYDKLTNE-UHFFFAOYSA-N 365.454 4.786 0 40 FJAB in-vitro CN(C(=O)COc1ccccc1-c1ccccc1)c1nc2ccccc2o1 24927378 QYLXTZZCKIHMOV-UHFFFAOYSA-N 358.397 4.537 0 40 FJAB O=C(NCc1ccccc1)C1(Cc2nc3ccccc3s2)CCCC1 30822209 ZNEXNAFMEPSANE-UHFFFAOYSA-N 350.487 4.716 0 40 FJAB O=C(Nc1cccc(F)c1)Nc1cnn(Cc2c(F)cccc2Cl)c1 32610606 NPJZQMIUDPMSHC-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB O=C(c1cccc(OCc2cccs2)c1)N(Cc1ccco1)C1CC1 33007577 SXXOCKPLEPXCMK-UHFFFAOYSA-N 353.443 4.725 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)c1 33040086 DFSUTMWSMXJEAI-JKSUJKDBSA-N 360.457 4.720 0 40 FJAB COc1ccc(Cl)cc1NCCC(=O)N[C@@H](C)c1cccc(Cl)c1 48324554 VQQLLMSBGFCOIY-LBPRGKRZSA-N 367.276 4.681 0 40 FJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1C 49005545 ONBPXRZQGSXMAG-UHFFFAOYSA-N 362.477 4.781 0 40 FJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc2cc(Cl)ccc2[nH]1 57416212 MAUWKDLYXWAEDY-UHFFFAOYSA-N 352.743 4.770 0 40 FJAB Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccnc(Cl)c2)c1 59251779 VXPDTHWAOAFVBI-UHFFFAOYSA-N 368.868 4.779 0 40 FJAB CCCn1cc(-c2nc(-c3ccc(CC)cc3)no2)c(=O)c2ccccc21 64963680 ONECGJZCESBFLD-UHFFFAOYSA-N 359.429 4.691 0 40 FJAB O=C(/C=C/c1ccccn1)N(Cc1cccs1)c1ccc(F)cc1F 65504672 HHHXMEYRDGVAFJ-VQHVLOKHSA-N 356.397 4.668 0 40 FJAB Fc1ccc([C@@H]2CN(Cc3coc(-c4ccccc4Cl)n3)CCO2)cc1 68253608 NAHSJCHXZDTAGN-IBGZPJMESA-N 372.827 4.708 0 40 FJAB COc1ccc(C2=CCN(C(=O)[C@@]3(C)CCCc4ccccc43)CC2)cc1 72280684 MCYUDMJBIZRJED-DEOSSOPVSA-N 361.485 4.605 0 40 FJAB COC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 72334181 ICPNXUMQRJRVAK-UHFFFAOYSA-N 354.362 4.544 0 40 FJAB Cc1cc(C(=O)N(CC(F)(F)F)[C@H]2CCCc3cccnc32)c(C)s1 95462415 XZPYRTPGXVHBRZ-HNNXBMFYSA-N 368.424 4.842 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc(CC)no3)cc2)c1 96346610 BNKZEIOMRJJFOS-UHFFFAOYSA-N 365.433 4.730 0 40 FJAB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)c1 103706308 DJUOQWGQYNWGJG-QNGOZBTKSA-N 354.409 4.635 0 40 FJAB O=C(c1cnc2ccccc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1 117183312 IDIFWWGVCRMHMI-UHFFFAOYSA-N 366.848 4.572 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N1CCS[C@H](c2ccccc2F)CC1 219079310 VZIAVJCOTKYOCW-FQEVSTJZSA-N 368.477 4.556 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)S1 222561706 XHRPQTBLTZHWLS-VFVAKGGASA-N 364.301 4.978 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCCC2 222944053 GGOHMFYZSCPUBS-GOSISDBHSA-N 362.517 4.652 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(C(C)C)cc2)c1 224173036 UIMZVACCCXGPHH-MRXNPFEDSA-N 355.478 4.637 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3c(F)cccc3F)o2)cc1 224858298 FLOANESZXPHXMM-UHFFFAOYSA-N 372.371 4.590 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1Cl 225040060 KBWQBUOTWTTYRJ-OAHLLOKOSA-N 361.869 4.553 0 40 FJAB Cc1cccc([C@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)c1 225598781 VZCZYKMFNIJGKM-OAQYLSRUSA-N 369.461 4.510 0 40 FJAB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)c(C)c1 225878616 CINXTTXBFDMJRI-IBGZPJMESA-N 357.519 4.813 0 40 FJAB O=c1[nH]c2c(s1)[C@H](c1c[nH]c3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 238881475 AASRQRDVFMNPRX-DYNNCCMVSA-N 354.500 4.570 0 40 FJAB COc1ccc(C2=NN3[C@H](c4ccc(C)o4)Oc4ccccc4[C@H]3C2)cc1 247885873 DJSUNHFUAOJKMZ-KNQAVFIVSA-N 360.413 4.839 0 40 FJAB O=C(COC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 408620386 MEZROZIXFJHLFM-UHFFFAOYSA-N 358.752 4.779 0 40 FJAB COc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)c(C)c1 408819569 ZKDLSZBHMYRVKS-UHFFFAOYSA-N 373.885 4.728 0 40 FJAB Cc1ccc(C)c(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)c1 408896186 PZCGORAZXRMAIN-UHFFFAOYSA-N 356.422 4.937 0 40 FJAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OC(C)C 409098556 PFKVBZBLHCUILQ-UNOMPAQXSA-N 355.459 4.958 0 40 FJAB CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1O 409110874 ZGPUQVVPLPDAMH-UHFFFAOYSA-N 350.256 4.728 0 40 FJAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@@H](C)C2 837714 XBFVJXGHVAONDV-SNVBAGLBSA-N 362.882 4.737 0 40 FJAB COc1ccccc1Nc1nc(C)c(Cl)c(Nc2ccccc2OC)n1 844806 XUQIEIRBKDAJEJ-UHFFFAOYSA-N 370.840 4.943 0 40 FJAB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2Cl)c(OC)c1 936434 HTTNFSAIHREEMP-XBXARRHUSA-N 353.201 4.629 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1F 3404337 YWYSVZKIZOLDGV-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB COc1cccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)c1 3413573 YZYZCXTUFASOAT-QGZVFWFLSA-N 370.499 4.932 0 40 FJAB CC(C)[C@H](C(=O)OCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 4220831 YWABLLGNOOCGIV-SFHVURJKSA-N 370.836 4.873 0 40 FJAB COc1ccc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 4252222 MWQPYYQVSPJKDR-UHFFFAOYSA-N 372.837 4.567 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 4385367 YPCBKLUWKPSFEN-UHFFFAOYSA-N 373.865 4.941 0 40 FJAB Cc1ccccc1COC(=O)c1ccc(OCc2c(C)noc2C)cc1 4463859 HDZJNCCLZMKKGN-UHFFFAOYSA-N 351.402 4.536 0 40 FJAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NCc1cccs1 4849463 JRKCBLOYMLATTL-UHFFFAOYSA-N 370.543 4.884 0 40 FJAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3C)s2)cc1OC 7069970 AXRTZEXGYDQZSW-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(C(=O)CC)cc2)cc1 7134022 YPJODGOTXDYJJM-OAHLLOKOSA-N 367.445 4.668 0 40 FJAB CCCCNC(=S)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7662577 XIMUTEUFWXIETJ-MRXNPFEDSA-N 357.548 4.626 0 40 FJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCCCCC3)c2Cl)cc1 8129197 UDUNNZSQFGURMZ-VAWYXSNFSA-N 371.912 4.617 0 40 FJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccccc1 8381196 DCUYLMFXFFOJKG-OAQYLSRUSA-N 367.404 4.538 0 40 FJAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1 9233407 YDENSSLYUCVMIT-VGOFMYFVSA-N 351.786 4.617 0 40 FJAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1c(F)cccc1Cl 11070891 QIMQJDGRZYUPQD-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB FC(F)c1cc([C@@H]2CN(C[C@H]3CC=CCC3)C[C@H]2c2ccccc2)n[nH]1 12129272 XNKPWROMEGXRLI-RYQLBKOJSA-N 357.448 4.887 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12761451 VRQJKHANHAGXQG-ZDUSSCGKSA-N 352.384 4.826 0 40 FJAB Cc1cccc(C)c1OCC(=O)N[C@@H](c1ccccc1)c1cccs1 12981742 JCASMKOYDGYTGH-FQEVSTJZSA-N 351.471 4.650 0 40 FJAB Cc1nc(COc2cccc(C(=O)NCc3ccccc3Cl)c2)cs1 12995867 ZRORCCZTMXRLKK-UHFFFAOYSA-N 372.877 4.614 0 40 FJAB Cc1ccccc1-c1nnc2sc(-c3cccc(Br)c3)nn12 13692156 UQJPSMQHNFHDQS-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB CCCNc1nc(Nc2cc(C)cc(C)c2)c2cnn(-c3ccccc3)c2n1 17286256 FHPFFNBIEUIMEB-UHFFFAOYSA-N 372.476 4.998 0 40 FJAB Cc1cccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)n1 19236222 BSHKLQNUVVOLCE-CQSZACIVSA-N 372.419 4.552 0 40 FJAB CNC1CCC2(CC1)CN(Cc1cccc(Cl)c1)Cc1ccccc1O2 19591987 SHJBGOGYBQVYTL-UHFFFAOYSA-N 370.924 4.635 0 40 FJAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20140196 LNCJNKILHYDJSE-UHFFFAOYSA-N 371.776 4.559 0 40 FJAB Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cccc1C(=O)O 20140200 VSYJOKHDSOHISP-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 20900068 WRTWPWUOVSSEIK-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4ccccc43)c12 22239782 SOONDBBQTJOPMH-UHFFFAOYSA-N 369.424 4.791 0 40 FJAB Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1C(=O)c1cccs1 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4.728 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 44031420 RDLPPNRNLGVZEL-UHFFFAOYSA-N 365.477 4.525 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(C)cc1 44840855 LOBRZRAPVBMOCD-MAUKXSAKSA-N 373.518 4.760 0 40 FJAB CCN(CC)CCN(C(=O)c1cc(C)nc2ccccc12)c1ccccc1 46085542 GWMJYTPBKOTYBB-UHFFFAOYSA-N 361.489 4.532 0 40 FJAB CCN(CC)[C@@H](CNC(=O)Nc1cccc2ncccc12)c1ccsc1 58268977 LZQXAKDURHFEHZ-IBGZPJMESA-N 368.506 4.501 0 40 FJAB CCCn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2ccccc21 64963668 BUYSXVKPPPHQIF-UHFFFAOYSA-N 365.820 4.782 0 40 FJAB FC(F)c1nc(N(Cc2ccccc2)C[C@H]2CCCO2)c2ccccc2n1 84535669 AHGAOGLPLDRJMZ-MRXNPFEDSA-N 369.415 4.753 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 85384459 BOGBCVCAWBMWAS-UHFFFAOYSA-N 351.450 4.844 0 40 FJAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCSc4c(F)cccc43)on2)cc1 89641010 VFMXJTLWVQBUCM-INIZCTEOSA-N 368.433 4.756 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1C[C@H]1c1c(F)cccc1F 89768111 HMQGYXWNCIAILB-RNCFNFMXSA-N 357.187 4.949 0 40 FJAB CC(C)N(CC(F)F)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 95971304 NWVZGOOYWKKRKY-UHFFFAOYSA-N 352.812 4.881 0 40 FJAB O=C(c1cc2ccccc2[nH]1)N(CCc1cccs1)Cc1ccco1 96120270 ACUKYRLCBMUVDC-UHFFFAOYSA-N 350.443 4.708 0 40 FJAB Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2nc(C3CC3)cs2)o1 123437162 GHTYZHCLSJEIIH-INIZCTEOSA-N 359.495 4.749 0 40 FJAB O=C(CCSCc1c[nH]c2ccccc12)NC12CC3CC(CC(C3)C1)C2 199412122 XRGWFTXULQFSST-UHFFFAOYSA-N 368.546 4.876 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(Cl)cc1 219053594 KIWSWVVINCUPQK-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1 222930766 CLEIBUSVOAOTSL-OAQYLSRUSA-N 353.506 4.891 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222977790 FVMKIUWCEPCPIW-MGPUTAFESA-N 355.453 4.739 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 223551457 OPBAWLUBVRMUPM-OAHLLOKOSA-N 357.450 4.542 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 224472645 BVVRJMBUXIRFAI-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(Cl)cc1 224496231 IOLGPVRYZJWZIB-UHFFFAOYSA-N 361.869 4.846 0 40 FJAB CCOC(=O)c1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1Cl 225307419 ZBTJLDXRDJIWNU-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(OC)cc1 225490081 KLLWNAWRJIRDAB-IBGZPJMESA-N 358.507 4.920 0 40 FJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)NC1CCCCC1 225758676 KNYQLJGVQACHQF-UHFFFAOYSA-N 370.497 4.508 0 40 FJAB COc1ccccc1C1(C(=O)N[C@H](c2ccsc2)c2cccs2)CC1 390826797 PRFCEBDXBGBGAH-GOSISDBHSA-N 369.511 4.756 0 40 FJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1 408530647 QFJQQTOVMNXHFA-UHFFFAOYSA-N 366.392 4.681 0 40 FJAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NCc2ccccc2)c1Cl 408619410 BWYGDSUUZJOMJA-UHFFFAOYSA-N 372.679 4.959 0 40 FJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)cc1 408994983 KDTVVQWASUHFLV-FSSWDIPSSA-N 371.436 4.864 0 40 FJAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(Cl)c1Cl 409180286 VZKMVEZZFIIZKE-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB COc1c(C(=O)N(C(C)C)[C@@H]2CCCc3cccnc32)oc2ccccc12 585080010 RDHATWNNHWGMRV-QGZVFWFLSA-N 364.445 4.765 0 40 FJAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cccc2ccccc12 618256657 VKJCDFXHHXJOFF-HXUWFJFHSA-N 351.471 4.799 0 40 FJAB Fc1ncnc(NCC(c2ccccc2)c2ccccc2)c1Br 1639166932 BSEGLSSANYMKGR-UHFFFAOYSA-N 372.241 4.622 0 40 FJAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Nc2ccccc2F)C1 1889273383 JXSLGBORCKCWPG-UHFFFAOYSA-N 366.440 4.562 0 40 FJAB COC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C(C)(C)C)C2 1945672 GJXHUZATJMYZRJ-LLVKDONJSA-N 361.463 4.531 0 40 FJAB CCCn1c(SCCOc2ccccc2Cl)nnc1-c1ccncc1 2128466 RBIWJHBNAYFJPN-UHFFFAOYSA-N 374.897 4.575 0 40 FJAB O=C(CSc1cccc2cccnc12)c1ccc(Br)cc1 3059021 NOMCMWHSZQRQIR-UHFFFAOYSA-N 358.260 4.972 0 40 FJAB CCN(CC)CC[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F 3118968 HVIWOGSUJDRVOR-CYBMUJFWSA-N 371.321 4.525 0 40 FJAB Cc1cc(O[C@H]2OCCO[C@@H]2Oc2ccc(Cl)cc2C)ccc1Cl 3187402 AZPWQBPPTIVSPI-QZTJIDSGSA-N 369.244 4.767 0 40 FJAB CCOCc1c(C(=O)OCC(=O)c2ccc(Cl)cc2)oc2ccccc12 3543468 OVQVDIXVVIXDIT-UHFFFAOYSA-N 372.804 4.662 0 40 FJAB Cc1cccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1 3648657 DBLXKRRPYVMGCK-UHFFFAOYSA-N 374.465 4.881 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 4167327 FMNNCORKMURWPO-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1 4195745 KDVFUWHDGQBCNV-XNTDXEJSSA-N 356.425 4.899 0 40 FJAB CCC(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12 4342010 VOPCXUJLGUIICR-UHFFFAOYSA-N 360.772 4.826 0 40 FJAB COc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccc(C)cc3C)c2c1 4905483 YZLAZERLUBUUSM-UHFFFAOYSA-N 367.518 4.631 0 40 FJAB COc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)cc1 5090252 HZQIMLNGFRAAQR-HNNXBMFYSA-N 358.507 4.987 0 40 FJAB Clc1ccc(-n2ncc3c(SCc4ccccc4)ncnc32)cc1 5573403 PHFWWZCITQKWPX-UHFFFAOYSA-N 352.850 4.761 0 40 FJAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OC 6439544 GBKCHIBKCQXLDE-ADLMAVQZSA-N 372.490 4.709 0 40 FJAB COc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)cc(OC)c1 6557880 RSPWPGYAZIMTBF-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)Oc2ccc(C(=O)CC)cc2)cc1 7134032 YPJODGOTXDYJJM-HNNXBMFYSA-N 367.445 4.668 0 40 FJAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(Cl)c2c(c1)OCO2 8546771 DGAOWGFRDICFFO-UHFFFAOYSA-N 373.817 4.549 0 40 FJAB CSc1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 9184024 GUIKKRLRMBMRIE-UHFFFAOYSA-N 371.849 4.897 0 40 FJAB Cc1ccc(C2=CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 9479044 USTTWKWLFHGBRU-OAHLLOKOSA-N 351.475 4.957 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Cc1ccccc1 11399228 DWOPHQHNIOJUSL-GOSISDBHSA-N 373.452 4.770 0 40 FJAB Cc1[nH]c2c(C(=O)N[C@H](c3ccccc3)c3cccnc3)cccc2c1C 12148300 BGAKFMBFMPYQSP-OAQYLSRUSA-N 355.441 4.699 0 40 FJAB CCn1/c(=N\C(=O)c2nc3ccccc3s2)sc2cccc(Cl)c21 12180922 VTWSOUYLZAQLJV-LVZFUZTISA-N 373.890 4.727 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ncccc3C)cc2)o1 12516980 HPNKNQSRGPYUQD-UHFFFAOYSA-N 370.412 4.668 0 40 FJAB Clc1ccc(Cl)c(-c2nn3c(-c4cccs4)nnc3s2)c1 12653726 DFCJGKFWCNGATP-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB Cc1ccc(-c2cc(COC(=O)c3ccc(Br)cc3)no2)cc1 12725498 HQVKZLWPVRLTRX-UHFFFAOYSA-N 372.218 4.770 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 14108486 SETYRLKUPVPDKW-UHFFFAOYSA-N 362.429 4.611 0 40 FJAB Cc1ccc2nc(NC(=O)c3cccnc3SC(F)F)sc2c1 14115232 IKWJCOOHLMXFIZ-UHFFFAOYSA-N 351.403 4.567 0 40 FJAB Cc1sc2nc([C@@H](C)N[C@@H](C)c3ccc(Cl)cc3)[nH]c(=O)c2c1C 14137089 BQKLUWSPPHHPNO-WDEREUQCSA-N 361.898 4.667 0 40 FJAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c(C)c1 14206535 GDERWLWECRMZRZ-UHFFFAOYSA-N 363.436 4.759 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)o1 14231955 XLXZDDLQXUSSGV-HNNXBMFYSA-N 361.445 4.584 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCCC2)cc1 14398798 CBBKUANXPIPCMG-UHFFFAOYSA-N 359.267 4.692 0 40 FJAB CCCCc1ccc(N2C(=O)CS[C@@H]2c2cccc(OC)c2OC)cc1 19927380 TVPIUMMJORHHOT-OAQYLSRUSA-N 371.502 4.825 0 40 FJAB CCOc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20267259 AQVSZRHQHKRYRA-UHFFFAOYSA-N 368.506 4.507 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccccc1 20494333 MSFFSOIKFLGELJ-IBGZPJMESA-N 357.519 4.510 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 20495641 LRFWFIIXRBSFSU-NSHDSACASA-N 370.301 4.799 0 40 FJAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccccc1Br 24764104 JQSKBSCUEMSNCN-UHFFFAOYSA-N 361.626 4.903 0 40 FJAB CCN(C(=O)c1cccc(OCc2csc(C)n2)c1)c1ccccc1 32836441 RGATUSGZNUGUCR-UHFFFAOYSA-N 352.459 4.697 0 40 FJAB CC(C)C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 44936970 ZPLWICLHJSCDBJ-QFIPXVFZSA-N 350.506 4.800 0 40 FJAB O=C(Nc1ccccn1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 48350221 NVQPIDGYLBSXAZ-UHFFFAOYSA-N 372.881 4.756 0 40 FJAB COc1cccc2cc(-c3csc(COc4ccccc4)n3)c(=O)oc12 58158462 KZWINZMGOQPPBW-UHFFFAOYSA-N 365.410 4.504 0 40 FJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@@H]3C(C)C)c12 63814613 RPKDXZRGUVGFTG-GOSISDBHSA-N 367.424 4.598 0 40 FJAB CCc1cccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c1 64471804 XDFJDKHARWMGIK-UHFFFAOYSA-N 363.436 4.916 0 40 FJAB C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)c2ccccc2N(C(=O)OC(C)(C)C)C1 75091907 SVKVKDBFPTWAEK-IAGOWNOFSA-N 370.493 4.767 0 40 FJAB O=C(c1ccc2ncsc2c1)N(CCc1cccs1)Cc1ccco1 96120271 VPHLDNQUFAICDI-UHFFFAOYSA-N 368.483 4.836 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1ccc2ccc(N(C)Cc3ccccc3)n2c1 96146143 DUJFVXGIEXBVAP-GOSISDBHSA-N 361.489 4.590 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C3CCCC3)N21 222686783 ZZKFFDLDWJJNJZ-RYGJVYDSSA-N 366.534 4.978 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 223006613 CUMUELIOVZEDIW-QGZVFWFLSA-N 373.500 4.610 0 40 FJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224419878 TVMICRDFVJONST-IRXDYDNUSA-N 369.490 4.768 0 40 FJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C 224796306 ULUWUGDWVVOQDG-XMMPIXPASA-N 359.469 4.760 0 40 FJAB CCCCNC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224897044 CZLXRMDMLJYLMK-UHFFFAOYSA-N 350.418 4.547 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224903841 LVWUVOMIOISPQW-OAHLLOKOSA-N 364.445 4.936 0 40 FJAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)c2cccnc12 225898834 AJENHDLSVLLFBH-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 408680641 ORRYMAABGJKELJ-UHFFFAOYSA-N 361.507 4.744 0 40 FJAB COc1cc2c3c(c1)[C@H](CC(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1740816400 DFFYCOUTFMELDN-IBGZPJMESA-N 361.441 4.594 0 40 FJAB CSc1ccc(CN2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1888857261 XMPJFXXNQQDIHJ-IRXDYDNUSA-N 370.566 4.666 0 40 FJAB COc1cc(Cl)nc(Oc2ccccc2CNc2ccc(C)cc2)n1 632530 DJGUTDOJXNIKSN-UHFFFAOYSA-N 355.825 4.851 0 40 FJAB O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccc(Cl)cc3)c12 634212 XVJLKQIUECGHHM-UHFFFAOYSA-N 352.846 4.896 0 40 FJAB Cc1ccc(NC(=O)CN(C(=O)c2ccc(C)cc2)c2ccccc2)cc1 976592 BMAWYURUTNHHHJ-UHFFFAOYSA-N 358.441 4.589 0 40 FJAB O=S(=O)(Nc1ccc(F)cc1)c1cc(Cl)c(Cl)cc1Cl 1025142 MUQSIRWRHGVDBP-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB CCN(CC)C(=S)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1 1435577 DLHVOQTYKWVIQD-UHFFFAOYSA-N 356.491 4.561 0 40 FJAB CCN(CC)CCCCNc1ccnc2cc(Br)ccc12 1700321 WVSODMCSGBAHRK-UHFFFAOYSA-N 350.304 4.531 0 40 FJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(F)c(F)c(F)c(F)c1F 2115685 ADQMFMAXISAFME-UHFFFAOYSA-N 359.338 4.927 0 40 FJAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc(Cl)cc5)nc4c23)CO1 2216095 WNDWPDQVCSFADC-UHFFFAOYSA-N 370.865 4.511 0 40 FJAB Cc1ccccc1COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2738558 PZISUFZAQFSTMP-PXLXIMEGSA-N 369.420 4.919 0 40 FJAB O=C1O[C@@H](c2cccs2)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 2741714 KTJBZFWHULDKSY-SFHVURJKSA-N 369.829 4.918 0 40 FJAB CCOc1ccc(NC(=O)CNc2cccc3ccccc23)cc1OCC 3432568 BNDOOVSTIWWQQN-UHFFFAOYSA-N 364.445 4.688 0 40 FJAB Cc1ccc(Nc2nc(C(=O)N[C@H](C)CCc3ccccc3)cs2)cc1 4675452 WWKWFZFIHBNPPU-MRXNPFEDSA-N 365.502 4.946 0 40 FJAB CCC[C@H]1C[C@@](C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O 4791452 SOCOMGZVYZHSDB-DJJJIMSYSA-N 360.479 4.864 0 40 FJAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 4910207 MFLKDGRAAGXPFF-CQSZACIVSA-N 359.853 4.846 0 40 FJAB Cc1c(C(=O)N(C)C2CCCCC2)sc2nc(-c3ccccc3)cn12 4930740 NXSZWPPADVEBSB-UHFFFAOYSA-N 353.491 4.776 0 40 FJAB Cc1cccc(C)c1-n1c(C)nc2c(c(C)c(C)n2-c2ccccc2)c1=N 5486455 GSJLCUJPNFZLJU-UHFFFAOYSA-N 356.473 4.838 0 40 FJAB C[C@H](NC(=O)COc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2 6053004 JIZXOVBGBQXKPH-RNXZQOMOSA-N 363.501 4.940 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)NCC12CC3CC(CC(C3)C1)C2 6220109 XVPONVRQCFREIK-UHFFFAOYSA-N 368.304 4.705 0 40 FJAB COc1cc2sc(NC(=O)Cc3ccc(Cl)cc3)nc2cc1Cl 6441329 YRUVMLCLKJAEEI-UHFFFAOYSA-N 367.257 4.793 0 40 FJAB Cc1cccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5s4)c3C2)c1 6719910 GNEJNLQPFRJYHP-HNNXBMFYSA-N 359.454 4.703 0 40 FJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 7596914 ANPSQFMUUBULGJ-TZIWHRDSSA-N 362.454 4.999 0 40 FJAB Cc1nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1 7976979 YXEBOCMDDBRVQW-UHFFFAOYSA-N 373.286 4.712 0 40 FJAB CCOc1cc2c(cc1NC(=O)/C=C/c1cc3ccccc3o1)O[C@H](C)C2 9112328 FWXJPDIKMLMJLA-MYSGNRETSA-N 363.413 4.807 0 40 FJAB CCCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622752 RXXFGAKUIRRHBR-UHFFFAOYSA-N 362.412 4.520 0 40 FJAB COc1ccc2ccccc2c1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1 12366534 PDDDPJZGBHNZMZ-LAUBAEHRSA-N 350.462 4.646 0 40 FJAB Cc1cc(C(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)on1 12422297 SKRGKOULVVZWLO-UHFFFAOYSA-N 367.405 4.579 0 40 FJAB O=C(CSc1c(Cl)cccc1Cl)Nc1nc2ccccc2[nH]1 12550549 QDARAZVBWZGNDF-UHFFFAOYSA-N 352.246 4.601 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)NC23CC4CC(CC(C4)C2)C3)s1 13005614 HKLWQOFCODHBIJ-UHFFFAOYSA-N 372.559 4.808 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)Cc2cc3c(cc2C)OCO3)cc1 13569135 PRWASOHLTPOSAS-UHFFFAOYSA-N 374.484 4.884 0 40 FJAB CC(C)c1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 14198905 LSTMUFPSXROUCZ-QMMMGPOBSA-N 360.266 4.619 0 40 FJAB Cc1cc(NC(=O)CSCc2ccc(F)cc2)ccc1Br 20043498 NCTLMFFIWSPRIG-UHFFFAOYSA-N 368.271 4.769 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccccc1 20238530 GDXNWQQPXRHTEU-CYBMUJFWSA-N 351.924 4.729 0 40 FJAB COc1ccc(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC 20459314 GSEBQMVBKNXYHR-SFHVURJKSA-N 373.518 4.700 0 40 FJAB Cc1ccc(-n2nc(C)c(NC(=O)Cc3c(F)cccc3Cl)c2C)cc1 22890211 WHDRDWBRYAWIGQ-UHFFFAOYSA-N 371.843 4.771 0 40 FJAB CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1nc2ccccc2s1 23042179 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CCCOC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 85398397 MOJHYBCKRMJNGM-UHFFFAOYSA-N 359.223 4.559 0 40 FJAB Cc1ccc(CN2CCC3(CCN(Cc4cccc(F)c4)CC3)CC2)o1 96047232 HPAKXOJMMVYEQK-UHFFFAOYSA-N 356.485 4.605 0 40 FJAB Cc1cc(NC(=O)Nc2ccccc2Cl)cc2c1N(C)C(=O)C2(C)C 96182156 UDPOZBVNAFXZOS-UHFFFAOYSA-N 357.841 4.546 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C(C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 104068700 OBZYXEMSAJPCRP-YJNANRBVSA-N 374.521 4.813 0 40 FJAB O=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2 109770382 JCTJVPVCMMENRV-UHFFFAOYSA-N 374.509 4.960 0 40 FJAB O=Cc1cn(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc12 216942255 LYLYTOAOHYJERB-UHFFFAOYSA-N 355.393 4.721 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219595953 WXNBFPZQYGLIKP-VQTJNVASSA-N 367.489 4.879 0 40 FJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCC3)o2)cc1 224906358 PWUTXLOFERMMFL-UHFFFAOYSA-N 362.429 4.690 0 40 FJAB C[C@H](Cc1cncc2ccccc12)C(=O)NCC1CC(c2ccccc2)C1 561637382 XKIOICAEEVFQJV-MPQSDHOMSA-N 358.485 4.723 0 40 FJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)cc1 1772491276 NBEAIDQVVDHRNO-IBGZPJMESA-N 369.461 4.703 0 40 FJAB Cc1ccc(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn23)cc1 632618 CPVOPJMTGIAGJE-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB CCc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1 2407542 QFTKGJPMPZIKNM-UHFFFAOYSA-N 363.442 4.669 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2OC)c2cc3cccc(C)c3nc21 2408008 FSKBTDHZRIQPML-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB CCCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C1CC1 2764286 XXRIBNLEMCXLKN-UHFFFAOYSA-N 373.474 4.729 0 40 FJAB Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 3911627 DXLWPYSNNQWSNI-UHFFFAOYSA-N 357.413 4.825 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)Nc1ccc(Cl)cc1)CSC2 4077362 UQJJJAQIRLRCIC-UHFFFAOYSA-N 350.875 4.682 0 40 FJAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 4886719 KIDOFKNTYRTJQS-GOOCMWNKSA-N 369.431 4.622 0 40 FJAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1ccco1 5345560 PPWCWLXVIZTZOS-UHFFFAOYSA-N 353.424 4.835 0 40 FJAB O=C1c2cccnc2Oc2ccc(Cl)cc2N1CCOc1ccccc1 5947466 APBVKMOBSBTSLK-UHFFFAOYSA-N 366.804 4.567 0 40 FJAB CC(=O)c1ccc(OCC(=O)N(c2ccccc2)C2CCCCC2)cc1 6552845 SHEGCTKBKUMDBY-UHFFFAOYSA-N 351.446 4.634 0 40 FJAB Cc1ccc(-n2c(C)nnc2SCc2ccc(Br)cc2)cc1 6912534 FFPNUHGPFQZCHA-UHFFFAOYSA-N 374.307 4.939 0 40 FJAB COc1ccc2cc(CN(C)C(=O)Cc3ccc(Cl)cc3)ccc2c1 7742364 MWOWUASFUVTDCH-UHFFFAOYSA-N 353.849 4.703 0 40 FJAB O=C1CCCC[C@H]1Sc1nc2ccccc2n1CCc1ccccc1 8134384 FMVKNQLRGSDOOI-HXUWFJFHSA-N 350.487 4.883 0 40 FJAB C[C@H](NC(=O)CN1CCC[C@@H]1c1cccs1)c1cc2ccccc2o1 8311966 ONSORQBBMPGHMI-GOEBONIOSA-N 354.475 4.509 0 40 FJAB C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1cc(F)c(Cl)cc1Cl 8750776 KJLIVOSWKLVADN-NSHDSACASA-N 369.267 4.685 0 40 FJAB CC[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1 9479316 GBKRIDBLVVXRPZ-OAHLLOKOSA-N 373.865 4.899 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 11636855 XHLUMMHGPUOTNH-INIZCTEOSA-N 354.233 4.798 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccccc3)cc(-c3cccs3)nc21 12767250 DKBYVRCFTZQLTN-UHFFFAOYSA-N 362.458 4.993 0 40 FJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(C)c4ncccc34)c2C)c1 12916538 OZRDXQNIINBOMO-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCC1=CCCCC1 12972414 SOYJHKNKUXDDSM-UHFFFAOYSA-N 374.481 4.790 0 40 FJAB C[C@@H]1CCCCN1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13038817 HADOUBDXBWJAHO-SNVBAGLBSA-N 368.321 4.537 0 40 FJAB O=S(=O)(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1Cl 15516976 QTUJEKZTECOHJG-ZDUSSCGKSA-N 374.314 4.509 0 40 FJAB CC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 15867417 SFTJMUALXZYFNA-UHFFFAOYSA-N 351.377 4.860 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(C)c(C)c3)ccc21 16811747 UEGWWPRZDTVVQA-OAHLLOKOSA-N 353.487 4.576 0 40 FJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)c1 17073137 BCMCMWBXELASHF-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NCCSc2ccccc2)c1 18165619 RFWDWLNLYLWMFV-UHFFFAOYSA-N 356.438 4.784 0 40 FJAB O=C(CSCc1ccc(F)cc1)NCc1ccc(Cl)cc1Cl 21273107 ZGZPMJBEBVHDSY-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1C(=O)c1ccccc1 21635744 LIRJLPZSXJYBRS-UHFFFAOYSA-N 363.844 4.843 0 40 FJAB O=C(C1CCCC1)N(C[C@@H]1CCCO1)c1nc2ccc(Cl)cc2s1 22890458 UBFFPEAZLSQTNE-AWEZNQCLSA-N 364.898 4.652 0 40 FJAB COc1cccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 23909353 DFHPUTKVOOFOGF-HSZRJFAPSA-N 370.452 4.890 0 40 FJAB COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 24715984 ZANBINYQLPJHJL-LIRRHRJNSA-N 358.869 4.513 0 40 FJAB C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1cccc(Cl)c1 27578920 YFZMGQTWTXSOPH-OAHLLOKOSA-N 366.848 4.805 0 40 FJAB Cn1cc(Cl)cc1C(=O)Nc1ccc(SCc2cccnc2)cc1 29357956 ZCUVFVYFYCKONW-UHFFFAOYSA-N 357.866 4.618 0 40 FJAB COc1cccc(/C=C(/C(=O)N(C)Cc2cccs2)c2ccccc2)c1 31528641 JSKVZLQDKOWXHV-RCCKNPSSSA-N 363.482 4.956 0 40 FJAB CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(Br)c1 32803381 VTWWULQLVOTULZ-LBPRGKRZSA-N 367.312 4.803 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c1 32876719 OUHYLDZPZMPKPN-MRXNPFEDSA-N 369.436 4.516 0 40 FJAB CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H](C)c1cccc(OC)c1 32937634 OGBWBEWJHMOBKX-MRXNPFEDSA-N 374.912 4.987 0 40 FJAB CCOc1cc(C(=O)N2CCCC2)cc(Cl)c1OCc1ccccc1 33642992 PTTIBGBHCUJDCT-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB O=C(CCc1ccsc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 48356656 LQZVGMBPNSAWPT-UHFFFAOYSA-N 374.893 4.882 0 40 FJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)cc1Cl 72329336 PMSPSFXEHXCKJU-ZDUSSCGKSA-N 369.852 4.620 0 40 FJAB CC1(NC(=O)Nc2ccccc2Oc2ccccc2Cl)CCOCC1 95446477 QYPIELMZHFCJRY-UHFFFAOYSA-N 360.841 4.823 0 40 FJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102262578 ZPUGVDDWHALMBB-AVGNSLFASA-N 373.499 4.804 0 40 FJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCc1cccs1 102730788 VNQGTXSFZLBQEU-UHFFFAOYSA-N 367.499 4.676 0 40 FJAB CSc1ncnc2c1C[P@](Cc1ccccc1)(c1ccccc1)CC2 150385458 OOWKRJCIHGXPCH-UHFFFAOYSA-N 365.462 4.798 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2cccc(F)c2)nc1 222623179 IDVWGLJCFYNMJL-UHFFFAOYSA-N 361.298 4.554 0 40 FJAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224903882 LVWUVOMIOISPQW-HNNXBMFYSA-N 364.445 4.936 0 40 FJAB Cc1ccc(N(C)CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224982153 ZRQUNMJCEXVSRA-UHFFFAOYSA-N 372.512 4.847 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 225257796 GUKPQGDWBNRGLF-UHFFFAOYSA-N 355.397 4.685 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225661131 FFEDHKUDSOHSSG-UHFFFAOYSA-N 368.477 4.519 0 40 FJAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(Cc2ccccc2)CC1 225792301 KORVPNHPGHJIJY-UHFFFAOYSA-N 371.484 4.547 0 40 FJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c2ncccc12 225898091 QAGXDTQGQMDAJC-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N 226267080 MITDAMJOBLYQFZ-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(C)cc3Br)oc12 408566772 BDYVMFGAPZJUFL-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB Cc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)c1 408612288 VGJAGPNAIGHSGH-UHFFFAOYSA-N 362.517 4.513 0 40 FJAB N=C1NC(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)S1 408925855 UISYIAMLCKIORN-UNOMPAQXSA-N 360.438 4.557 0 40 FJAB O=C(CSc1ccccc1)NCCSCc1c(F)cccc1Cl 409025465 RORJGSIOPCTOEO-UHFFFAOYSA-N 369.914 4.621 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)c1c(C)noc1C 585146037 ABLKVJRXMQJISU-SNVBAGLBSA-N 370.371 4.841 0 40 FJAB Cc1cccc(C(C)(C)NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 680520117 PWENACOTHDMCNC-VQTJNVASSA-N 370.468 4.589 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)c4ccc(C)cc4)c(N)c3cc2C1 661990 DTAMJEOGNBWDMS-ZDUSSCGKSA-N 350.487 4.933 0 40 FJAB COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 851741 KHPWBLIAAWMYJA-UHFFFAOYSA-N 368.436 4.840 0 40 FJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)OC1CCCCC1 888499 SQBRQNRHDIOPQU-UHFFFAOYSA-N 362.520 4.538 0 40 FJAB FC(F)(F)Oc1ccc(-c2nnc(S)n2-c2ccccc2Cl)cc1 1047841 ISJANQITMZGDEJ-UHFFFAOYSA-N 371.771 4.775 0 40 FJAB Cc1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)c1C 1065766 XAEHPBMSHKTBNM-UHFFFAOYSA-N 366.812 4.770 0 40 FJAB COc1ccc(-c2nc3cnccn3c2NC(C)(C)CC(C)(C)C)cc1O 1347546 YOYORCHOGPMTKV-UHFFFAOYSA-N 368.481 4.737 0 40 FJAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2OCC)cc1OCC 1780495 KOJZDHZHHHWGQY-WYMLVPIESA-N 356.418 4.502 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N(C)C1CCCCC1 2384101 SDIBACPBJGDOIR-UHFFFAOYSA-N 360.548 4.942 0 40 FJAB aggregator Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)n1 2618102 JFWMWDBDRZPAJT-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB CC(C)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2760847 ISTGQJFXGBPPSR-UHFFFAOYSA-N 369.262 4.803 0 40 FJAB O=C(CNCc1ccccc1Cl)N(C1CCCCC1)C1CCCCC1 3310800 ZYFXCTHJJQDFAA-UHFFFAOYSA-N 362.945 4.924 0 40 FJAB Cn1c(-c2ccccc2)cn2cc(-c3cccc(Br)c3)nc12 4678217 NOKUFFJVPNORKK-UHFFFAOYSA-N 352.235 4.769 0 40 FJAB COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@@H]1CCCN(CC2)[C@@H]31 5554556 JSWHPWDJHXROFD-OYHNWAKOSA-N 360.457 4.642 0 40 FJAB CCOc1cc(C(=S)N2CCCC2)ccc1OCc1cccc(F)c1 6207403 ZTTDLMLWZFAHDZ-UHFFFAOYSA-N 359.466 4.575 0 40 FJAB CCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752572 CPAIMGBADBGKHX-UHFFFAOYSA-N 355.526 4.856 0 40 FJAB CC(C)CCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 6752593 QKUFFYRVNQSXHN-UHFFFAOYSA-N 355.526 4.712 0 40 FJAB COc1cc(CNCC(C)C)cc(Cl)c1OCc1ccc(F)cc1 6883540 LWKOZRHEUDYGPR-UHFFFAOYSA-N 351.849 4.812 0 40 FJAB C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccco1 7291073 ODYFLWVZSFFEOF-AWEZNQCLSA-N 355.821 4.856 0 40 FJAB Cc1cc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)no1 8208173 BNPOUPKHKRKVKQ-UHFFFAOYSA-N 373.206 4.790 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCc2ccccc21 8747972 ZQRIBYWRUWNVSA-UHFFFAOYSA-N 352.821 4.517 0 40 FJAB O=C([C@H]1Cc2ccccc2S1)N1CC=C(c2c[nH]c3ccccc23)CC1 11076137 IPLKAYZJLKPFGL-OAQYLSRUSA-N 360.482 4.501 0 40 FJAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 11513627 IUEVQQNMZPARHK-UHFFFAOYSA-N 354.793 4.915 0 40 FJAB CCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)o1 12118184 GHULBWWKBUQCAT-UHFFFAOYSA-N 355.526 4.548 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)cc12 12758945 AXKZCKAWEGGPAK-CVEARBPZSA-N 359.539 4.715 0 40 FJAB O=C(Nc1cc(Cl)ccc1F)c1ccc(Cl)c(N2CCCC2=O)c1 12927502 XIGYITJZVIGYAG-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)cc1 12994465 YIGFLEOJYPUPES-LLVKDONJSA-N 374.412 4.588 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 13007012 IVKXXTFOXOUVOE-UHFFFAOYSA-N 353.397 4.544 0 40 FJAB CCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c2cccnc12 15840957 AIMIUDDDSJUCBY-AWEZNQCLSA-N 368.408 4.569 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)c1occc1-c1ccccc1 16537507 YYJSXPMIOGOAFR-UHFFFAOYSA-N 350.370 4.515 0 40 FJAB CC(=O)c1ccc(NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 17073418 OJRBZXKDOAMLGT-UHFFFAOYSA-N 355.246 4.711 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 20043382 OZKOXVSWWUPPOK-CVDCTZTESA-N 359.469 4.977 0 40 FJAB O=C(COc1ccccc1F)N(Cc1ccco1)c1ccc(Cl)cc1 27795320 SBWOYSYRXPPCEA-UHFFFAOYSA-N 359.784 4.684 0 40 FJAB CC[C@@H](C)C(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C 28305395 WIYMNOKMELEWMY-LLVKDONJSA-N 369.387 4.540 0 40 FJAB COc1ccccc1-c1cc(C(=O)Nc2nc3c(C)cccc3s2)no1 30035188 URDMWKMIRWWHMI-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc3ccccc23)n1 33632602 CVOUQZALFRRBKM-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 36614188 AGDNSGACIKIZMG-UHFFFAOYSA-N 361.376 4.898 0 40 FJAB O=C(C1CCC1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 36676317 GOQMBKIGZZILHG-UHFFFAOYSA-N 357.866 4.678 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(OC(C)C)cc1 38753072 LMCDVHOFFHLHGE-GOSISDBHSA-N 369.505 4.553 0 40 FJAB CC(C)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478406 MWRVJBFAXTUGIG-UHFFFAOYSA-N 353.853 4.784 0 40 FJAB Cc1cc([C@H](C)NC(=O)Cc2csc(-c3cccs3)n2)c(C)s1 46240370 MYZCRGOGLFUAOG-NSHDSACASA-N 362.545 4.970 0 40 FJAB CC(C)C(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)cc1 58474343 ATMLFNQAEOEUDD-UHFFFAOYSA-N 366.442 4.770 0 40 FJAB Cc1cc(C(=O)COC(=O)c2c(C)nn(C(C)(C)C)c2C)c(C)c(C)c1C 61574515 ZXYAFAOUESJQCJ-UHFFFAOYSA-N 370.493 4.528 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3C)o2)cc1 63888117 JSPNYEBFHGQVBK-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 72348856 RAOADBSCKCUAAH-HXUWFJFHSA-N 361.464 4.586 0 40 FJAB Cc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346397 SUXYFVDPTWCTQD-UHFFFAOYSA-N 350.491 4.629 0 40 FJAB CCOc1ccc(CC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc1 89991111 NQRQPTUQJBYKTE-UHFFFAOYSA-N 374.651 4.932 0 40 FJAB COc1ccc2nc(NC(=O)C34CC5C[C@H](CC[C@@H](C5)C3)C4)sc2c1 101024416 XZVJDXOYSNRSQB-PVXVLGKLSA-N 356.491 4.850 0 40 FJAB S=C(NNc1c(Cl)cc(Cl)cc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 102194745 KIBKVQNSQGHGMX-UBJUHAIHSA-N 364.729 4.626 0 40 FJAB Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(F)cc4)CC3=Nc3ncnn32)cc1 102680213 JELPGDQREQPULZ-IERDGZPVSA-N 374.419 4.791 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)cc1 113969102 ZYOIPRHBQPRQOB-IFXJQAMLSA-N 361.869 4.692 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Br)cc1 222944863 OUJIPLAPQYTFGG-INIZCTEOSA-N 362.267 4.862 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccccc1 222978482 WHJKPQZOAQPXGD-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223248751 NLAKUGPJGFRHMN-KRWDZBQOSA-N 351.490 4.863 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223706692 FPMHNTWLBNBDMX-GOSISDBHSA-N 369.505 4.563 0 40 FJAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225574626 IQDXSYSLKICGIO-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1c(F)cccc1F 225678750 HQGKLFXXYBPZOR-OAHLLOKOSA-N 362.445 4.862 0 40 FJAB COc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c(OC)c1 225806354 JYKKAZLUIWNMCL-UHFFFAOYSA-N 372.534 4.746 0 40 FJAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2cccnc12 225890415 JUSRLBXHTZNGKL-YCRPNKLZSA-N 356.466 4.557 0 40 FJAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c1 408649921 AOIFVRLZGVKCHF-HXUWFJFHSA-N 371.436 4.621 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 408867931 MNWWMJDXYFLPQG-CYBMUJFWSA-N 351.924 4.729 0 40 FJAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1csc(-c2ccc(Cl)cc2)n1 515312155 GGYMBFMHJNQXQN-WQGACYEGSA-N 364.898 4.537 0 40 FJAB O=C(NCCCc1ccc(O)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 605348037 MVWIJPNRMVTOFJ-QHCPKHFHSA-N 374.484 4.608 0 40 FJAB O=C(CSc1ccc(F)cc1)NC[C@@H](c1ccsc1)c1ccco1 675007807 RZMPCRLJLGEEHE-INIZCTEOSA-N 361.463 4.521 0 40 FJAB O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccccc1 682221 AODCAGLGEDFIKK-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB O=C(NCc1cccs1)c1cc(-c2ccc(Cl)cc2Cl)on1 815130 KAMQGFKONYUZEX-UHFFFAOYSA-N 353.230 4.640 0 40 FJAB CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccco3)cc12 1251940 XWNAJKFODLOFFM-UHFFFAOYSA-N 355.390 4.520 0 40 FJAB CCC(=O)N(c1ccccc1)C1CCN([C@H](C)Cc2ccccc2)CC1 1664587 NGTVDHYUFBKWID-LJQANCHMSA-N 350.506 4.525 0 40 FJAB in-man Cc1ccc2oc(=O)c(-c3ccc(O)cc3)c(-c3cc(O)cc(O)c3)c2c1 2573903 BRGYJCAJPZGTFS-UHFFFAOYSA-N 360.365 4.552 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc(C)c1C 2658053 BGUQEDRJAIHJHG-NSHDSACASA-N 370.305 4.828 0 40 FJAB CC(C)(C)C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 4167072 JPKWHNXIMZUUSA-UHFFFAOYSA-N 356.413 4.534 0 40 FJAB Cc1cccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)c1 4359513 CIXDBYKQWCKOHK-UHFFFAOYSA-N 367.518 4.512 0 40 FJAB CCSc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 4585781 UUSJWHLSMNWYEK-UHFFFAOYSA-N 353.447 4.718 0 40 FJAB CCc1cc2cccc(C)c2nc1SCC(=O)NCc1cccs1 4849300 IRFTWTHWDUOQPC-UHFFFAOYSA-N 356.516 4.576 0 40 FJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)/C=C/c1ccc(Cl)cc1)CC2 5427739 YQONAWRUFZOFDL-MRZGDXHCSA-N 371.864 4.516 0 40 FJAB COc1cccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)c1 5550366 BXOKUIZEEVRUOA-OAQYLSRUSA-N 362.498 4.966 0 40 FJAB O=C(NC(=O)c1c(F)cccc1Cl)Nc1cccc(Cl)c1Cl 5567484 VJFLPUACFKUVLM-UHFFFAOYSA-N 361.587 4.748 0 40 FJAB Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 6461094 YTDOXFLHPJZLKM-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(C)cc2)cc1 6845165 ABLNBBKAIQMUKB-CJLVFECKSA-N 368.436 4.838 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)c2cccnc12 7612331 JUIROLUOYAENKE-UHFFFAOYSA-N 361.228 4.868 0 40 FJAB Cc1ccc(NC(=O)CN(c2cccc(C)c2)c2n[nH]c(=S)s2)cc1 8411878 AQMVBZALFGYCFF-UHFFFAOYSA-N 370.503 4.594 0 40 FJAB Cc1ccc(C)n1N(Cc1ccccc1F)C(=O)c1ccccc1Cl 8475567 AKESNBPKPVDJHL-UHFFFAOYSA-N 356.828 4.876 0 40 FJAB CCCOc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 8883542 MFIYGFGEWOUFOP-UHFFFAOYSA-N 358.488 4.842 0 40 FJAB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3)C[C@H]21 10215575 LAKAGOORFQLBCA-NFBKMPQASA-N 371.440 4.723 0 40 FJAB COc1ccc(Cl)cc1CN(C)C(=O)c1csc(-c2ccccc2)n1 10279562 NRTBJRCHSKUEQT-UHFFFAOYSA-N 372.877 4.744 0 40 FJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccc2ccccc2c1 11286478 JWDQFPYUEYWBIX-QGZVFWFLSA-N 364.464 4.630 0 40 FJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccnn1Cc1cccs1 12322398 JLYKJVQFEHMUHM-FZMZJTMJSA-N 370.305 4.523 0 40 FJAB COCCc1ccc(-c2csc(NC(=O)c3cc(F)ccc3F)n2)cc1 12784433 FZVBUKMCXOMVIC-UHFFFAOYSA-N 374.412 4.530 0 40 FJAB COc1cccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 12996517 BTUOULMUIKCWDM-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1C 14014620 LPXJWDYWEXFWMJ-MRXNPFEDSA-N 366.486 4.739 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)c2cccnc12 15840860 CAHOCSCYNIEUJO-OAHLLOKOSA-N 364.445 4.602 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccs4)nc32)cc1 15842252 VNVHWIQWQBANAX-UHFFFAOYSA-N 359.458 4.722 0 40 FJAB c1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccco2)cc1 16523735 VDVCPNKCJBZWSL-UHFFFAOYSA-N 373.441 4.696 0 40 FJAB COc1ccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c(OC)c1 19240087 UKIMGGABLWNEOB-KRWDZBQOSA-N 374.531 4.604 0 40 FJAB CCc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19522880 IPFPYMLCZPQCPM-LJQANCHMSA-N 350.466 4.663 0 40 FJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2cc(F)cc(F)c2)CC3=O)cc1 20101936 JVCDMXPANRMZND-AWEZNQCLSA-N 365.383 4.720 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1 30852598 YLTJFJJCKYUTIG-QGZVFWFLSA-N 363.910 4.547 0 40 FJAB Cc1ccc(C)c(NC(=O)CSCc2nc(-c3ccccc3C)no2)c1 31422960 NLVHFTQKTVJIMW-UHFFFAOYSA-N 367.474 4.534 0 40 FJAB CC(C)c1ccc(-c2nc(Cn3cnc4sccc4c3=O)cs2)cc1 31641101 GMQKJEMFLITROM-UHFFFAOYSA-N 367.499 4.753 0 40 FJAB Cc1cccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)c1 32610073 MOLSOPVZCDWBTL-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 32889585 HLLORIGQAFODLR-IERDGZPVSA-N 368.477 4.605 0 40 FJAB C[C@@H](CC(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccccc1 32924682 FGSVDWFKYWBYDA-INIZCTEOSA-N 364.420 4.823 0 40 FJAB Cc1cc2cc3c(N)c(C(=O)N4CCC[C@@H](C)C4)sc3nc2cc1C 35288736 FTCLWZBMGBMFSN-LLVKDONJSA-N 353.491 4.521 0 40 FJAB CC1=C[C@@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442650 CABBCXQNNORPAF-UFYCRDLUSA-N 368.525 4.527 0 40 FJAB biogenic,in-vitro O=C(NC1CCCCC1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832551 ZJLLMWJQQGGXLL-AWEZNQCLSA-N 369.336 4.654 0 40 FJAB C[C@@H](c1ccccc1Cl)N(CC(=O)Nc1cc(F)ccc1F)C1CC1 59334007 KKAPZRPQVFVHGZ-LBPRGKRZSA-N 364.823 4.782 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCOc1ccccc1Cl 59475305 GRXZMDANICLZTD-SOFGYWHQSA-N 370.663 4.855 0 40 FJAB O=C(Cc1noc2ccccc12)NCC1(c2cccc(F)c2)CCCCC1 63082354 AFJYQKGKVBKXDP-UHFFFAOYSA-N 366.436 4.528 0 40 FJAB CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1c(C)cccc1C 100705716 QGDDFDRRWFHPJT-IBGZPJMESA-N 355.873 4.670 0 40 FJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)CC2=O 100860029 CNBGURNJHFODHY-ROUUACIJSA-N 353.434 4.725 0 40 FJAB Cc1ccc2[nH]c(-c3cc(N)cc(-c4nc5cc(C)ccc5[nH]4)c3)nc2c1 216880919 MAAJDIFFGFKMJQ-UHFFFAOYSA-N 353.429 4.972 0 40 FJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2F)CCS1 219292450 YQSKCAGFLSOCEX-INIZCTEOSA-N 365.420 4.733 0 40 FJAB Cc1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225298022 KLTUTHPHHMSQKR-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 408594477 HHYQJFMAOCIAOY-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB COc1c(F)c(F)c(C(=O)Nc2cccc(Cl)c2Cl)c(F)c1F 408624624 YIQUVLZGQVEVFC-UHFFFAOYSA-N 368.113 4.811 0 40 FJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 408924549 JVGJWYLKTLIUGT-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB CCCSCc1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 1775972292 SNJVCXQQRMJSNR-VOTSOKGWSA-N 350.900 4.653 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)N4c5ccccc5C[C@@H]4C)sc3nc2c1 1342821 LIMHQWLVCZLYRD-ZDUSSCGKSA-N 373.481 4.932 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 1934214 QARLZTSTLUCKIN-UHFFFAOYSA-N 353.462 4.903 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 2636034 GBQHSLZTKOOHIL-UHFFFAOYSA-N 365.860 4.892 0 40 FJAB COC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc(C)c1C 2752943 SQRHJKQXRDKPDZ-BQYQJAHWSA-N 367.829 4.596 0 40 FJAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 3497259 GQZNJURAVDWPDM-UHFFFAOYSA-N 353.447 4.591 0 40 FJAB O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1 4060027 GHSFBOHHQWTBBB-SOFGYWHQSA-N 357.240 4.769 0 40 FJAB Cc1ccc([C@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)o1 4085563 LUHJHVPLHDFGIU-VGSWGCGISA-N 354.409 4.760 0 40 FJAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 4103871 SDPQDLYBQDWNHS-UHFFFAOYSA-N 361.438 4.585 0 40 FJAB OCCCc1nc2ccccc2n1CCCOc1cccc2ccccc12 4385616 LGBRJAVLBPCGGV-UHFFFAOYSA-N 360.457 4.584 0 40 FJAB O=C(Nc1cccc2nc(C(F)(F)F)[nH]c12)C12CC3CC(CC(C3)C1)C2 4625244 JVJVCYBIQFKIHN-UHFFFAOYSA-N 363.383 4.737 0 40 FJAB O=C(CSc1ccc2ccccc2c1)NCCc1c[nH]c2ccccc12 6507760 XVBRMRFMOCXPOH-UHFFFAOYSA-N 360.482 4.772 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 6629528 LCSKMNRWDDHZMC-LDADJPATSA-N 370.474 4.549 0 40 FJAB Cc1ccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)cc1 6975365 JUGKBOYUEUMZAQ-UHFFFAOYSA-N 373.503 4.542 0 40 FJAB Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 7885064 WQWPPPDJWCNTFI-IBGZPJMESA-N 364.426 4.556 0 40 FJAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 9935273 QDZWXGLFJOHKOY-QFQMRYFISA-N 355.441 4.987 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 10461620 BOWXEPIUZVMXHM-UHFFFAOYSA-N 356.425 4.532 0 40 FJAB O=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12998563 CCMNYVQUTRIYLN-LBPRGKRZSA-N 358.413 4.594 0 40 FJAB Cc1cccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1C 13477739 PVFCLBJJZBKTNT-UHFFFAOYSA-N 370.493 4.734 0 40 FJAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C)cc1 13750223 UCYSHKJHSVORJB-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc21 13961128 XQVGJYQAJMZOPQ-UHFFFAOYSA-N 359.376 4.873 0 40 FJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccnc1Cl 14257895 FNVJPFMLWJVHRI-UHFFFAOYSA-N 362.820 4.839 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 20609874 KUUQRQDNKXXPIT-MDWZMJQESA-N 374.831 4.726 0 40 FJAB CCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cc(C)ccc3nc21 21596582 GOCNUVULQWYVDE-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB Cc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 26158948 HZPRITPDEAPAAX-UHFFFAOYSA-N 363.436 4.759 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296791 ZHNJYJRWQXTHLL-QINHECLXSA-N 374.956 4.703 0 40 FJAB Cc1ccc(-c2nc(CN(C)Cc3nc4ccccc4s3)cs2)o1 29705896 ADLUABVOOQLGCE-UHFFFAOYSA-N 355.488 4.953 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 30754979 OHFRZDJGDDWFPV-MRXNPFEDSA-N 369.461 4.701 0 40 FJAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1ccccc1-c1ccccc1 32691356 FXUQXTLRJJMAAY-JOCHJYFZSA-N 373.452 4.741 0 40 FJAB Cc1ccc(-c2csc(Cc3nc(-c4cccc(F)c4)no3)n2)cc1 33298154 LZDXCQXXWUCIOP-UHFFFAOYSA-N 351.406 4.898 0 40 FJAB CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618457 SEDOBALBTACQIY-UHFFFAOYSA-N 367.405 4.507 0 40 FJAB O=C(Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1)NC1CC1 40090987 QQDOXLWKULBRBF-UHFFFAOYSA-N 371.440 4.890 0 40 FJAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 44949843 NAXUUJHVDZEGMT-HZPDHXFCSA-N 355.478 4.637 0 40 FJAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1nc2ccccc2[nH]1 47073698 SGQGYBSTVRQDCV-KRWDZBQOSA-N 374.469 4.664 0 40 FJAB CC(C)c1ccc(Cn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49605845 LSSWGUCWRJXLMV-UHFFFAOYSA-N 356.473 4.967 0 40 FJAB Cc1cc(C(C)(C)C)cc(C)c1CNc1ccccc1CS(C)(=O)=O 58471154 HSVQIWYFUAISSA-UHFFFAOYSA-N 359.535 4.758 0 40 FJAB CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 61773969 LRGAOUZJQSKSDM-OAHLLOKOSA-N 365.468 4.998 0 40 FJAB Cc1cc(F)ccc1NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 71761179 TXFONASMMBDTDF-UHFFFAOYSA-N 369.421 4.788 0 40 FJAB COc1cccc(OC)c1[C@H]1CCCCN1C(=O)OCc1ccccc1 72221449 ZKEBTUNGNDPIAZ-QGZVFWFLSA-N 355.434 4.568 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)C1=NO[C@@H](c2ccccc2)C1 84525333 CMIDDVNPCIOCFL-OAQYLSRUSA-N 363.461 4.523 0 40 FJAB Cc1ccc(-c2ocnc2C(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1 89640944 NNUXUEVAWVWJAS-UHFFFAOYSA-N 374.391 4.692 0 40 FJAB O=C(CCc1nc([C@@H]2CCCc3ccccc32)no1)c1ccc(F)c(F)c1 96009111 NBKWLJNBMDDEIA-MRXNPFEDSA-N 368.383 4.632 0 40 FJAB O=C(CCc1ccccc1Br)N(Cc1ccsc1)C1CC1 96120293 WHJLDAYDAASUHU-UHFFFAOYSA-N 364.308 4.634 0 40 FJAB O=C1Nc2ccc(Br)cc2[C@H]1Cc1ccc(C(F)(F)F)cc1 101016743 DIGSNWJBYXUWLD-CYBMUJFWSA-N 370.168 4.746 0 40 FJAB COc1ccc2nc(Nc3ccc(Br)cc3F)sc2c1 105686396 RAGBEYLDOVOUCD-UHFFFAOYSA-N 353.216 4.950 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 218950843 VGSRNYBXMIUPPO-UHFFFAOYSA-N 359.425 4.552 0 40 FJAB CCOc1cccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 225439499 MCGVFJSJVWVFEP-UHFFFAOYSA-N 354.397 4.591 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1N1CCCC1=O 225465755 JRJICGPFACKEHF-UHFFFAOYSA-N 359.882 4.584 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225637907 WHFDLKHLFHNZIV-MRXNPFEDSA-N 358.507 4.536 0 40 FJAB CCn1c(Sc2ccc(C=O)o2)nnc1-c1ccc(Cl)cc1Cl 408554860 FYSGIRVMLXQICC-UHFFFAOYSA-N 368.245 4.829 0 40 FJAB COc1ccc(CCCc2nnc(SCc3ccccc3F)o2)cc1C 409014201 MMTAOASVPKIQES-UHFFFAOYSA-N 372.465 4.993 0 40 FJAB Brc1cscc1CN1CCn2cccc2[C@H]1c1ccccc1 1139348677 VHZSULICLSITHH-GOSISDBHSA-N 373.319 4.917 0 40 FJAB COc1ccc(C(=O)Nc2cccc(C(=O)c3cccc(C)c3C)c2)cc1 857593 DWOBVRRMIIUHCR-UHFFFAOYSA-N 359.425 4.795 0 40 FJAB COc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)cc1 1453057 SOWUEVAHMLKQDY-INIZCTEOSA-N 354.258 4.781 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1cccs1 1504832 WXWIJOOGMOOXET-UHFFFAOYSA-N 356.834 4.906 0 40 FJAB Cc1cc(N)cc(C)c1-c1c(N)cc(Br)cc1Br 1675957 VYLZRSBPAZKGCD-UHFFFAOYSA-N 370.088 4.660 0 40 FJAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1 2224535 WFYAQDUHDRUESU-GOSISDBHSA-N 367.832 4.745 0 40 FJAB Cc1ccc2c(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cccc2n1 2375170 VMCUCOYYJHOMFY-UHFFFAOYSA-N 365.277 4.548 0 40 FJAB Cc1ccsc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 2617799 JJFBYLHNLXMQQA-SFHVURJKSA-N 361.470 4.647 0 40 FJAB COc1ccc(C2=NNC(c3ccccc3)=Nc3c(C)ccc(C)c32)cc1 4130114 LDCLEKUYJUNAPX-UHFFFAOYSA-N 355.441 4.746 0 40 FJAB COc1ccc(NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1 4700584 FRMOPYIVWWTXLV-UHFFFAOYSA-N 374.440 4.779 0 40 FJAB CCCCCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887748 KDJMVGDPIDRSFZ-ILWGZMRPSA-N 350.458 4.876 0 40 FJAB Cc1ccc2c(CSc3nc4ccc(Cl)cc4[nH]3)cc(=O)oc2c1 6161001 YFGQBZNAEAQRKG-UHFFFAOYSA-N 356.834 4.923 0 40 FJAB CCCCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccccc32)cc1 6481004 KSXBFYPJNOANOX-UHFFFAOYSA-N 370.456 4.694 0 40 FJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 6555892 XMXWYTLVNOSAAA-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(Cl)c1Cl 6583642 CJRSUFUGXDTOEU-MDZDMXLPSA-N 352.217 4.663 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)cs2)cs1 7195367 ZHNQFJILQOSUTL-UHFFFAOYSA-N 361.517 4.885 0 40 FJAB COc1ccc(CNC(=O)[C@H](C)Sc2cccc(C(F)(F)F)c2)cc1 7361852 BUNPSOYKYOFHQC-LBPRGKRZSA-N 369.408 4.511 0 40 FJAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)c2n1 7388426 JKVQJVZKMKBDJE-UHFFFAOYSA-N 363.486 4.793 0 40 FJAB CCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1 8691956 HLNDVSRRVIOSDC-UHFFFAOYSA-N 360.548 4.695 0 40 FJAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 8992724 YBBZVTUVKODZDH-FMQWLBJXSA-N 368.440 4.516 0 40 FJAB O=C(NCCCn1cnc2ccccc21)c1sccc1-c1ccccc1 9417837 WCXNMWWUROCFNL-UHFFFAOYSA-N 361.470 4.585 0 40 FJAB Cc1csc(CNc2nc(-c3cccnc3)nc3sc(C)c(C)c23)n1 9447403 HJHBKOYEBOUJED-UHFFFAOYSA-N 367.503 4.747 0 40 FJAB CC(C)c1ccc(CC(=O)Nc2nnc(CSc3ccccc3)o2)cc1 10097195 SJBKOXBLGRXVKD-UHFFFAOYSA-N 367.474 4.667 0 40 FJAB Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c2cnn(C(C)C)c2n1 10968138 WOLTYXDJQOTPLD-LJQANCHMSA-N 368.456 4.587 0 40 FJAB CCc1ccc(-c2nc(COc3ccc(Cl)cc3C(N)=O)cs2)cc1 11115007 CEUJOEPCBITKSK-UHFFFAOYSA-N 372.877 4.704 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 12408329 WBZQYUQYTCPONZ-UHFFFAOYSA-N 351.406 4.991 0 40 FJAB Cc1ccsc1CN(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 12525000 QYXCRDSBBOTHNA-UHFFFAOYSA-N 371.550 4.507 0 40 FJAB COc1cc(OC)c(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1Cl 12759652 JFFDKDZAHYJISN-LBPRGKRZSA-N 373.840 4.889 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3Cl)o2)cs1 12887803 CVNZLUKTELVSFH-UHFFFAOYSA-N 367.257 4.948 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(Br)cc1 13820275 ZKGDPYMIJZDJAV-ZDUSSCGKSA-N 363.324 4.757 0 40 FJAB C[C@H]1CCCCN1c1ccc(NC(=O)COc2ccccc2Cl)cc1 14268990 UQOWGNVZPMYUTE-HNNXBMFYSA-N 358.869 4.736 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1OC 20044270 HQNFILQSHLVILV-OAQYLSRUSA-N 363.457 4.664 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)cc1 23395608 HWAKKKYRGLSLBU-UHFFFAOYSA-N 371.387 4.710 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2csc3c2CCCC3)c(OC)c1 27155448 XNCHBEFWFPJMEE-GOSISDBHSA-N 371.502 4.621 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2ncccc2Cl)cc1 32789325 YGSJAKDOHMRBRW-UHFFFAOYSA-N 362.882 4.695 0 40 FJAB COc1ccc2nc(C(=O)N3CC[C@@H](C)Sc4ccccc43)ccc2c1 37132951 ANMWBENTEDYYEK-CQSZACIVSA-N 364.470 4.775 0 40 FJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1SC(F)F 39995545 QCLGIIWAGXPEDN-UHFFFAOYSA-N 367.465 4.652 0 40 FJAB Cc1oc(-c2cccs2)nc1C(=O)N1CCCc2c(F)cc(F)cc21 49698814 KYKLZFBHQPMBKX-UHFFFAOYSA-N 360.385 4.583 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(C)c1 51364425 FGADWTLLNLMHIU-LJQANCHMSA-N 372.468 4.770 0 40 FJAB COc1ccc(C)cc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760825 LXDYIXFWEFJKPT-UHFFFAOYSA-N 356.369 4.711 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213953 DCIGVMAQQVMNTR-HXUWFJFHSA-N 365.477 4.910 0 40 FJAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(SC(C)(C)C)nc1 72217401 XBCMWUMCYVDXHX-UHFFFAOYSA-N 366.527 4.850 0 40 FJAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccccc3)n2)cc1 72357739 OEHKEFHVORJTRA-XMMPIXPASA-N 370.496 4.887 0 40 FJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 85411969 GBNDMJHTVZZWDE-SFHVURJKSA-N 371.506 4.966 0 40 FJAB Fc1c(F)c(OC(Cl)(Cl)Cl)c(F)c(F)c1Br 95215594 NTPARKJAPPVJTE-UHFFFAOYSA-N 362.331 4.712 0 40 FJAB CC1=C(C(=S)Nc2ccccc2)[C@H](c2cccc3ccccc23)NC(=O)N1 100857984 DJRKHQGOLLALOC-FQEVSTJZSA-N 373.481 4.907 0 40 FJAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1nc2ccccc2s1 206667392 PKCWYMPFSWTMPY-UHFFFAOYSA-N 368.443 4.538 0 40 FJAB CC(C)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1 218958595 AOWIWIWPWMCTJK-UHFFFAOYSA-N 363.910 4.751 0 40 FJAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222949198 OKLNKMQDXIAJOU-QGZVFWFLSA-N 367.489 4.610 0 40 FJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223081051 MZBHMQJHZRRADT-IAGOWNOFSA-N 357.548 4.757 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(Cl)cc1 224283300 RDAHTUHMOODBTA-OAHLLOKOSA-N 353.849 4.619 0 40 FJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 224323531 MLADTKMNBBHHFB-RBUKOAKNSA-N 365.527 4.883 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 224355638 ZYFXSKXVOMVJQQ-VQTJNVASSA-N 363.486 4.975 0 40 FJAB Cc1cccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225427100 YJLFXMALZIZTBC-UHFFFAOYSA-N 369.715 4.898 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)c(C)c1 225685370 VQCBRSVCLOBTDK-SFHVURJKSA-N 370.518 4.901 0 40 FJAB S=C(Nc1ccc2c(c1)OCO2)NC1(CCc2ccccc2)CCCC1 225852291 CYXJBKGPHHCCNA-UHFFFAOYSA-N 368.502 4.647 0 40 FJAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N(C)C(=O)C(F)(F)F 226303041 AJCZCTAAKGAIAP-UHFFFAOYSA-N 351.412 4.988 0 40 FJAB Fc1ccc(Cc2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)cc1 257207709 BIWREUUMNWEEDD-QHCPKHFHSA-N 361.464 4.934 0 40 FJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 408629143 ZZZWZUZDVYVHPE-MRXNPFEDSA-N 367.518 4.501 0 40 FJAB COCCn1c(SCCc2ccccc2)nnc1-c1ccc(Cl)cc1 409108462 WBJQQCXMIYCVAX-UHFFFAOYSA-N 373.909 4.580 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)CC1 653146680 FESWXQIHNQVQDK-NTFDOXNWSA-N 373.541 4.596 0 40 FJAB O=C(Nc1cccc(Cl)c1)N[C@@H](c1cccs1)C1CCOCC1 1565523857 YVNZBQYMORCUIJ-MRXNPFEDSA-N 350.871 4.691 0 40 FJAB CCCSCc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 1772491298 WBAUDENYFYTYRW-UHFFFAOYSA-N 359.307 4.803 0 40 FJAB CCOc1ccc(CNc2c(C)cccc2Br)cc1OC 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O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccncc1 6330333 KUOVYTNTYVJLMP-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc2ccccc12 6911567 FJRTVYHNFYYXPC-HNNXBMFYSA-N 374.469 4.540 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccc(F)c(F)c2)N1Cc1ccccc1 7088030 RJIAHOAZDLUXOB-HXUWFJFHSA-N 350.368 4.732 0 40 FJAB CCSc1ccccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 7495567 NZGVOVGTYXPUFW-UHFFFAOYSA-N 374.937 4.723 0 40 FJAB CN(C)C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 7817859 IZMWWLADILKEFV-SFHVURJKSA-N 368.864 4.633 0 40 FJAB FC(F)(F)c1nnc2ccc(Oc3ccc(-c4ccccc4)cc3)nn12 9738118 COWVHGNCTQQVAK-UHFFFAOYSA-N 356.307 4.602 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)c(Cl)c1 9750873 QQCXTGJUQOEDBC-HNNXBMFYSA-N 368.264 4.545 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)cc1 12659735 PUUSWPIOBOHRDI-NNSJBKGDSA-N 355.409 4.534 0 40 FJAB CC(C)(C)c1ccc(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12732258 BZXYOOKMNDBYJZ-OAQYLSRUSA-N 351.490 4.517 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2c(F)cccc2Cl)cc1 12811561 KOGKQVGZTKTNKL-CVTTXWKISA-N 359.828 4.865 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Cl 20142430 DDBZZDMZYBQJGL-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 20160506 USNGRUQQVHJXDQ-VMPITWQZSA-N 355.615 4.939 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)o1 22122775 ODHRSWHKVRXBBC-LBPRGKRZSA-N 367.430 4.791 0 40 FJAB Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccco4)n3)n2)o1 24773014 RJNNZFBICZBLHB-UHFFFAOYSA-N 371.443 4.609 0 40 FJAB Cc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 28574375 VHOHDMHDLRCHLA-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 32910079 GGMLLTICYYDYEH-ZDUSSCGKSA-N 352.569 4.671 0 40 FJAB O=C(NCc1ccc(-n2cccn2)cc1)Nc1ccc(Cl)c(Cl)c1 32927863 KLEHLJXURGATTB-UHFFFAOYSA-N 361.232 4.501 0 40 FJAB COCCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 41294429 KPBLUHRVQQQYIC-UHFFFAOYSA-N 359.882 4.537 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 44839111 FJELBJODEBVXMI-NHCUHLMSSA-N 355.478 4.756 0 40 FJAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44909767 MLAXYRMPUJJINN-UHFFFAOYSA-N 364.533 4.734 0 40 FJAB CC(C)c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)nn1C(C)(C)C 45077342 UOBDCZICLWJKBJ-UHFFFAOYSA-N 359.436 4.612 0 40 FJAB O=C1CCCN1c1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1 53137356 DQGXDNDMQIFWDW-UHFFFAOYSA-N 367.836 4.734 0 40 FJAB Cc1c([C@H](C)NC(=O)c2csc(-c3ccccn3)n2)oc2ccccc12 61621744 LNTGPDCHPJTWGU-ZDUSSCGKSA-N 363.442 4.751 0 40 FJAB O=C(Cc1ccc2ccccc2c1)N1CCC(Nc2ccc(F)cc2)CC1 69393582 RLFNSUMDICXRFD-UHFFFAOYSA-N 362.448 4.625 0 40 FJAB CCS[C@H]1CCC[C@H]1NC(=O)c1sc(-c2cccs2)nc1C 75093452 XLDXUGSZVADRFI-NEPJUHHUSA-N 352.550 4.584 0 40 FJAB CC(C)[C@H](N[C@H]1CCc2c(F)cc(Br)cc21)c1ccccn1 95968210 WNPQMUMEKDHPHG-WMZOPIPTSA-N 363.274 4.957 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc(OC)c(C)c2)cc1 222657593 NQVZCGLYFNHBLL-OAQYLSRUSA-N 369.505 4.848 0 40 FJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCCC1 222735184 FXDFMZPNMFHDJT-WOJBJXKFSA-N 368.550 4.607 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 222895789 IWQLNOFAVDPTMY-WOJBJXKFSA-N 367.489 4.825 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 224469193 KWPNAQHMXCHXBO-NRFANRHFSA-N 369.505 4.609 0 40 FJAB CCCOCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OCC 224703270 BDTZEGUYKKILOH-UHFFFAOYSA-N 361.869 4.595 0 40 FJAB COc1ccc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1 225110263 QEAFMNWLJYJCCW-OAQYLSRUSA-N 364.397 4.562 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccccc1 225482005 AFZQLFFRCKPXLV-SFHVURJKSA-N 367.518 4.560 0 40 FJAB O=C(Cc1ccccc1)NCCSCc1ccc(Cl)cc1Cl 408907211 MTMMLGIPUVWSNF-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1O 409120280 VGRUFUYJGXFXFP-UHFFFAOYSA-N 350.256 4.782 0 40 FJAB CC(=O)N[C@@H]1C[C@H](C(c2ccccc2)c2ccccc2)O[C@@H]2CCCC[C@@H]12 2037844271 RXGRKPYAYLKDGE-WBADGQHESA-N 363.501 4.671 0 40 FJAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)cc1 756786 XZFJIGSGJNEYPH-UHFFFAOYSA-N 354.457 4.996 0 40 FJAB Cc1ccc2nc(C)cc(C(=O)Nc3ccc(Br)cc3)c2c1 920304 HTUUOUIKIYAAQF-UHFFFAOYSA-N 355.235 4.866 0 40 FJAB CCOc1ccc(-c2c(C)sc(NC(=O)C(C)C)c2C(=O)OC)cc1 937340 JSFZJOMVJCPISN-UHFFFAOYSA-N 361.463 4.503 0 40 FJAB Clc1ccc(COc2cccc(-c3ccnc4ncnn34)c2)c(Cl)c1 1389988 YVTWNTODZMESCE-UHFFFAOYSA-N 371.227 4.677 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 2543571 IXZUMSMDAHRUQJ-UHFFFAOYSA-N 358.894 4.662 0 40 FJAB CCN(CC)CC[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F 2555823 HVIWOGSUJDRVOR-ZDUSSCGKSA-N 371.321 4.525 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1F 2622013 LVPNMKPESPZPRX-UHFFFAOYSA-N 351.377 4.944 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)c(Cl)c1 3295970 HNXVSFUQZHRRHS-UHFFFAOYSA-N 362.212 4.823 0 40 FJAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccc(Cl)cc1 4289955 NKFRUBGRRCMOOP-FQEVSTJZSA-N 372.896 4.746 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)C1CC1 4341975 JQZOGPWTFWIQTF-UHFFFAOYSA-N 354.793 4.687 0 40 FJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccccc3s2)cc1C 4585328 KHWRITBSFAXLAX-UHFFFAOYSA-N 367.518 4.512 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C)c3ccccc3n2)cc1Cl 6788782 JJUMPTJFXRAPBM-UHFFFAOYSA-N 357.866 4.631 0 40 FJAB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)c1OC 6965815 HJWGXJKGVBZCRF-LRDNONRASA-N 365.429 4.537 0 40 FJAB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 7071339 QOTUGCHPJCUMQV-PRGOMRBVSA-N 360.523 4.953 0 40 FJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)N2C(=N1)Nc1ccccc12 9087375 PPBMNVYQNNIITE-HXUWFJFHSA-N 370.412 4.535 0 40 FJAB Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@H](c1cccc(F)c1)O2 11866493 GMPPOHOOXGELIQ-MRXNPFEDSA-N 352.361 4.564 0 40 FJAB CCc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 12420949 XTQOBSGDDJGGFN-JOCHJYFZSA-N 372.472 4.526 0 40 FJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NC4CCCCC4)cc3)o2)c1 12772305 IUUYFOSUQFHAIL-UHFFFAOYSA-N 361.445 4.775 0 40 FJAB Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)oc2ccc(Cl)cc12 13718919 PNSYRWXFMCAMIJ-UHFFFAOYSA-N 365.820 4.892 0 40 FJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(NC(C)=O)cc1 14227314 LKQQUVPUSZFRTL-MRXNPFEDSA-N 370.518 4.564 0 40 FJAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl 14268970 RFPLMQGHQJWZIC-CQSZACIVSA-N 358.869 4.980 0 40 FJAB CC(=O)NCCCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 19542473 TWFVLPRNCLVMSC-UHFFFAOYSA-N 354.450 4.685 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(COc2ccc(F)cc2F)cs1 25078030 ZUMNDATXPOMFJA-UHFFFAOYSA-N 360.385 4.685 0 40 FJAB COc1cc(NC(=O)CCc2cc3ccccc3o2)c(OC)cc1Cl 25385573 LZJGEZUEBNNBHY-UHFFFAOYSA-N 359.809 4.675 0 40 FJAB CCOc1ccc(-c2nonc2NC(=O)c2cccc3ccccc23)cc1C 27746754 KDESRCFEJZVSEB-UHFFFAOYSA-N 373.412 4.849 0 40 FJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Nc2ccccc2)cc1 32819015 ZQKCLIDHDUPJNC-UHFFFAOYSA-N 356.429 4.878 0 40 FJAB CCc1ccc(-c2csc(NC(=O)COc3cccc(F)c3)n2)cc1 32988000 FKJXLTWJNARKJY-UHFFFAOYSA-N 356.422 4.529 0 40 FJAB Clc1ccc([C@@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1 35655285 FWDWYWPDCCFGDL-INIZCTEOSA-N 370.890 4.887 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2nsnc2c1 38551334 PGCIYUFQTJNLDV-UHFFFAOYSA-N 372.862 4.721 0 40 FJAB COc1cccc(-c2nc(CSc3ccc(C)cn3)cs2)c1OC 42172084 MCBZQVVAXHNMKT-UHFFFAOYSA-N 358.488 4.823 0 40 FJAB Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 57364750 OPBPNELEYQRZBO-ZIAGYGMSSA-N 350.384 4.692 0 40 FJAB Cc1ccc(F)c(NC(=S)Nc2ccc(Br)cc2F)c1 71325950 AIVSNPVIJODHPE-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(Br)cc2)C1 89212678 XFCAEYKWEOVRFN-ZDUSSCGKSA-N 369.303 4.508 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222643089 BROUQZMNBNDCGF-HXUWFJFHSA-N 365.429 4.543 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2C)cc1C(C)C 223261629 ZYVVYZZENXNJAY-QGZVFWFLSA-N 355.478 4.692 0 40 FJAB Cc1c(Cl)cnc(NC(=S)NCc2ccccc2Cl)c1Cl 223933158 AKNDAKMZLAKSNY-UHFFFAOYSA-N 360.697 4.837 0 40 FJAB C[C@H](NC(=S)Nc1ccc(N2CCCC[C@@H]2C)nc1)c1ccccc1 223957762 MHCLYIVERFPWKK-HOTGVXAUSA-N 354.523 4.508 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COCC(C)C 224734985 AIQIJITYKZNSPT-QGZVFWFLSA-N 355.478 4.749 0 40 FJAB Cc1ccccc1OCCNC(=O)CSCc1cccc2ccccc12 224953800 FLZIRKPJHQUNBX-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(C)c(C)cc1C 225650568 CCUYCSFFEYYOJL-IBGZPJMESA-N 353.462 4.653 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1C 225882025 UETPXSYRYWYLNY-ROUUACIJSA-N 351.490 4.827 0 40 FJAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 226347827 YESTZESBDUWECT-UHFFFAOYSA-N 357.207 4.544 0 40 FJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)c(Cl)c1 1630407319 DRSYMIGXRZGBGQ-UHFFFAOYSA-N 360.841 4.575 0 40 FJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccc1 801465 WQLVZWXEYGMBAY-UHFFFAOYSA-N 373.481 4.815 0 40 FJAB COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC 833919 NZHRGFLNIISRAV-UHFFFAOYSA-N 350.205 4.697 0 40 FJAB Cc1cccc(C)c1N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 2066741 IBVIYUQOWXYEGG-CQSZACIVSA-N 351.705 4.574 0 40 FJAB CCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(F)cc1)CCC3 2099895 IRDGTJRUBRUDIQ-UHFFFAOYSA-N 352.405 4.952 0 40 FJAB biogenic O=C(CCc1ccccc1)Nc1scc(-c2cccs2)c1C(=O)O 2278573 UMTWBALFZLEAHF-UHFFFAOYSA-N 357.456 4.746 0 40 FJAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)cc1C 2887700 DNVZLYIRFYYLPE-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB O=C(NCCOc1ccccc1)c1ccccc1SCc1ccccc1 3075261 GOVMKLIPAHSLMC-UHFFFAOYSA-N 363.482 4.788 0 40 FJAB Cc1ccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1C 3310526 UASOCMACHMMTBE-UHFFFAOYSA-N 374.819 4.684 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CNCc3cccs3)ccc21 3338896 SFKDKUIBVILDKR-UHFFFAOYSA-N 363.486 4.604 0 40 FJAB O=C(CCCOc1cccc(Br)c1)Nc1ccccc1Cl 3483266 MVYSZPLDQHUJRN-UHFFFAOYSA-N 368.658 4.900 0 40 FJAB CN(CC(=O)Nc1ccc2ccccc2c1)Cc1c(F)cccc1Cl 3586933 WAWDLNYJRHXOAU-UHFFFAOYSA-N 356.828 4.703 0 40 FJAB Cc1cc(OCc2nnc(/C=C/c3ccccc3)o2)ccc1Br 4657202 ZDIWZKOOVSTTFO-JXMROGBWSA-N 371.234 4.890 0 40 FJAB O=S(=O)(Nc1ccc2ncccc2c1)c1ccc2oc3ccccc3c2c1 4687150 YSYKUGHNYDAXTQ-UHFFFAOYSA-N 374.421 4.935 0 40 FJAB c1ccc(-c2cnc(Cn3c(-c4cscn4)nc4ccccc43)o2)cc1 5265396 BSWRSRIIACKQII-UHFFFAOYSA-N 358.426 4.863 0 40 FJAB CCc1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)s1 5509242 QCZJVJRFPLIFSR-UHFFFAOYSA-N 366.471 4.630 0 40 FJAB Cc1ccc(CNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 6218368 VUENVHJLIFTPLG-UHFFFAOYSA-N 373.481 4.839 0 40 FJAB Cc1nc(COc2ccccc2C(=O)OCc2cccc(F)c2)cs1 7625998 FZKKNEKPNUCNBV-UHFFFAOYSA-N 357.406 4.527 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 7640645 SKRBDJAHSGIEFS-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB CCCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1 9141930 CXODQOWQBMLJGP-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB CSc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 10024871 OKMAAEAVCQFENL-UHFFFAOYSA-N 369.317 4.786 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)Nc2nc3ccccc3s2)cc1 10035526 BXIVIGSGGCLICN-MRXNPFEDSA-N 353.447 4.674 0 40 FJAB O=C(COc1ccccc1F)Nc1ccc(-c2nc3ccccc3o2)cc1 10421558 QVYZPBQWNUIPNU-UHFFFAOYSA-N 362.360 4.651 0 40 FJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cc1F 11425620 YVIDEFVIUVATFH-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCCC1 11566023 ZFJHMSUHWPSYEZ-UHFFFAOYSA-N 367.555 4.908 0 40 FJAB CCc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620974 IJYZYDHPQGROKY-UHFFFAOYSA-N 357.885 4.553 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccccc1Cl 12764359 LUAJUSNBDQSZKJ-NSHDSACASA-N 357.866 4.658 0 40 FJAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(Br)o1 12787821 CTVDMWNIDWAWON-UHFFFAOYSA-N 370.246 4.604 0 40 FJAB Cc1ccc([C@@H](NC(=O)CCc2c(C)noc2C)c2ccccc2)cc1C 12790523 ITSKZQLGUWEDSB-QHCPKHFHSA-N 362.473 4.747 0 40 FJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(C)cc1C 12872248 WGJSRHWMXMNIIP-UHFFFAOYSA-N 353.447 4.636 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)o2)cs1 12936094 PWEDOXHDVGMFNU-UHFFFAOYSA-N 367.257 4.948 0 40 FJAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)c1nc2ccccc2[nH]1 13141297 OQRYCIHYSMNFAY-QFIPXVFZSA-N 357.457 4.772 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 14094014 VVDLXIPYNIJITP-UHFFFAOYSA-N 369.446 4.640 0 40 FJAB COc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)cc1 15669867 XWUAQVNKDUDJBL-UHFFFAOYSA-N 367.836 4.982 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 17446820 TYOWKMWZPLPVSF-OAHLLOKOSA-N 366.848 4.732 0 40 FJAB CCOC(=O)c1c(C)nc(-c2ccccc2)nc1SCc1ccccc1 20100183 WDJSCPYZHOOTNU-UHFFFAOYSA-N 364.470 4.921 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1cccc(C(=O)O)c1 20150962 CDQKHBNYKPQQRD-PKNBQFBNSA-N 367.788 4.950 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C)c2C)cc1 24813526 IHJNZTBMERROBU-UHFFFAOYSA-N 366.490 4.562 0 40 FJAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(-c3ccccc3)n[nH]c2N1 35143199 KMRRJJXWBAIBFS-ZDUSSCGKSA-N 358.228 4.858 0 40 FJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nc(C2CC2)no1 53563534 JUKYUVLGXNSXKZ-QMMMGPOBSA-N 366.368 4.762 0 40 FJAB CCN(CC)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1N 72229270 SRQNLXNFGWSLOM-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB Cc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 78579506 CDILLMBLKDILOM-UHFFFAOYSA-N 359.469 4.937 0 40 FJAB CC(C)Nc1cccc(CNC(=O)Nc2ccc(N3CCCCC3)cc2)c1 79073035 OUSYNJSUZUOQCM-UHFFFAOYSA-N 366.509 4.819 0 40 FJAB COc1cc(C=O)c(Br)cc1OCc1c(F)cccc1Cl 95094998 MDVJEDNJLQPSBT-UHFFFAOYSA-N 373.605 4.642 0 40 FJAB O=C1Nc2cc(Cl)ccc2/C1=C\c1cnn(Cc2ccccc2Cl)c1 96288982 FAHKTHIJDWEUFD-FRKPEAEDSA-N 370.239 4.731 0 40 FJAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@H](C)c2cccc(O)c21 186292908 BRXKMBZPMDZUCO-LBPRGKRZSA-N 368.458 4.500 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223201379 MYDHFJZDOJJTPP-PMACEKPBSA-N 355.478 4.737 0 40 FJAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2ccc(Cl)cc2)cc1 223383760 MYIGJQKIAXFCLR-AWNIVKPZSA-N 357.881 4.846 0 40 FJAB Nc1ccccc1NC(=O)c1ccc(-c2ccccc2Br)o1 226347796 GOLMRRMVTDANMM-UHFFFAOYSA-N 357.207 4.544 0 40 FJAB Cc1nc(-c2cc([C@H]3CCCN3C(=O)OC(C)(C)C)ccn2)sc1C 257288526 PUNCFHHCEXLCMX-MRXNPFEDSA-N 359.495 4.894 0 40 FJAB COc1cc(COc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 408540463 SECBDEFTYYVESL-UHFFFAOYSA-N 364.397 4.551 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408587953 VDTOPDCGZFDDJI-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)NC1CCCC1 408622388 PCHGVJDTYPKLTM-ZRDIBKRKSA-N 374.893 4.547 0 40 FJAB Cc1cccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408714510 SIJORNYLUDQOEW-UHFFFAOYSA-N 363.461 4.615 0 40 FJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(C(=O)O)cc1 408822709 BSPOISBTNZTRDB-UHFFFAOYSA-N 373.408 4.653 0 40 FJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)cc1 408994984 KDTVVQWASUHFLV-VSKRKVRLSA-N 371.436 4.864 0 40 FJAB O=C(O)Cc1c(-c2cc3ccccc3o2)oc2c1c(=O)oc1ccccc12 524730386 HHCGBCXDIPQIRQ-UHFFFAOYSA-N 360.321 4.580 0 40 FJAB biogenic Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccnn3[C@H](C)C3CC3)C2)cc1 573631220 POWZJCHWNMFPIY-FRQCXROJSA-N 352.482 4.572 0 40 FJAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(C)n1[C@@H]1CCCOC1 1651474255 DEXLJOQMPDTYQI-DNVCBOLYSA-N 374.912 4.943 0 40 FJAB CCOC(=O)c1c(-n2cccc2)c2ccccc2n1Cc1ccc(C)cc1 1397489 ZBVRNBJFXUXMAK-UHFFFAOYSA-N 358.441 4.965 0 40 FJAB CCCC[C@H](CC)C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl 2069841 HCMWXPQCFUFKEH-AWEZNQCLSA-N 352.906 4.881 0 40 FJAB O=c1c2ccsc2nc(SCc2ccccc2)n1-c1ccccc1 2634836 WRJHXCBFKWNDSL-UHFFFAOYSA-N 350.468 4.740 0 40 FJAB Cc1ccccc1NC(=O)C[C@H]1C[C@H](C(=O)Nc2ccccc2C)C1(C)C 3172177 FGSSIGKBEJZSTR-QZTJIDSGSA-N 364.489 4.933 0 40 FJAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1F 3354511 UWBOFGDLDMAYDN-SECBINFHSA-N 372.774 4.513 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 3360046 UZRIAAGDQIJJRH-UHFFFAOYSA-N 366.505 4.992 0 40 FJAB O=C(O)C/C(=C\c1ccc(Br)s1)c1nc2ccccc2o1 5798251 XQKNOYKSDOOKGI-VQHVLOKHSA-N 364.220 4.667 0 40 FJAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccccc1Cl 6180900 VOHASCDWSJQEIM-VOTSOKGWSA-N 353.201 4.679 0 40 FJAB CCOc1cc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1OC 7608349 XGBJQFPQKWIFTB-BJMVGYQFSA-N 373.836 4.602 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1Cl 7922134 LSAUKQXGEDTHGT-LBPRGKRZSA-N 359.882 4.581 0 40 FJAB Cc1cc(C)cc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1 7922210 COPOUCACLMNXBF-OAHLLOKOSA-N 353.491 4.545 0 40 FJAB O=C(c1ccccc1)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 8075193 FXYNJBYZRAEDNZ-LJQANCHMSA-N 364.474 4.505 0 40 FJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 8273707 DSRSVKQSQTYEEE-UHFFFAOYSA-N 353.853 4.533 0 40 FJAB CC[C@@H](C)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8325955 QFVHDUNORYVODJ-CYBMUJFWSA-N 351.849 4.955 0 40 FJAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1 9461845 BNDFJZKUIZIFTC-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB CC(C)c1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc1 9669166 BCWPBPKXNNKUEJ-UHFFFAOYSA-N 354.841 4.688 0 40 FJAB Cc1noc(-c2cnc(NCc3cccc(F)c3)nc2-c2ccco2)c1C 12186818 FNWHGWOWMJRRIT-UHFFFAOYSA-N 364.380 4.760 0 40 FJAB Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c(C)c1 12274585 SMDMZRNFMNMBQA-UHFFFAOYSA-N 370.246 4.994 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCc1cccc(C)c1 16349347 OJPPSTRQHGOVPG-UHFFFAOYSA-N 361.485 4.915 0 40 FJAB CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(c4ccccc4)CC1)(C2)C3 16778759 MGBWLBGCBGWAGY-UHFFFAOYSA-N 366.549 4.722 0 40 FJAB COc1ccc(CN[C@H](Cc2ccsc2)c2ncccc2C)cc1OC 19237642 KTCJDNWKGKEWEC-GOSISDBHSA-N 368.502 4.542 0 40 FJAB c1cnc2c(CN[C@H](Cc3ccsc3)c3nccs3)cccc2c1 19347325 VUKMOODEOZGLQC-QGZVFWFLSA-N 351.500 4.826 0 40 FJAB COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc1 20102238 JALKGIGQUHHRFY-KRWDZBQOSA-N 373.456 4.758 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 20488515 SBMSZVFXSMMODV-SKELBMGJSA-N 357.453 4.923 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2nc(Cl)ccc2Cl)C2CC2)o1 27277712 YKROSUJHYTWABW-GWCFXTLKSA-N 365.260 4.910 0 40 FJAB Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc1 27584323 KOCLJQIQFGYLMB-JOCHJYFZSA-N 350.506 4.651 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@@H](C)c2ccccc21 31781146 PARDFOJUACZKKE-CYBMUJFWSA-N 352.459 4.794 0 40 FJAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1cc(=O)c2ccccc2o1 32398308 QIJCYTIODHVWMO-LJQANCHMSA-N 353.443 4.516 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 32963889 DDQQYSWTNYNHHJ-DYESRHJHSA-N 366.505 4.902 0 40 FJAB Cc1cc(C)c2cc(CNCc3ccc4c(c3)OCO4)c(Cl)nc2c1 35311721 AQSWNTZXPYPUKT-UHFFFAOYSA-N 354.837 4.524 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)C1(c2ccccc2)CCOCC1 41790087 ZSLALNFWOGRJLQ-UHFFFAOYSA-N 357.453 4.625 0 40 FJAB O=C(Nc1ccccc1OC1CCCC1)c1cnn(-c2ccccc2F)c1 58687943 ZSXQAVKPSAIZKI-UHFFFAOYSA-N 365.408 4.585 0 40 FJAB COc1ccc(Cc2ccc(F)cc2)cc1-c1nc(-c2ccccn2)no1 66088565 GOGKRFVXHOKMRY-UHFFFAOYSA-N 361.376 4.537 0 40 FJAB CCOc1ccccc1-n1nnnc1S[C@H](C)c1ccccc1Cl 79391853 BYLDFTRXCWOBCL-GFCCVEGCSA-N 360.870 4.568 0 40 FJAB Cc1cccc(N2C(=O)c3cccc4cc(Br)cc(c34)C2=O)c1 95470767 NMNCLIOKOMTXTH-UHFFFAOYSA-N 366.214 4.711 0 40 FJAB Cc1nn2c(=O)c(Cl)c(-c3ccccc3)[nH]c2c1-c1ccc(Cl)cc1 101311681 GVFSHPSXWFSMMN-UHFFFAOYSA-N 370.239 4.972 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1cccc(OC(C)C)c1 219294044 ZHFUTRYNMRJDMY-GOSISDBHSA-N 369.505 4.553 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(OC)cc1 222912987 OLHISNZPMFDHHE-OAQYLSRUSA-N 369.505 4.509 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)s1 223081430 XDXXYBWMNJVHMP-ROUUACIJSA-N 357.548 4.757 0 40 FJAB CCSc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C 223719473 VSHPPFFSUXAYQD-UHFFFAOYSA-N 357.519 4.905 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224435165 KWKAOOSPJNKSLU-OAQYLSRUSA-N 360.457 4.777 0 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Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(C)c1 7748178 BHGCUTGGAQLZJL-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3cccc(Cl)c3)n2)cc1 8156812 IDXXQAITJDWQJE-LBPRGKRZSA-N 357.866 4.797 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1 8433659 STCMHDJZYCNLSH-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB C[C@@H](NC(=O)c1sccc1-c1ccccc1)c1ccc2c(c1)OCCO2 8726989 NUCMSAAJGHISJR-CQSZACIVSA-N 365.454 4.677 0 40 FJAB COCCCNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 11612385 KMJHYAKXGFMCCJ-UHFFFAOYSA-N 372.266 4.508 0 40 FJAB Cc1ccc(-c2nc(CN(Cc3ccco3)Cc3cccs3)no2)cc1 12799085 BSUSQFXBRMXNOX-UHFFFAOYSA-N 365.458 4.902 0 40 FJAB CN(Cc1ccco1)C(=O)COc1ccc(-c2ccccc2)cc1Cl 17790997 HXXXUKFBQALVTB-UHFFFAOYSA-N 355.821 4.637 0 40 FJAB C=COCCCNc1ncc(-c2ccc(F)cc2)c(-c2scnc2C)n1 19562394 UMJKHYNKEYMQFS-UHFFFAOYSA-N 370.453 4.677 0 40 FJAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3cnn(C)c3C)c(-c3ccccc3)c2c1 19716827 LBCYXHUZPQHKCJ-HNNXBMFYSA-N 372.472 4.676 0 40 FJAB O=C(COCc1cc(-c2cccs2)on1)Nc1cccc2ccccc12 20531681 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Cc1cc(NC(=O)[C@@H](c2ccccc2)n2cccc2)ccc1Br 70636891 SCJDNXRIBXCULM-GOSISDBHSA-N 369.262 4.787 0 40 FJAB O=C([C@@H]1Cc2ccccc2O1)N(Cc1cccs1)c1ccc(F)cc1F 84581730 LSMHCXCWMGZFOJ-IBGZPJMESA-N 371.408 4.563 0 40 FJAB CCOc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1OC 85384412 MGWZKHSZKUNHLI-UHFFFAOYSA-N 363.339 4.565 0 40 FJAB Cc1ccc(C2(CNC(=O)Nc3ccc(Cl)cc3)CCOCC2)cc1 96182502 DFCBVEXAJSXLAQ-UHFFFAOYSA-N 358.869 4.518 0 40 FJAB O=C(Nc1ccccc1N1CCCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102355291 VINYYTALNZMYBY-AJHHTPGJSA-N 358.913 4.803 0 40 FJAB O=C(CSCc1cccc(Br)c1)NCCC1=CCCCC1 141743275 VPBXECKVIWDTLM-UHFFFAOYSA-N 368.340 4.689 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 225059945 LNRZTLULKDWQFV-SFHVURJKSA-N 373.880 4.918 0 40 FJAB CCOc1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225330792 ZKMMWVPGMDUQFC-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB C[C@@H](COc1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl 225380076 ZXTCHMKXSWKWSF-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Cl)cc1 225771990 BLRRKVIIQLTCIR-ZDUSSCGKSA-N 371.893 4.610 0 40 FJAB O=c1c2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2[nH]n1-c1ccccc1 408969778 UJPNTWOPIBPRTP-UHFFFAOYSA-N 373.309 4.539 0 40 FJAB Cc1ccc(Cl)c(OCC2(O)CCN(C3CCC(C)(C)CC3)CC2)c1 585281335 IKPNGBJMSWQJLD-UHFFFAOYSA-N 365.945 4.823 0 40 FJAB O=C(NCCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1Cl 1115936585 NSKPVEDHVWIEJY-UHFFFAOYSA-N 361.228 4.621 0 40 FJAB CCOC(=O)c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 1033692 GJQJYFWWRJBYQQ-UHFFFAOYSA-N 358.397 4.921 0 40 FJAB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 1391266 PEEUAMSMPQQKOX-UHFFFAOYSA-N 350.780 4.845 0 40 FJAB Cc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2C)c1 2226001 WMUQYRGAMBAKFJ-UHFFFAOYSA-N 374.307 4.845 0 40 FJAB COc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)c1 3907969 QKNWGKKVACOERR-UHFFFAOYSA-N 362.307 4.621 0 40 FJAB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)C2CC2)n1 4060645 QHYYLLJHWUNUQT-CQSZACIVSA-N 350.393 4.879 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3ccccc3nc21 5477811 GSHMIRUKSAFKQN-UHFFFAOYSA-N 374.444 4.646 0 40 FJAB CC(C)NC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6049695 BTYYPSTYJUEIHK-UHFFFAOYSA-N 362.389 4.680 0 40 FJAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)cc1 6341563 YDWNWSMXXPOAFB-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB CC(=O)c1sc(-c2c(C)nc3sccn23)nc1-c1ccccc1F 6567051 WGURQIAMDAMSDC-UHFFFAOYSA-N 357.435 4.836 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)N[C@H](c1ccccc1)c1ccncc1 6978064 YSZUTTYVBZZJJT-HXUWFJFHSA-N 371.267 4.837 0 40 FJAB COc1ccccc1CN(C)C(=O)c1ccc(COc2ccccc2)cc1 7989943 ONKYSXXETYYRJI-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB CCCCCCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1OC 8403015 GHMAGEJFKUWNCV-UHFFFAOYSA-N 371.477 4.673 0 40 FJAB O=C(Cc1nc(-c2cccc3ccccc23)cs1)NCc1ccccc1 8943840 FEMYXFMCWSEKAU-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB O=C(CCC(=O)c1cccs1)N[C@@H](Cc1ccccc1)c1ccccc1 9646946 BFIMOVRKGUUKBX-IBGZPJMESA-N 363.482 4.811 0 40 FJAB Cc1cccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 12615917 MAVBVGSHKYUHAI-UHFFFAOYSA-N 372.468 4.750 0 40 FJAB OC1CCC(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 12910912 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0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](c1cccs1)C(C)C 21494733 RDOCIJNHGVSPRU-WIYYLYMNSA-N 368.502 4.526 0 40 FJAB C[C@@H](OC(=O)CCc1ccccc1Cl)c1nnc(-c2ccccc2)o1 23327137 QOEAMNJPDDCCSC-CYBMUJFWSA-N 356.809 4.627 0 40 FJAB Cc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 24691810 NAXPHROEYOZZPX-UHFFFAOYSA-N 369.515 4.710 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 27584512 DKBBUYDSPVYQKF-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC1CCCCC1 31903403 XXJASNKSOPPAEX-OAHLLOKOSA-N 351.450 4.701 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(Cn2cccn2)c1 44247322 XKUYEQNOCJLBJW-GOSISDBHSA-N 366.490 4.534 0 40 FJAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1 63879207 WYSQZGUGGJKWSX-ZHACJKMWSA-N 370.499 4.895 0 40 FJAB Cc1cc(C)c2nc(NC(=O)c3csc(Br)c3)sc2c1 70140539 JJJKAJMSVOOFAA-UHFFFAOYSA-N 367.293 4.989 0 40 FJAB Cc1ccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)s1 71792990 GMHZAVWVXBXDKL-FLIBITNWSA-N 362.376 4.730 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216671 JPHUJLWPUUCRET-SFHVURJKSA-N 359.514 4.924 0 40 FJAB COC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 216818852 YHFMKPBQTINNNS-UHFFFAOYSA-N 373.605 4.607 0 40 FJAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1C 219282378 PUUMWWZJWPFASI-IBGZPJMESA-N 355.478 4.521 0 40 FJAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223206353 AZRGNZAPEBNAQZ-MRXNPFEDSA-N 351.490 4.729 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225477355 DQTDXTKERSPXAA-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCCC1 225899320 AYMIACZUIXKZJU-UHFFFAOYSA-N 356.466 4.700 0 40 FJAB C[C@@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1 257202942 ANYRKJMGNHRREI-HKVPTBLXSA-N 352.430 4.806 0 40 FJAB Oc1cc2c(cc1-c1c(-c3ccccc3)oc3cc4c(cc13)OCO4)OCO2 524729083 CAKYZJKXRPKOJF-UHFFFAOYSA-N 374.348 4.930 0 40 FJAB biogenic Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 543333930 ZEDQCZORTLLQCY-BXKDBHETSA-N 366.292 4.583 0 40 FJAB CCCc1sc(-n2cccc2)nc1C(=O)Nc1cccc2ncccc12 1565524169 DEZPTYWQGGMROZ-UHFFFAOYSA-N 362.458 4.687 0 40 FJAB O=C(c1cc2ccccc2oc1=O)c1coc2c1cc(O)c1ccccc12 983946 ALUQXSJARGBEOQ-UHFFFAOYSA-N 356.333 4.629 0 40 FJAB CC(C)Cc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCCC2 1247873 JCXQVXWZYWBMSZ-UHFFFAOYSA-N 366.534 4.917 0 40 FJAB Cc1cc(C)c2nc3sc(C(=O)N4CCC(C)CC4)c(N)c3cc2c1 1342945 FWKBOQWSAPPVRJ-UHFFFAOYSA-N 353.491 4.521 0 40 FJAB O=C(Nc1ccc(Br)cc1Br)c1cccc(F)c1 1437742 JWDVEMKEUSZJGR-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cnccn2)cc1 2204569 ILGPWYQHEWBCBG-UHFFFAOYSA-N 373.485 4.633 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)NCc1ccc(F)cc1 2624061 MMZVXGLSDNDAON-UHFFFAOYSA-N 360.479 4.624 0 40 FJAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)C1CCC1 3353986 WJOTVAYTEUWJHK-UHFFFAOYSA-N 374.318 4.876 0 40 FJAB COc1cc2ccccc2cc1C(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 3534440 GNBGAOXITXQBGA-SFHVURJKSA-N 374.484 4.508 0 40 FJAB CC(C)C(=O)Oc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C 3897012 FCKATFUXLOPKQT-HSZRJFAPSA-N 363.457 4.778 0 40 FJAB biogenic Cc1cc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc12 4117011 GQHCHAKYQAJGSJ-UHFFFAOYSA-N 366.530 4.720 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 4900224 OAWOATRDZLDNDV-ITZNTROMSA-N 362.554 4.769 0 40 FJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 4910804 DYPJCABZZZVBHN-HNNXBMFYSA-N 357.425 4.722 0 40 FJAB C[C@@H]1CCCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)C1 4980618 SOQWGLANVNQREA-OAHLLOKOSA-N 364.468 4.651 0 40 FJAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)o1 5030011 MOVVVHJWCNHYEC-FXAWDEMLSA-N 365.820 4.879 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1cccc(N2CCCCC2=O)c1 5441674 AXRHZCXNYBNCNX-UHFFFAOYSA-N 358.441 4.538 0 40 FJAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 5971989 YGEOIYIYMGNEDT-UHFFFAOYSA-N 356.472 4.550 0 40 FJAB O=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(Cl)cc1Cl 6476105 MPXJXEYKLDGYSS-UHFFFAOYSA-N 372.211 4.595 0 40 FJAB aggregator COc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1Cl 7643312 ISIXAKRJDXUWBJ-UHFFFAOYSA-N 372.877 4.962 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 7929265 ACRPHAXFKVKZIG-SJLPKXTDSA-N 365.473 4.775 0 40 FJAB O=C(NCc1ccccc1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 8018923 FKCHRVTXBGUPOG-HXUWFJFHSA-N 373.481 4.713 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(Br)c[nH]1 8938241 WZLPVVYHTUWPNU-UHFFFAOYSA-N 357.207 4.822 0 40 FJAB COc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(C)cs2)cc1 9305319 YFNMQRQDHKGQMY-MRXNPFEDSA-N 355.488 4.877 0 40 FJAB CC(=O)N1N=C(c2c(C)coc2C)C[C@@H]1c1cc(Cl)ccc1Cl 9420374 IPSLWQLJLIZZMR-MRXNPFEDSA-N 351.233 4.901 0 40 FJAB Cc1cccc(N2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)c1C 10315336 WWYZKPAMCKWPHR-UHFFFAOYSA-N 364.533 4.708 0 40 FJAB Cc1cc(-c2cnc(N[C@H](C)c3ccccn3)nc2-c2cccs2)on1 12088804 CFMJXAGJDCMFQK-CYBMUJFWSA-N 363.446 4.737 0 40 FJAB Brc1ccc(CSc2nnc(Cc3ccccc3)o2)cc1 12249309 BUHKECUTWKSRJS-UHFFFAOYSA-N 361.264 4.715 0 40 FJAB CSc1ncc(C(=O)N2CCC[C@@H]2c2cccs2)n1-c1ccccc1 12540695 ZZVSJAGDVXXFHM-OAHLLOKOSA-N 369.515 4.633 0 40 FJAB COc1cc(OC)c(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1Cl 12759657 JFFDKDZAHYJISN-GFCCVEGCSA-N 373.840 4.889 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 12995410 KHMSUJDUYWSBTA-UHFFFAOYSA-N 371.368 4.790 0 40 FJAB COc1ccc(/C=C(/C(=O)N2CCc3ccccc32)c2ccccc2)cc1 13675432 XQFGQHYFNWTEEC-OQKWZONESA-N 355.437 4.825 0 40 FJAB CC1CCN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CC1 14268863 WXFHSKSTDGDIAS-UHFFFAOYSA-N 358.869 4.594 0 40 FJAB CC(=O)c1csc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)n1 15201055 PGPWWKIRBAZKCC-HWKANZROSA-N 374.771 4.670 0 40 FJAB Cc1ccc([C@H](NC(=O)c2ccccc2Cl)c2cccnc2)cc1C 15839759 YUSFEYUJWDRANO-FQEVSTJZSA-N 350.849 4.871 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc(F)cc1 17178189 YHKUHRLIGHKXSJ-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB COc1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 20040546 FSNUTIOQGIARLH-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC 20047126 PMGPRFUAZJECCW-AWEZNQCLSA-N 359.491 4.947 0 40 FJAB O=C(NCc1ccco1)c1ccccc1Nc1ccc(OC(F)F)cc1 20958898 YOWAVFHRLDMYSG-UHFFFAOYSA-N 358.344 4.555 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)cc1 24431850 POJGLXXCWKRIIJ-HXUWFJFHSA-N 352.409 4.826 0 40 FJAB Clc1ccc2c(N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ncnc2c1 25005770 HSPZSRNCIUWNPX-CYBMUJFWSA-N 363.852 4.544 0 40 FJAB O=C(Nc1ccn(Cc2ccc(F)cc2)n1)Nc1cccc2ccccc12 28225101 IXXFZSMOXIPDGD-UHFFFAOYSA-N 360.392 4.868 0 40 FJAB O=C1CSc2ccccc2N1C(=S)Nc1cccc(C(F)(F)F)c1 28527757 XSIHVJFQDKYQHN-UHFFFAOYSA-N 368.405 4.541 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1cccc(Br)c1 32803385 UXNHZOITLKLGJR-KGLIPLIRSA-N 361.283 4.913 0 40 FJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1F 36446884 AFAJAWICVXTCPL-LJQANCHMSA-N 372.490 4.535 0 40 FJAB C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nc3ccccc3s2)c1 41127638 YYYDRPHSEZIWHV-HNNXBMFYSA-N 350.487 4.907 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1c(F)cccc1F 54566801 GJPCCIQDJVWPHF-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2CC(C)C)c1 59094239 IPHFNOHJSQBBME-UHFFFAOYSA-N 352.503 4.962 0 40 FJAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72349625 VKXPRWNGGHVLHY-SFHVURJKSA-N 364.489 4.653 0 40 FJAB Cn1ccnc1CN1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72350007 UGEBJZDCYIRNSA-QGZVFWFLSA-N 366.896 4.515 0 40 FJAB CCOC(=O)/C(C)=C(/c1ccccc1NC(=O)OC(C)(C)C)C(F)(F)F 96171919 STZLXOMEXRIOQD-KAMYIIQDSA-N 373.371 4.933 0 40 FJAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 103007960 OATWVEOEZQIVDY-SZMVWBNQSA-N 372.468 4.570 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059216 FRJVNTYVBIVBHQ-RHSMWYFYSA-N 373.880 4.834 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 222994848 NCKUKAQJOAXDKI-NRFANRHFSA-N 369.505 4.609 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1 223956848 VHIGLJJFTIAYKP-DYESRHJHSA-N 351.490 4.909 0 40 FJAB Cc1ccc(S[C@@H](Cc2cccc(Br)c2)C(=O)O)cc1 225064420 KTZINVFQSIKTKD-HNNXBMFYSA-N 351.265 4.546 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 225302643 RRLUFXOSUFOTIV-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CCOc1cccc(NC(=S)NCCSCc2cccc(C)c2)c1 225338265 YUHHXZMQUXNLHX-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB COc1ccccc1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225550504 FCGZNZZWSUJLBY-UHFFFAOYSA-N 368.424 4.633 0 40 FJAB CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(OC)c(OC)c1 225808128 QNMRXOJCIUWROD-IBGZPJMESA-N 367.489 4.783 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)NCCCc2ccc(F)cc2)s1 257173517 PLYIUOFQPYQZFF-UHFFFAOYSA-N 354.450 4.620 0 40 FJAB CNc1cncc([C@H]2CCCN2Cc2ccccc2-c2ccccc2OC)n1 257295139 QXDIESUTBMCXKD-OAQYLSRUSA-N 374.488 4.531 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccn(C4CCCC4)c3)N21 260786457 XEEOABPBRYGBPK-UXPWSPDFSA-N 366.534 4.978 0 40 FJAB O=C(O)c1cccc(NCc2ccccc2OCc2ccc(F)cc2)c1 408610073 NLMKVDZIKHPTGL-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1Cl 575610121 KNBCJDYGVDKYOH-GOSISDBHSA-N 357.862 4.532 0 40 FJAB FC(F)(F)c1ccc(Cl)c(C2(NCc3ccc4nonc4c3)CC2)c1 1170013565 IUQMHDGBUSPRDW-UHFFFAOYSA-N 367.758 4.674 0 40 FJAB O=C(c1ccc(F)cc1F)N1CCC(c2nc3ccccc3s2)CC1 1327616 DAYLCWFZMPAWST-UHFFFAOYSA-N 358.413 4.594 0 40 FJAB CCOc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 2207188 OGCPDUUKDOIAMW-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB CCOCCCn1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 2428570 WSRKVQHWYFHFKR-UHFFFAOYSA-N 366.852 4.727 0 40 FJAB COc1ccc(/C=C/C(=O)Oc2cccc(Cl)c2Cl)cc1OC 3281568 UKXLOSHTGVRNBH-VQHVLOKHSA-N 353.201 4.629 0 40 FJAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 4090357 QZOJTTLVECFDLE-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1c[nH]c2ccccc12 5324303 NNKUNJUGSGEXTK-NSHDSACASA-N 367.405 4.721 0 40 FJAB CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 5852919 RLQKVUSKNMLFFX-UHFFFAOYSA-N 359.882 4.919 0 40 FJAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 6040063 HGORAQOIIWZKDV-GFCCVEGCSA-N 350.528 4.517 0 40 FJAB Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)c(O)c(C)c3)C2=O)c1 6450623 DOGPYQVVDZNAFO-YVLHZVERSA-N 353.443 4.554 0 40 FJAB COc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1Cl 6804390 DJZUUWAJQPVFBQ-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nc(C)cs2)cc1 7195819 ZRJQWABPOXOWNX-UHFFFAOYSA-N 362.520 4.945 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Cl)cc2)c1 8092228 RKAIHPKCEXWRNH-UHFFFAOYSA-N 370.257 4.511 0 40 FJAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3CC(C)C)c1 8677153 GIDUUQQNNWXFDI-YQQQUEKLSA-N 359.583 4.631 0 40 FJAB CSc1cccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)c1 9346540 LUCUCCHPUQITGS-UHFFFAOYSA-N 361.426 4.864 0 40 FJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccccc1Cl 11865821 IHVSOMLTMBYHRY-INIZCTEOSA-N 360.866 4.615 0 40 FJAB CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(C)cc1 11903330 HWKWJCMCDBPSFM-LJQANCHMSA-N 363.486 4.961 0 40 FJAB COc1ccccc1-c1noc(CNc2ccc3c4c(cccc24)CC3)n1 12543067 JKNJQDDWOGTMBL-UHFFFAOYSA-N 357.413 4.609 0 40 FJAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 12767551 IFPAABXFFAVATO-HNNXBMFYSA-N 366.465 4.543 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 12790803 SYJHLEWHQQIBFY-UHFFFAOYSA-N 354.372 4.676 0 40 FJAB COc1ccc(C)cc1[C@H](C)NC(=O)c1nc(-c2ccco2)sc1C 12797607 RRGRJAOLAIEHDE-LBPRGKRZSA-N 356.447 4.520 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1 12798477 QXBWOSWSDCFJDU-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)o2)cs1 12929312 GGLURKWSZVYEQK-UHFFFAOYSA-N 366.364 4.660 0 40 FJAB COc1cc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC(C)C 13070651 ZCJQVFPJVBVXCG-WEVVVXLNSA-N 363.816 4.927 0 40 FJAB Cc1sc2nc(CSc3nc4ccccc4s3)[nH]c(=O)c2c1C 13637535 NEJYSCRVTKCDKC-UHFFFAOYSA-N 359.501 4.503 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2cccs2)n1 14138827 CYPZQMDLFMXWID-UHFFFAOYSA-N 362.907 4.726 0 40 FJAB CN(C)C[C@@H]1CCCC[C@H]1[C@@]1(O)c2ccccc2CSc2ccccc21 17185486 DYOKEZUEHYQWMK-GEQKSPFYSA-N 367.558 4.896 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NCCCOC2CCCCC2)c1 18168163 XVDKZSGWCUXGMD-UHFFFAOYSA-N 360.445 4.731 0 40 FJAB CC(=O)CCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 18465633 AXPMQKPVBYCXHS-UHFFFAOYSA-N 371.893 4.718 0 40 FJAB Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)c(C)c1 27027210 HJCJFFZLCZOTMW-UHFFFAOYSA-N 356.466 4.625 0 40 FJAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1OC(F)F 29137582 JGDYIMLFCGGIFL-ZDUSSCGKSA-N 358.388 4.579 0 40 FJAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 34410055 UHRMATMIZQHEIP-MTMZYOSNSA-N 374.521 4.670 0 40 FJAB Brc1cc(-c2ccccc2)ccc1OCC[C@H]1CCCNC1 42770527 QEZANUJYXLGNIE-OAHLLOKOSA-N 360.295 4.885 0 40 FJAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Br)cc2)o1 49549166 OZXGLSKGZBZFHX-GFCCVEGCSA-N 372.222 4.566 0 40 FJAB Cc1csc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 54680435 GFRYTAOQKAKLMI-UHFFFAOYSA-N 357.382 4.813 0 40 FJAB CC(C)Oc1ccc(CCNC(=O)c2cc(Cl)cc3cccnc23)cc1 59748482 WAWKAFQFWAUQSC-UHFFFAOYSA-N 368.864 4.648 0 40 FJAB COCc1c(C(=O)Nc2cc(Cl)ccc2N(C)C)oc2ccccc12 69247447 SUQRVWLWWOVBKB-UHFFFAOYSA-N 358.825 4.551 0 40 FJAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72214376 SXZCSQLPHYOERQ-CQSZACIVSA-N 363.458 4.501 0 40 FJAB CCCOC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 85398405 TVPYASCYNRKHAW-UHFFFAOYSA-N 359.223 4.559 0 40 FJAB Fc1ccc([C@@H](NCc2nc(-c3cccs3)no2)c2cccs2)cc1 89800301 WKCXRVXETRAMLM-QGZVFWFLSA-N 371.462 4.878 0 40 FJAB Cc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 95453539 FLFTVORRKHKVSR-FQEVSTJZSA-N 350.849 4.757 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1cccc(C)c1 216380461 KGHCOLSKDHTUNW-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB O=C(CSCc1ccccc1F)N1CCC(Cc2ccccc2)CC1 222699726 WJSVIPMXFOFAHJ-UHFFFAOYSA-N 357.494 4.540 0 40 FJAB CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C)cc1C 222725430 AQVWGOKWCHZFQL-JOCHJYFZSA-N 351.490 4.829 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc(OC)c(C)c1 222838300 XUVAWIUMQQHZEE-RBUKOAKNSA-N 355.478 4.737 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223718265 VSQUBPFYHCKQON-GOSISDBHSA-N 369.505 4.563 0 40 FJAB Cc1cccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1C 224291251 FUFZZOTVKDSHJU-UHFFFAOYSA-N 352.369 4.669 0 40 FJAB COc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3F)o2)cc1Cl 226765685 RMMZTGRLQYODMA-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408559647 AOIDKMSLYVEKEM-DQRAZIAOSA-N 366.486 4.603 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccccc1 408560532 DDBUYXIMSXQAEV-DQRAZIAOSA-N 350.487 4.848 0 40 FJAB O=C(Nc1ccccc1Sc1ccccc1)c1c[nH]c2ccccc2c1=O 408713263 QLKTVUDEYRBXCA-UHFFFAOYSA-N 372.449 4.932 0 40 FJAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C)n2)cc1 409386198 RHRZLCFAYWVOAV-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2ccc(Cl)cc21 1534149872 JZTRCNCUYBEXGO-HXUWFJFHSA-N 352.865 4.948 0 40 FJAB COc1cccc(C(=O)Oc2ccc3c(Br)cccc3c2)c1 683095 UXLBIPVFKVQPQA-UHFFFAOYSA-N 357.203 4.830 0 40 FJAB Cc1ccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C 1336932 ZJASYYXRPVQLHW-UHFFFAOYSA-N 370.493 4.734 0 40 FJAB CC1(C)C[C@H]([C@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 2250220 GWHQVUJDGHPJKS-QZTJIDSGSA-N 357.519 4.857 0 40 FJAB CCOc1ccc(-c2csc(NC(=O)C(C)(C)C)c2C(=O)OC)cc1 2889615 XLOINXBEPQEMSZ-UHFFFAOYSA-N 361.463 4.585 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3Cl)n2N)cc1 3220143 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CCc1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1 8200342 PHVFCBRSIJJWQZ-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 8562668 VHEXDDJFSQBVGQ-MRXNPFEDSA-N 374.440 4.718 0 40 FJAB CC[C@@H](C)NC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854293 ZBOGVADKWPKXLP-LLVKDONJSA-N 354.928 4.546 0 40 FJAB Cc1sc(-c2ccccc2F)nc1C(=O)Nc1ccc2cc[nH]c2c1 11691887 RRSBGNWJFRTBOV-UHFFFAOYSA-N 351.406 4.991 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)s1 12543861 PMDYIFGIYVLRLL-UHFFFAOYSA-N 365.296 4.753 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c(F)c1 12879052 RWVAJSXAHVWBSO-UHFFFAOYSA-N 361.376 4.898 0 40 FJAB c1coc(-c2cc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)no2)c1 12912244 HQRGGSGPGVRJQI-CQSZACIVSA-N 365.458 4.924 0 40 FJAB CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC(CO)CO 13540281 IEPGNWMPIFDNSD-IXWMQOLASA-N 354.531 4.696 0 40 FJAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Oc2ccccc2)cc1 14241922 ZECVTCUWCZDQCQ-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NCc2ccco2)c1Cl 14258538 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4.572 0 40 FJAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1 33695503 YDENSSLYUCVMIT-AUWJEWJLSA-N 351.786 4.617 0 40 FJAB COc1ccc(-c2nn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc3c2C)cc1 40216873 YUSDHRSEXKWHHT-GJZGRUSLSA-N 364.493 4.504 0 40 FJAB CC(C)c1nccn1Cc1cccc(NC(=O)c2c(F)cccc2F)c1 58224703 OCXJHBAJABMMOV-UHFFFAOYSA-N 355.388 4.585 0 40 FJAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OC1CCCC1)CC(O)=N2 61720002 OYTNCHYVLIRLDZ-CYBMUJFWSA-N 373.478 4.638 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C 65539169 YNPZDKNRXIIUOK-MOPGFXCFSA-N 352.478 4.633 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc2c(s1)CCC2 65852862 LJCIOYCYQMXKSV-UHFFFAOYSA-N 361.879 4.661 0 40 FJAB O=C(NC1CCCCCCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 84600305 YJYWCIJDQJYTJX-MRXNPFEDSA-N 355.482 4.830 0 40 FJAB Cn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(Cl)ccc21 100815618 UIWDKFPXMPMSEY-CYVLTUHYSA-N 371.676 4.941 0 40 FJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccsc4)=NN32)cc1 107073265 OGJPUMGGXBKFIW-TZIWHRDSSA-N 362.454 4.999 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1C 224256119 MLYYNAWKHPAEFU-RTBURBONSA-N 365.527 4.937 0 40 FJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C 225513503 UIVDASBHOSKWAO-DEOSSOPVSA-N 359.469 4.760 0 40 FJAB O=C(NCc1ccnc(-c2cccnc2)c1)c1ccc(-c2ccsc2)cc1 225639974 GGIIZEDRGSPPEK-UHFFFAOYSA-N 371.465 4.802 0 40 FJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@H](C)CCc2ccccc2)n1 225918655 KUAPREVKBQIADW-MRXNPFEDSA-N 374.488 4.588 0 40 FJAB CCCCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1CC 408560059 BRQBBBUMAXGZNS-UHFFFAOYSA-N 368.506 4.525 0 40 FJAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cccs1 408713068 JBVOHRPLARQBLM-UHFFFAOYSA-N 370.499 4.841 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(SC)cc3)S2)cc1 408787312 XFMDUQGJZYMLPY-GTVARFKMSA-N 356.516 4.571 0 40 FJAB CC1(C)CC[C@@H](c2noc(-c3nnc(O)c4ccccc34)n2)c2ccccc21 581479484 DCJNTQYSAYTNTN-OAHLLOKOSA-N 372.428 4.589 0 40 FJAB CSCC1(Cc2noc([C@@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)CC1 596612041 PPNBZSPNALJBCL-ZBFHGGJFSA-N 364.898 4.654 0 40 FJAB CC(C)(NC(=O)CC1CCC(F)(F)CC1)c1nc2ccccc2s1 628530749 MHTCFZKRQSMNPD-UHFFFAOYSA-N 352.450 4.863 0 40 FJAB C[C@H](Cc1cccc(Br)c1)NCc1cnc2ccccc2c1 727468187 IGYGLTKSDMOBHH-CQSZACIVSA-N 355.279 4.718 0 40 FJAB Cc1ccccc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 1528557106 CJTMVIZHUVPCGR-FQEVSTJZSA-N 372.459 4.619 0 40 FJAB O=C(Cn1cnc2ccccc21)N[C@H](CC1CCCCC1)c1ccccc1 1631999565 OLAGTEKEEWUQNZ-OAQYLSRUSA-N 361.489 4.864 0 40 FJAB CC(C)Cc1csc2nc(-c3ccc(Br)cc3)oc(=O)c12 999192 IIPPEGXHDHESBE-UHFFFAOYSA-N 364.264 4.878 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c(F)cccc1F 1518402 QSGOKCVXELZZBI-UHFFFAOYSA-N 350.777 4.994 0 40 FJAB O[C@H](c1ccccc1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 1584485 MFMTVBIVRHGAJC-XMMPIXPASA-N 357.497 4.954 0 40 FJAB Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)N3N=NNC3=N2)cc1 2232765 LFZAXLWMDJBCGA-OAHLLOKOSA-N 362.195 4.772 0 40 FJAB Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 2254974 QDMSKAFHAXRKRR-FQEVSTJZSA-N 369.511 4.585 0 40 FJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 2274344 LUHNIWUPVMFEOD-AWEZNQCLSA-N 372.515 4.516 0 40 FJAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1Cl 2453592 SCWSIIXAQGOYJY-UHFFFAOYSA-N 357.866 4.593 0 40 FJAB Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 2624121 OFLXRUOGYVILFN-IBGZPJMESA-N 363.486 4.847 0 40 FJAB O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1ccc(Cl)cc1 3097707 BYLMXAHAMMXLMP-UHFFFAOYSA-N 374.827 4.661 0 40 FJAB COc1cccc(CSc2nnc(Nc3ccccc3OC)s2)c1 3398921 PEEXRVUIUZKDNR-UHFFFAOYSA-N 359.476 4.591 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 3648852 LMJAUHNHEGADRV-UHFFFAOYSA-N 368.436 4.819 0 40 FJAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4002588 HNWACTIJHBADNN-UHFFFAOYSA-N 370.239 4.747 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 4069936 DXYJFSCKJAAAOO-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CC(C)Sc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 4086651 UYAJSKUCQMTONW-UHFFFAOYSA-N 355.488 4.958 0 40 FJAB Cc1cc2c(SCC(=O)Nc3cccc(Cl)c3C)ncnc2s1 5017208 FQZIQKZRUPKYCA-UHFFFAOYSA-N 363.895 4.692 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2ccccc2oc1=O 5948930 GASUFXPLHZSCDA-UHFFFAOYSA-N 353.377 4.617 0 40 FJAB CC(=O)N(C)c1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 6295929 AYWIUQULCNSARK-UHFFFAOYSA-N 368.289 4.785 0 40 FJAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1nc2ccccc2[nH]1 6668258 GLHPKFCLPPFLAS-LLVKDONJSA-N 369.881 4.865 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2c3ccccc3C[C@H]2C)o1 7114921 HAVUAZPOTIXMLD-CQSZACIVSA-N 372.428 4.651 0 40 FJAB CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(C)cc2[nH]1 7343034 BVSBZNDUFXTYJK-UHFFFAOYSA-N 353.491 4.727 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1nc2ccccc2s1 7808648 ICLQKWPQZMAGJT-UHFFFAOYSA-N 357.485 4.663 0 40 FJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 7929328 CRYUNDZVPJTPEJ-KRWDZBQOSA-N 365.473 4.641 0 40 FJAB C=C1S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 8344811 AFZOFIWSYGTRCN-MRXNPFEDSA-N 350.365 4.836 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11479418 BHEYPECABCUTCS-UHFFFAOYSA-N 369.827 4.714 0 40 FJAB CN(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)C1CCCCC1 11565812 IROUDHRFOWCKLB-UHFFFAOYSA-N 354.233 4.505 0 40 FJAB CC(C)Cc1cc(-c2nnc3sc(-c4cccc5ccccc45)nn23)n[nH]1 12323042 AQGGBSMTLQGYJO-UHFFFAOYSA-N 374.473 4.595 0 40 FJAB CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CCCC2)cc1 12437799 FNOMVYFIMUXRCZ-UHFFFAOYSA-N 360.457 4.637 0 40 FJAB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(Cl)c1OC 12808690 CKMCMNURAFPSNX-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB COc1cccc(-c2nc(-c3ccc(NC(C)=O)cc3F)cs2)c1OC 12896287 OTIYTDQTZYODJY-UHFFFAOYSA-N 372.421 4.592 0 40 FJAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccc2ncccc12 15760327 MTTRWDDIMJZPFV-UHFFFAOYSA-N 363.417 4.679 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)cc1C 16003413 FSSZLYFHJMYESM-UHFFFAOYSA-N 358.246 4.792 0 40 FJAB CCCCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(F)cc1 17270337 LUHOECMXCJMMFY-UHFFFAOYSA-N 361.424 4.893 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2noc(-c3ccccc3)n2)c1 21800439 ZRHWBZSPTNXACW-OAHLLOKOSA-N 365.433 4.574 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)c3c(C)nsc3NC)ccc21 27759109 NNKXSUCZIZEHPU-UHFFFAOYSA-N 364.474 4.873 0 40 FJAB COc1ccccc1OCc1ccc(C(=O)Nc2cc(C)ccc2F)o1 28238106 ZMMXAOUXRLZCCR-UHFFFAOYSA-N 355.365 4.567 0 40 FJAB CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 30835993 BGBAUOYPBIRVPS-UHFFFAOYSA-N 366.269 4.972 0 40 FJAB O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1cccc(Cl)c1Cl 40097527 FLTNSWRZCJRMAY-CYBMUJFWSA-N 359.640 4.502 0 40 FJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 44846766 UVGNCHIHLBNDGL-IBGZPJMESA-N 371.546 4.737 0 40 FJAB COCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cc1 54235549 FMFGHGSDWPYPFN-UHFFFAOYSA-N 371.440 4.639 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1Cl)C3 54278204 OWDNJHVFCUWKPP-UHFFFAOYSA-N 369.848 4.724 0 40 FJAB biogenic Cc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)c(C)c1 61997147 OSVWYTGKOLMLDK-UHFFFAOYSA-N 350.418 4.998 0 40 FJAB Cc1nc(-c2cccc(NC(=O)N(CC3CCCCC3)C3CC3)c2)no1 64544518 RLYCBDHLXOULLR-UHFFFAOYSA-N 354.454 4.622 0 40 FJAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1cc(-c2ccco2)on1 65523703 REEOLKLJPLDOQE-UHFFFAOYSA-N 351.406 4.932 0 40 FJAB Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1Cl 84183061 KMIVEDSAKSESLX-KGLIPLIRSA-N 368.786 4.914 0 40 FJAB CCC[C@H](C)C(=O)NCc1ccc(Cl)c(NC(=O)[C@H](C)CCC)c1 95432185 HSCOLEOFMSCSIO-UONOGXRCSA-N 352.906 4.767 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccc1Cl 96231679 NVKDMONWQATGGY-SFHVURJKSA-N 354.837 4.637 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 96586401 AWQCXONTNAMHRY-ZDUSSCGKSA-N 359.853 4.633 0 40 FJAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccccc1F 106697326 IGNSRZNUURVROH-NVNXTCNLSA-N 365.788 4.855 0 40 FJAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 119420798 KTDCVTGLYJBIFI-XKMUXQCMSA-N 358.522 4.920 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@@H]1c1ccsc1 217636128 KCBIEPOYSFABJC-OAHLLOKOSA-N 367.923 4.833 0 40 FJAB C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)CCC2 223152814 IDWZMWPVYHXBSH-CQSZACIVSA-N 359.922 4.939 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)C 223790975 SEJHFIAAQPLTNR-FQEVSTJZSA-N 369.505 4.779 0 40 FJAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)C1 223957834 HOJNKTXBTJJAMJ-IXDOHACOSA-N 368.550 4.612 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccccc2C)c2ccccc2O1 224323571 MTGWHZNRRBAKFE-MJGOQNOKSA-N 367.489 4.961 0 40 FJAB O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1F 225352344 JTTDKXYRLXHMEC-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB Cc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574358 PJSJCVWTFAIVKQ-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1 225679672 VUSPRFKMMACCRW-UHFFFAOYSA-N 350.462 4.618 0 40 FJAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c2cccnc12 225901951 AJYWSDMALOZREH-UHFFFAOYSA-N 370.493 4.948 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1 408625562 DWOQRMNUVSDICK-UHFFFAOYSA-N 369.515 4.602 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)cc(Cl)c1 408679036 HTCIXAYNJIDJFX-CQSZACIVSA-N 354.233 4.798 0 40 FJAB O=C(NCCOc1cccc2cccnc12)Nc1cccc2ccccc12 408718654 PYILACBIEXKNQV-UHFFFAOYSA-N 357.413 4.589 0 40 FJAB CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccccc3)N12 408994028 YCBNRIXSWZWCDZ-IBGZPJMESA-N 361.470 4.920 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1F)N2 408994494 HVAZXJPBUOWOOM-BVYCBKJFSA-N 359.400 4.995 0 40 FJAB COc1ccc(-c2ccc(C(=O)O)c(CC3CCCC3)n2)c(OC(C)C)c1 585264973 CSEGQAFVCQJIBA-UHFFFAOYSA-N 369.461 4.975 0 40 FJAB CCn1c(NC(=O)[C@@H](C)c2c(Cl)cccc2Cl)nc2cccnc21 647086546 YCPPFLYDBFJIEX-JTQLQIEISA-N 363.248 4.500 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CC2CCCC2)N1c1cccc(F)c1 1615158648 RKGHCGDKAHQIPZ-PMACEKPBSA-N 358.501 4.754 0 40 FJAB CCOc1cc(NC(=O)Nc2cc(OC)c3ccccc3c2)ccc1OC 1667998487 NQQSAOMBKWNMSL-UHFFFAOYSA-N 366.417 4.900 0 40 FJAB CC(C)CC[C@@]1(CCN2C(=O)c3ccccc3C2=O)CCO[C@H](C(C)C)C1 2110961 NEILMZQSPHYQKI-NZQKXSOJSA-N 371.521 4.930 0 40 FJAB biogenic COc1cc2c3c(c1)[C@@]1(Nc4ccccc4S1)C(=O)N3C(C)(C)C=C2C 2329753 BHDONONVKHJEAS-NRFANRHFSA-N 364.470 4.608 0 40 FJAB CCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2399987 JUNMGKVIZRYYJB-UHFFFAOYSA-N 374.444 4.503 0 40 FJAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C 2426547 KVOBRHANWSLLAQ-UHFFFAOYSA-N 364.474 4.863 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)c1ccccc1Br 3258162 NZPPAFRYZGXBDF-UHFFFAOYSA-N 359.267 4.692 0 40 FJAB COc1cc2[nH]c(=S)nc(NCc3ccccc3Cl)c2cc1OC 4918908 POTWLXDKRZAGFR-UHFFFAOYSA-N 361.854 4.575 0 40 FJAB CC1CCN(C(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 5146468 OSCHJUHLFBFDLA-UHFFFAOYSA-N 373.909 4.517 0 40 FJAB CC(C)c1ccc(OCC(=O)NCCOc2cccc3ccccc23)cc1 5644698 HCDIIACZRUYAEI-UHFFFAOYSA-N 363.457 4.537 0 40 FJAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc1 6335429 DSXMGAUFOLFSTO-UHFFFAOYSA-N 369.852 4.749 0 40 FJAB O=C(CCCOc1ccc(Br)cc1)Nc1ccc(F)cc1F 6376447 KBKPNICWNKSPDW-UHFFFAOYSA-N 370.193 4.525 0 40 FJAB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2Cl)=NC1=O 6856136 LTDDOHVVLNBYKY-SFQUDFHCSA-N 370.861 4.987 0 40 FJAB Clc1ccc(-c2cnc(CSc3nnc(-c4ccco4)o3)o2)cc1 7136287 WLYMUQTUWWKZOS-UHFFFAOYSA-N 359.794 4.930 0 40 FJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1C1CC1 7193059 RHKPQWYWJFHREF-UHFFFAOYSA-N 371.437 4.604 0 40 FJAB COc1ccc(/C=C(\SCC(=O)O)c2nc3ccccc3s2)cc1 7911816 SNKCGSIUEGIJMI-YBEGLDIGSA-N 357.456 4.621 0 40 FJAB CCc1ccc(N2C[C@H](C(=O)Oc3ccccc3[C@@H](C)CC)CC2=O)cc1 7929123 CKZREKVUAVNJHF-FUHWJXTLSA-N 365.473 4.721 0 40 FJAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)O2 11866498 QJPBFTPUIARFPI-HNNXBMFYSA-N 354.789 4.770 0 40 FJAB c1cnc(OC2CCCCC2)c(-c2noc(CN3CCCCCCC3)n2)c1 12365430 XTVHCWJHMWGGMY-UHFFFAOYSA-N 370.497 4.609 0 40 FJAB O=C(c1ccc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12998561 CCMNYVQUTRIYLN-GFCCVEGCSA-N 358.413 4.594 0 40 FJAB CCc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1 13097942 FANPZAWLKBCBCF-UHFFFAOYSA-N 372.925 4.913 0 40 FJAB Cc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)c(C)c1 13547280 KOLRDLPBCJNEFS-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c(C)c1 14076221 QZSCJLDVZIRQCC-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB CC(C)c1ccc(C(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1 16973307 KPFAQCDRYZIGMD-UHFFFAOYSA-N 363.456 4.534 0 40 FJAB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1C 17053205 YVZDZTKUGCGYCR-UHFFFAOYSA-N 374.412 4.967 0 40 FJAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Cl)cc1 20138240 KPYGMTVRQAYVPR-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB O=C(Nc1cccc2ccccc12)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 31662916 DSRAAJYUVQIRHV-HUUCEWRRSA-N 366.383 4.851 0 40 FJAB CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1OC 32115312 YLNDUEVUBRNKHW-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB Cc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)oc2ccccc12 32988439 GWKDOSTWBXFJBJ-UHFFFAOYSA-N 369.490 4.682 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1OC 38771413 PIWNZAOKEBTDTF-LBPRGKRZSA-N 363.504 4.545 0 40 FJAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38833133 SWFXAWZOPBULHB-CQSZACIVSA-N 363.288 4.844 0 40 FJAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38856214 QNFDNAPVAVCKIE-HXUWFJFHSA-N 368.496 4.801 0 40 FJAB COc1ccc(-c2nc(CN3CCC[C@@H]3CCc3ccccc3)co2)cc1 48303753 IHQXABAQNWDXNK-OAQYLSRUSA-N 362.473 4.947 0 40 FJAB C[C@@H](Sc1nncn1C1CC1)c1cccc(NC(=O)c2ccccc2)c1 53675272 MIAJBKIWXKTKJU-CQSZACIVSA-N 364.474 4.719 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccsc2)cc1Cl 55689259 VFUMYBYAUZKBEK-GFCCVEGCSA-N 362.882 4.668 0 40 FJAB COC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C)cc1 62715883 OPWZMMWKBHVUGC-JXMROGBWSA-N 361.235 4.523 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)N2CCC(Cc3cccc(F)c3)CC2)s1 65527636 NVYLDOKIYIHDOS-OAHLLOKOSA-N 360.498 4.921 0 40 FJAB Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 72348857 RAOADBSCKCUAAH-FQEVSTJZSA-N 361.464 4.586 0 40 FJAB CNc1ncccc1CN1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 72358219 LRJMSFYMMJDXQZ-HSZRJFAPSA-N 372.516 4.755 0 40 FJAB O=C(NNc1ccc(F)cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 74176599 SXRINNVTUHFAOS-CVEARBPZSA-N 367.449 4.629 0 40 FJAB C[C@H](SCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccccc1F 84660745 VRVFASXNEKXJFO-NSHDSACASA-N 354.406 4.803 0 40 FJAB CSc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1 85472451 AKEUDPRBPHQPIK-UHFFFAOYSA-N 361.532 4.787 0 40 FJAB c1ccc(C(OCCN2CCN(c3ccccc3)CC2)c2ccccc2)cc1 90751736 HOSRAJVFYIYMHX-UHFFFAOYSA-N 372.512 4.615 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC(OCc3ccccc3)CC1)C2 102148640 YEKBJFCDMWHIBN-NOXFTYBFSA-N 370.537 4.592 0 40 FJAB Cc1cccc(C)c1N(Cc1c(Cl)cccc1Cl)S(C)(=O)=O 107537543 CJUNTHPAXAEXHF-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C=O)c2ccccc21 216890059 IUXVCLRJGNHDOV-LLVKDONJSA-N 362.212 4.868 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219592425 JFTXAQKUXVELOW-MOPGFXCFSA-N 353.462 4.571 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)s2)cc1 223926342 XQFFNHRKIQDREX-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB Cc1cccc(CCCNC(=O)c2cc(Br)ccc2Cl)c1 225073348 RKRKPNOACGUGJV-UHFFFAOYSA-N 366.686 4.774 0 40 FJAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 225181504 ZXRRZXBXVQRDCL-GOSISDBHSA-N 353.462 4.734 0 40 FJAB CCOc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225429795 XKDIAMBWUCBGBN-UHFFFAOYSA-N 354.397 4.591 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC[C@@H]1C 226330291 FJZOWCPPHSSXAB-AWEZNQCLSA-N 357.885 4.862 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCCn2cccc2)c2ccccc12 524735558 JPTWDVAMDSFEQV-OAQYLSRUSA-N 362.473 4.794 0 40 FJAB CC(=O)N1CCCCCCN(C(=O)c2ccccc2C)Cc2ccccc21 643589710 ZUDYDGHGGHAESH-UHFFFAOYSA-N 364.489 4.564 0 40 FJAB O=C(Nc1ccc(-c2ccccc2)nn1)C1(c2ccc(F)cc2)CCCC1 1540055470 MYUASLSPZVPOKC-UHFFFAOYSA-N 361.420 4.733 0 40 FJAB O=C(Nc1nc(-c2ccccc2)cs1)OCC(Cl)(Cl)Cl 537941 SMQXDOVGKKMUIZ-UHFFFAOYSA-N 351.642 4.729 0 40 FJAB in-man CCSc1nnc(CNc2ccc(C)cc2)n1-c1cccc(Cl)c1 917445 MXGMKKKQKQCNPU-UHFFFAOYSA-N 358.898 4.953 0 40 FJAB O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1cccc(Cl)c1 1106337 JKJNHOWEQUCGJI-UHFFFAOYSA-N 357.866 4.866 0 40 FJAB CCOC(=O)c1c(C)n(-c2ccc(OCC)cc2)c2ccc(OC)cc12 1291542 ZZEINYVJHNSPSL-UHFFFAOYSA-N 353.418 4.523 0 40 FJAB biogenic O=c1c2cc(Cl)ccc2[nH]c(=S)n1CCc1ccc(Cl)cc1 3043411 LUYJKQJYCICKEQ-UHFFFAOYSA-N 351.258 4.609 0 40 FJAB c1csc(-c2nc(Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1 3325573 JVWHOPXCVAMOAB-UHFFFAOYSA-N 361.426 4.873 0 40 FJAB COc1cccc(NC(=O)[C@@H](NCC2CCCCC2)c2ccccc2)c1 3332937 FWOGFHIPUNTMEB-NRFANRHFSA-N 352.478 4.545 0 40 FJAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)Nc3ccccc3)c2n1 3765450 SNSVEUPTCGADDY-UHFFFAOYSA-N 358.445 4.628 0 40 FJAB O=C(Nc1c(Cl)cccc1Cl)c1noc2c1CCc1ccccc1-2 3909429 UFVOFJWIVOLFDC-UHFFFAOYSA-N 359.212 4.999 0 40 FJAB CC(C)c1ccc(-n2nnnc2SCc2nc3ccccc3s2)cc1 5217419 GKDGHFOXCPVUNH-UHFFFAOYSA-N 367.503 4.688 0 40 FJAB CN(C)C(=O)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 6842014 CVYVKKKHNUQEMD-OAHLLOKOSA-N 362.907 4.871 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 7725491 NNBWWZHKDJCFCZ-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CCOc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1 7918383 CMWJJOPUGZCGCC-UHFFFAOYSA-N 368.458 4.682 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(C)cc1 8479114 AYUGDWKKWIDFEM-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccco4)nnc3s2)cc1 9054047 QUQDYVHHLIUZDL-CYBMUJFWSA-N 352.463 4.796 0 40 FJAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 9909517 ICNGRBKPTJMUDW-UHFFFAOYSA-N 369.873 4.905 0 40 FJAB O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(Cl)c(Cl)c1 10464379 LGUKVEJQKYMDLJ-UHFFFAOYSA-N 361.232 4.501 0 40 FJAB O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1ccc(Br)o1 11858645 XUPSIZOKZFPLSB-OWOJBTEDSA-N 370.202 4.827 0 40 FJAB Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)c2cccnc12 12739081 RJLLAQDLGIQTQN-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc12 12758938 AXKZCKAWEGGPAK-HZPDHXFCSA-N 359.539 4.715 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc(C3CC3)nc21 12789765 ZAQPVTCMZHGBPG-RDJZCZTQSA-N 366.509 4.542 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1coc(-c2ccccc2)n1 12868452 DVRDNMAYGJSMCZ-UHFFFAOYSA-N 371.820 4.896 0 40 FJAB C[C@@H]1CCN(C(=O)CN[C@H](C)c2ccc(Cl)cc2)c2ccccc2S1 13040190 ZCGIWGLKICHLQU-HUUCEWRRSA-N 374.937 4.908 0 40 FJAB CCNc1nnc(SCCOC(c2ccccc2)c2ccccc2)s1 14112907 MIVMJIUGEFLMEX-UHFFFAOYSA-N 371.531 4.868 0 40 FJAB Cc1ccc2nc(NC(=O)c3sc(-c4ccccn4)nc3C)sc2c1 14139051 UMDBTUAUQOCMBD-UHFFFAOYSA-N 366.471 4.684 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c2cccnc12 15840778 TYSQYQHYMAHEBU-UHFFFAOYSA-N 350.418 4.673 0 40 FJAB COc1cccc(Cc2ccc([C@H]3CCCN3C(=O)C3CCCC3)nc2)c1 19687932 IQBSFMAJSFXKBS-JOCHJYFZSA-N 364.489 4.535 0 40 FJAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1Cl 20486047 GKCABKCTEJEBFU-UHFFFAOYSA-N 354.302 4.885 0 40 FJAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccccn1 29138744 ADEIGPFMLPCYQM-UHFFFAOYSA-N 356.784 4.705 0 40 FJAB Cc1cc(C)cc(OCC(=O)OCc2cc3ccc(C)cc3nc2Cl)c1 32910179 AWXHXNFJHKOGNA-UHFFFAOYSA-N 369.848 4.936 0 40 FJAB Cc1ccccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 35078137 ULZDIYIXKHZYMS-UHFFFAOYSA-N 354.409 4.736 0 40 FJAB Cc1cccc(C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 36726709 KNCFMWMKJDTVOU-NRFANRHFSA-N 372.468 4.803 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1C 36730013 PSSJOBVOBVTMDF-UHFFFAOYSA-N 350.418 4.740 0 40 FJAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38833129 IMAKLADTCYLRQC-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB O=C1C(O)=C(c2ccc(F)cc2)[C@H](c2ccccc2)N1Cc1ccccc1 40485795 HJIWNLKTARJLST-NRFANRHFSA-N 359.400 4.879 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(c2ccccn2)C1 47411180 GDBXLWUAJHWGLB-SFHVURJKSA-N 373.456 4.729 0 40 FJAB CC(=O)c1oc2ccccc2c1NC(=O)CN[C@@H](c1ccccc1)C(C)C 57335974 LUWWMTIBKCXSNZ-HXUWFJFHSA-N 364.445 4.561 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccccc3Cl)o2)cs1 58368970 YVEPGXDHEBXBKQ-GJZGRUSLSA-N 372.877 4.785 0 40 FJAB Cc1nc2ccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)cc2o1 71797884 SJLHHBQQICEGQI-UHFFFAOYSA-N 358.397 4.891 0 40 FJAB COCc1c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)sc2cccc(F)c12 72296959 PIESROBNAILTCG-BFHYXJOUSA-N 361.482 4.885 0 40 FJAB Cc1nc(-c2cccs2)sc1CNC(=O)Nc1ccc(F)cc1F 90592808 RLKHVXXONIQQKV-UHFFFAOYSA-N 365.430 4.780 0 40 FJAB Fc1ccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3ncnc3N2)cc1 101157691 IDMWKBXIDROAQT-OAHLLOKOSA-N 361.207 4.780 0 40 FJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nnc(SCc2ccccc2)s1 104211649 HYWMAECSKLVELK-KKUMJFAQSA-N 359.520 4.595 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222781719 YPHHVOIKWGTIAC-UHFFFAOYSA-N 353.849 4.969 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222949026 PYPIRZIVPZGEOE-CABCVRRESA-N 351.928 4.569 0 40 FJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223011311 IGMDSCYUPQQEFJ-FQEVSTJZSA-N 357.881 4.865 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc2c(c1)CCCC2 223105473 BEASLJVHPYJZDH-OXJNMPFZSA-N 367.489 4.609 0 40 FJAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(Cl)cc1 224336282 KEKBLHPUAGHXRM-UHFFFAOYSA-N 371.799 4.931 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(Cl)cc1 225168806 CEEMATDOFISSPI-OAHLLOKOSA-N 357.881 4.645 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1C 225661972 QPGPHGSNYFAARR-UHFFFAOYSA-N 369.461 4.864 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 225759819 DPRXHGLCWCGFRT-UHFFFAOYSA-N 364.489 4.667 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(OC)c(C)c1 225829398 FZICBKKTQMKNQS-RBUKOAKNSA-N 359.441 4.568 0 40 FJAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CC1 225941141 AOURRFFMPSAGIW-UHFFFAOYSA-N 359.878 4.505 0 40 FJAB Fc1ccc(COc2ccc(C(=S)NCCc3ccccc3)cc2)cc1 408577606 TZVWJXIHAVRVGZ-UHFFFAOYSA-N 365.473 4.913 0 40 FJAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 408600928 HHMUMPXVKFJZGT-LDADJPATSA-N 371.433 4.851 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408705292 BMQIUKYTTHCYGL-SFHVURJKSA-N 363.432 4.822 0 40 FJAB CN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 409312965 AAITWXHASAJJQV-MHWRWJLKSA-N 359.834 4.585 0 40 FJAB C[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(-c2ccc(F)cc2)cc1 684278061 DHQSAFAJUVJKHR-AOMKIAJQSA-N 370.468 4.500 0 40 FJAB CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 1191822258 XICBOITYGWMGCD-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2cc3c(C)nn(C)c3s2)cc1 1269820712 VHVBVXIQUHMECT-NVXWUHKLSA-N 354.475 4.745 0 40 FJAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)no2)cc1 1775977084 VZLGEFYTDQUNAY-DGCLKSJQSA-N 366.248 4.575 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)c(Cl)c1 2644952 WRXZBOIWXYXMHZ-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB Cc1cccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1O 3300700 HBNCECTZTMNGFR-UHFFFAOYSA-N 369.461 4.743 0 40 FJAB COc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1OC 3382604 MWOLVKOUAOOCQL-UHFFFAOYSA-N 353.443 4.588 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)c2oc3ccc(Cl)cc3c2[nH]c1=O 3646851 FDADTQJNPRLJGY-UHFFFAOYSA-N 367.788 4.771 0 40 FJAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1 4164813 VQOMPVVMDJOIFM-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)c1 4479493 DYHFLUYLCMEARU-UHFFFAOYSA-N 361.323 4.625 0 40 FJAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1 4936865 XVXYTQPHOLWPPY-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 5384479 PJHMJSABCCNIEM-UHFFFAOYSA-N 352.217 4.811 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 6629540 CLHSYPWSXLIMSR-LICLKQGHSA-N 358.438 4.680 0 40 FJAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccc(Cl)cc1 7618783 JGARFDFKXNEFHP-UHFFFAOYSA-N 371.845 4.812 0 40 FJAB CN(C(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCCc2ccccc21 7989373 FBOBOZTUCNVVFC-INIZCTEOSA-N 355.438 4.977 0 40 FJAB Cc1ccc(CSc2nc(CC(=O)NC3CCCCC3)cs2)cc1 8936181 XEAKIBCBUPWIGS-UHFFFAOYSA-N 360.548 4.735 0 40 FJAB CN(C(=O)NCCCCOc1ccccc1)[C@H]1CCCc2ccccc21 9460106 STVKJXKMLLKPLU-NRFANRHFSA-N 352.478 4.565 0 40 FJAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 12533241 OGTBZLVRUQFBDO-IBGZPJMESA-N 368.484 4.844 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 12733441 XHUCGWZFVJKMSR-UHFFFAOYSA-N 361.873 4.506 0 40 FJAB COc1ccc(CN2CN=C(c3ccccc3)N(c3ccc(C)cc3)C2)cc1 19960618 PXTJRWQWTLXULP-UHFFFAOYSA-N 371.484 4.688 0 40 FJAB C[C@@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@@H](O)c1ccccc1 22107491 OKUWGZIGRPNPRP-ZUOKHONESA-N 359.828 4.951 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccccc1OC(F)F 36394764 AGOBJJNYTFGFEX-ZDUSSCGKSA-N 374.387 4.666 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 38756773 GIPRSBZYBZNZPM-YLJYHZDGSA-N 355.478 4.675 0 40 FJAB CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 39538674 YXSMGRMQFSUCLM-UHFFFAOYSA-N 356.422 4.774 0 40 FJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CCc1nnc(-c2ccsc2)o1 58617909 KJAFSQJOLGEFLJ-NUEKZKHPSA-N 362.495 4.735 0 40 FJAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)C3CCCC3)n2)c1 72358007 IHKHHGCQJPQJBB-JOCHJYFZSA-N 364.489 4.535 0 40 FJAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)c3ccccc3)n2)s1 72375134 XOVWGKBKWIJVCX-QGZVFWFLSA-N 364.474 4.567 0 40 FJAB Cc1ccc2cc(C(=O)N[C@H]3CCSc4c(F)cccc43)c(C)nc2c1 84210002 BLSYCYXZAJFKRX-SFHVURJKSA-N 366.461 4.958 0 40 FJAB C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(F)cc(C(F)(F)F)c1 93889569 UFGCVWOJVJAZIE-YDBLSZJJSA-N 373.415 4.775 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)C[C@@H](c2ccco2)C1 102660518 ITEVQBJIMWIIPU-KZULUSFZSA-N 366.808 4.590 0 40 FJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nnc(SCc2ccccc2)s1 104211651 HYWMAECSKLVELK-SOUVJXGZSA-N 359.520 4.595 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 222866307 VTHYPECEYLIQRN-RBUKOAKNSA-N 353.462 4.571 0 40 FJAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccccn1 224000014 DYMHHXYKFIIFES-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224080702 RNLCDORCSDESFB-GOSISDBHSA-N 369.505 4.563 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1Cl 224474925 ANLJAQOKUKDTAY-UHFFFAOYSA-N 373.880 4.990 0 40 FJAB S=C(Nc1ccc(Oc2ccccc2)nn1)NC1CCCCCCC1 225188989 VCFIEGWEQSSMKH-UHFFFAOYSA-N 356.495 4.668 0 40 FJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225677344 FMKHFVVJELECGA-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1c(ccc3ccccc13)O2 225824222 YHBKMAXUQLEZNF-UHFFFAOYSA-N 367.445 4.575 0 40 FJAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c2cccnc12 225901199 ZWZRTVJVOXHFHQ-KSFYIVLOSA-N 370.493 4.948 0 40 FJAB CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1 226332729 PSOFGDKGARFKCY-DHZHZOJOSA-N 361.235 4.604 0 40 FJAB Cc1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)cc1C 408529891 IFJGXTUBPIXONP-UHFFFAOYSA-N 370.452 4.857 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 408680632 OKMGRVMYHDIEFI-HXUWFJFHSA-N 369.461 4.748 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2ccsc2)C1 626624120 WCATUHMRMHHKBE-CQSZACIVSA-N 374.359 4.511 0 40 FJAB COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1cnc(C)o1)CCO2 628181346 ZZAYNCOREDRDKC-NRFANRHFSA-N 364.445 4.518 0 40 FJAB O=C(c1ccsc1)N1CCS[C@@H]1c1ccc(F)c(Br)c1 1775965834 LLYXXXGKJOOEPT-CQSZACIVSA-N 372.284 4.538 0 40 FJAB CCCC(=O)N[C@H](c1ccccc1)c1c(OC(C)=O)ccc2ccccc12 855812 XYOIAEVQCIWMBD-HSZRJFAPSA-N 361.441 4.771 0 40 FJAB O[C@@H](c1cc(-c2cccc(Cl)c2)nc2ccccc12)[C@H]1CCCCN1 1596774 RFNVOGZLEKVTMA-CTNGQTDRSA-N 352.865 4.731 0 40 FJAB O=C(O)C[C@H](c1ccccc1Cl)[C@H](CC(=O)O)c1ccccc1Cl 1713622 CFXGZHXOVDCVMZ-ZIAGYGMSSA-N 367.228 4.810 0 40 FJAB CCCCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 2066193 NSRNATMTGWYKRK-CQSZACIVSA-N 351.705 4.800 0 40 FJAB CCOP(=O)(OCC)[C@H](Nc1ccc(C(=O)O)cc1)c1ccccc1 2316924 WWDPGTPOIIDRCO-KRWDZBQOSA-N 363.350 4.762 0 40 FJAB Cc1ccc(C(=O)Oc2c(Cc3ccccc3)c(=O)oc3ccccc23)cc1 2411701 HPSWLOHCEPQYGH-UHFFFAOYSA-N 370.404 4.911 0 40 FJAB CC1(C)CC(NC(=S)Nc2ccc(SC(F)F)cc2)CC(C)(C)N1 3257193 TZMDSWMMPSRZGR-UHFFFAOYSA-N 373.538 4.597 0 40 FJAB Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 3324011 PRUKVGOIJMIDGM-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1Cl 3622691 QCUQEVAOHDLNFL-UHFFFAOYSA-N 366.852 4.577 0 40 FJAB Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC[C@H](C)C3 5579427 LZJFNLLMKCAHNU-ZDUSSCGKSA-N 355.459 4.667 0 40 FJAB Cc1c(Cl)ccc(S(=O)(=O)Oc2cccc3cccnc23)c1Cl 6184483 PDBDHOKAKJVHMK-UHFFFAOYSA-N 368.241 4.618 0 40 FJAB Cc1ccc(SCC(=O)c2cc(Br)c(C)cc2O)cc1 6214703 YRXIVRXZOQAZFE-UHFFFAOYSA-N 351.265 4.747 0 40 FJAB CSc1ccc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 6886859 YBPSSSZFBTYLIV-UXBLZVDNSA-N 366.438 4.580 0 40 FJAB COc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc(OC)c1 6951383 CCPVISIKXOJCIE-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB Cc1cccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)n1 6968580 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118936528 YUSLPTILBDKHTK-FYYCCOEVSA-N 372.549 4.832 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1 206684130 ILGBRRWZQFXLCG-LJQANCHMSA-N 369.486 4.650 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 224260754 GVFJLZNQQDBAPB-UHFFFAOYSA-N 374.484 4.987 0 40 FJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(-c2ccccc2)cc1 408714311 NYUSLUYKMNSNKI-UHFFFAOYSA-N 369.424 4.676 0 40 FJAB CCOc1cc(CNc2ccccc2CC)cc(Br)c1O 409110808 GWJSOHREKVBDLP-UHFFFAOYSA-N 350.256 4.728 0 40 FJAB O=C(C1CC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576383 VASOBTFJTINKGE-UHFFFAOYSA-N 366.461 4.565 0 40 FJAB Cc1ccc(CCC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1Cl 1617775597 FZXFOQGDYAPPMJ-YVHKJVDXSA-N 371.908 4.958 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(C)c1 623545 ZNDPOENCAHMIMH-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB CCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1 1005376 QGNJRGPZBYZTPC-UHFFFAOYSA-N 369.273 4.519 0 40 FJAB CC(C)CN(C(=O)c1cccc(F)c1)c1nnc(-c2ccc(F)cc2)s1 1356342 CHQUYNSJHPRTAV-UHFFFAOYSA-N 373.428 4.786 0 40 FJAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1 1378891 VKEPWKHCEZYXQL-UHFFFAOYSA-N 371.849 4.610 0 40 FJAB CC(C)Oc1cccc(NC(=O)Cc2ncc(C(F)(F)F)cc2Cl)c1 1393619 QQQVWGSQSLWVOC-UHFFFAOYSA-N 372.774 4.722 0 40 FJAB CCCCSc1nc2sc3c(c2c(=O)n1C)CCc1ccccc1-3 1818604 KNEXGNPUJOLUSY-UHFFFAOYSA-N 356.516 4.653 0 40 FJAB Cc1ccc(C(=O)N[C@H](Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 3147764 NVAZLPRUJVBNSD-INIZCTEOSA-N 371.695 4.842 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)cc1 3267144 ZGSSZEGPSXPVAX-UHFFFAOYSA-N 369.515 4.528 0 40 FJAB Cc1nc2cc(NC(=O)c3ccc(F)cc3F)ccc2n1-c1ccccc1 3351219 WEAILJLCLYOMHL-UHFFFAOYSA-N 363.367 4.864 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 3435404 BGHHATNGBGZARN-UHFFFAOYSA-N 350.159 4.782 0 40 FJAB CCSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 3899908 URKXMICLKJJVDN-GQCTYLIASA-N 360.291 4.609 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 4556152 BFUQMMQBRKJPQA-GOSISDBHSA-N 369.534 4.853 0 40 FJAB CCc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCC2)cc1 4857131 XUZJWZGWBYJWQF-VCSGRIEYSA-N 371.594 4.864 0 40 FJAB CCc1nc(N2CCN(c3cccc(C)c3)CC2)c2oc3ccccc3c2n1 5185177 LKJQAHMLOXXPOD-UHFFFAOYSA-N 372.472 4.573 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1 5928470 YKNDJWJDBDNQQH-UHFFFAOYSA-N 369.424 4.948 0 40 FJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)cc1 6271544 SFFDHGPLYDBLDJ-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc2n1 8040064 ZFOHASNAWJRQKW-UHFFFAOYSA-N 362.429 4.772 0 40 FJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 8706013 CCZOPIVOLYDQKB-UHFFFAOYSA-N 368.380 4.676 0 40 FJAB COc1ccc([C@H]2SCCN2C(=S)Nc2cccc(Cl)c2)cc1 8830064 HWMGCIBPEVSOIV-MRXNPFEDSA-N 364.923 4.793 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)c(C)c1 9190691 NQZJTAPQOZQCOM-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB Cc1ccccc1-c1noc(-c2nnn(-c3cc(Cl)ccc3C)c2C)n1 9300407 CNPNIXKXPJJHOE-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB C[C@H]1CCCCN1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 9536169 JZHZQOFJVFGOPA-YJBOKZPZSA-N 367.518 4.945 0 40 FJAB Cc1cc(C)c(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)c1 11073098 VYHKOEQWRAPWNC-UHFFFAOYSA-N 374.484 4.788 0 40 FJAB Cc1nc2c(SCc3ccccn3)nnc(-c3ccccc3)c2s1 12232831 ZACKQOXNWUSZFR-UHFFFAOYSA-N 350.472 4.749 0 40 FJAB CCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(Cl)cc2)cs1 12441812 FAYIFOQZYKPWMQ-UHFFFAOYSA-N 360.870 4.696 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)[C@@H]1CC=CCC1 12875766 VKEROOBCGHWLGA-CQSZACIVSA-N 370.884 4.620 0 40 FJAB COc1ccc(/C=C2\SC(=S)N=C2O)cc1OCc1ccccc1 13896242 OBOGKHGUGFMYAS-YBEGLDIGSA-N 357.456 4.603 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(F)c(F)c2)c1C 19557929 NJYSICSWIVAGGO-SFHVURJKSA-N 372.419 4.687 0 40 FJAB COc1cccc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3nc2C)c1 19718121 QAGMCBGMOJVPCH-NRFANRHFSA-N 364.420 4.668 0 40 FJAB FC(F)(F)[C@H]1CCCN(Cn2nc(Nc3ccccc3)sc2=S)C1 24001909 QBDVTBQYOYSKOI-NSHDSACASA-N 374.457 4.649 0 40 FJAB COc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccc(C)cn23)cc1 27061612 DUYYRWDNNNNETG-UHFFFAOYSA-N 363.442 4.632 0 40 FJAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccccc2Cl)cc1 27795689 BTIRWVUQIPJBMD-UHFFFAOYSA-N 371.820 4.554 0 40 FJAB Cc1cccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 28229592 FMCGIGTYXAEDRB-UHFFFAOYSA-N 371.843 4.901 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C)c1 28246593 FJGCDQYFEICDLA-AWEZNQCLSA-N 352.434 4.583 0 40 FJAB Cc1cc2c(nc1C)oc1c(=O)n(Cc3c(Cl)cccc3Cl)cnc12 32101910 WQXJEJSYGLYAOD-UHFFFAOYSA-N 374.227 4.510 0 40 FJAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)Nc1cccc2ccccc12 32611675 MPHHJKAOACDSNQ-UHFFFAOYSA-N 360.392 4.868 0 40 FJAB Cc1oc(-c2ccccc2)nc1CSCC(=O)N[C@H]1CCCC[C@H]1C 32779185 QCQYGFOPRVUZKS-PBHICJAKSA-N 358.507 4.578 0 40 FJAB C[C@@H](NCc1cc2c(cc1Br)OCO2)c1ccc(Cl)s1 35253528 XKBOSERMVKESMM-MRVPVSSYSA-N 374.687 4.744 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 38833522 AYMHZBSIZJSNHI-GOSISDBHSA-N 356.897 4.808 0 40 FJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(OC(F)F)cc1 40059891 DVGQSIAVZZNWQU-SNVBAGLBSA-N 359.294 4.798 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 64982526 IBRDUOWICGFKCY-GOSISDBHSA-N 352.478 4.700 0 40 FJAB CC(=O)NCCCCCC(=O)O[C@@H](c1c(Cl)cccc1Cl)C(C)C 89791414 MHLRAGRKDBXMAE-GOSISDBHSA-N 374.308 4.930 0 40 FJAB Cc1csc(-c2cccc(NC(=O)N[C@H]3CCO[C@H](CC(C)C)C3)c2)n1 95464602 KGUNQTBTRQBHRA-ZWKOTPCHSA-N 373.522 4.834 0 40 FJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccc(C(C)C)cc2)S1 95472576 CPXMAAWEPKMEMB-SFHVURJKSA-N 371.506 4.950 0 40 FJAB COc1ccc([C@@H]2C=C(c3ccc4ccccc4c3)Nc3nc(C)nn32)cc1 101387941 WRZJOPLIFHORKL-QFIPXVFZSA-N 368.440 4.804 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 222864143 JHOFNWYYQIZUEJ-SFTDATJTSA-N 355.478 4.756 0 40 FJAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1 224032278 DEKVLZZEAPEPQP-GOSISDBHSA-N 361.507 4.557 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224435419 XMCAOMJENUUPHM-HXUWFJFHSA-N 369.505 4.645 0 40 FJAB CCCCOCc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 224439195 VIVODWFNFPMDBA-UHFFFAOYSA-N 357.450 4.581 0 40 FJAB CCCC[C@@H](CC)CNC(=O)CCCN1C(=O)c2cccc3cccc1c23 224556333 RZSVYGYKKNYVKS-QGZVFWFLSA-N 366.505 4.913 0 40 FJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225677334 FMKHFVVJELECGA-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2)c1 226240713 QUNRUHAYHHNQSO-UHFFFAOYSA-N 370.802 4.808 0 40 FJAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccs1 408627987 PBKSJVGDLNHILV-UHFFFAOYSA-N 364.801 4.547 0 40 FJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(C)=O)c3)o2)C1=O 409010969 GMYVKFBUDIAMTN-MBNTZHJCSA-N 369.442 4.984 0 40 FJAB COc1cccc(NC(=O)N[C@H](C)Cc2csc3ccccc23)c1OC 575619282 CUTVQXPNHBMFLY-CYBMUJFWSA-N 370.474 4.671 0 40 FJAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2csc3c2CCCC3)cc1 1634527098 DNGKOEDIEAUSRV-LAUBAEHRSA-N 369.530 4.833 0 40 FJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC(C)C 630468 LJWGSOSVOZEJPM-UHFFFAOYSA-N 366.413 4.928 0 40 FJAB biogenic FC(F)(F)c1cccc(NCn2nc(-c3ccccc3)oc2=S)c1 705012 JKEXAIQLETUUGD-UHFFFAOYSA-N 351.353 4.961 0 40 FJAB COc1ccccc1C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 826552 RSPCIHTVAMUURO-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB COc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)ccc1O 904192 KXDLYOBNJXDGGS-UHFFFAOYSA-N 357.841 4.723 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(Cl)cc1 948627 XPWXTWNBKFGRTN-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cccc(OC)c1 1339986 VVSBHIKCCUMXBX-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB Cc1ccc(F)cc1NC(=O)CCCOc1cccc(Br)c1 2622599 PUDVNZUSPPRAJG-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB CCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 3339277 DUVHOJDQHVVRKJ-UHFFFAOYSA-N 360.262 4.583 0 40 FJAB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 3913017 IFQFHZGZUDQILT-MJXNMMHHSA-N 367.832 4.834 0 40 FJAB O=c1cc(COc2ccc(-c3ccccc3)cc2Cl)nc2sccn12 5365998 GYUUORNCIGTBSA-UHFFFAOYSA-N 368.845 4.655 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5453464 JXOICCUMHAXSEM-NSHDSACASA-N 374.897 4.856 0 40 FJAB COc1cc(C(=O)Nc2ccc3nc(C)sc3c2)cc(Cl)c1OC 5578161 APLOXWIUWISXCN-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677004 LKHBFHADFVPHLH-XDHFEDCHSA-N 367.228 4.591 0 40 FJAB CCc1c(C)sc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C(N)=O 6122961 XMBQRUADLDAHQU-UHFFFAOYSA-N 364.470 4.637 0 40 FJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)CCc1ccccc1 6233242 AQLRTFGUYZYJQN-QGZVFWFLSA-N 359.897 4.945 0 40 FJAB Clc1cccc(-c2noc(CSc3ncnc4ccccc34)n2)c1 6991405 XZKWYBPZKVJMGP-UHFFFAOYSA-N 354.822 4.626 0 40 FJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cc1 7052585 WFUYCMCUXUVDGI-MDZDMXLPSA-N 372.671 4.515 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(SC)c2)C(=S)N1 8023703 SFJLYVCWSCCIAI-YLJYHZDGSA-N 370.543 4.905 0 40 FJAB CC(C)CCOc1ccc(C(=O)Nc2nccs2)cc1Br 8568750 QOZGTXVXGLUWII-UHFFFAOYSA-N 369.284 4.583 0 40 FJAB CCC(CC)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107428 OWCITSHKHAGVES-UHFFFAOYSA-N 350.462 4.541 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)n1C1CCCCC1 9112147 VQDDFDWPEGTAFJ-CQSZACIVSA-N 358.511 4.519 0 40 FJAB Cc1cccc(O[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 9190805 SDLOFKHEZNFFJI-LBPRGKRZSA-N 359.223 4.948 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9419247 CEBDIEUTXVQUJT-PEKVBPLLSA-N 351.837 4.593 0 40 FJAB C[C@@H](OC(=O)c1ccc(Cl)cc1N)c1nc2ccccc2n1C(F)F 9467773 IFLWHEGXTDIKAZ-SECBINFHSA-N 365.767 4.585 0 40 FJAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccccc1OCc1ccccn1 12527994 USPIUWUFYKPKBE-WOJGMQOQSA-N 362.816 4.807 0 40 FJAB CCC[C@@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C)c1ccccc1 12727380 NOSYVAQHSYEJFG-FUHWJXTLSA-N 365.473 4.721 0 40 FJAB O=C(Cc1ccsc1)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 12932980 FLXGEYAHEBQMOZ-IBGZPJMESA-N 373.424 4.798 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 13710828 NJIQFSMNPMKHLM-LJQANCHMSA-N 359.469 4.977 0 40 FJAB Cc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1C 14076219 MBXLVZIYBCZIFK-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB COc1ccccc1CNc1ncccc1-c1nc(-c2ccccc2C)no1 15669968 XFNJJIUQHKMHQC-UHFFFAOYSA-N 372.428 4.728 0 40 FJAB COc1ccc2cc(CNc3ccccc3-c3ccccc3)c(=O)[nH]c2c1 19563942 JWEVPOMWKGSQMX-UHFFFAOYSA-N 356.425 4.816 0 40 FJAB COc1ccc(CCNCc2ccc(-c3ccccc3Cl)o2)cc1OC 19796837 AQRVNUOUWJEEKU-UHFFFAOYSA-N 371.864 4.950 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 20108844 ITSZIQIVKITOJI-HXUWFJFHSA-N 374.912 4.978 0 40 FJAB Cc1ccccc1[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 23865483 FYLUHHGPKADLSF-DEOSSOPVSA-N 370.496 4.542 0 40 FJAB COc1ccc(OC)c(NC(=O)Nc2nc3c(C)c(C)ccc3s2)c1 28221491 ROJNWXITFZDUTB-UHFFFAOYSA-N 357.435 4.574 0 40 FJAB Cc1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc1 28457202 ACHDFXDSUDOMJL-UHFFFAOYSA-N 358.854 4.804 0 40 FJAB COc1ccc(NC(=O)c2sc3sccc3c2Cl)c(OC)c1 30057678 WWSYRWVRDHDESN-UHFFFAOYSA-N 353.852 4.886 0 40 FJAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1cc2ccccc2o1 32100660 HNAQUXMRBMHIRT-UHFFFAOYSA-N 355.353 4.888 0 40 FJAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc2cc(Cl)ccc2[nH]1 32759676 GMOYNROCUHSPHF-UHFFFAOYSA-N 363.244 4.626 0 40 FJAB Cc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c(C)c1 32924748 XFAXZEQSFWVCQX-UHFFFAOYSA-N 350.393 4.560 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 36397672 ZAUKBUQBYUASTA-NRMGUKERSA-N 372.468 4.893 0 40 FJAB O=c1nc2n(c3sc4c(c13)CC[C@H](c1ccccc1)C4)Cc1ccccc1-2 36611830 LINDXIOPBHQUPY-HNNXBMFYSA-N 370.477 4.759 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1Cl 39631971 QWMLFAOUXUWWEG-KRWDZBQOSA-N 352.261 4.776 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)OC 44839850 PYIPRGCFRWHBEQ-MRXNPFEDSA-N 363.866 4.636 0 40 FJAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(-c2nccs2)cc1 58081448 FKENXPGDANJBDV-PBHICJAKSA-N 359.495 4.527 0 40 FJAB Fc1cccc(-n2ccnc2SCCCc2nc3ccccc3o2)c1 58342499 XFDVSJVEKPESGK-UHFFFAOYSA-N 353.422 4.878 0 40 FJAB O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1cccs1)N1CCCCC1 84519405 DBSOKDODALVEDE-UYAOXDASSA-N 354.519 4.639 0 40 FJAB C[C@H]1CCCC[C@H]1OCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 95955451 OBWBPLIKWLIVAQ-XJKSGUPXSA-N 354.475 4.747 0 40 FJAB Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl 96011163 XNEWTZWYARDVME-WDEREUQCSA-N 351.233 4.909 0 40 FJAB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102622434 BPXBLALYCPDREW-UWJYYQICSA-N 356.429 4.652 0 40 FJAB CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(O)CC(C)(C)CC1=N2 102678968 ZWKVPIDCWCEANM-MRXNPFEDSA-N 354.479 4.616 0 40 FJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 102707725 JSJKLECSJXUUFW-PBWTXFEYSA-N 353.849 4.522 0 40 FJAB CCCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 218982127 FQVPLNRBDZYHQN-UHFFFAOYSA-N 355.478 4.625 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)c1 224225285 CDTNKWCNBYWJGR-PMACEKPBSA-N 362.502 4.512 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224438955 UPQNZDPABYPJSK-NRFANRHFSA-N 369.505 4.645 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(Cl)cc1Cl 225463326 KVLZINCBIHKCFL-UHFFFAOYSA-N 364.272 4.567 0 40 FJAB CO[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@@H](C)C1 225633849 OYWYNLDOZIXESP-VGSWGCGISA-N 353.462 4.799 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccccc2C)c1 225754187 RFPCOWOXXCFPHF-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1ccc(OC)cc1 225763672 GPSAMBDBKBSRPA-UHFFFAOYSA-N 367.474 4.591 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225862659 OSNCGYZHRDBHKS-UHFFFAOYSA-N 358.869 4.974 0 40 FJAB CC[C@@H](C)n1ncc(C(=O)NCC2CC(c3ccccc3)C2)c1C1CC1 585080365 AGBVGIIVAUORRJ-MDCZIUGASA-N 351.494 4.655 0 40 FJAB O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1ccsc1Cl 1611640520 IOTFCNBFCWMTNS-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB Cc1ccc(S[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 625078 UKHYIMPGEHELBH-JOCHJYFZSA-N 361.466 4.726 0 40 FJAB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C2 1432759 KEXZTAHNMDJXFD-XXFAHNHDSA-N 359.775 4.693 0 40 FJAB CCCCCOc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2304412 VYNAZZHNKVQULR-UHFFFAOYSA-N 371.506 4.968 0 40 FJAB Cc1ccsc1C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 3349364 LFBWBRYDMOZOLE-UHFFFAOYSA-N 367.426 4.644 0 40 FJAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3C)ns2)c1 4167433 ZAHVINRLONNWOH-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 4496524 JNLZUTCEUFSFKH-UHFFFAOYSA-N 367.474 4.783 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 4503097 YDHODCXRGNSWKL-UHFFFAOYSA-N 351.233 4.840 0 40 FJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 4700255 HJOFCMMWMNTBQJ-UHFFFAOYSA-N 362.404 4.909 0 40 FJAB CC[C@@]1(C)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 4818258 ASJYSWNJAMOMBQ-QFIPXVFZSA-N 362.498 4.953 0 40 FJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccccc1 5485617 UNMPHBYKGCUZLG-FMIVXFBMSA-N 371.396 4.550 0 40 FJAB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C 6968538 GERPTZREACSUPL-MOSHPQCFSA-N 361.489 4.677 0 40 FJAB COc1ccc(C)cc1NC(=O)CSCc1c(F)cccc1Cl 7094355 RWLQKEXCKYAHAQ-UHFFFAOYSA-N 353.846 4.668 0 40 FJAB O=C(COc1ccccc1F)Nc1nc(-c2ccccc2Cl)cs1 7640846 VYUSAERVZGRLPP-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB CCCCN(Cc1cccs1)C(=O)CCn1c(C)nc2ccccc21 9433975 UEFBETKOEMWVOJ-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB Cc1ccc(C)c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10506489 PZCVOLFYKUZSAQ-UHFFFAOYSA-N 372.472 4.687 0 40 FJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccc(C)c1 11612196 KXMGAPWNINDETO-UHFFFAOYSA-N 351.427 4.762 0 40 FJAB Cc1cc2cc(CNc3ccc(N4CCCCC4)cc3)c(=O)[nH]c2cc1C 12088262 LROOSISJGOHPNF-UHFFFAOYSA-N 361.489 4.747 0 40 FJAB Cc1cc(C)c(NC(=O)c2cccc(OCc3cscn3)c2)c(C)c1 12755868 HPRVVZCLISYPCZ-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCCC[C@H]1c1cccnc1 13003626 QCKWAKZEHJRBJF-YCPHGPKFSA-N 353.293 4.726 0 40 FJAB biogenic CC[C@@H](c1ccccc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13693140 QZGJTRHABKHCKK-INIZCTEOSA-N 371.469 4.943 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)c(F)c1 14140150 HECURFVXSKCYGG-UHFFFAOYSA-N 363.479 4.630 0 40 FJAB COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OC 14426941 FPGTWENHUSYLDP-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccccc1Br 15019134 AYDPEORASWIVQD-XNTDXEJSSA-N 374.259 4.686 0 40 FJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2NC1=O 15432251 ZOVXXQMISURWDV-QMMMGPOBSA-N 367.257 4.678 0 40 FJAB Cc1ccccc1NC(=O)Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 15881492 KGZAXYFMAAUSBV-UHFFFAOYSA-N 374.444 4.762 0 40 FJAB CC(C)c1ccccc1NC(=O)/C(Cl)=C1\Sc2ccccc2NC1=O 16957365 UJCGRLYBRZEXSH-WUKNDPDISA-N 372.877 4.943 0 40 FJAB CCCCOc1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12 19942720 JPTZAIMHYTYEDB-UHFFFAOYSA-N 361.507 4.630 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20141322 HDDVMUSUOWORDK-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB Cc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1-c1ccc(CO)o1 20141629 XQWKWUGAODZCRK-UHFFFAOYSA-N 365.429 4.787 0 40 FJAB Cc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 21596703 LCIHDUSJOROGEN-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1C 22606244 UIROZFCJBDSHBB-OAHLLOKOSA-N 365.502 4.930 0 40 FJAB C[C@H](OC(=O)c1sccc1-n1cccc1)c1nnc(-c2cccs2)o1 22888390 UPOZQPSQPVUZBY-NSHDSACASA-N 371.443 4.568 0 40 FJAB Cc1cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n(C)n1 24833715 FGVBDEYFPARGDI-UHFFFAOYSA-N 363.284 4.667 0 40 FJAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NC[C@@H]3CCCO3)sc2c1 26688077 GBYFWWRYLQQMEO-LBPRGKRZSA-N 351.899 4.761 0 40 FJAB Cc1cc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)on1 32932772 CKKLRSVJAISYQM-IBGZPJMESA-N 366.461 4.858 0 40 FJAB NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 34044079 HRMNVTMRIORZOL-UHFFFAOYSA-N 358.319 4.659 0 40 FJAB Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 39978568 DZRMUDDHIDKCNM-UHFFFAOYSA-N 359.426 4.545 0 40 FJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 57266077 BCYTWLHUCQCOHK-MRXNPFEDSA-N 371.452 4.690 0 40 FJAB O=C(Cc1ccc(F)cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 58171710 YMYATZVGRVKDAQ-UHFFFAOYSA-N 351.343 4.578 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2-c2ccccc2)c1 69589701 CSQAXJUKHZSPGG-INIZCTEOSA-N 361.441 4.862 0 40 FJAB O=C(c1ccc(NCc2cc3ccccc3nc2Cl)cc1)N1CCCC1 69946637 DAPYNKCKEJNROO-UHFFFAOYSA-N 365.864 4.736 0 40 FJAB O=C(CN1CCc2ccccc21)N1c2ccccc2Sc2ccccc21 71415890 AVYLXNIHGHHDKM-UHFFFAOYSA-N 358.466 4.879 0 40 FJAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc(F)c1 71763152 NQTHGJQNQIELFF-LJQANCHMSA-N 355.796 4.813 0 40 FJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)c2)c1 72353823 LPGXHCNVHALMDV-NRFANRHFSA-N 350.506 4.651 0 40 FJAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)CC2CCCC2)n1 72372555 RDHIOVSYISYHFB-HXUWFJFHSA-N 364.493 4.772 0 40 FJAB CCOC(=O)c1c(CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc2c1C 102365874 YWZFVXOUXCSUPH-LSTDLKDCSA-N 366.505 4.634 0 40 FJAB Cc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 102610081 BIHVFDNNTZQFIO-IIBYNOLFSA-N 356.429 4.652 0 40 FJAB COC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118933767 PGQGNHJPSJHIQE-WRCKMSFESA-N 374.521 4.670 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219320529 CAIFLVNXAGBFKK-SJORKVTESA-N 373.880 4.916 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1 219603818 PULBFODESRTUJI-SFHVURJKSA-N 366.288 4.900 0 40 FJAB Cc1ccc(CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 223143814 VYMOLYGYHKSESU-UHFFFAOYSA-N 370.924 4.547 0 40 FJAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OCC 225065430 UURRBXHFATYLGT-QGZVFWFLSA-N 369.461 4.516 0 40 FJAB CSc1ccccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225809521 YEGQXHBEOAJNJN-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1c(F)cccc1Cl 408565523 LGOGUAAGIPKKDI-AWEZNQCLSA-N 365.901 4.850 0 40 FJAB Cc1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 408574689 KAPKDDNWXBSSCH-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB Cc1cc(O)nc2ccc(NC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)cc12 1167388566 IIFGRMMJJABJIA-QGZVFWFLSA-N 362.429 4.532 0 40 FJAB C=CC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1262556270 GJMWSPOTAWJUFK-UHFFFAOYSA-N 357.278 4.578 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 936274 HOQGFITVCIPTNP-XBXARRHUSA-N 352.217 4.663 0 40 FJAB O=C(COC(=O)/C=C/c1cccc2ccccc12)Nc1ccc(Cl)cc1 957207 IUSCJWCZAWODMF-MDWZMJQESA-N 365.816 4.688 0 40 FJAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2nc1Cl 1367627 ZNHUQVBMVHWDIE-UHFFFAOYSA-N 356.828 4.884 0 40 FJAB Cc1nn2c(NCCc3ccccc3)c3c(nc2c1-c1ccccc1)CCC3 2440280 YTWUCMXQMZRMTA-UHFFFAOYSA-N 368.484 4.848 0 40 FJAB Oc1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 2848391 MRLWWNQPHDNPRD-UHFFFAOYSA-N 369.346 4.712 0 40 FJAB Cc1ccccc1C(=O)Nc1nnc(SCc2cccc(F)c2)s1 4078298 KEELQTPWLKRFAX-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB CC[C@@H]1CCc2sc(C(=O)Nc3cc(OC)c(OC)cc3C)cc2C1 6259027 RYLCACJVTKGEBQ-CYBMUJFWSA-N 359.491 4.841 0 40 FJAB O=C(O)CCc1ccc(-c2ccccc2)n1CCOc1ccccc1Cl 6618516 HJAOYPKQCGBWFA-UHFFFAOYSA-N 369.848 4.905 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 7929038 MRBLCAQTCTXRHC-MAUKXSAKSA-N 365.473 4.775 0 40 FJAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCCC2)cc1 8136137 AYKHSRDKTSPVIR-KRWDZBQOSA-N 367.493 4.515 0 40 FJAB Cc1ccc(-c2csc3ncnc(N(C)CCc4ccccn4)c23)cc1 8148675 WGJZZXOWLKCICA-UHFFFAOYSA-N 360.486 4.741 0 40 FJAB O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 8368588 DSJOTQFOLJTQEO-JKSUJKDBSA-N 353.487 4.631 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 8903109 LYZOECFLARANTH-UHFFFAOYSA-N 354.431 4.506 0 40 FJAB O=C(NC(=S)Nc1ccc(F)cc1)c1cccc2c(Cl)cccc12 9140270 HJBJBPYUPNTMHC-UHFFFAOYSA-N 358.825 4.759 0 40 FJAB Cc1cc(C)cc(-n2ncc3c(N(Cc4ccccc4)C(C)C)ncnc32)c1 9627520 PGDPAKFSEFVCEH-UHFFFAOYSA-N 371.488 4.847 0 40 FJAB Cc1cc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1 10126204 CUUGFKYXGPTXNG-UHFFFAOYSA-N 373.412 4.876 0 40 FJAB COc1cccc([C@H]2CCCN2C(=O)CCc2nc3ccccc3s2)c1 11142565 JAWJRMHEMHICOR-GOSISDBHSA-N 366.486 4.601 0 40 FJAB Cc1cc(C)c2c(C)c(C(=O)NCC3(c4ccccc4)CC3)sc2n1 11750758 PMEMDMIFHXTCJG-UHFFFAOYSA-N 350.487 4.683 0 40 FJAB CN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 11922107 YCXXNMANBQGGEB-UHFFFAOYSA-N 367.452 4.875 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2)cs1 12993576 BCNDJJHVMHEVDB-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB COc1ccc([C@@H](NC(=O)CSc2ccc(F)cc2F)C(C)C)cc1 13012638 QDPBYLBYUSWHQQ-IBGZPJMESA-N 365.445 4.579 0 40 FJAB Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]c1C 15081551 ZNIZDJPPYIRQDP-UHFFFAOYSA-N 367.499 4.948 0 40 FJAB CN(Cc1ccco1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15617793 CRCZOOBLRRJZTQ-UHFFFAOYSA-N 374.849 4.519 0 40 FJAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(CC2CCCCC2)C1 19081791 RFSHXPJKQABFBM-TZIWHRDSSA-N 371.569 4.577 0 40 FJAB Cc1nc(COc2cccc(C(=O)NCCC3=CCCCC3)c2)cs1 21003084 KSDWSYQYEVSLAS-UHFFFAOYSA-N 356.491 4.651 0 40 FJAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1 27992273 OPFIDUHPVKKHHW-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB Cc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 28293292 LCWGPJWGJQLOQM-UHFFFAOYSA-N 359.429 4.855 0 40 FJAB O=C(CCc1ccccc1)Nc1nn(Cc2ccccc2Cl)cc1Cl 32609650 HHXCTQITEHQVIT-UHFFFAOYSA-N 374.271 4.810 0 40 FJAB O=C(O)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc1 33437495 WBTPHUWGHSXADZ-QINSGFPZSA-N 359.381 4.508 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833461 WLSONQXVTOPOAU-GOSISDBHSA-N 356.897 4.808 0 40 FJAB O=C(Nc1ccc(OC(F)F)cc1)c1cccnc1SC1CCCC1 40156610 HXYBJDQACQCILP-UHFFFAOYSA-N 364.417 4.970 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c4ncccc34)no2)cc1 41157076 SJFFXFQEWTTXLW-UHFFFAOYSA-N 373.412 4.849 0 40 FJAB ClC1(Br)[C@H]2CC[C@@H]3[C@@H](CC[C@@H]21)C3(Cl)Br 63760902 SFVAUXRMMFFMJV-QGPWORDESA-N 362.920 4.712 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(N)cc2Cl)cc1 72229059 VZCHFSQRYIVTAR-AWEZNQCLSA-N 357.885 4.862 0 40 FJAB NC(=O)c1ccccc1Oc1ccc(NC(=O)CCC2CCCCC2)cc1 72306427 XTJCWKQQRUQZNP-UHFFFAOYSA-N 366.461 4.877 0 40 FJAB O=C(N[C@H](c1cccs1)C1CCCC1)c1c(Cl)nc2ccccn12 84606540 AQSHOURAUSUKCC-HNNXBMFYSA-N 359.882 4.711 0 40 FJAB Nc1nc(Sc2ccccc2)n(C(c2ccccc2)c2ccccc2)n1 95116173 FPIHZHFLDZKEDB-UHFFFAOYSA-N 358.470 4.649 0 40 FJAB O=C(CCc1nc([C@H]2CCCc3ccccc32)no1)c1ccc(F)c(F)c1 96009110 NBKWLJNBMDDEIA-INIZCTEOSA-N 368.383 4.632 0 40 FJAB c1csc(CN[C@@H]2CC3(CCN(CC4CC4)CC3)Oc3ccccc32)c1 96242805 OYRSVIVAVREDKG-HXUWFJFHSA-N 368.546 4.606 0 40 FJAB CO[C@@](C)(CNC(=O)Nc1ccccc1Cl)c1cccc(Cl)c1 96393263 NQHSMYCHPPTIFU-KRWDZBQOSA-N 353.249 4.677 0 40 FJAB COc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3ncnc3N2)cc1 101173467 GURBWLKEDHAJII-MRXNPFEDSA-N 373.243 4.650 0 40 FJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1cccc(Cl)c1 224485447 VKPRNRWTWPQYLS-UHFFFAOYSA-N 361.869 4.846 0 40 FJAB CC(C)Sc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 224569123 GXGPUXHTVRKUSA-UHFFFAOYSA-N 373.956 4.813 0 40 FJAB Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(Cl)c2C)n1 225815580 KHZDJAOAHMCAKE-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB CCCCOc1ccc(NCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 408723723 DYTDXJVUTNIMMC-UHFFFAOYSA-N 374.440 4.684 0 40 FJAB COc1ccc(/C=C(/C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 408924483 JFTGTPSARBFZTF-XQNSMLJCSA-N 357.453 4.861 0 40 FJAB C[C@@H](NC(=O)c1cc2nccnc2cc1F)c1ccc(F)c2ccccc12 564003107 HJYALRSTVHOTHX-GFCCVEGCSA-N 363.367 4.552 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)CC2CCCC2)CN1c1ccc(F)cc1 1615125093 YSJKREVRRDRQBG-JOCHJYFZSA-N 358.501 4.756 0 40 FJAB Oc1cc(-c2ccccc2)nc(SCc2coc(-c3ccccc3)n2)n1 1653110629 IPFPFWLOOMLUFF-UHFFFAOYSA-N 361.426 4.797 0 40 FJAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1 1775978472 SCNFHIPAFHFNSP-VQTJNVASSA-N 365.498 4.759 0 40 FJAB CCSc1nnc(-c2ccccc2Br)n1-c1ccccc1 878101 IXVCDLBEHOTDHF-UHFFFAOYSA-N 360.280 4.809 0 40 FJAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)c1 899642 QVUPDROPLPNTLM-UHFFFAOYSA-N 374.849 4.585 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 1329575 NDGMZXBVVLOKOY-CQSZACIVSA-N 369.465 4.952 0 40 FJAB Cc1cccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C 1358368 FBKHKUJYBJMIJC-INIZCTEOSA-N 364.518 4.756 0 40 FJAB Cc1ccc(-c2nnc(-c3c(-c4ccccc4)nn(C)c3Cl)o2)cc1 1389103 JVTVPQRPTRFWCR-UHFFFAOYSA-N 350.809 4.766 0 40 FJAB COc1ccc2c(c1)c(C(=O)CN1C[C@]3(C)C[C@H]1CC(C)(C)C3)c(C)n2C 2094864 NPEAVBVVTBDHLM-WAIKUNEKSA-N 368.521 4.579 0 40 FJAB CCN(CC)c1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 2385355 RJAGDOZQATVEMN-UHFFFAOYSA-N 363.490 4.674 0 40 FJAB O=C(CSc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 2630631 YBOULZRFWXSZHR-UHFFFAOYSA-N 362.426 4.819 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 2648546 XVCMDSKITAFWHU-NSHDSACASA-N 373.758 4.953 0 40 FJAB CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721774 PDFHHYSZIWHCFS-UHFFFAOYSA-N 371.892 4.611 0 40 FJAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)cc1C 3117431 MNUTXCCRYHRUAY-OXJNMPFZSA-N 368.477 4.583 0 40 FJAB biogenic Cc1ccc(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)cc1C 3584994 WCWYOMMCIRRYEA-UHFFFAOYSA-N 351.277 4.681 0 40 FJAB Clc1ccc2nc(-c3cccnc3)c(Nc3ccc4c(c3)OCO4)n2c1 4126188 TWRHLGGBTBLPAT-UHFFFAOYSA-N 364.792 4.522 0 40 FJAB CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)C)C2 4156461 IARWPVFUHGGATM-LLVKDONJSA-N 353.484 4.644 0 40 FJAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(C)(C)C 4267265 OZFBXJUOLZIKLY-UHFFFAOYSA-N 366.417 4.678 0 40 FJAB C[C@@H](Cc1ccccc1)NCCCCCCN[C@@H](C)Cc1ccccc1 5275222 QDTBMJUZMMWCQX-VXKWHMMOSA-N 352.566 4.988 0 40 FJAB CC(C)c1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 5522905 NJGPHOOZSDTXDX-UHFFFAOYSA-N 358.938 4.961 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 5527769 ZFDGFKNFYHETRQ-INIZCTEOSA-N 357.881 4.589 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)c(C)c1 6266505 JVCLCPDQBXDIEG-UHFFFAOYSA-N 372.896 4.965 0 40 FJAB Cc1ccc(C)c(Sc2ncccc2C(=O)NN2[C@@H](C)CCC[C@@H]2C)c1 6583705 FBNQRLFZMXMLRF-IRXDYDNUSA-N 369.534 4.757 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccsc1)S[C@H](C)C(=O)N2 6679252 PPUITQVGVKEARQ-BZNIZROVSA-N 373.478 4.545 0 40 FJAB Cc1ccc2c(CC(=O)NCCc3ccc(C(F)(F)F)cc3)coc2c1 6947363 FQURXEMQZIFKQX-UHFFFAOYSA-N 361.363 4.661 0 40 FJAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 7928915 HGRQOBSSCDEJKI-QGZVFWFLSA-N 365.473 4.559 0 40 FJAB CCCN(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 8774886 QHARLZDJIREBKK-UHFFFAOYSA-N 350.434 4.897 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)cc1 9220980 BHLBFLWZMRLKMI-UHFFFAOYSA-N 354.457 4.533 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)NCCC(c2ccccc2)c2ccccc2)c1C 9691928 GGBWAXHEYQIOLF-UHFFFAOYSA-N 374.484 4.786 0 40 FJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3)C[C@H]21 10215585 RDJURAGCWKLQLE-XMSQKQJNSA-N 360.413 4.921 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 10279766 FYMBQLWFXWOAQB-HRAATJIYSA-N 368.477 4.524 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(F)(F)F 11636980 WEMLTFGFQAGYEI-MRXNPFEDSA-N 353.340 4.510 0 40 FJAB O=C(Cc1cccc2ccccc12)N1CCC(c2nc3ccccc3o2)CC1 11914901 SUBHMGLWXXMNTP-UHFFFAOYSA-N 370.452 4.930 0 40 FJAB CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 12792756 LYLYSTUDGUEAEJ-AWEZNQCLSA-N 367.474 4.595 0 40 FJAB O=C(Nc1ccccc1Br)C1(c2cccc(Cl)c2)CC1 12901516 XXZQQZZRRRZPAQ-UHFFFAOYSA-N 350.643 4.773 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c(F)c1 12947153 BXURXRYBGHWLED-UHFFFAOYSA-N 361.376 4.832 0 40 FJAB COc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1OC(F)F 13055640 VVFZFVUTDLHJIM-SOFGYWHQSA-N 371.339 4.713 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1F 13709965 CNTYJGKLHVNQCD-SECBINFHSA-N 372.621 4.648 0 40 FJAB COc1ccccc1C1(NCc2cc(Cl)c3c(c2)OCO3)CCCC1 13998186 WBVDDSLKLYYQJM-UHFFFAOYSA-N 359.853 4.636 0 40 FJAB CCOc1ccccc1-c1nnc(SCc2ccc(F)cc2)n1CC 14085342 BMEQMBQXABOHSG-UHFFFAOYSA-N 357.454 4.795 0 40 FJAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20140202 USWDTVNSJJZZLH-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(OC)cc1 20454443 NDKYIGLQJXSZSZ-LEWJYISDSA-N 355.478 4.737 0 40 FJAB Cc1cccc(-c2nn3c(-c4ccccc4Br)nnc3s2)c1 21260792 DZGBLGWDNCAKTB-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSCc1nc(-c2cccs2)no1 23079225 QYTYGWBJYSGUSM-UHFFFAOYSA-N 369.471 4.704 0 40 FJAB COc1ccc(-c2csc(Cc3ccc(OC)c(OC)c3)n2)cc1F 23624937 BLLWKVLFKHYNDA-UHFFFAOYSA-N 359.422 4.566 0 40 FJAB CSc1ncc(C(=O)Nc2nc(C(C)(C)C)cs2)n1-c1ccccc1 24749293 VMXGYZRJCHVECS-UHFFFAOYSA-N 372.519 4.601 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cnc4ccccc4c3)c12 32900716 VTOHXUSGINAMPE-UHFFFAOYSA-N 370.368 4.592 0 40 FJAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)Nc1cccs1 38668577 OVPRAJMOVCCCPN-UHFFFAOYSA-N 361.467 4.683 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 42798949 OXSVLALMOLJRPR-INIZCTEOSA-N 362.477 4.522 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Cl 44903910 DGMYKBNMOUHYSH-INIZCTEOSA-N 354.233 4.798 0 40 FJAB Cc1cc(N)cc(C)c1NC(=O)c1cc(Br)ccc1Cl 45889127 UQAOHJBKUAXUKH-UHFFFAOYSA-N 353.647 4.554 0 40 FJAB CC(=O)Nc1ccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 48341524 HLOZPDWBBOTQTH-UHFFFAOYSA-N 354.837 4.848 0 40 FJAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H]2c2ccsc2)no1 52803718 GJOKYRRGIYUDSV-IEBWSBKVSA-N 367.474 4.561 0 40 FJAB C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(C(=O)O)cc2)C1=O 55175044 FRFJZKDYECCTRX-LMVFOVOHSA-N 361.507 4.786 0 40 FJAB Cc1occc1CN(C)C(=O)c1c(-c2c(F)cccc2Cl)noc1C 55460980 KRUQMVRLQSYASX-UHFFFAOYSA-N 362.788 4.616 0 40 FJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)cc1C 67258726 HYROQVMGUFVPJS-UHFFFAOYSA-N 352.503 4.962 0 40 FJAB CCOC(=O)c1ccc2nc(-c3ccccc3Br)sc2c1 73740380 QUEHIXHMRDDQDG-UHFFFAOYSA-N 362.248 4.903 0 40 FJAB CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1cccc2[nH]ccc12 95467101 SPHGMWUJTKXCDT-IBGZPJMESA-N 372.856 4.586 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccccc21 96222935 BYBPXTXXDSGLSQ-OAQYLSRUSA-N 357.457 4.776 0 40 FJAB biogenic C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1 96586403 LVCCXXLZVUWKQN-ZDUSSCGKSA-N 374.278 4.734 0 40 FJAB COc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3ncnc3N2)cc1 101173470 GURBWLKEDHAJII-INIZCTEOSA-N 373.243 4.650 0 40 FJAB Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3c3ccco3)c2)cn1 116046922 HVSFPXARVKGLJI-FQEVSTJZSA-N 362.429 4.539 0 40 FJAB Clc1cc(Cl)c2c(Cl)c(I)cnc2c1 165860558 XMMYWAFCKMGTCQ-UHFFFAOYSA-N 358.393 4.800 0 40 FJAB COc1ccccc1CC(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880307 DCBKYCGHAVHPKO-SFHVURJKSA-N 357.881 4.687 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 216240796 SNRNPJFIVZUIFY-AWEZNQCLSA-N 359.491 4.947 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(C)c1 219316956 WGFUVTNSSCBXJQ-NRFANRHFSA-N 369.505 4.690 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219567065 KOBFVYAWTZPHOU-MOPGFXCFSA-N 355.478 4.737 0 40 FJAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c(C)c1 223662468 XNVYRSKKAZHVGT-UHFFFAOYSA-N 359.491 4.516 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 224190927 ZQQSSUIBPJPGNV-ZWKOTPCHSA-N 365.527 4.937 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccc2ccccc2c1 224316368 XXMRIEZSTSGEAM-UHFFFAOYSA-N 361.441 4.663 0 40 FJAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958901 KKOXPRBZWSJZEZ-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224983849 ITOYXVMONHPLJS-UHFFFAOYSA-N 355.912 4.586 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Sc3ccccc3)ccc21 225131959 OEPXBGWRTHYXNK-ZDUSSCGKSA-N 372.515 4.763 0 40 FJAB S=C(NCCCSCc1ccccc1)Nc1ccc(Cl)cc1 225596684 AIBXHMSOISXHEC-UHFFFAOYSA-N 350.940 4.950 0 40 FJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2)cc1 225774126 XJCBNAYYCBXARN-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 408574012 HDRNMAZDEJVVAA-HNNXBMFYSA-N 357.475 4.763 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 409126797 GBYLWAOAAPQLOL-LBPRGKRZSA-N 350.281 4.877 0 40 FJAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409252088 SGRUQPANUKQBMH-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB O=C(O)c1cc(F)ccc1CN1CCC(c2nc3ccccc3s2)CC1 574644352 GLXAYNIDLJSMKK-UHFFFAOYSA-N 370.449 4.513 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC 1776003704 AGGDFEOYJAPHEK-UHFFFAOYSA-N 374.289 4.674 0 40 FJAB Cc1cc2cc(C)c3nnc(SCC(=O)c4cccs4)n3c2cc1C 1223267 ZIJFIUALWGXJJO-UHFFFAOYSA-N 367.499 4.844 0 40 FJAB CC(C)(C)C(=O)Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1 1447908 ZYAUDQGQDFMAAC-UHFFFAOYSA-N 373.408 4.960 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 3136258 ZBHUCEVJOSCQTF-UHFFFAOYSA-N 367.714 4.661 0 40 FJAB biogenic CC(C)(C)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl 4106380 WJGPTGSZERYQJX-UHFFFAOYSA-N 358.290 4.987 0 40 FJAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 4423344 HYQVNMDGTSCSFZ-FOCLMDBBSA-N 352.437 4.924 0 40 FJAB COCCn1c(SCC(=O)c2cc(C)c(C)cc2C)nc2ccccc21 4484754 UABIMXXKHMRQEQ-UHFFFAOYSA-N 368.502 4.583 0 40 FJAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccc1F 5630589 GBPYKOWUTOIKRF-UHFFFAOYSA-N 365.473 4.965 0 40 FJAB O=C(CSc1nc2ccccc2o1)N(Cc1ccco1)C1=CCCCC1 6086390 HTWCQNNABFLGHH-UHFFFAOYSA-N 368.458 5.000 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6271752 ODSABIPGJLXMGG-UHFFFAOYSA-N 359.425 4.712 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 6656308 YUYYTIWJXUZKKD-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB Cc1ccc(NC(=O)c2cccs2)c(NC(=O)c2ccccc2C)c1 8189321 HXBMWDNXMNTYLW-UHFFFAOYSA-N 350.443 4.870 0 40 FJAB CC(C)Oc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673472 UONJFMUZFKJAKE-UHFFFAOYSA-N 364.445 4.635 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8740567 MHRXXGWPCAEYJS-UHFFFAOYSA-N 371.415 4.568 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 9063134 XEWGSCLKCFIKHX-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9419248 CEBDIEUTXVQUJT-ZPHJMFTNSA-N 351.837 4.593 0 40 FJAB C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 9536161 JZHZQOFJVFGOPA-MAUKXSAKSA-N 367.518 4.945 0 40 FJAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 12562334 OFPHGDUWGMHUNW-ZDUSSCGKSA-N 367.474 4.566 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1oc2ccc(Br)cc2c1C 12786180 AZXCBDRRDRXTGB-UHFFFAOYSA-N 372.218 4.959 0 40 FJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCC(C(C)(C)C)CC1 12921337 NVUVXYKQNRXEBO-IPJUCJBFSA-N 368.525 4.639 0 40 FJAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 12979690 FPOLEHBLOJLVCJ-AWEZNQCLSA-N 368.456 4.766 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 12999006 CAJCYJVYRLAIRS-HNNXBMFYSA-N 367.420 4.904 0 40 FJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1 13687342 PXQAGCHSGRCYSI-UHFFFAOYSA-N 361.485 4.964 0 40 FJAB CCN(CC)Cc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 14199618 GTUDMFCLFJIHHJ-UHFFFAOYSA-N 352.503 4.673 0 40 FJAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccn1 14604153 RERPHPRWZLUFSO-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB COc1ccc(Nc2cc(-c3ccccc3)nc(SC)n2)c(OC)c1 15831942 RXORJXYJEDYFEC-UHFFFAOYSA-N 353.447 4.626 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1noc(-c2ccc(Cl)cc2)n1 15840325 ZYOHZGWJQOGYDK-UHFFFAOYSA-N 363.804 4.724 0 40 FJAB O=C(NCCCCOc1ccccc1)C(c1ccccc1)c1ccccc1 16700005 ZVIFRUZQTNDAHV-UHFFFAOYSA-N 359.469 4.794 0 40 FJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 17073138 RXJFVSCPOOPBEZ-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)cc1)NCC2 20507003 GDECODBDFLBNHY-QFIPXVFZSA-N 355.478 4.506 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 22526366 SCTITPHWBVFVQQ-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)C1(c2cccc(Cl)c2)CCC1 26671278 DIYFYCHVBRYHIQ-UHFFFAOYSA-N 372.877 4.795 0 40 FJAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)C2CCCCC2)cc1 28574755 KFYBXZGCPNNDKE-UHFFFAOYSA-N 351.372 4.718 0 40 FJAB C[C@H](Sc1nc2ccccc2n1C(F)F)c1nc(C(C)(C)C)no1 30028895 JKBJUGMYKLPLKE-VIFPVBQESA-N 352.410 4.965 0 40 FJAB Cc1c(C)c2cc3c(-c4ccc5c(c4)OCCCO5)coc3cc2oc1=O 36369803 BSVRZRLNUPQQBO-UHFFFAOYSA-N 362.381 4.984 0 40 FJAB biogenic CC(=O)c1ccc(OCC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)cc1 40070282 XUQCLKXYIXHQQQ-CQSZACIVSA-N 371.864 4.674 0 40 FJAB O=C(Nc1ccon1)c1cc2sccc2n1Cc1ccc(Cl)cc1 44902165 UTAROTODDSMELY-UHFFFAOYSA-N 357.822 4.645 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2Cl)cc1OC 45382562 BRCMBVVAKSHOCD-SNVBAGLBSA-N 354.233 4.502 0 40 FJAB CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45889321 CWQJNVVTEYXQFA-UHFFFAOYSA-N 369.490 4.927 0 40 FJAB CCN(Cc1ncc(-c2ccc(OC)cc2)o1)[C@H](C)c1cccc(OC)c1 48355206 AMIIQQIXPIPHMQ-MRXNPFEDSA-N 366.461 4.942 0 40 FJAB CC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 49622792 AFPJROXMVMUAIP-SFHVURJKSA-N 355.869 4.662 0 40 FJAB O=C(c1cnc2ccc(F)cc2c1NCc1cccs1)N1CCCCC1 67288499 MRGKRLBORBEHNR-UHFFFAOYSA-N 369.465 4.674 0 40 FJAB CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215442 CGHHPTGHTAFXPX-SFHVURJKSA-N 359.514 4.921 0 40 FJAB Cc1cc2oc(C(=O)Nc3cc(Cl)ccc3C)cc(=O)c2cc1Cl 72238585 WWOILOPFDJLOBR-UHFFFAOYSA-N 362.212 4.969 0 40 FJAB Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)c1c(C)noc1C 84247909 LWQAHQCPZHFVNJ-UHFFFAOYSA-N 372.428 4.705 0 40 FJAB O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1Cc1ccccc1 89840338 QDPQWVMFNKPLIF-QHCPKHFHSA-N 357.453 4.920 0 40 FJAB O=C(CCCc1ccccc1)NCc1ccc([C@H](O)c2cccs2)s1 90613540 PIVIPOCJSNDHDZ-HXUWFJFHSA-N 371.527 4.530 0 40 FJAB O=C(Nc1ccccc1)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 96089462 OTDVIMPNVSQIBT-NRFANRHFSA-N 369.896 4.612 0 40 FJAB CCCc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 102308089 NKEVONKMIIRLDD-NCYDDMDSSA-N 369.505 4.510 0 40 FJAB Cc1cccc(CSCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 218928820 FJOKKRQUXHQWFD-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB CSc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222583632 QKLRTEKFNBKDJJ-UHFFFAOYSA-N 353.422 4.565 0 40 FJAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)CCC2 223245091 JUVHQTCCQZWNRM-INIZCTEOSA-N 351.490 4.729 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 225436440 JZUVNHHQLOTNGE-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB CCOc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1 225568211 HOVPXIJUXQBHHC-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB Fc1ccccc1Cc1cnc([C@@H]2CCCN2Cc2ccccc2F)o1 257264312 LTWDTNPLKXMFLI-FQEVSTJZSA-N 354.400 4.881 0 40 FJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 408713276 RFDVSAKHYZZDNU-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB CCCN1C(=O)/C(=C\c2cc(Cl)c(OC)cc2OC)c2ccccc21 409112834 LWPSMNAKSDJYSO-GDNBJRDFSA-N 357.837 4.654 0 40 FJAB Cc1cccc(NC(=O)COc2cccc(CNc3ccccc3C)c2)c1 409267278 MXTQXRRDQOAADT-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCC(c2c[nH]c3ccccc23)CC1 581017205 ODTKONOPEHPTOT-FQEVSTJZSA-N 368.864 4.827 0 40 FJAB O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)N1CC1CCCCC1 585100751 VKVQCNFEORKMQL-QHCPKHFHSA-N 372.528 4.753 0 40 FJAB O=C(C1CC(F)C1)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105627 JMFIBDUKWPBTNU-UHFFFAOYSA-N 353.437 4.501 0 40 FJAB Cc1cc(C(=O)NCc2cccc(Oc3cccc4ccccc34)c2)n[nH]1 1157438039 XBVBIKUVCIMUSV-UHFFFAOYSA-N 357.413 4.594 0 40 FJAB COc1ccc(F)c2[nH]c(C(=O)N[C@H](C3CCCCC3)C(F)(F)F)cc12 1587462872 LUUNEPUZNZPPCX-MRXNPFEDSA-N 372.362 4.557 0 40 FJAB O=C(Nc1cc(NC(=O)c2ccccc2F)ccc1Cl)c1ccccc1 830109 CJQKRAJQVQPWMC-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB COc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)c(C)cc2c1 875757 BLJMXNDNUMARMD-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB CCOC(=O)c1c(C)n(C)c2ccc(OCc3cc(C)ccc3C)cc12 1463420 QSEYNEIRJXYOOT-UHFFFAOYSA-N 351.446 4.859 0 40 FJAB biogenic COc1cc(NC(=O)NC(Cl)=C(Cl)Cl)cc(C(F)(F)F)c1 2577745 WUNQNZLJTFLRAU-UHFFFAOYSA-N 363.550 4.679 0 40 FJAB CCCCCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O 2768324 SFQBEJDTUKUHNX-CQSZACIVSA-N 371.868 4.562 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1 3018669 QWZZMBSVIWYLTN-JYFOCSDGSA-N 368.436 4.990 0 40 FJAB CCCCOc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 3101389 FNGSXNHFIOUUIU-UHFFFAOYSA-N 356.447 4.738 0 40 FJAB O=C(CCCSc1nnc(NCc2ccccc2)s1)c1ccccc1 3314729 PTXGOAPUEXNMCR-UHFFFAOYSA-N 369.515 4.905 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)c1 3389427 IFKMJDSJUDNWTK-INIZCTEOSA-N 355.488 4.627 0 40 FJAB Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 4144434 TYOFCNMGFXVLCV-CYBMUJFWSA-N 370.518 4.559 0 40 FJAB O=C(CSc1nc2ccccc2n1C1CCCCC1)N1CCCCC1 4632440 NASBAVOIWDTMTL-UHFFFAOYSA-N 357.523 4.646 0 40 FJAB CCSc1nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2s1 5046975 PGUXMGAOGCSIIK-UHFFFAOYSA-N 374.487 4.678 0 40 FJAB O=c1nc(SCc2ccccc2)c2c(n1Cc1cccs1)CCCC2 5267819 OTRJEPUYWQOZNN-UHFFFAOYSA-N 368.527 4.524 0 40 FJAB CC1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 6348822 KNCFHDDHTKLENG-UHFFFAOYSA-N 352.478 4.962 0 40 FJAB C[C@@H](CNC1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 6487209 QIPMPDREAVIMPZ-SFHVURJKSA-N 351.490 4.673 0 40 FJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1cccc(Cl)c1 6969997 ROWRGHHLOMCHDN-UHFFFAOYSA-N 363.642 4.696 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2cccs2)cs1 7060180 NZYWVVXBFZWTAF-UHFFFAOYSA-N 353.472 4.924 0 40 FJAB CN(C)CCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8373819 XLHRQXRKGPITCX-UHFFFAOYSA-N 366.480 4.599 0 40 FJAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1cccc(C)c1 9582614 WTRUNWMCKPLMMZ-UHFFFAOYSA-N 351.475 4.557 0 40 FJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccc1Cl 10139663 FVWOFYKPQXICQX-UHFFFAOYSA-N 367.880 4.639 0 40 FJAB COc1cc(Cl)c(NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 10427158 ATMFJXQBKCHQQO-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1C 10641824 QTJPAGAYVVUMBL-UHFFFAOYSA-N 370.456 4.813 0 40 FJAB Cc1cc(C)cc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c1 12902439 IUDNYXWPVAIHGD-UHFFFAOYSA-N 365.449 4.596 0 40 FJAB C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 13019435 JCFGCIYPISFCRI-ACJLOTCBSA-N 358.279 4.746 0 40 FJAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)n1 13495367 ZITFNIJDYNNISK-HNNXBMFYSA-N 363.461 4.834 0 40 FJAB CC(C)CCn1c([C@H](C)NC(=O)/C=C/c2ccccc2)nc2ccccc21 13597052 UQLHBMBZLBATBN-JKGDOXCYSA-N 361.489 4.973 0 40 FJAB Cc1ccc(Cn2nc(C)c(C(=O)NC3CCCCCC3)c2Cl)cc1 14797453 PGTGURHXBDPSKK-UHFFFAOYSA-N 359.901 4.654 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2cc(Cl)ccc2o1 16752637 YFNLLXYOKSJOOG-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(OC)cc1 19932925 UXUNNHXDFVKGQH-OAQYLSRUSA-N 363.457 4.664 0 40 FJAB Cc1nc(S[C@H]2CCc3ccccc3NC2=O)n(-c2ccccc2)c1C 20744525 VVTXYGXAXFKSQF-IBGZPJMESA-N 363.486 4.535 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 22526370 SCTITPHWBVFVQQ-NRFANRHFSA-N 369.505 4.609 0 40 FJAB c1ccc2c(Oc3ccc(-c4nnco4)cc3)nc(-c3ccncc3)nc2c1 24040939 HJDAHMIKMNOVMV-UHFFFAOYSA-N 367.368 4.534 0 40 FJAB CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)c3ccncc3)cs2)cc1 24834885 MZZQWWHKYVJPOU-AWEZNQCLSA-N 351.475 4.820 0 40 FJAB CCN(Cc1nc(O)c2oc3ccccc3c2n1)Cc1ccc(Cl)s1 26854410 ZHCCAAKPODYHFV-UHFFFAOYSA-N 373.865 4.819 0 40 FJAB CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(CC)cc1 28252108 FMOUOEHWSDEXIC-UHFFFAOYSA-N 361.507 4.927 0 40 FJAB C[C@H](CNC(=O)[C@@H](C)Sc1ccc(F)c(Cl)c1)c1ccccc1 32719104 ULYCUDJHFBEGOP-CHWSQXEVSA-N 351.874 4.880 0 40 FJAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2Cc3ccccc3S2)cc1 32882037 HUGOYPBZINACAY-CTNGQTDRSA-N 367.514 4.856 0 40 FJAB CN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 36768121 ONZSFNFXWKBJER-UHFFFAOYSA-N 371.415 4.708 0 40 FJAB O=C(/C=C/c1ccccc1OC(F)F)N1CC=C(c2ccccc2)CC1 36811499 GFMIUEBLRAQWCW-ZHACJKMWSA-N 355.384 4.617 0 40 FJAB CCCOc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 41025117 XUJIGDHTBGZJEK-UHFFFAOYSA-N 369.852 4.782 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 44837484 DWEDAALFXUZERA-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 44837548 HNHWRAABZOXSSD-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB CCc1cccc(C)c1NC(=O)CNC(c1ccccc1)c1ccccc1 57364151 STJZIDSPSPSXRU-UHFFFAOYSA-N 358.485 4.875 0 40 FJAB CC(C)n1cc(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc21 79489073 VYENYNWNTJIVOO-UHFFFAOYSA-N 369.553 4.580 0 40 FJAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NC2CCCCCCC2)cc1 84692220 AGVWSCRLDGMLCH-KRWDZBQOSA-N 371.525 4.936 0 40 FJAB O=C(NC1CCCC1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96154745 IRFSKLOUJCIQME-UHFFFAOYSA-N 362.477 4.590 0 40 FJAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 103718206 QANVZMKXMRYWGI-IBGZPJMESA-N 364.489 4.638 0 40 FJAB Cc1cc(C)c(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)c(Cl)c1 216798609 WUSRRJWKPXITMD-UHFFFAOYSA-N 371.820 4.637 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219375399 VYSFIXXXKZYHMJ-RBUKOAKNSA-N 367.489 4.879 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1 222673845 FVSHIVRRADZXGI-NRFANRHFSA-N 353.506 4.902 0 40 FJAB COc1ccc(-c2ncc(C(=O)Nc3cccc(Cl)c3C)c(C)n2)cc1 223141023 WZWQGVYUSTXZSZ-UHFFFAOYSA-N 367.836 4.675 0 40 FJAB Fc1ccc(CSCCCNC(=S)Nc2c(F)cccc2F)cc1 225615577 GLUAGZYHBPZLOW-UHFFFAOYSA-N 370.465 4.714 0 40 FJAB CCc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 225807988 PSLPQPPOEATCPE-UHFFFAOYSA-N 355.825 4.524 0 40 FJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(-n2cccc2)cc1 244950876 FPTSVKAADLEDBA-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB Cc1ccc2oc(=Nc3cccc(C[S@@](=O)C4CCCCC4)c3)[nH]c2c1 609739323 ZAGHMUVRIZMZGU-AREMUKBSSA-N 368.502 4.883 0 40 FJAB O=C(c1ccccc1Cl)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646677553 BYFWQUNDYJBVFH-UHFFFAOYSA-N 353.771 4.674 0 40 FJAB 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4.661 0 40 FJAB COc1cc2c(cc1/C=C/C(=O)Nc1cccc(Cl)c1C)O[C@H](C)C2 8327750 KHHWFEUXVZRDLM-ABZNLYFFSA-N 357.837 4.632 0 40 FJAB Cc1ccc(F)c(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 9125623 VWOUCMBSHICDGJ-UHFFFAOYSA-N 365.404 4.731 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 9135078 ZSNJOWUDWGSLGQ-UHFFFAOYSA-N 358.397 4.914 0 40 FJAB O=C(CCc1nc2ccccc2s1)N(Cc1ccccc1F)C1CC1 9449378 CNNGCQYLYKUNFU-UHFFFAOYSA-N 354.450 4.559 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc2ccccc2c1Cl 11657634 NMGANOZZLLISQK-UHFFFAOYSA-N 374.849 4.774 0 40 FJAB CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1nc2ccccc2s1 12795337 ZUXFJGVMXSSZDD-GFCCVEGCSA-N 360.866 4.770 0 40 FJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 13042057 PGFSMNIKIFTDKF-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c12 14205648 WYPBSYOATKQGDB-UHFFFAOYSA-N 361.323 4.680 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3-c3cc(C)n[nH]3)[nH]n2)cc1 19718243 BXACCXIBBXNWQW-UHFFFAOYSA-N 371.444 4.644 0 40 FJAB 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355.488 4.877 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3c4c(cccc24)CC3)c1 9339310 NLZXQETYQNIKQW-CQSZACIVSA-N 358.441 4.580 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(Cl)cc2)s1 11905901 OPSLTEIMXHBETE-UHFFFAOYSA-N 362.907 4.692 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1cccc(Cl)c1Cl 12786354 TXGVXXZRQZHAGS-SOFGYWHQSA-N 364.228 4.807 0 40 FJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@H]1CC=CCC1 12796700 PXBFVZLGBPQSCS-NRFANRHFSA-N 371.484 4.571 0 40 FJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc2c(cc1Cl)OCO2 12922824 UPXGTQFNBAPWGX-UHFFFAOYSA-N 369.804 4.900 0 40 FJAB Cc1nc(COc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)cs1 12995802 ZRYFCTSTXMHXGH-HNNXBMFYSA-N 366.486 4.864 0 40 FJAB COc1cc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OC(C)C 13041804 PPVQUZPJWSHAGU-FPBOJHQQSA-N 365.901 4.844 0 40 FJAB Cc1ccc2cc3c(NC(=O)c4ccccc4)nn(CC(C)C)c3nc2c1 17252878 QFGCKNYRPQDTCB-UHFFFAOYSA-N 358.445 4.801 0 40 FJAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccn1 18091505 ZGVFMMCYQVLDOF-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(Cl)ccc1Cl 18202776 PIZUNAWTOIWFSM-UHFFFAOYSA-N 374.271 4.726 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)C1 20046910 VLLIYTVYPXHALX-IRXDYDNUSA-N 354.469 4.549 0 40 FJAB Cc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)c2ccccn2)o1 21524384 VYESONGGKZEFRT-UHFFFAOYSA-N 350.418 4.617 0 40 FJAB Cc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccc4)c3ncn2n1 21801095 IHFKANISJGYJDL-UHFFFAOYSA-N 353.429 4.660 0 40 FJAB Clc1ccc2c(N3CCC(c4nc5ccccc5[nH]4)CC3)ncnc2c1 22318186 YQVVAFFUZBDAAY-UHFFFAOYSA-N 363.852 4.544 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CN(CC)CC)cc1 22508977 CVTHVPRWGVYUNL-OAQYLSRUSA-N 368.521 4.941 0 40 FJAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccccc2C)c2ccccc2)cc1 22513478 MOXNWAQMENQLDE-AUSIDOKSSA-N 359.469 4.977 0 40 FJAB CSc1ccc(CSCC(=O)N[C@H]2CCCc3ccccc32)cc1 24072946 MQBXAZKKXAWDBV-IBGZPJMESA-N 357.544 4.836 0 40 FJAB Clc1cc2c(c(CSc3nc(-c4ccccc4)c[nH]3)c1)OCOC2 27659878 CYLXXMPUTXSXBB-UHFFFAOYSA-N 358.850 4.889 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 32760421 KAJJNXCQVYYIOI-HXUWFJFHSA-N 350.462 4.730 0 40 FJAB C[C@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)n1cnc2ccccc21 32914277 JTSUDDIDMWRRNQ-IUODEOHRSA-N 371.893 4.604 0 40 FJAB CCCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12 36618448 UYFKMFVGFJPLLE-UHFFFAOYSA-N 361.401 4.598 0 40 FJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1C1CCCCC1 40271603 CPUZAXOMLNPYCN-LJQANCHMSA-N 373.500 4.733 0 40 FJAB CCN(CC)[C@H](CNC(=O)Nc1cccc2cnccc12)c1ccsc1 43161606 MNKBUTLAFMZVPQ-LJQANCHMSA-N 368.506 4.501 0 40 FJAB O=C(O)c1cc(/C=C/c2csc(-c3ccccn3)n2)nc2ccccc12 44024295 BNRIWRASFXSGBM-CMDGGOBGSA-N 359.410 4.622 0 40 FJAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(Cl)ccc2n1C 44049487 QJLNJTAYGCMYLS-UHFFFAOYSA-N 373.909 4.828 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1C 44886527 RCGPCWHDYOBEMS-FQEVSTJZSA-N 369.461 4.585 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(C)(C)Oc1ccc(F)cc1 48287660 PFBPBHLFYZGCLE-CQSZACIVSA-N 355.409 4.949 0 40 FJAB COc1ccccc1CNCc1cc2ccccc2nc1N1CCCCC1 58007863 GWAXBMGHRBRTPQ-UHFFFAOYSA-N 361.489 4.524 0 40 FJAB C[C@@H](NCc1csc(C(C)(C)C)n1)c1ccc(NC(=O)C2CC2)cc1 58168268 GIWVYGFROYZRGQ-CYBMUJFWSA-N 357.523 4.640 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 73632164 JBKRTKDSOBGLIX-UHFFFAOYSA-N 357.397 4.849 0 40 FJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccccc1Cl 75172188 MBHUHHGCKXPCAR-UHFFFAOYSA-N 358.760 4.705 0 40 FJAB O=C(Nc1cccc(N2CCCC2)c1)c1cccnc1Oc1ccccc1 84556909 NIMKQQCMHSJCOD-UHFFFAOYSA-N 359.429 4.726 0 40 FJAB Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cc(-c3ccccc3)on1)CCC2 85609702 PRLBTUPRWBEMAY-HNNXBMFYSA-N 368.462 4.648 0 40 FJAB OC1=Nc2ncn(-c3cccc(Cl)c3)c2[C@H](c2cccc(O)c2)SC1 95479768 FUPISEMABJBLMD-KRWDZBQOSA-N 371.849 4.656 0 40 FJAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc2c(Cl)cccc2s1 96343531 MEIZQZZEDORMJF-CZUORRHYSA-N 362.926 4.549 0 40 FJAB biogenic CCOc1ccc(Oc2ccccc2NC(=O)CCc2ccncc2)cc1 104202628 PNDAHEWNUUQVJJ-UHFFFAOYSA-N 362.429 4.844 0 40 FJAB CC1(C)c2cc(Cl)ccc2N(CCc2nn[nH]n2)c2ccc(Cl)cc21 218603801 GQPMJOXQJUGJPG-UHFFFAOYSA-N 374.275 4.527 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219313878 HTIUVXHQPBAHDV-RTBURBONSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 219316458 GUIGRPGDOKHGHL-JOCHJYFZSA-N 369.505 4.689 0 40 FJAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 222738177 MTLLFKIGZXMYTO-GOSISDBHSA-N 369.505 4.643 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 222852651 NIVBDENCSBYRSZ-KBXCAEBGSA-N 373.880 4.834 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2cccc3ccccc23)c1 223160290 GKXPCLGVABSCCG-MRXNPFEDSA-N 363.457 4.667 0 40 FJAB O=C(CCc1cccc2ccccc12)NCc1ccccc1CN1CCCC1 224799949 FVKDYXLVIUTXAK-UHFFFAOYSA-N 372.512 4.685 0 40 FJAB Cc1cc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)ccc1Cl 225093947 WVKUKICFVXNIJB-HNNXBMFYSA-N 358.743 4.742 0 40 FJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225562100 UXJHZOIEEHNXTD-GOSISDBHSA-N 367.489 4.859 0 40 FJAB CCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)c2ccccc21 409120131 RVCAENPCEFAYHS-PTNGSMBKSA-N 372.262 4.755 0 40 FJAB Clc1ccc([C@H](Sc2ncnc3[nH]cnc23)c2ccccc2)cc1 507123380 NDKGQPULNRGBDP-MRXNPFEDSA-N 352.850 4.888 0 40 FJAB Cc1ccc(Oc2c(F)cccc2OC[C@H](N)Cc2ccccc2)cc1 643550387 ZDYXILPFZZVXRD-GOSISDBHSA-N 351.421 4.875 0 40 FJAB O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1sc(=S)n2-c1ccccc1 1078432 CZKBSHCMETULOP-UHFFFAOYSA-N 371.874 4.825 0 40 FJAB O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1300912 RVPMKGRWAQVVAK-OAHLLOKOSA-N 356.834 4.986 0 40 FJAB COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 1447693 CLXARJFIOBTLGD-KRWDZBQOSA-N 372.472 4.843 0 40 FJAB O=C(c1cccnc1Cl)n1cc2c(n1)-c1cc(Cl)ccc1SC2 2151698 RZZSUJNQHQZHCS-UHFFFAOYSA-N 362.241 4.546 0 40 FJAB CCCSc1nc(N2CCCC2)c2c3c(sc2n1)COC(C)(C)C3 2337370 MIIACVMNDXWGKD-UHFFFAOYSA-N 363.552 4.645 0 40 FJAB CC(C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 3360408 PVHXTVPQQHPRCO-FQEVSTJZSA-N 372.896 4.555 0 40 FJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)[C@H]1CCCO1 3455868 IEPNSHZILHEGAP-GOSISDBHSA-N 350.443 4.595 0 40 FJAB CSc1cccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)c1 4585596 QWBSLMHFCKYDKX-MDZDMXLPSA-N 371.849 4.764 0 40 FJAB COc1ccc(NC(=O)C2CCCCC2)cc1NC(=O)C1CCCCC1 6230753 YDIUUUQHTIRSOH-UHFFFAOYSA-N 358.482 4.733 0 40 FJAB Cc1cc(Br)cc(Br)c1NC(=O)c1ccccc1 6281046 UHTJLCNTHCTNBU-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB CCCCNc1nc2ccccc2n1CC(=O)Nc1ccccc1Cl 6590387 UIMGZTFLFHIOMR-UHFFFAOYSA-N 356.857 4.540 0 40 FJAB Cc1ccc(Cn2nccc2NC(=O)Cc2c(Cl)cccc2Cl)cc1 7696851 ZATQJRFIFYQZTM-UHFFFAOYSA-N 374.271 4.728 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCc2sccc2[C@H]1c1cccs1 7947653 AHSMSHBWNXVANT-KRWDZBQOSA-N 361.438 4.876 0 40 FJAB O=C(CCCOc1cccc(Br)c1)Nc1ccc(F)cc1F 7968382 PBLDMMRPYQRLLD-UHFFFAOYSA-N 370.193 4.525 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(C2CC2)nc2ccccc12 8265586 VVUVIUNBPIGSBD-UHFFFAOYSA-N 373.481 4.994 0 40 FJAB COc1ccc(CC(=O)Nc2ccccc2Nc2ccc(OC)cc2)cc1 8710464 OXSFVGNGIFNVFY-UHFFFAOYSA-N 362.429 4.629 0 40 FJAB Cc1cc(C)cc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1 8720036 UQZQAAXNYIIKHK-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1c(F)c(F)c(F)c(F)c1F 8986837 BYBPXHWWCNVPDA-UHFFFAOYSA-N 351.274 4.717 0 40 FJAB Cc1cccc([C@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c1 9225395 MGOJIOAWMTZOHJ-LJQANCHMSA-N 367.452 4.926 0 40 FJAB Cc1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1N1CCCC1=O 10951236 SHFMWRSESIWIKN-UHFFFAOYSA-N 359.882 4.584 0 40 FJAB COc1ccc(C2(NCc3ccc(-n4ccnc4C)cc3)CCCC2)cc1 12143849 ILHXMNBYODMHOT-UHFFFAOYSA-N 361.489 4.748 0 40 FJAB CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n2CC 12546228 CXBUYOYBMAHQJV-UHFFFAOYSA-N 358.438 4.664 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2F)cc1OC 12802327 OJLRLLFJYOWMPF-UHFFFAOYSA-N 355.768 4.668 0 40 FJAB C[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13494997 JMLODLNZWQRZFO-ZDUSSCGKSA-N 367.424 4.664 0 40 FJAB FC(F)(F)c1cc(-c2ccccc2)nnc1N1CCc2ccccc2C1 14113734 GXMSILCUPSXMSW-UHFFFAOYSA-N 355.363 4.725 0 40 FJAB COc1ccc(OC)c(NC(=O)CCCSc2ccc(Cl)cc2)c1 15083222 XOTIFQHVVNOEPE-UHFFFAOYSA-N 365.882 4.868 0 40 FJAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)C1CCCC1 20727578 UBIMTBOIOBLXKC-UHFFFAOYSA-N 374.488 4.575 0 40 FJAB O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 22408866 YDPXIUMQRAYBHB-KOLCDFICSA-N 370.198 4.610 0 40 FJAB COC[C@H](C)n1c(S[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 23074551 LFSLJGJXPABOEB-KBPBESRZSA-N 372.465 4.596 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)noc3C)cc2)cc1 23123997 MVOUUGMCOLZYGK-UHFFFAOYSA-N 350.418 4.963 0 40 FJAB CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3ccncc3)cs2)cc1 24834890 MZZQWWHKYVJPOU-CQSZACIVSA-N 351.475 4.820 0 40 FJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2cccs2)on1 27990549 IJEFKFODWNAEPU-UHFFFAOYSA-N 361.835 4.919 0 40 FJAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1cccc(Cl)c1 28247481 YAQFOXPJGWNJFO-UHFFFAOYSA-N 361.832 4.990 0 40 FJAB CCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c2cccnc12 28293580 WTYXFCIJWMKBFC-AWEZNQCLSA-N 368.408 4.569 0 40 FJAB C[C@@H](SCc1cccc(Br)c1)C(=O)Nc1ccccc1F 36701212 HHEZIOSAAUUZGM-LLVKDONJSA-N 368.271 4.849 0 40 FJAB C[C@@H](NC(=O)Nc1cc(F)ccc1F)c1cccc(Br)c1 40097408 AMXLIKMDDYXFGZ-SECBINFHSA-N 355.182 4.610 0 40 FJAB O=C(NCc1nc2ccccc2s1)Nc1ccc(SC(F)F)cc1 43117753 IRFNSLPNYKMZBU-UHFFFAOYSA-N 365.430 4.933 0 40 FJAB Cc1cccc(C)c1NC(=O)N(C)Cc1ccccc1N1CCCCC1 43358205 RLWCTBMEICCXNE-UHFFFAOYSA-N 351.494 4.958 0 40 FJAB Cc1[nH]c(=S)sc1CC(=O)N(C)Cc1ccc(-c2ccccc2)cc1 45417600 MPQAEHGHPVIRHW-UHFFFAOYSA-N 368.527 4.982 0 40 FJAB Cc1cc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)on1 48333610 WUHNKFUOPMDDAT-UHFFFAOYSA-N 358.438 4.901 0 40 FJAB O=C(/C=C/c1cccc2cccnc12)N1CCC[C@@H]1Cc1cccc(F)c1 71805068 TZQHNNLKRVSTPS-RJRNSMGGSA-N 360.432 4.621 0 40 FJAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 84235586 LUMJTLWADOUQOD-GOSISDBHSA-N 350.487 4.901 0 40 FJAB Fc1cc(-c2ccccc2NCc2nccn2C(F)F)cc(F)c1F 85280671 VAGZAEKIHKZIRU-UHFFFAOYSA-N 353.294 4.975 0 40 FJAB CN(C)C1(CNc2cc(C(F)(F)F)nc3ccccc23)CCCCC1 89313967 FKDIUOMYUWGFIZ-UHFFFAOYSA-N 351.416 4.930 0 40 FJAB c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 102742210 VLUQTNBLGGAGNZ-XXBNENTESA-N 370.408 4.658 0 40 FJAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 107932657 TXMVCDZBQCHBLC-KRWDZBQOSA-N 355.478 4.553 0 40 FJAB O=C(c1ccc2cnccc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1 117176648 LFYRNSVTPYLSKM-UHFFFAOYSA-N 366.848 4.572 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292253 PNDQNHMHBRIURA-KBXCAEBGSA-N 373.880 4.834 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219323674 MWUNGIBOJFYVHL-ZWKOTPCHSA-N 373.880 4.916 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969427 VXGKFPVSUHXVIG-VGSWGCGISA-N 351.490 4.909 0 40 FJAB Cc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C 224040351 WJYXOKBDDISTIZ-UHFFFAOYSA-N 353.506 4.729 0 40 FJAB COc1cccc2cc(C(=O)NCc3nc(C4CCCCC4)cs3)oc12 390829874 HFNDGUZIQNQKJD-UHFFFAOYSA-N 370.474 4.876 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccccc3C)cc2)cc1 409110124 RROWTHRFVYEXIB-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB O=C(O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)CC1 566625487 UJYYGOMDBUOLSR-SFHVURJKSA-N 364.272 4.999 0 40 FJAB COc1cccc2cc(C(=O)NCc3ccc(-c4ccsc4)o3)oc12 575611465 VJWPSRHTIRRBPN-UHFFFAOYSA-N 353.399 4.693 0 40 FJAB O=C(N1CC[C@@H](c2ccc3c(c2)CCO3)C1)C1(c2cccs2)CCCC1 585148855 JWMBHACITKBHCS-GOSISDBHSA-N 367.514 4.511 0 40 FJAB CCn1cc(CN2CCCc3ccccc3N(C)c3ccccc3C2)c(C)n1 2037989096 VNPXRLBJWFZAKP-UHFFFAOYSA-N 374.532 4.928 0 40 FJAB COc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)o2)cc1 2708445 IWMKQXWYOCOGLU-UHFFFAOYSA-N 367.470 4.553 0 40 FJAB Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C=O 3316827 AZICIDPVYKGKEP-UHFFFAOYSA-N 357.207 4.548 0 40 FJAB Cc1ccsc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 3345026 JXIKPPCJRXNBOU-OAHLLOKOSA-N 364.470 4.800 0 40 FJAB CCOc1ccc2nc(NC(=O)c3ccc(SC)cc3OC)sc2c1 3437529 ZOHOKOBLEXCFKZ-UHFFFAOYSA-N 374.487 4.678 0 40 FJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc2ncsc2c1 4088578 SATFPIKPZJJQFJ-UHFFFAOYSA-N 365.439 4.565 0 40 FJAB Cc1nccn1-c1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12 5343397 VDHBCWDXGVIRHN-UHFFFAOYSA-N 365.868 4.841 0 40 FJAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccccc1C(F)(F)F 5885551 RPZXAUQZQYYOFY-UHFFFAOYSA-N 351.349 4.659 0 40 FJAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 5953911 OXWGWSNSZDGUQM-RDTXWAMCSA-N 374.868 4.620 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)[nH]c2c1 5988470 PHLDHJLJBMXCPU-CQSZACIVSA-N 368.868 4.936 0 40 FJAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1cccc3ccccc13)n2C 6246959 HKMFFYFBGDMQJF-QURGRASLSA-N 362.454 4.533 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCCC2=CCCCC2)s1 6590850 QUVRECGOLAGHMA-UHFFFAOYSA-N 358.482 4.807 0 40 FJAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccccc1-c1ccccc1 7289164 XMQYDSRHXZDALG-CYBMUJFWSA-N 365.458 4.733 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2cccc(C)c2)c2cccs2)cc1 7739961 UHURTDFTDBZBLF-OAQYLSRUSA-N 351.471 4.650 0 40 FJAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3ccccc3c1)CC(=O)N2 8770804 ZAXOOTKFOFOPMF-FQEVSTJZSA-N 353.425 4.808 0 40 FJAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9063650 JGZYZCYRIIRBFG-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB CCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1OCC 9498856 IKBBLFUXRAWHSO-ACCUITESSA-N 362.429 4.684 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 10287006 ZRVOQIPRXVSALY-KBPBESRZSA-N 368.433 4.571 0 40 FJAB Cc1ccc(C)c(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 10700813 XWMSIEOMIQVDDM-UHFFFAOYSA-N 350.443 4.501 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)N(Cc1ccco1)c1cccnc1 12516187 VNPHJRGRYYAKIA-UHFFFAOYSA-N 361.228 4.757 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 12755514 KYIDTNHNDDHCRV-SFHVURJKSA-N 369.852 4.736 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 12824604 SWOGZIAIYGUBRA-HNNXBMFYSA-N 370.518 4.537 0 40 FJAB O=C(/C=C/c1ccccc1Br)c1ccc(O)c(CCCl)c1 12906290 UYWQEMYYPVVWJR-FNORWQNLSA-N 365.654 4.832 0 40 FJAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2cc(F)ccc2C)cc1OC 13072130 JYULEGXCQJAXPZ-SOFGYWHQSA-N 363.816 4.847 0 40 FJAB CC(C)c1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 14198906 LSTMUFPSXROUCZ-MRVPVSSYSA-N 360.266 4.619 0 40 FJAB COc1ccc(OC)c([C@@H]2S[C@@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 19927724 XODJCZKRRIESPD-QKKBWIMNSA-N 371.502 4.994 0 40 FJAB 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373.239 4.678 0 40 FJAB CCCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223160445 SWUGLKYWWRNXGM-UHFFFAOYSA-N 353.447 4.555 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223713601 LGWCPPNDRFNSBB-HXUWFJFHSA-N 369.505 4.645 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)s1 224152746 WPPXEMMCGAOANH-ZWKOTPCHSA-N 351.500 4.629 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1CSc1ccc(C)cc1 224340202 BQFLQIVWLWYMSC-UHFFFAOYSA-N 355.503 4.922 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 224984250 PNHVJJYHWCGDJI-UHFFFAOYSA-N 363.910 4.547 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 225224610 YVAGLOFAIMWYRR-RTWAWAEBSA-N 369.505 4.991 0 40 FJAB CC(C)Oc1ccc(NC(=S)NCCSC2CCCCC2)cc1 225358776 IWFSJTVEIXTCPX-UHFFFAOYSA-N 352.569 4.826 0 40 FJAB Cc1ccc(COc2ccccc2-c2nc3ccc(C(=O)O)cc3[nH]2)cc1 256028034 PFWOUBVIMIMRSX-UHFFFAOYSA-N 358.397 4.816 0 40 FJAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1C 408802447 FELNNUNPRPUJPB-UHFFFAOYSA-N 373.885 4.728 0 40 FJAB 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O=C(c1ccccc1)C1CCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 573526279 JUFJSVDUXKBVQJ-UHFFFAOYSA-N 369.490 4.537 0 40 FJAB CCc1ccc(OCCCCn2c([C@@H](O)CC)nc3ccccc32)cc1 1772765522 NHZLESDSNYJFJM-NRFANRHFSA-N 352.478 4.901 0 40 FJAB CCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc23)cc1C 1776003828 CHGRCHDSIGNPIU-UHFFFAOYSA-N 355.459 4.656 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2ccccc2oc1=O 902449 JHKJOWNSVNZKHG-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB Cc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@@H]4C)c(N)c3cc2c1 1342733 CDLZUBMYMFKLKQ-ZDUSSCGKSA-N 373.481 4.932 0 40 FJAB Cc1csc(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)n1 1342982 GALZUIULEADWGU-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)[nH]1 1355709 UUHRDBUSGYEVIR-WFASDCNBSA-N 363.914 4.517 0 40 FJAB CCCCN(C)c1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 1800635 YPQSXLAQUHZFPG-UHFFFAOYSA-N 370.522 4.636 0 40 FJAB CC1=CC(C)(C)Nc2ccc(OC(=O)COc3ccc(Cl)cc3)cc21 2059721 YQXCZCWRNDXVLM-UHFFFAOYSA-N 357.837 4.932 0 40 FJAB CCOC(=O)c1cnn2c(C(F)F)cc(-c3cccc4ccccc34)nc12 2752154 JGZWKYDHWVAPCI-UHFFFAOYSA-N 367.355 4.664 0 40 FJAB O=C(COC(=O)c1cccc2ccccc12)Nc1c(Cl)cccc1Cl 3441423 DUEYODBWWFOQQC-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB Cc1nc(-c2ccccc2OCC(=O)c2ccccc2)n(-c2ccccc2)n1 4676758 CRTAYCUZSDAUIF-UHFFFAOYSA-N 369.424 4.504 0 40 FJAB CCCCC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1 4704444 PPMRNMPPGSPUIH-UHFFFAOYSA-N 367.474 4.986 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nncn3C(C)C)c2cc1C(C)C 5417187 PKYDQDTZCXZZHK-UHFFFAOYSA-N 357.479 4.690 0 40 FJAB O=C(O)CCCCSCCCCCCSCCCCC(=O)O 5501162 WRFIHGPTJCLHPL-UHFFFAOYSA-N 350.546 4.523 0 40 FJAB CCCCOCCCNc1c(C(=O)OCC)cnc2ccc(Cl)cc12 6070306 CEBKIMFWGBLXHR-UHFFFAOYSA-N 364.873 4.684 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 6248946 ADJSFRXLHVMDMU-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB Cc1cccc(CSCC(=O)Nc2ccc(Br)cc2)c1 6338572 DUDYUDZULJVCJY-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB CCc1ccc(/C=C(/C(=O)NCc2ccco2)c2nc3ccccc3[nH]2)cc1 6566870 XHRHBWVCRIJSGC-XMHGGMMESA-N 371.440 4.575 0 40 FJAB CCC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6591606 DWQTYICSZCVPSR-UHFFFAOYSA-N 374.440 4.866 0 40 FJAB COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 6667017 QJPWDGHSTDNORX-UHFFFAOYSA-N 354.409 4.993 0 40 FJAB COc1ccc2c(CC(=O)N3CCCSc4ccccc43)coc2c1 8071349 AKQPLUYGLXYPJT-UHFFFAOYSA-N 353.443 4.513 0 40 FJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccco1 8390223 BVLJYDUYCIXCNC-UHFFFAOYSA-N 371.458 4.591 0 40 FJAB Cc1c(C(=O)NC2CCC(C)CC2)oc2ccc(Br)cc12 8428926 RAMFVHZOMIMRPP-UHFFFAOYSA-N 350.256 4.812 0 40 FJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(c1ccccc1F)C3 8993129 NPIWMIMIZKSOJQ-UHFFFAOYSA-N 373.383 4.956 0 40 FJAB biogenic Cc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 9134473 CNHCLXXDYJRTNM-UHFFFAOYSA-N 372.424 4.559 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)Cc3cccs3)ccc1O2 9134963 VHRILFKJDURCSO-UHFFFAOYSA-N 364.426 4.596 0 40 FJAB O=C1[C@@H]2[C@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 9425894 OGHYAEQLPCICKY-GPVBXEKASA-N 367.448 4.769 0 40 FJAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1 9956287 MGXNLZBBJKQLLH-HGZMWJMZSA-N 356.263 4.826 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 10289308 UBENVCJTZWYTDT-FOIQADDNSA-N 369.461 4.869 0 40 FJAB CC(C)[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1cccs1 12200538 QMQWRPPDAYMXEB-FQEVSTJZSA-N 374.525 4.613 0 40 FJAB C[C@@H]1CCN(C(=O)c2ccccc2Br)c2ccccc2S1 12858810 JVZQMJGIPHIMCX-GFCCVEGCSA-N 362.292 4.980 0 40 FJAB Cc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 12904473 OTKUAERWBBVNEM-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB CN(Cc1ccccc1)Cn1nc(Nc2ccccc2F)sc1=S 12972961 OLRFYYXUNJWSBY-UHFFFAOYSA-N 360.483 4.646 0 40 FJAB Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(Cl)cc(Cl)c21 13107335 UAHUSDPBKOFTDG-MHRQKCLTSA-N 369.298 4.749 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccc(Cl)c1 14004890 GHQHPIMPVPQDRV-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 14112392 ZCVGWJQBVSPODS-UHFFFAOYSA-N 356.422 4.828 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1 14291384 GUYGHTLYLHFUCY-UHFFFAOYSA-N 353.805 4.922 0 40 FJAB CCOc1ccccc1CNC(=O)/C(=C/c1ccccc1)c1ccccc1 20104944 PSPMKVVHROFBAL-OQKWZONESA-N 357.453 4.942 0 40 FJAB Cc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20110197 BCIABSQDQIQJRI-UHFFFAOYSA-N 370.496 4.878 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1OC 20460283 LNAMBNXVAPXNCU-GFCCVEGCSA-N 365.882 4.785 0 40 FJAB O=C(COc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 21944795 GUUNMUCCWYSITD-UHFFFAOYSA-N 369.424 4.557 0 40 FJAB CC(C)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 32649788 UOOZLCUDNUXDDK-UHFFFAOYSA-N 374.366 4.662 0 40 FJAB O=C(Cc1ccccc1Cl)NCc1cccnc1Oc1cccc(F)c1 32924687 OIVGFDJCESRPKT-UHFFFAOYSA-N 370.811 4.525 0 40 FJAB Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1C 39762166 JYGOJBIJGWPKNG-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCSCC1 58407552 ZFUINALZUQEALJ-UHFFFAOYSA-N 368.889 4.744 0 40 FJAB O=C(CC[C@H]1CCCO1)N[C@H](CCCc1ccccc1)c1ccccc1 69924730 VWMAEZURCZCFOI-FGZHOGPDSA-N 351.490 4.826 0 40 FJAB Fc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 72358385 PULPOUZZLQBRGM-SFHVURJKSA-N 365.427 4.801 0 40 FJAB Oc1ccc(C2=CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 95469761 NVGKDTKHMHKBCF-UHFFFAOYSA-N 366.461 4.944 0 40 FJAB COc1ccc(NC(=O)c2ccc(Oc3nccs3)cc2)cc1Cl 96122696 DRLAKAGWXFEKCI-UHFFFAOYSA-N 360.822 4.850 0 40 FJAB CCOc1ccccc1-c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193819 QBFXBNSILYXADV-UHFFFAOYSA-N 362.414 4.665 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 98212172 OHQKGQRCDGGTKU-MRXNPFEDSA-N 371.799 4.506 0 40 FJAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1 106680829 HBGDFHQMBLZLON-GDNBJRDFSA-N 363.360 4.942 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2 222632043 OTUPMWCXQIAZBB-MRXNPFEDSA-N 360.841 4.773 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COC(C)C 224717511 IPVDQTFZRHNLMX-UHFFFAOYSA-N 357.450 4.661 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1C1CCCC1 225005520 HBMLTECTURYZBU-JKSUJKDBSA-N 363.939 4.712 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cc(C)ccc1C 225685283 BHPKEOUVXFIOHH-GOSISDBHSA-N 370.518 4.901 0 40 FJAB C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)no1 534834962 AXKOGKZLBBKBNG-HNNXBMFYSA-N 363.461 4.568 0 40 FJAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1c(C(=O)O)oc2ccccc12 565104590 VAHHKESVVUMOGW-HIFRSBDPSA-N 353.393 4.648 0 40 FJAB c1ccc(-c2nc(N3CCNc4ccccc4C3)nc3ccccc23)cc1 613462300 OSRCHPNADLTSNJ-UHFFFAOYSA-N 352.441 4.729 0 40 FJAB CC[C@H](NC(=O)c1nsc2ccccc12)c1nc(C(F)(F)F)cs1 1126538656 XMJORVOCINOVDW-VIFPVBQESA-N 371.409 4.653 0 40 FJAB COc1ccccc1O[P@](C)(=O)Nc1ccc(Br)cc1 826134 RSCOAJHWXHGQQE-FQEVSTJZSA-N 356.156 4.772 0 40 FJAB O=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1Cl 1392518 VAJZSUVEAJEMCW-GFCCVEGCSA-N 359.212 4.522 0 40 FJAB COc1cccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)c1O 2220483 OYLUERHBMQTRIK-UHFFFAOYSA-N 371.440 4.666 0 40 FJAB Cc1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 3173374 GCLGYYXCURVPTD-UHFFFAOYSA-N 366.214 4.711 0 40 FJAB CSc1nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2s1 3336749 SEWNWQSJFJVMSN-UHFFFAOYSA-N 366.870 4.992 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nnc4ccccn34)c2cc1C(C)C 3505545 PTNKCXNPRYHSSE-UHFFFAOYSA-N 365.458 4.560 0 40 FJAB Cc1ccc(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 3644847 PSKKCYGWADUVJD-UHFFFAOYSA-N 354.409 4.867 0 40 FJAB CCc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N2C)s1 3659501 KCEYOYMYMKDJDY-BOPFTXTBSA-N 356.516 4.532 0 40 FJAB Cc1c(CC(=O)O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 4043558 INLNWRRUOASIJX-UHFFFAOYSA-N 368.772 4.795 0 40 FJAB biogenic O=C(COc1ccc(Cl)cc1)Nc1nc2c(s1)CCc1ccccc1-2 4075755 QXHJGYQMOLYIBO-UHFFFAOYSA-N 370.861 4.580 0 40 FJAB Cc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4965472 RQWBQJSWAKFIEP-UHFFFAOYSA-N 371.868 4.531 0 40 FJAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)cc1c32 5153714 KCYHJTUJNXPPTH-CQSZACIVSA-N 362.473 4.633 0 40 FJAB COc1ccc(CSc2nnc(-c3ccccc3Cl)n2C)cc1F 5448304 CBBFOPGNGSFRPU-UHFFFAOYSA-N 363.845 4.576 0 40 FJAB Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1cccc2ccccc12 5714675 PAYBEAFIGQFYMF-UHFFFAOYSA-N 367.832 4.526 0 40 FJAB CCc1ccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)cc1 5861500 OCBIWIYKFDWSJE-UHFFFAOYSA-N 361.441 4.612 0 40 FJAB COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc(OC)c1 6079052 WMXUVCSQVZYEBX-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(Cl)cc1Cl 6349551 ZGBKKHAHYDRNNL-AWEZNQCLSA-N 369.273 4.761 0 40 FJAB CCc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 7593689 PHHHHWQKDJPKNX-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB Cc1cc(C)cc(-c2nnc(SCc3nc(-c4ccsc4)no3)o2)c1 8174396 POOSQGNVUWXYHX-UHFFFAOYSA-N 370.459 4.757 0 40 FJAB CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 8654014 PXLXGESRKDRKKP-AEFFLSMTSA-N 361.489 4.911 0 40 FJAB Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)c1O 8996159 IZPKNGCQPDYVSP-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB CSc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063245 SIJHPVISIWQARY-UHFFFAOYSA-N 374.937 4.913 0 40 FJAB COc1ccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 11916242 DXCKSIFQVBDJFZ-UHFFFAOYSA-N 353.443 4.612 0 40 FJAB Cc1ccc(-c2cc([C@@H]3CCN(C(=O)CCCc4ccccc4)C3)[nH]n2)cc1 12088219 ZFTDAHWGUPPHFE-OAQYLSRUSA-N 373.500 4.724 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccccn3)on2)cc1 12088738 FWXMGJMKVHEDCI-NRFANRHFSA-N 363.461 4.863 0 40 FJAB COc1cccc(CC(=O)Nc2ccccc2SCC(F)(F)F)c1 12806680 NXYVEUXFXSAESA-UHFFFAOYSA-N 355.381 4.531 0 40 FJAB CC[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(C)cc1 12917890 XQMHXQSMIHIKQR-HXUWFJFHSA-N 366.486 4.912 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 15268704 MYUVAXHUUMUMIE-ZDUSSCGKSA-N 361.445 4.503 0 40 FJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 18255286 CLZRVDOWXIWPMM-INIZCTEOSA-N 359.351 4.559 0 40 FJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2scnc2C)n1 19690586 NNWOWARGFDXFEE-LJQANCHMSA-N 363.486 4.799 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1 25322186 KITAQEZOEPVBAT-ZDUSSCGKSA-N 356.422 4.664 0 40 FJAB CC(C)CCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccccc21 25759944 DPJMUFJRKVUSBG-OAHLLOKOSA-N 371.506 4.645 0 40 FJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1F 28210909 LERSCVDQGDULSF-UHFFFAOYSA-N 357.331 4.935 0 40 FJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCc2sccc2C1 32883746 FAJMYSNGPJICJW-UHFFFAOYSA-N 374.918 4.652 0 40 FJAB C[C@@H](NC(=O)CCCC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 32909214 SKDKJLKDDNARCG-LFPRZYRFSA-N 359.535 4.822 0 40 FJAB CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)C1CCCCC1 44940396 XYGKHGMLMKSJMF-UHFFFAOYSA-N 362.517 4.650 0 40 FJAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(NC2CC2)nc1 57191406 LGYZDLNJWQTTSB-UHFFFAOYSA-N 371.531 4.777 0 40 FJAB O=c1[nH]n(C2CCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(O)=N2 71279828 FDKYGHALGUMVNN-LBPRGKRZSA-N 366.248 4.722 0 40 FJAB Cc1cc(NC(=S)Nc2cc(F)cc(F)c2)ccc1Br 71761084 OETVEXDBSFJUJE-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB O=C(N[C@H](SCc1ccccc1)C(=O)c1ccccc1)c1ccccc1 94992796 MFJMHNUYMFDFLZ-JOCHJYFZSA-N 361.466 4.559 0 40 FJAB O=C(NCCCN1CCCCCC1)c1occc1CSc1ccccc1 97028035 MRJIUITVVOGORP-UHFFFAOYSA-N 372.534 4.568 0 40 FJAB O=C(Nc1ccc2c(c1)oc1ccccc12)Nc1ccn(CC(F)(F)F)n1 97101368 BLRMNTBBQRWSRI-UHFFFAOYSA-N 374.322 4.989 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100069891 OJXVAOKMXYGESR-OSLDLMBLSA-N 374.267 4.785 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166334 USRTXVAINZBSEO-WOJBJXKFSA-N 362.448 4.787 0 40 FJAB CC(=O)c1csc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 129844290 HVTQRQLRYKFACY-INIZCTEOSA-N 355.459 4.517 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)Nc1cccc(Cl)c1 211086130 VMKAYDFBHPWYAW-UHFFFAOYSA-N 370.861 4.954 0 40 FJAB CC(C)c1ccccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 222805489 XGWBJSMGBSJRGP-UHFFFAOYSA-N 351.490 4.670 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 223022585 CWDNMAFDULCYIJ-OXJNMPFZSA-N 359.897 4.943 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223209159 KKTGJMKENXSBAD-IAGOWNOFSA-N 359.469 4.973 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COC(C)C 224722878 TWFCRVQWAOEMOL-HNNXBMFYSA-N 359.441 4.640 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224893393 MMJVEUPKYHSIQW-KRWDZBQOSA-N 367.367 4.944 0 40 FJAB Cc1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1F 225606055 BFTFTDWGDRGXHI-UHFFFAOYSA-N 357.406 4.727 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccccc3)N21 260775083 PDBAWXFILPMOHI-HBGVWJBISA-N 374.513 4.852 0 40 FJAB CCOc1ccccc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409062347 SIDPEMMPYKDRHM-WJDWOHSUSA-N 359.834 4.980 0 40 FJAB CC(C)Cn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 409102548 BBXAVOQMGHRDHU-UHFFFAOYSA-N 358.898 4.942 0 40 FJAB Cc1ccc(C)c(NCc2ccccc2OS(=O)(=O)c2ccccc2)c1 409119946 REWAQWQQXDTOJE-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB Cc1ccc2oc(=Nc3cccc(C[S@](=O)C4CCCCC4)c3)[nH]c2c1 609739324 ZAGHMUVRIZMZGU-SANMLTNESA-N 368.502 4.883 0 40 FJAB Clc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501040212 FWUQZPQECYVWDB-UHFFFAOYSA-N 372.906 4.940 0 40 FJAB O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 537887 WCIBOXFOUGQLFC-UHFFFAOYSA-N 371.427 4.523 0 40 FJAB in-man 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FJAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)on1 12119672 MEIXOALAKNQMRY-KRWDZBQOSA-N 369.396 4.535 0 40 FJAB COc1ccccc1/C=C/CN[C@H](Cc1ccsc1)c1nccs1 12330136 MPNZBCHGDHFMNZ-UKINESCASA-N 356.516 4.800 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 12567263 SPKPUPLMAWOOOW-UHFFFAOYSA-N 354.425 4.595 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1cccc(Cl)c1 12921793 GHBHISJLRYPEKI-UHFFFAOYSA-N 368.868 4.806 0 40 FJAB CC(C)Oc1ccc(NCc2cc3cc(OC(C)C)ccc3[nH]c2=O)cc1 13561594 MUWFCLAYSHZEKO-UHFFFAOYSA-N 366.461 4.715 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 13710457 JJGVTPMUOWNQGC-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 15291620 MSKHYSORVLAYGC-NSHDSACASA-N 356.775 4.648 0 40 FJAB Fc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccnc3)on2)cc1 19339158 BKQDBMYLPSAGDU-HXUWFJFHSA-N 351.425 4.993 0 40 FJAB COc1ccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)cc1 22240767 QBAMKUXSDYUDNN-UHFFFAOYSA-N 357.457 4.642 0 40 FJAB Cc1ccc(-c2nc(COc3ccc(F)cc3Br)no2)cc1 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20040039 PQKQUZNMNLQSOS-NRFANRHFSA-N 363.457 4.712 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F 20455123 RXKBSOONEZOAJT-HNNXBMFYSA-N 370.193 4.523 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 20487227 MAAQPNFZDSJKLO-INIZCTEOSA-N 353.340 4.510 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3cccc4ccccc34)cc12 22228908 GHTCEJDIURWBOQ-CQSZACIVSA-N 359.429 4.990 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3OC)ccc2c1 32716637 HSGSRYXJYMOWGN-INIZCTEOSA-N 363.457 4.619 0 40 FJAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1cccc(F)c1 35647315 OVIHEEUHICTKJK-VGOFMYFVSA-N 350.777 4.510 0 40 FJAB O=C(Nc1ccc(Br)cc1Cl)c1cc(Cl)ccc1O 37389445 UOPADSHREFFSQC-UHFFFAOYSA-N 361.022 4.714 0 40 FJAB in-vitro Cc1ccccc1C(=O)Nc1cc(Cl)c2nc(N)sc2c1Cl 45891558 BUSUJDKXNJYQHL-UHFFFAOYSA-N 352.246 4.746 0 40 FJAB CC(C)(C)[C@H](NCc1csc(-c2ncccn2)n1)c1ccc(F)cc1 53643699 RRTUTIXPJRUFQR-MRXNPFEDSA-N 356.470 4.616 0 40 FJAB COC(=O)N(C)c1ccc(NC(=O)c2sc3ccc(F)cc3c2C)cc1 56450754 PXHOAJJCMIJTPZ-UHFFFAOYSA-N 372.421 4.804 0 40 FJAB CCCn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 59094196 REDHLCSREDHQQM-UHFFFAOYSA-N 362.857 4.891 0 40 FJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2)n1 67296758 OBPOLXYWNFPDDW-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB CCOC(=O)c1c(CC(=O)c2ccccc2)c(-c2ccccc2)n(C)c1C 67340080 KETZPEIUWDSENA-UHFFFAOYSA-N 361.441 4.603 0 40 FJAB CCC(CC)c1cc(CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)on1 72296852 QDWCBQKXFDMMIC-UHFFFAOYSA-N 374.440 4.720 0 40 FJAB Clc1ccc(-c2nc(-n3nc4ccccc4n3)nc3ccccc23)cc1 72314748 PYQLQADSFKZSTE-UHFFFAOYSA-N 357.804 4.684 0 40 FJAB CCc1ccc(-c2nsc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 72427644 HKUIFJNFXYOWSA-UHFFFAOYSA-N 357.866 4.602 0 40 FJAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=NC23CCCC3)CCC1 104133899 JZMUVZCKJLJSDO-UHFFFAOYSA-N 352.463 4.828 0 40 FJAB Cc1cccc(N(C)C(=O)COc2ccc(Cl)c3cccnc23)c1C 108429244 JBQAMOYEYZABRU-UHFFFAOYSA-N 354.837 4.547 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2C[C@H](C)C[C@@H](C)C2)c(C)cc1N 216866405 WUQMNXDSSCVRBA-HUUCEWRRSA-N 351.494 4.620 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219295106 VYVABPQWEXYYFK-QFBILLFUSA-N 367.489 4.743 0 40 FJAB O=C(NCCSCc1c(F)cccc1Cl)c1cc2ccccc2o1 219867535 NZRVXARKXGONAM-UHFFFAOYSA-N 363.841 4.889 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc2c(c1)CCCC2 223072827 OLODNNXBMJCSOX-VGOFRKELSA-N 351.490 4.909 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1 501454877 OBRMQJGRZZHNPK-KRWDZBQOSA-N 353.462 4.836 0 40 FJAB Cc1cccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)c1 632695 NDZJUVKXAHDCEP-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(Cl)cc1Cl 2292346 GUQSDVHHVUVOKL-XTXLJPNXSA-N 373.283 4.631 0 40 FJAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)c1 2369686 IPAYUNIMYVJWJX-UHFFFAOYSA-N 353.805 4.545 0 40 FJAB c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 2911313 AKOFQMJEZDCRRJ-UHFFFAOYSA-N 358.470 4.681 0 40 FJAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)cc1C 3117430 MNUTXCCRYHRUAY-OXQOHEQNSA-N 368.477 4.583 0 40 FJAB biogenic CN(C)[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 3347651 WEAOZQXHRNVZDB-JOCHJYFZSA-N 360.457 4.512 0 40 FJAB COc1ccccc1[C@@]1(CCNCc2ccco2)CCO[C@@H](C(C)C)C1 4043409 RRBSQXXIPSHAEE-YADHBBJMSA-N 357.494 4.541 0 40 FJAB biogenic Cc1cc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)ccc1Cl 4362695 SLTURVUMLVLMAT-UHFFFAOYSA-N 367.942 4.533 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@@H](C)[C@H](C)C3)sc2c1 4686046 MGGCOHQHXRYZCS-RBSFLKMASA-N 374.506 4.691 0 40 FJAB CCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 4895142 BMSOMPZGERLSLY-UHFFFAOYSA-N 371.893 4.569 0 40 FJAB C[C@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971293 ZUDVLCWHSCYNBQ-AWEZNQCLSA-N 356.466 4.905 0 40 FJAB Cc1cc(NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3o2)c1O 4988508 IPEZXATYJXSHIZ-UHFFFAOYSA-N 358.397 4.690 0 40 FJAB CC1=C(/C=C\[C@@H](O)CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)CCC1 5022137 IIIWMUPWTIFDSH-JMEBYUIHSA-N 360.338 4.676 0 40 FJAB CSc1nc(Cl)c2sc3nc(C)c4c(c3c2n1)CC(C)(C)OC4 5065893 HCBVAEJQSCWPJV-UHFFFAOYSA-N 365.911 4.775 0 40 FJAB CCCn1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 5157820 RHPJLCJEZVKRKK-UHFFFAOYSA-N 367.250 4.819 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1c(Cl)cccc1Cl 6583622 JHAHMHRFRMFYMR-MDZDMXLPSA-N 352.217 4.663 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3ccc(-n4nccc4C)cc3)c2)cs1 8189845 KNBBVUYFNNSNCQ-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB Cc1ccc(CSCCNC(=O)[C@H](C)SCc2ccccc2)cc1 8306426 ISFIRSRQSHARFX-KRWDZBQOSA-N 359.560 4.666 0 40 FJAB CCCCN(C)c1ncnc2c1sc1nc(CCC)c3c(c12)CCC3 8625574 HWIOUXFEMKPEKE-UHFFFAOYSA-N 354.523 4.917 0 40 FJAB CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 8722816 AWJOEIVPJCMKHF-WUKNDPDISA-N 370.452 4.611 0 40 FJAB CC(C)[C@H]1C[C@](CCNCc2ccccn2)(Cc2ccccc2)CCO1 8993028 BZGWPDMFUVTYRS-PKTZIBPZSA-N 352.522 4.625 0 40 FJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3F)C2)cc1 9047202 VSHXTIASXYJFNI-IBGZPJMESA-N 367.449 4.955 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(F)cc3)ccc1O2 9134969 DQQFWVOOUCWCMC-UHFFFAOYSA-N 362.360 4.744 0 40 FJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2c(C)cccc2C(C)C)C(C)C)cc1 9514847 UZLNXLXOXVJBSJ-FQEVSTJZSA-N 366.505 4.820 0 40 FJAB CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(C)cc1 11903332 HWKWJCMCDBPSFM-IBGZPJMESA-N 363.486 4.961 0 40 FJAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N[C@H](C)c1ccccn1 12545826 DXOBXEDTAMYPMZ-QGZVFWFLSA-N 353.510 4.599 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12790227 UMJOXORIJXFACE-UHFFFAOYSA-N 352.413 4.589 0 40 FJAB CSc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12790550 IKBQTQBJZIYBRH-UHFFFAOYSA-N 366.490 4.864 0 40 FJAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1cc(Cl)ccc1Cl 12924691 DPRJRBVUDWSAKV-ZDUSSCGKSA-N 374.314 4.509 0 40 FJAB COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1OC 12976733 GRKKTSCFHXOQAI-UHFFFAOYSA-N 361.441 4.859 0 40 FJAB Cc1cc(C)c(NC(=O)COc2cccc3ccc(C)nc23)c(Cl)c1 14339394 DIMVIXHMJSVHBN-UHFFFAOYSA-N 354.837 4.831 0 40 FJAB O=C1C[C@@H](c2cccc(F)c2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15082698 GBFQMEDWARAEJB-AWEZNQCLSA-N 367.401 4.727 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2ncsc2c1 15473171 SBDNSZJWGAFPQT-UHFFFAOYSA-N 350.365 4.587 0 40 FJAB COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c2cccnc12 15840699 JSDLHTWFJOMIST-UHFFFAOYSA-N 364.445 4.693 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccc(C)cc1 20110898 VIUOQYXUHXBLEX-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB CCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20141440 XPKFYRAPDYSRNW-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc21 20501283 MQXGQFDNVCWFFL-UHFFFAOYSA-N 372.424 4.838 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(F)cc1 21595630 FVTYLBLLAQRASM-ACCUITESSA-N 366.417 4.612 0 40 FJAB COc1ccc(Br)cc1/C=C1\Sc2ccccc2NC1=O 21658574 CIZRUWKDXRYISN-DHDCSXOGSA-N 362.248 4.543 0 40 FJAB Cc1ccc(N(CC(=O)c2cccc(Cl)c2)C2=NCCCS2)cc1 28527473 KRSISAJFOSNZBA-UHFFFAOYSA-N 358.894 4.831 0 40 FJAB COc1cc(CN[C@@H]2CCCc3ccccc32)ccc1OCc1ccncc1 30543950 TUJKQPJRUQOJMU-JOCHJYFZSA-N 374.484 4.836 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)cc2C)cc1OCc1cccnc1 32832170 HWPXNMDWIYXWBC-UHFFFAOYSA-N 362.429 4.538 0 40 FJAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 32942978 NWVIUODNLTYTDU-KMPOOHAWSA-N 351.446 4.568 0 40 FJAB O=C1C[C@@H](c2ccc(Cl)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143203 CYFJDOYYZRHSRN-AWEZNQCLSA-N 358.228 4.858 0 40 FJAB CC(C)(C)c1cc(SC[C@H]2CN=C(N)S2)cc(C(C)(C)C)c1O 35327634 ALTFRXAGTGJIFC-GFCCVEGCSA-N 352.569 4.509 0 40 FJAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 46012692 RBGMFHQIAUNANO-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 54362840 UIBXPSMTCKXQNS-AWEZNQCLSA-N 359.853 4.614 0 40 FJAB CCCC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccccc2Cl)c1C 58180898 DIGCGRYAXMHERK-CQSZACIVSA-N 373.884 4.826 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccc(O)cc1 58223082 WAMODOSIFCHHPY-MRXNPFEDSA-N 350.340 4.780 0 40 FJAB O=C1C[C@@H](c2ccco2)c2sc(C(=O)O)c(-c3ccccc3Cl)c2N1 61719224 NZAYMFVFTKXHNX-JTQLQIEISA-N 373.817 4.834 0 40 FJAB CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@H]3CC[C@]12C 65748362 RKXZAKLFWUEYOB-RHDNAEHESA-N 370.489 4.991 0 40 FJAB in-vitro C[C@@H]1CCN(C(=O)c2csc(-c3ccccn3)n2)c2ccccc2S1 66018542 WGVORWPBJHPUQB-CYBMUJFWSA-N 367.499 4.736 0 40 FJAB Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1 71326501 MLBGVRACNPDQDQ-OAHLLOKOSA-N 365.502 4.597 0 40 FJAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1CC1CC1 72370668 TWGNXGZBMVMTCE-QGZVFWFLSA-N 370.562 4.800 0 40 FJAB CNc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)n1 83884218 LFMHLIWGGBYCEU-UHFFFAOYSA-N 353.809 4.821 0 40 FJAB OC1=Nc2ncn(-c3ccccc3)c2[C@H](c2ccc(O)c(Cl)c2)SC1 95479076 WUBHZNWLSSLBEM-KRWDZBQOSA-N 371.849 4.656 0 40 FJAB O=C(O)c1csc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 95929478 JZIYARREMADFOM-UHFFFAOYSA-N 356.247 4.623 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2)C[C@H](c2cccs2)C1 102745959 DTHBEMAZLKBDEV-SJCJKPOMSA-N 364.430 4.760 0 40 FJAB C[C@H](N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 108114880 PTHJUCNHWFUTHB-LZLYRXPVSA-N 357.567 4.927 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1F 222855741 UZWXSSISHUQHLH-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223227124 FLNQBZJXVRMVIM-UHFFFAOYSA-N 369.515 4.943 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223273052 BPRIQQGFUFVXIN-OAHLLOKOSA-N 371.477 4.635 0 40 FJAB COc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C(C)(C)C 224165603 NFOMAVARKZKZQY-UHFFFAOYSA-N 355.478 4.710 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c(C)c1 225469462 ZXRVTMKGJOOJNX-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB COc1cc(C)c(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1C(C)C 225666776 RNDINCIVGMQCIH-KRWDZBQOSA-N 355.478 4.633 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 225717688 WBIBXOPXUPKWGG-INIZCTEOSA-N 358.507 4.758 0 40 FJAB CCCCc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 225814561 JTWQAZBSXMQLPH-UHFFFAOYSA-N 363.461 4.959 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 226268176 YNVMCHCJDMJIBE-MRXNPFEDSA-N 367.493 4.687 0 40 FJAB COc1cccc(C(=S)N2CCCC2)c1OCc1ccccc1Cl 408577835 UQFDXFZYYROJBK-UHFFFAOYSA-N 361.894 4.699 0 40 FJAB CCOc1ccccc1N=c1[nH]c2c(s1)CCc1cc(OC)c(C)cc1-2 408891009 JWMVPOHALZRSNF-UHFFFAOYSA-N 366.486 4.790 0 40 FJAB CCOc1ccc(NCc2ccc(OCC)c(Br)c2)cc1 409113134 DPHWGTVQVIZPKD-UHFFFAOYSA-N 350.256 4.859 0 40 FJAB Cc1cccc2[nH]cc(CC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)c12 513025671 IUYWWQSBVPWPEP-NUZGMZIFSA-N 358.485 4.956 0 40 FJAB O=C(c1ccccc1Br)N1CC[C@@H](c2ccc(Cl)cc2)C1 521931115 RJSYCWNDRKDBKX-CYBMUJFWSA-N 364.670 4.732 0 40 FJAB CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4cc(F)ccc34)ccc2o1 522271471 JDEJKPUCJLXLDN-UHFFFAOYSA-N 351.381 4.753 0 40 FJAB O=C(NCc1cncc(C2CC2)c1)c1ccc2noc(-c3ccccc3)c2c1 575618594 CYNGHGBVXNBQCV-UHFFFAOYSA-N 369.424 4.697 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1 646350 VYELFNAWNSSAQY-UHFFFAOYSA-N 373.522 4.901 0 40 FJAB Brc1ccc(-c2csc3ncnc(N4CCCC4)c23)cc1 1000348 QCNKVYITRXPORU-UHFFFAOYSA-N 360.280 4.721 0 40 FJAB Cc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1 1013144 IJCVDMGFJWMKTR-VGOFMYFVSA-N 351.786 4.617 0 40 FJAB O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1369112 VPDDYYRSEVJSKU-QZTJIDSGSA-N 373.497 4.594 0 40 FJAB CN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773039 AIZGCTKRBBALJB-UHFFFAOYSA-N 361.276 4.577 0 40 FJAB O=c1c2c([nH]c(=S)n1Cc1ccco1)-c1ccccc1CC21CCCC1 2247881 KQCHLXNSIJSRKJ-UHFFFAOYSA-N 364.470 4.582 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c1 2713898 AKKXHNXCDBVKMN-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CCCCc1ccc(-c2nc(NC(=O)CCCC(=O)O)sc2C)cc1 2760392 SJFZCQVKPVGQHF-UHFFFAOYSA-N 360.479 4.655 0 40 FJAB O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)NC1CCCCC1 2949164 HORSVBMDKISBIX-UHFFFAOYSA-N 372.538 4.714 0 40 FJAB COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1 4549680 JMXZWEMMRYTOKP-VHXPQNKSSA-N 370.408 4.926 0 40 FJAB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1c1ccc(O)cc1 4575216 FEAARBLYDZHHIN-IBGZPJMESA-N 350.805 4.817 0 40 FJAB CC(=O)c1cccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1 7029331 JBSGMCJWQZJIGW-UHFFFAOYSA-N 361.441 4.618 0 40 FJAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCCc2ccccc21 8126478 QIWHYQZOGCWXNY-SFHVURJKSA-N 363.288 4.941 0 40 FJAB CCc1ccc(CC)c(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)c1 9341637 IDYNBOJFWVYZQW-UHFFFAOYSA-N 355.825 4.767 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc4cccnc34)o2)cc1 10225545 VXKWOETWJDDOLR-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB CCOc1cc2c(cc1NC(=O)CSc1cc(C)ccc1C)O[C@H](C)C2 11758911 ZBGLFNUJCGFRKR-OAHLLOKOSA-N 371.502 4.756 0 40 FJAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1-c1ccccc1 12551299 NVLAEDQERYRJAC-UHFFFAOYSA-N 355.441 4.904 0 40 FJAB Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccc(Cl)cc1)C3 13563788 VCIGMHDWBWUXQG-UHFFFAOYSA-N 366.892 4.942 0 40 FJAB Cc1nc(-c2ccccc2)nc2sc(C(=O)Nc3nccs3)c(C)c12 13686886 XUGMDQOCBDICMN-UHFFFAOYSA-N 366.471 4.684 0 40 FJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCCO2 14077797 UHFPRFZRNASUQP-UHFFFAOYSA-N 363.413 4.679 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccccc1C(F)(F)F 15581990 YDSCCYBDCWDIHL-UHFFFAOYSA-N 373.422 4.857 0 40 FJAB CC[C@@H]1CCc2sc(C(=O)N3CCN(c4cccc(C)c4)CC3)cc2C1 16280753 AAUMRAKHCZWBSK-QGZVFWFLSA-N 368.546 4.534 0 40 FJAB COc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2Br)cc1 17076392 MHKZCWKGYXBHRL-UHFFFAOYSA-N 373.250 4.534 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)Cc1csc(-c2cccs2)n1 17338234 PVNQUJOQQTUBLM-AWEZNQCLSA-N 356.516 4.552 0 40 FJAB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33741873 SDXLORLTEWQTNK-UHFFFAOYSA-N 364.470 4.999 0 40 FJAB COc1cc([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 33832946 YPQNDHHCUQGPFN-IYMIQRSASA-N 358.434 4.503 0 40 FJAB biogenic,in-vitro CCN(CC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)c1cccc(OC)c1 36392976 CKFRHJHSNKIGLB-SFHVURJKSA-N 354.494 4.642 0 40 FJAB CCc1ccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44839178 PGFSAPBNLSBLDM-UHFFFAOYSA-N 355.441 4.722 0 40 FJAB Clc1ccc(N2CCCC2)c(NCc2nc(-c3cccs3)no2)c1 52928173 SOTPXRVJYSJGRZ-UHFFFAOYSA-N 360.870 4.664 0 40 FJAB CC(C)[C@H](NC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 58268410 HFYULAHLYFGVMU-INIZCTEOSA-N 370.840 4.909 0 40 FJAB COc1cc(CN(C)C(=O)CCCOc2cccc(C)c2)ccc1SC 58294341 CVOKJGNPJKRKSS-UHFFFAOYSA-N 373.518 4.543 0 40 FJAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cs2)o1 65515152 DTCWNWWZGKJSIZ-BXUZGUMPSA-N 356.447 4.700 0 40 FJAB Fc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 72348816 JUZXULJNRYNZIV-FQEVSTJZSA-N 361.464 4.586 0 40 FJAB O=C1N=C(Nc2cccc(OC(F)(F)F)c2)/C(=C/c2ccncc2)S1 72401458 KKMBNJNEMGSROM-JYRVWZFOSA-N 365.336 4.699 0 40 FJAB Cc1cccc(C)c1N1C[C@@H](c2nc(-c3ccccc3Cl)no2)CC1=O 90558893 RXXRSVLBIIZNGL-AWEZNQCLSA-N 367.836 4.527 0 40 FJAB COc1ccc(CC(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1 96118000 AKIBNRDPGXHCNM-SFHVURJKSA-N 368.864 4.566 0 40 FJAB CC(C)c1sc(Cl)nc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 96232422 BRDRLHSVHQETCF-ZDUSSCGKSA-N 374.897 4.774 0 40 FJAB CC(C)(CNC(=O)c1ccc(N2CCCCC2)cc1)c1cccc(F)c1 141555786 LLYCSTBPJFRZIV-UHFFFAOYSA-N 354.469 4.524 0 40 FJAB c1ccc(-c2cnc(Nc3cc(CC[C@@H]4CCCN4)ccn3)s2)cc1 143109038 IZAIMPHQNRCJPJ-KRWDZBQOSA-N 350.491 4.633 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(F)cc1 219327125 WMCJFCVWESMHAG-HXUWFJFHSA-N 373.468 4.521 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222970252 UCEPQOGBAICWJM-VFNWGFHPSA-N 355.453 4.739 0 40 FJAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223169382 LSKVCMZFMGOCKP-SFHVURJKSA-N 369.505 4.643 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 224935368 KLCKSAVHEAUPAD-NRFANRHFSA-N 352.478 4.645 0 40 FJAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC)c(C)c1 225819047 ZUJUYLDAGUMHBV-NRFANRHFSA-N 363.457 4.803 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(F)cc1 408563667 WHONQTGGNRLQJK-ATJXCDBQSA-N 372.440 4.818 0 40 FJAB O=C(Nc1ccc2ccnc(O)c2c1)N1CC2(CCC2)[C@H]1c1ccccc1 572115370 LRJONLNWYVKPCV-LJQANCHMSA-N 359.429 4.700 0 40 FJAB C[C@@H]1CC[C@H](c2noc(C3(c4cccc(OC(F)(F)F)c4)CCC3)n2)O1 624685222 JYGDSDZMFLLCCF-BXUZGUMPSA-N 368.355 4.678 0 40 FJAB O=C(c1cc2ccccc2oc1=O)N(C1CCCCC1)C1CCCCC1 868232 BYNJXIWFIBFBHO-UHFFFAOYSA-N 353.462 4.901 0 40 FJAB CN(C)c1nc(-c2ccccc2)nc2c1sc(=S)n2-c1ccccc1 1440838 QPEIVYOFGNCLFQ-UHFFFAOYSA-N 364.499 4.944 0 40 FJAB Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc(Br)cc12 2638470 KSAAGRRKVWGHSO-UHFFFAOYSA-N 362.198 4.573 0 40 FJAB O=c1[nH]c(Cc2cccs2)nc2scc(-c3ccccc3Cl)c12 3308021 DLOPBPRLYVFTRV-UHFFFAOYSA-N 358.875 4.957 0 40 FJAB O=C(c1ccccc1)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 3422271 KOQMFDYDUFHKOU-UHFFFAOYSA-N 367.448 4.847 0 40 FJAB C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 3422365 HKUHRRTZLCZBIG-LBPRGKRZSA-N 369.804 4.628 0 40 FJAB Cc1cc2oc(=O)cc(CNc3ccc(Br)cc3)c2cc1C 5090124 HBTNMVRRYZZZCQ-UHFFFAOYSA-N 358.235 4.784 0 40 FJAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccccc1Cl 5146296 KFZLNHFEEZZJNM-UHFFFAOYSA-N 360.841 4.575 0 40 FJAB O=C(Nc1ccsc1C(=O)NCc1ccc(Cl)cc1)c1ccccc1 5899716 ATHPDRUXORZKPP-UHFFFAOYSA-N 370.861 4.584 0 40 FJAB C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(-n2ccnc2)cc1 6657713 LRTGSORHGHZERG-GOSISDBHSA-N 359.473 4.562 0 40 FJAB CCNc1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)oc2ccccc12 6823454 IDJSJWLPAYTLDO-UHFFFAOYSA-N 364.445 4.775 0 40 FJAB COc1cccc(CNCc2ccccn2)c1OCc1ccccc1Cl 7276387 LKFGMCSJHQSJCA-UHFFFAOYSA-N 368.864 4.612 0 40 FJAB Clc1ccc(-c2noc(CN3CC=C(c4ccccc4)CC3)n2)cc1 7337548 QQHQUODMXPFHMT-UHFFFAOYSA-N 351.837 4.679 0 40 FJAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 8033812 DQHUSWAIVZDQML-LLVKDONJSA-N 357.759 4.615 0 40 FJAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(Cc3ccccc3)n2)cc1 8042424 ZHSJZMWIPZUZCC-MRXNPFEDSA-N 364.514 4.858 0 40 FJAB Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3)n2C)c1 8320844 NTGQFEKYTRZOHJ-UHFFFAOYSA-N 359.882 4.648 0 40 FJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1C 8762706 CMQLASCECYDZKT-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB Cc1ccc(OCCN2CCC(c3nc4ccccc4s3)CC2)cc1 8991333 AQZHPKWANABPHZ-UHFFFAOYSA-N 352.503 4.863 0 40 FJAB CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccco1 9059970 KQAFOYQSIWXPQR-UHFFFAOYSA-N 362.433 4.904 0 40 FJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2OC)cc1 9314428 MEYZITFFZKQYNH-LJQANCHMSA-N 354.450 4.853 0 40 FJAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 9460285 OMOUBSNVEKFNJQ-INIZCTEOSA-N 359.429 4.502 0 40 FJAB O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccc(F)cc1F 10154899 AENUOJKYRMQYOE-UHFFFAOYSA-N 353.368 4.839 0 40 FJAB c1ccc(-c2nnc(SCc3ccccn3)nc2-c2ccccc2)cc1 10395418 DHCTTYKTPQDLKI-UHFFFAOYSA-N 356.454 4.893 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC(F)F)cc3)o2)cc1 11479675 NDXFHNHQUUNLCR-UHFFFAOYSA-N 372.371 4.823 0 40 FJAB CSc1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 12793198 ILXOJWINSOHNTA-UHFFFAOYSA-N 374.462 4.835 0 40 FJAB CCc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12798284 IYIHZGRPRFYOMV-UHFFFAOYSA-N 357.413 4.947 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN(C(=S)Nc4ccccc4C)C3)[nH]c2c1 13471848 PNWLCSZUPSYDGA-MRXNPFEDSA-N 364.518 4.756 0 40 FJAB COc1ccc([C@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)cc1 13496601 BNSMXFMCHJCBAR-MRXNPFEDSA-N 364.923 4.793 0 40 FJAB CCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CC)cc1 13810772 MHDZPMNQRFTSIL-MRCUWXFGSA-N 354.475 4.876 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 15540406 MEBFPZPOOGWBEN-UHFFFAOYSA-N 355.743 4.960 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3OC)o2)cc1 15867373 ACYMLVNFJWKMSU-UHFFFAOYSA-N 351.402 4.535 0 40 FJAB C[C@@H](NCc1ccc(-c2ccccc2F)o1)c1ccc2c(c1)OCCO2 17311872 XUXQEGUKDVJINY-CQSZACIVSA-N 353.393 4.708 0 40 FJAB O=C(Cc1ccccc1F)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 18235384 VFZJMCXUTLZYSI-JOCHJYFZSA-N 365.473 4.824 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)C1 20492556 QXEUMZNBRMQWHN-WZONZLPQSA-N 362.517 4.726 0 40 FJAB COc1cccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc12 20745281 UXCBDXOUGYHTKU-UHFFFAOYSA-N 353.374 4.731 0 40 FJAB C[C@@]12C[C@@H](NC(=S)N1c1ccc(F)c(F)c1)c1cccc(Cl)c1O2 21117995 DRWAZECFGBGHIT-RHSMWYFYSA-N 366.820 4.553 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1F 21580264 BVKSTAIIJHSVGS-UHFFFAOYSA-N 361.376 4.630 0 40 FJAB Cc1cccnc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258190 GCMKEQPQDCIHJA-UHFFFAOYSA-N 352.821 4.875 0 40 FJAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27662463 KLOLNFLYYVPKNS-SFHVURJKSA-N 356.535 4.613 0 40 FJAB Cc1c(C)n(C[C@@H](O)CN[C@H](C)c2ccccc2)c2c(Cl)cccc12 28296765 NOZOXHKYFNAUCM-QAPCUYQASA-N 356.897 4.623 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccco2)n1)C12CC3CC(CC(C3)C1)C2 32909216 KPGXNCNLYJSGFF-BUBBNXEVSA-N 370.518 4.667 0 40 FJAB Cc1ccc(-c2onc(C)c2C(=O)Nc2nc3ccc(F)cc3s2)cc1 35671965 ZHYMTVALJTVROI-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB COc1cccc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c1 36614105 VIQSEWBPZVJKLI-UHFFFAOYSA-N 351.372 4.916 0 40 FJAB CC(C)c1nnc(NC(=O)c2ccccc2N(C)c2ccccc2)s1 40119827 VKNYHWKPOFRYBJ-UHFFFAOYSA-N 352.463 4.682 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccccc1C 44086775 NCLKFFSUERSNEU-UHFFFAOYSA-N 366.486 4.811 0 40 FJAB CCCn1c(C)cc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)c1C 60777071 HHTRTZLGCXLXMB-UHFFFAOYSA-N 374.897 4.939 0 40 FJAB O=C(Nc1cnccc1Oc1ccccc1)c1ccc(-c2cnco2)cc1 65514717 SJJMAOLCIVVFNL-UHFFFAOYSA-N 357.369 4.781 0 40 FJAB CCOc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760807 IXQQSHROBBKQNG-UHFFFAOYSA-N 356.369 4.793 0 40 FJAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215385 FNJJITFJKSYNPR-GOSISDBHSA-N 359.514 4.778 0 40 FJAB Clc1cccc(-c2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 72350085 IFMTZGWEDIQTIO-KRWDZBQOSA-N 356.897 4.760 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCSCC1 85651698 KKTNOVUDJXSWPJ-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F 89949933 SDKVTPULSQNORU-CQSZACIVSA-N 371.371 4.995 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)CC(C)(C)O2 218940801 LYGVGNIXKZUHSH-SFHVURJKSA-N 373.880 4.754 0 40 FJAB CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219650218 YFHFWOPFNFHXAM-QGZVFWFLSA-N 371.502 4.839 0 40 FJAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc2c(c1)CCCC2 223073138 NCJZLKZISCYAJB-QFIPXVFZSA-N 351.490 4.829 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225377660 YEBJKCKVWHWIRX-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NC12CC3CC(CC(C3)C1)C2 225791594 DAQNDGDTQONQJG-UHFFFAOYSA-N 367.917 4.797 0 40 FJAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@H](C)C1 225901305 VTFCSEPYVVXFIQ-KSFYIVLOSA-N 370.493 4.946 0 40 FJAB CCCCOc1ccc(C(=O)Nc2cc(N)ccc2N(CC)CC)cc1 226261654 OIDPPYKCHIINNO-UHFFFAOYSA-N 355.482 4.546 0 40 FJAB CC[n+]1cc(Br)cc(-c2nc3c(Cl)cccc3s2)c1 226776890 MFBACHJHKCWTRJ-UHFFFAOYSA-N 354.680 4.687 0 40 FJAB CC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 248381899 VINIGKDXHQXFGW-BXLRBYEISA-N 361.441 4.884 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)O)CC[C@H]32)C1 253497452 KXWWWRVUYQUXMN-DGCDZJDUSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro CCN(C[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 257345116 JWPJWGDDEDOKCM-RPUPUWCGSA-N 351.575 4.623 0 40 FJAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)s1 1615159474 VACAFBYTAYQEFK-QAPCUYQASA-N 372.509 4.715 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 682583 OQYIQUBPCAGALK-MRXNPFEDSA-N 353.462 4.804 0 40 FJAB O=C1c2ccccc2C(=O)N1[C@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1699258 INGKDDWHNWSVEQ-FPOVZHCZSA-N 355.393 4.548 0 40 FJAB COc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 1944881 STAIMQWIUGWUDL-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB Cc1ccsc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 3345024 JXIKPPCJRXNBOU-HNNXBMFYSA-N 364.470 4.800 0 40 FJAB Cc1ccc(-n2c(SCc3ccno3)nnc2-c2ccccc2)cc1C 3441568 SOBIZDOIPWBJEY-UHFFFAOYSA-N 362.458 4.831 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2I)cc1Cl 3549003 JRFNHBWTPPLYNV-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1C(F)(F)F 3571315 JURKGCBXRWMLNG-UHFFFAOYSA-N 361.319 4.535 0 40 FJAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(F)c1 4678311 ITZQSXGCDDSHOR-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 4979459 OVOYWHQIIPVUSE-RVSPLBMKSA-N 370.848 4.640 0 40 FJAB Brc1ccccc1-c1nnc(COc2ccc3c(c2)CCC3)o1 5347661 SNQUOQGKFYSORO-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1c(F)c(F)c(F)c(F)c1F 5670667 QEELXVXNCOSUHZ-UHFFFAOYSA-N 356.077 4.941 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C)c(C)c2)c1 6263840 JWZCLCGOXWKHNG-UHFFFAOYSA-N 374.868 4.713 0 40 FJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)cc1 7088723 MVGJNXMWGSEEDS-UHFFFAOYSA-N 364.430 4.641 0 40 FJAB CCCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 7261678 CIGYQSSDSWQIOM-UHFFFAOYSA-N 351.849 4.956 0 40 FJAB COc1ccc2cc(CN[C@@H](C)c3ccc(-n4ccnc4)cc3)ccc2c1 7984348 NGCXNTIJDDFEPB-KRWDZBQOSA-N 357.457 4.885 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8493725 DSNBSAPJHHLLSC-OAHLLOKOSA-N 370.518 4.968 0 40 FJAB CC(=O)c1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1 8724723 SFAHZALVENGXJO-UHFFFAOYSA-N 360.413 4.732 0 40 FJAB C[C@H](Cc1nnc(NC(=O)CSc2ccccc2)s1)c1ccccc1 9095472 MOPCQBCKZCRCTF-CQSZACIVSA-N 369.515 4.615 0 40 FJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 9137452 AHZJWBNXEHYYOO-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB CSc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9613714 LCWDNMYEUIQTSB-ZDUSSCGKSA-N 357.454 4.791 0 40 FJAB CCN(CC)C(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10337742 KMYFWXYTNKRABQ-UHFFFAOYSA-N 366.505 4.863 0 40 FJAB O=C(CNc1ccc(F)c(Cl)c1)N[C@H](c1ccccc1)c1cccs1 11158818 ZGRXNEJENDOBLW-LJQANCHMSA-N 374.868 4.858 0 40 FJAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1ccco1 12777818 AJFREEJOHOKCIT-UHFFFAOYSA-N 372.424 4.851 0 40 FJAB COc1cc(C(C)=O)ccc1OCc1coc(-c2ccc(Cl)cc2)n1 12924318 QVWWJZSANQCSMS-UHFFFAOYSA-N 357.793 4.785 0 40 FJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 13001991 LACVOLPWKLOPRU-AWEZNQCLSA-N 357.413 4.689 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 13948495 RMZXAEXFZJBLSH-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1OC 17305171 HXJXWUFNZYQITE-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cc(-c2cccs2)on1 19369572 LOTAUNLSVDUFGU-GOSISDBHSA-N 366.467 4.984 0 40 FJAB COc1cccc(-c2[nH]ncc2CNC2(c3ccccc3F)CCCC2)c1 19566509 WWCWLJDKYVDMJV-UHFFFAOYSA-N 365.452 4.784 0 40 FJAB Cc1sc2nc(Cc3ccccc3F)[nH]c(=O)c2c1-c1ccc(F)cc1 20370158 BBNVYARTHQJBEU-UHFFFAOYSA-N 368.408 4.829 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 22534907 SUHRDSPDXGGJNT-OAQYLSRUSA-N 351.490 4.634 0 40 FJAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCC[C@H]1Cc1ccccc1 25087628 QQEQROZDOXMQPS-SFHVURJKSA-N 365.864 4.577 0 40 FJAB CN(C(=O)/C=C/c1cccc(Br)c1)[C@H]1CCc2ccccc21 27819081 JUSGUIFCHBOICT-PEKVBPLLSA-N 356.263 4.608 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NCc2ccccc2Br)cc1 30640447 LXOXERHWHOUPEK-ZDUSSCGKSA-N 361.283 4.648 0 40 FJAB CCc1cc(C(=O)Nc2cccc(OCc3ccncc3)c2)sc1C 32916053 CPJDKVZYRCEUDO-UHFFFAOYSA-N 352.459 4.845 0 40 FJAB FC(F)Oc1ccccc1CNCc1c[nH]nc1-c1ccc(Cl)cc1 40039055 GWJBUTUCBNEMLU-UHFFFAOYSA-N 363.795 4.621 0 40 FJAB CC[C@@H](C(=O)N(C)Cc1ccc(Br)s1)c1ccccc1 45906195 JUKVANLACGGWCV-CQSZACIVSA-N 352.297 4.663 0 40 FJAB O=C(/C=C/c1cscn1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 50293055 MXCXKPWZRIYIDM-VYENPZKTSA-N 354.862 4.716 0 40 FJAB COc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(OC)c1 57312979 UKHNWTHBBZCIKE-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CCn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1 72350271 DHVLRAOLWHQFCX-FQEVSTJZSA-N 360.505 4.653 0 40 FJAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(Cl)cc1Cl 80345859 AMNRGXNLBQNSFW-CQSZACIVSA-N 352.261 4.889 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@@H]1CCCC[C@@H]1C(F)(F)F 84614819 IBKLADNAPGXLAL-CABCVRRESA-N 365.355 4.576 0 40 FJAB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(F)cc4)CC3=Nc3ncnn32)cc1 102680212 JELPGDQREQPULZ-IIBYNOLFSA-N 374.419 4.791 0 40 FJAB CCCc1cc(O)n2nc(COc3ccccc3)c(-c3ccccc3)c2n1 102712160 XEFLXSAJYMERMQ-UHFFFAOYSA-N 359.429 4.633 0 40 FJAB Brc1cc(CNCc2csc(Br)c2)cs1 163633203 JWIXWKWLFGDOHG-UHFFFAOYSA-N 367.131 4.624 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 216344663 GXIADZOLNNHQBZ-MRXNPFEDSA-N 369.505 4.811 0 40 FJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 222853117 BXJDFOADAJEPDK-UXHICEINSA-N 368.550 4.769 0 40 FJAB CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc2c(c1)CCCC2 223126871 MNMOUYACKCOPAS-OAQYLSRUSA-N 351.490 4.829 0 40 FJAB CC(C)Oc1cc(C(=O)NCCCc2cccc(F)c2)cc2occc12 223276876 HYGWFOHBVLUMLK-UHFFFAOYSA-N 355.409 4.722 0 40 FJAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)cc1 225595440 BJJMIRZENFBRRZ-OAQYLSRUSA-N 369.461 4.510 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1ccnc(-c2cccs2)c1 225651636 GFXFBTGGHADIEK-BQYQJAHWSA-N 354.862 4.793 0 40 FJAB CO[C@@H](CNC(=O)NCc1cccc2ccccc12)c1ccc(Cl)s1 225709525 OTMLUGHIZHEXBD-INIZCTEOSA-N 374.893 4.742 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSc1ccc(Cl)cc1 408677262 BSGXUKBEEWWPKK-SFHVURJKSA-N 363.910 4.714 0 40 FJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)cc1 409105924 JZMYJSUYOLYKEK-UHFFFAOYSA-N 358.470 4.713 0 40 FJAB Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 897157 QGTISANLWPLXCZ-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@@H]21 934703 HELIMKIEVZVBAQ-XZSJUEPFSA-N 352.434 4.738 0 40 FJAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 1369814 KIDOFKNTYRTJQS-GJZGRUSLSA-N 369.431 4.622 0 40 FJAB CCCn1c(SCc2cccc(Cl)c2)nc(C(F)(F)F)cc1=O 1383392 LMCCWDXDKUKPIL-UHFFFAOYSA-N 362.804 4.618 0 40 FJAB COc1ccc(CNCC[C@H](Cc2ccccc2)c2ccco2)cc1OC 1816755 VCZNVUHJXKMCHR-HXUWFJFHSA-N 365.473 4.803 0 40 FJAB biogenic COc1ccc(-n2c(SCC(C)C)nnc2-c2ccccc2OC)cc1 2616700 LAEPIGHIVWGDLA-UHFFFAOYSA-N 369.490 4.700 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc2ccc(F)cc2s1 2651533 YYRGIMUHBUDIHK-UHFFFAOYSA-N 355.221 4.923 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1C 2723665 WGIDRVQHJCKAKR-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB Cc1cc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)no1 2782666 NVOZBOSXHLIKDD-UHFFFAOYSA-N 358.753 4.705 0 40 FJAB O=C(Cn1cnc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl 5190931 VEQXWQTXDPAPOM-UHFFFAOYSA-N 354.624 4.635 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 5210046 PWQHQBIELYQXPX-ZDUSSCGKSA-N 362.458 4.625 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CC[C@H](C)C2 5235456 MVFKPLGHSDWFLP-OANVXVOSSA-N 373.474 4.603 0 40 FJAB Cc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 5555748 NBKKXJSRRXCERI-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB CN(C)Cc1ccc([C@]2(O)c3ccccc3CSc3ccccc32)cc1 6637778 DMVZIBMGJAPFSA-QHCPKHFHSA-N 361.510 4.638 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCSc2ccccc21 6847915 YFLGVZNOIPQBFV-IBGZPJMESA-N 350.487 4.844 0 40 FJAB C/C=C/c1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c(OC)c1 8238996 DYONHMOHNWYIKV-NFBGWVBBSA-N 365.429 4.731 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc3cccnc23)c1 8344942 KUGQMSNMCUQBHV-UHFFFAOYSA-N 373.412 4.671 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 8724711 YTHRFJACGMQADI-KRWDZBQOSA-N 365.477 4.693 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3)s2)cc1 8772193 ZHPDDAVHJGUEOP-UHFFFAOYSA-N 370.503 4.924 0 40 FJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(F)cc1 10691842 RRDHFCQLLKJUHZ-FQEVSTJZSA-N 358.416 4.869 0 40 FJAB O=C1C[C@@H](c2cccc(OCc3ccc(F)cc3)c2)c2sccc2N1 12428850 ZJSKHRFOFUDCTR-KRWDZBQOSA-N 353.418 4.940 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12603345 AGBZEPCPOVLGRM-QGZVFWFLSA-N 367.493 4.515 0 40 FJAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 12796436 BPTTWPJZEUVNOF-UHFFFAOYSA-N 371.742 4.579 0 40 FJAB C(=C/c1nn2c(-c3ccc4ccccc4n3)nnc2s1)\c1ccccc1 13688539 OQVAHAGGEUUJOG-JLHYYAGUSA-N 355.426 4.571 0 40 FJAB Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@H]4CCCC[C@@H]43)[nH]2)o1 14198060 VLVWGMXMHWHUKW-ADEBZEFOSA-N 358.511 4.625 0 40 FJAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C 14405287 LCDBVNGZCOWZOW-UHFFFAOYSA-N 370.497 4.537 0 40 FJAB CCOc1cccc(C[C@H]2C(=O)N(CC)c3ccc(Br)cc32)c1 15018181 ZYZTXGPLFKBVMH-QGZVFWFLSA-N 374.278 4.541 0 40 FJAB O=C(Nc1ccccc1)OCC[C@H]1CCCCN1C(=O)Nc1ccccc1 19075430 KGBYSNTWLWXLSW-LJQANCHMSA-N 367.449 4.712 0 40 FJAB Cc1cc(C)n([C@H](C)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)n1 19660640 PAIGIZKCLBFXDS-GFCCVEGCSA-N 374.897 4.785 0 40 FJAB Cc1ccc([C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1 28405719 SNZFYVLILXVGDP-NRFANRHFSA-N 372.493 4.870 0 40 FJAB C[C@@H]1CCCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)C1 29511115 YFFGTHYTDJAJJU-OAHLLOKOSA-N 366.486 4.992 0 40 FJAB COc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCCC(C)C 33000708 RGTRDIAZWRFLLS-UHFFFAOYSA-N 355.434 4.575 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 44856337 VGIYDNIGQNEADS-WIYYLYMNSA-N 368.496 4.532 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)C1CCCC1 48277295 GOBJCDUHZFVUBO-GOSISDBHSA-N 358.463 4.572 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(C)(C)Oc1ccc(F)cc1 48287658 PFBPBHLFYZGCLE-AWEZNQCLSA-N 355.409 4.949 0 40 FJAB CCSc1ccccc1C(=O)Nc1cccc2ccc(-n3ccnc3)nc12 49028064 VMKVLSPVLRHLKR-UHFFFAOYSA-N 374.469 4.785 0 40 FJAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccccc2C)s1 71326572 KFROKQQUHFFOON-UHFFFAOYSA-N 365.502 4.996 0 40 FJAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 71839310 JGFIZHPOOTWFIO-HNNXBMFYSA-N 370.478 4.555 0 40 FJAB CC(C)C[C@@H](NC(=O)NCCc1csc(C(C)C)n1)c1ccccc1 72083160 LIKDUAQEWYPKLH-GOSISDBHSA-N 359.539 4.896 0 40 FJAB C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(Cl)cc1Cl 72310612 ZBSCLXSNMMUSMB-VERVWZFWSA-N 356.318 4.924 0 40 FJAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)c1 89469827 HCFSWRWZMKJHOJ-LJQANCHMSA-N 362.454 4.748 0 40 FJAB Cc1nnc(S[C@@H](C(=O)NC2CCCCCC2)c2ccccc2)s1 95481993 JTIKTFXTMOFJTA-MRXNPFEDSA-N 361.536 4.519 0 40 FJAB CO[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccsc1 96097415 QBLWRDNJTNTGND-KRWDZBQOSA-N 363.910 4.717 0 40 FJAB O=c1oc2ccccc2cc1-c1cn2cnc3sc4c(c3c2n1)CCCC4 98212110 WIJQMNUSYUUZSH-UHFFFAOYSA-N 373.437 4.596 0 40 FJAB CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 102657000 YVXPCRHJKKCHMK-OAHLLOKOSA-N 360.870 4.715 0 40 FJAB CC(C)c1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 222779068 BUPZBMOWOUNAKU-UHFFFAOYSA-N 351.475 4.900 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1 225351828 YCAVBWROLIEXJD-IEBWSBKVSA-N 355.478 4.655 0 40 FJAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C)cc1C 225622193 GSKOJLPSZMTRMU-SFHVURJKSA-N 360.295 4.876 0 40 FJAB COc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672868 KTGMCULXYUVYPW-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB Cc1cccc(CCC2(NC(=S)Nc3cc(C)ccn3)CCCC2)c1 225873706 RZSVQURHWLHBEC-UHFFFAOYSA-N 353.535 4.930 0 40 FJAB CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)c2ccccc12 225916323 BGHLJMSXYIYMTE-UHFFFAOYSA-N 369.461 4.500 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1c1c(Br)cc(N)cc1Br 226316493 QYIJMJWQTKKSOL-RKDXNWHRSA-N 362.109 4.561 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3OC(C)C)N21 260788311 YPNKZMGBUICRDJ-YSGRDPCXSA-N 367.518 4.848 0 40 FJAB Cc1ccc(-c2[nH]c(=Nc3ccccc3C)sc2CC(=O)O)c(C)c1 408889450 HDJUPDUOEXURMF-UHFFFAOYSA-N 352.459 4.528 0 40 FJAB Clc1cccc(-c2noc(CN3CCS[C@@H](c4ccccc4)C3)n2)c1 605155779 ZFEKZWHGWYXOST-QGZVFWFLSA-N 371.893 4.680 0 40 FJAB O[C@@H](CN1CCc2ccccc2[C@@H]1c1ccccc1)c1c(F)cccc1F 731033492 WPKUZDOHTCWQNF-GMAHTHKFSA-N 365.423 4.646 0 40 FJAB COc1ccc(Cl)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 1559608238 LLRZLVGPQCAFEM-OAQYLSRUSA-N 352.865 4.755 0 40 FJAB CC1(C)C[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]2N1c1cccc(F)c1 1615124456 DYTRHBFGOHMCCK-IERDGZPVSA-N 374.450 4.983 0 40 FJAB Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 3329395 RURLCAGFVJFYBG-UHFFFAOYSA-N 351.427 4.519 0 40 FJAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1cccs1 3597689 SPUUGZMAJRZLAO-UHFFFAOYSA-N 373.503 4.530 0 40 FJAB CCCC[C@H](CC)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 4696157 VEGKUQYEWRBROC-ZDUSSCGKSA-N 351.903 4.937 0 40 FJAB COc1ccc(Nc2c(-c3ccc(SC)cc3)nc3cnccn23)cc1 4733445 MAQCTAIWARWSKI-UHFFFAOYSA-N 362.458 4.870 0 40 FJAB Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2cccs2)cc1 4828143 ZDDPMNKGBYSLKY-FOWTUZBSSA-N 368.483 4.528 0 40 FJAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 4846872 NWJQVIAVMMZCKR-UHFFFAOYSA-N 373.452 4.635 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 5094211 CQBZZBXIYOKWBI-INIZCTEOSA-N 353.425 4.788 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)c3ccc(SC)cc3)nc12 5256643 XGCLFNKEJOPRHL-UHFFFAOYSA-N 364.879 4.933 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 5333229 NITNUQIEYYKTQS-UHFFFAOYSA-N 359.385 4.541 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 5511764 WUXPHGFEKXKRGK-UHFFFAOYSA-N 371.849 4.674 0 40 FJAB CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc1 5562284 ILDFHOUNRWMHHK-UHFFFAOYSA-N 367.424 4.745 0 40 FJAB O=C(COC(=O)c1cccc2ccccc12)c1ccc(Br)cc1 5737994 YEDKROPJLVLPTI-UHFFFAOYSA-N 369.214 4.642 0 40 FJAB O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3F)cc(O)c12 6454347 SDOAQNBDHOSUSJ-UHFFFAOYSA-N 362.356 4.884 0 40 FJAB biogenic CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc(Cl)c3)=NN21 6669979 RUVPERIQUYACBW-PKOBYXMFSA-N 358.894 4.963 0 40 FJAB COCCn1c([C@@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 7343673 JVHXYQIOWOIOQM-INIZCTEOSA-N 360.457 4.996 0 40 FJAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 7735654 KXUJRMVECMJPDL-HNNXBMFYSA-N 365.429 4.612 0 40 FJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104444 TWZUCWCIYHZXTL-MRXNPFEDSA-N 373.481 4.864 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8493736 DSNBSAPJHHLLSC-HNNXBMFYSA-N 370.518 4.968 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(F)(F)F 8558615 NRGCWQQUBBZHAI-AWEZNQCLSA-N 353.340 4.510 0 40 FJAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 9062599 HOCWFSORXUFROV-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3nccnc23)c(C)c1 9074828 YUCCKEPAEZGTDC-UHFFFAOYSA-N 360.396 4.663 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 10461562 LCZFBVLOIUYITI-UHFFFAOYSA-N 360.413 4.590 0 40 FJAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccccc4)ccc3C(=O)O2)cc1 12274528 VLGJFICWCYGVSV-OAQYLSRUSA-N 357.409 4.702 0 40 FJAB Fc1cccc(-c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)c1F 12321809 XDYOBGPGZOJGHH-RMKNXTFCSA-N 374.803 4.955 0 40 FJAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 12792559 KJEYVSGMWLBADA-CHWSQXEVSA-N 363.914 4.527 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)cc1 12890357 ATHDVEPRTVMTMQ-KRWDZBQOSA-N 365.351 4.571 0 40 FJAB Cc1occc1-c1nnc(S[C@H](C)c2nnc(-c3cccs3)o2)o1 14169766 DCIUTFANSKOFCV-SECBINFHSA-N 360.420 4.603 0 40 FJAB O=C(NCc1ccc(CN2CCCCC2)cc1)Nc1cccc(Cl)c1 18177362 LXAGHBMLZUZOLZ-UHFFFAOYSA-N 357.885 4.648 0 40 FJAB Cc1ccc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Cl 18182463 XFGXYYYXKYBCPY-OAHLLOKOSA-N 364.898 4.923 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2cscn2)cc1 19179910 LAPPLPSEYPTCLK-UHFFFAOYSA-N 374.849 4.636 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1C 20897454 CBXKUJJMUNYRGL-OAHLLOKOSA-N 372.534 4.928 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccco1 22509950 RNOAZEFTQGFCQL-IBGZPJMESA-N 369.486 4.640 0 40 FJAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)n1 32901984 FSGGXTHVFKFYHI-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H]1c1cccn1C 36403753 RNQJFOKUSFRFHP-JPYJTQIMSA-N 373.500 4.856 0 40 FJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1N1CCCC1 40103765 HFZBMJKARRCJET-CQSZACIVSA-N 359.420 4.790 0 40 FJAB C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cc2ccccc2o1 42711962 VNSOMKVMXGTSGI-CYBMUJFWSA-N 351.450 4.753 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)c(C)o2)cs1 55237635 BQPIKFIBPJGNCE-UHFFFAOYSA-N 359.476 4.725 0 40 FJAB COc1ccc(CNc2ccc(N3CCCCC3)c(Cl)c2)cc1OC 57286614 JIGBDIOHZJIKPU-UHFFFAOYSA-N 360.885 4.960 0 40 FJAB Cc1ccc(-c2noc(CNc3cc(Cl)ccc3N3CCCC3)n2)cc1 70037715 OSHLBUIEPPVADC-UHFFFAOYSA-N 368.868 4.911 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Br)cc2C)cc1F 71325918 YTVAZWDDDIOLJU-UHFFFAOYSA-N 369.259 4.714 0 40 FJAB COc1ccc(OC)c([C@H]2CCCCN2C(=O)OCc2ccccc2)c1 72221896 KZUZDZLGWJNGQK-LJQANCHMSA-N 355.434 4.568 0 40 FJAB OCc1ccc(-c2cccc([C@H]3CCCN(C4CCCCC4)C3)n2)cc1 72348538 SDKVGFRRCZJEQO-FQEVSTJZSA-N 350.506 4.753 0 40 FJAB Cc1nc(C2(NC(=O)Nc3cccc(Cl)c3C)CCCCCC2)no1 75106713 YWHUHEHTOOPGLF-UHFFFAOYSA-N 362.861 4.711 0 40 FJAB C[C@@H](Nc1nc2ccccc2s1)c1cc(F)ccc1N1CCC(O)CC1 78559915 AFCBUYFUKKCICQ-CYBMUJFWSA-N 371.481 4.570 0 40 FJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1cccc(Cl)c1)SCC(O)=N2 79480347 OLNXIKFXJKTDEW-KRWDZBQOSA-N 370.865 4.653 0 40 FJAB CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccccc2Cc2ccccc2)CCO1 95992433 BNYIJLPWPQCOGD-NHCUHLMSSA-N 366.505 4.993 0 40 FJAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc2c(c1)Cc1ccccc1-2 100678782 YPKPHDBEXSYCRU-IMWZJCIKSA-N 373.496 4.918 0 40 FJAB CCCc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 102308084 NKEVONKMIIRLDD-RUXLODGWSA-N 369.505 4.510 0 40 FJAB Cc1ccccc1CSCCNC(=O)COc1ccc(C(C)(C)C)cc1 218929300 LUCRUSCRRDTELR-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 223384830 BIKUJGZVEWFHSC-UKTHLTGXSA-N 351.490 4.809 0 40 FJAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C 224097454 JYHWROVSZWDTRW-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB O=C(CCc1c(Cl)cccc1Cl)NCCCOC1CCCCC1 225359934 HUWUXCMERQSGRV-UHFFFAOYSA-N 358.309 4.782 0 40 FJAB COC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1C 225371319 MRAJLCHHMXYDSJ-UHFFFAOYSA-N 366.244 4.660 0 40 FJAB Cc1cccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1C 225807781 UXWBMOYCDLBPNK-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB C[C@@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1cccc2ccccc12 245237484 KTLOUFPCYIBSBC-HXOBKFHXSA-N 358.485 4.636 0 40 FJAB COc1cccc(CN2[C@H]3CC[C@H]2c2cccnc2C3)c1OC1CCCC1 247937137 VBAZFRHWKXUWDK-UWJYYQICSA-N 364.489 4.673 0 40 FJAB CC1(C)CC[C@H](c2noc(-c3nnc(O)c4ccccc34)n2)c2ccccc21 581479483 DCJNTQYSAYTNTN-HNNXBMFYSA-N 372.428 4.589 0 40 FJAB Cc1nn(C)c(=O)c(-c2nc(CS[C@@H](C)c3ccccc3)cs2)c1C 600602398 OYEBVXOZAXDYNF-AWEZNQCLSA-N 371.531 4.515 0 40 FJAB CC(C)CN1C(=O)C2(CCN(C3CCCC3)CC2)C[C@H]1Cc1ccccc1 2037845732 ILTYRXZXKKANTO-JOCHJYFZSA-N 368.565 4.511 0 40 FJAB COc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 712308 GDEKMIPBMWPTPA-UHFFFAOYSA-N 363.442 4.656 0 40 FJAB COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCC2 715250 KLJWXRGEKGHRFC-UHFFFAOYSA-N 365.454 4.819 0 40 FJAB COc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1OC 837060 DXOUAUPEMFCNPE-UHFFFAOYSA-N 360.457 4.729 0 40 FJAB Cc1cc2cccc(C)c2nc1S[C@@H](C)C(=O)NCc1ccccc1 1346241 RBSPIOHUSDWIOH-INIZCTEOSA-N 350.487 4.649 0 40 FJAB COc1ccccc1CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 2309629 PRRAXJNOJKLTLL-OAQYLSRUSA-N 363.482 4.845 0 40 FJAB biogenic CC(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 2374148 YPFYJOKWYNWRPM-UHFFFAOYSA-N 356.472 4.538 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)OCCOc1c(Cl)cccc1Cl 3443299 RZIQDKUZMZRWOC-UHFFFAOYSA-N 364.228 4.639 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCCc2ccccc21 3447007 DUJLQRKHOBJFBX-GOSISDBHSA-N 365.864 4.642 0 40 FJAB CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc(Cl)cc1)N2 4601638 XXPPHUFAKODRMN-UHFFFAOYSA-N 351.947 4.862 0 40 FJAB CC(C)CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887756 HGHIWXFWEIFLTK-ILWGZMRPSA-N 350.458 4.732 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1 4950424 PRPANTQEIYLJCR-UHFFFAOYSA-N 363.808 4.694 0 40 FJAB COc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)c(OC)c1 5405025 UBFULRQGRYIUNQ-UHFFFAOYSA-N 353.443 4.993 0 40 FJAB COCCCNCC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 6758248 CSNJQYPQMKIACA-IEBWSBKVSA-N 367.961 4.720 0 40 FJAB C[C@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)c1c[nH]c2ccccc12 7108567 FIJJRGWNBLPNRB-JTQLQIEISA-N 362.212 4.903 0 40 FJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc(F)ccc1F 7968397 QBUUYJRJBJGPKL-UHFFFAOYSA-N 357.356 4.607 0 40 FJAB Cc1cccc(CSCC(=O)Nc2ccc(Br)cc2C)c1 9994019 ZWVXHEBWPWPRBK-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc1 10156891 LELLPOKGCDOZRB-QGZVFWFLSA-N 373.456 4.758 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)s1 12562501 JQZICXRJZYYRIW-SOFGYWHQSA-N 369.364 4.596 0 40 FJAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(Cl)ccc1F 13007302 DMBVFQVIEUGYEE-UHFFFAOYSA-N 367.877 4.564 0 40 FJAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)n1 13495365 ZITFNIJDYNNISK-OAHLLOKOSA-N 363.461 4.834 0 40 FJAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 14061784 WMEIEJHPSWBBJE-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB C[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 14169646 OUMWDQFSKRDQDG-OAHLLOKOSA-N 352.459 4.830 0 40 FJAB COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3F)cs2)cc1OC 15605347 DUKBZQOMRPMNNV-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(C(=O)O)cc1 20150975 SMLJWYFBCWCFSL-ZRDIBKRKSA-N 367.788 4.950 0 40 FJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccnn1C(C)C 22290539 VKRMKDCCICUOQR-UHFFFAOYSA-N 360.870 4.802 0 40 FJAB O=C(Nc1ccc(Oc2ncnc3sccc23)cc1)c1cccs1 23380856 HFSYPPAFYJSHOH-UHFFFAOYSA-N 353.428 4.797 0 40 FJAB FC(F)n1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21 31818138 OQEYBRZGVGPGCI-UHFFFAOYSA-N 366.293 4.848 0 40 FJAB COc1ccccc1-c1nc(-c2cc3cccc(OC)c3oc2=O)cs1 58158958 GIGNVEJTKFYDQX-UHFFFAOYSA-N 365.410 4.601 0 40 FJAB O=C(NCCc1cc(F)cc(F)c1)c1ccccc1SC(F)(F)F 60317688 LISVSHJEOVDQGG-UHFFFAOYSA-N 361.335 4.549 0 40 FJAB Cc1nc2nc(SCc3ccc(Cl)cc3Cl)nn2c(C)c1C 60867433 HBEOZHICXQFMQF-UHFFFAOYSA-N 353.278 4.649 0 40 FJAB CC[C@H](C)c1ccc(OCCN2C(=O)[C@@H](C)CNc3ccccc32)cc1 82087126 JYSOUBVVQMBABK-IRXDYDNUSA-N 352.478 4.674 0 40 FJAB COc1ccc(Br)c(C=O)c1OCc1cccc(Cl)c1 95095014 YMIZDHDWZRADSK-UHFFFAOYSA-N 355.615 4.503 0 40 FJAB COC(=O)c1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 216794931 KLSJCKADWYELGX-UHFFFAOYSA-N 352.173 4.597 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)S1 222602974 KTRZODFBJTXRRP-ZMYBRWDISA-N 352.507 4.588 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225537492 VEOPGABFXGKWBP-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 408620877 KLEDEZYOBKSASZ-UHFFFAOYSA-N 373.865 4.617 0 40 FJAB Fc1ccccc1OCc1nc(SCc2cccc3ccccc23)n[nH]1 409386238 RNWGKYXLFSWWKG-UHFFFAOYSA-N 365.433 4.968 0 40 FJAB CCCC(=O)N1CCCCCCCN(C(=O)C(C)C)c2ccccc2C1 2037884988 NZPSAGIKUBCSQP-UHFFFAOYSA-N 358.526 4.768 0 40 FJAB Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3cccc(F)c3)s2)cc1 1345496 CSGXMJJIXLYKCF-UHFFFAOYSA-N 369.465 4.955 0 40 FJAB CC(C)CC(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3053180 OSWRSSMNRVWURR-LBPRGKRZSA-N 358.096 4.611 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c(C)c1 3655956 ZIGIOZIIMXKZIM-UHFFFAOYSA-N 372.424 4.721 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1 4673433 RKHIVZHOQCRVEA-XMMPIXPASA-N 370.496 4.729 0 40 FJAB Cc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C)cc1 4678564 BMFQSPPPHBLPSP-UHFFFAOYSA-N 356.267 4.770 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(N2CCCC2=O)cc1 5439810 VVNFMDHPRVKVPC-UHFFFAOYSA-N 370.452 4.662 0 40 FJAB CCOC(=O)[C@H](Cc1cccc2ccccc12)P(=O)(OCC)OCC 5575502 KXQJPIXJEDIQMQ-SFHVURJKSA-N 364.378 4.580 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(Cl)c1 6908882 DXVKLLFSFULYLL-UHFFFAOYSA-N 359.882 4.872 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 6954739 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Cc1ccc(-c2nnc(SCc3cc(-c4cccs4)on3)n2C)cc1 14138539 TWWATCONDDOAEI-UHFFFAOYSA-N 368.487 4.799 0 40 FJAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1cccs1 16091559 QFQBBWADIRDYPA-ZDUSSCGKSA-N 362.303 4.581 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c(Cl)c1 17076024 SUGBDCZYRGRMLM-UHFFFAOYSA-N 370.861 4.634 0 40 FJAB Cc1nc(C)c(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)s1 19560444 LHMGKTIGSZDBHZ-FQEVSTJZSA-N 368.527 4.538 0 40 FJAB O=C1CS[C@H](c2ccc(OCc3ccccc3)cc2)N1c1nccs1 19927209 VULDTWWNVUAUBM-GOSISDBHSA-N 368.483 4.501 0 40 FJAB CC(=O)Nc1ccc(-c2nc3cc4c(cc3c(C)c2Cl)OCO4)cc1 24513233 XXSHWGAQKYSJLX-UHFFFAOYSA-N 354.793 4.551 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 27581960 MVGOLFWPUITRMP-UHFFFAOYSA-N 355.434 4.808 0 40 FJAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27664513 ZPGDFGDGXIFPET-FQEVSTJZSA-N 356.897 4.605 0 40 FJAB COc1cc(Cl)c(NC(=O)c2cc3c(F)cccc3s2)cc1OC 32883037 UAQNUGKKMLNJCY-UHFFFAOYSA-N 365.813 4.963 0 40 FJAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)=O)c12 40128896 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367.489 4.609 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 223155337 URPULZDXVYJPNR-SFHVURJKSA-N 361.869 4.874 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 224453606 QHXNPLPBJOBJBU-QFIPXVFZSA-N 369.505 4.609 0 40 FJAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1Cl 224474509 VWJWBIGASKNEQJ-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cc2ccncc2)cc1 224617320 JWRMXPOVXLHRLL-FQEVSTJZSA-N 364.420 4.608 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccccc1 225482824 LZDTXFLDRGNSSN-MRXNPFEDSA-N 351.475 4.681 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 225484976 VBYGMYURHOYHLX-IBGZPJMESA-N 367.518 4.560 0 40 FJAB Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1C 225904870 JVQGAUAYLOTANY-IBGZPJMESA-N 370.924 4.832 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 257271622 MZBXMGCRVBFKNN-MRXNPFEDSA-N 355.457 4.635 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257338362 YXAIXNCJIYSCCN-SFHVURJKSA-N 370.468 4.691 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)NCCSc1ccccc1 409185263 VFQCURUZEZWMEI-UHFFFAOYSA-N 351.924 4.731 0 40 FJAB CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CCC2CCCC2)n1 585265140 HJBHROSKNVBUIY-UHFFFAOYSA-N 369.461 4.977 0 40 FJAB O=C(C[C@H]1CCCCO1)N1CCCCCCCc2ccccc2OCCC1 643583884 FAAYLORTGABKRV-OAQYLSRUSA-N 373.537 4.750 0 40 FJAB Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2n1 1258876362 JMDIRHMIRNVKEZ-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 1061296 DDRFWVLMWOFJOR-UHFFFAOYSA-N 351.475 4.679 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2ccc(Br)cc2)c(C)c1 1913987 SBVUKHRDOXMQLM-UHFFFAOYSA-N 362.267 4.864 0 40 FJAB CCCCCc1nnc(NC(=O)CCCOc2ccc(C)cc2C)s1 1914053 YFWSGONXRWAQCV-UHFFFAOYSA-N 361.511 4.685 0 40 FJAB O=C(O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 3334968 NOIXLVHHHWFZJF-UHFFFAOYSA-N 360.485 4.654 0 40 FJAB COc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C)cc2c1 4127556 BJUYMHHFTGJMAI-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2)cc1OC 6470416 WDCOKOSLLFZCAZ-UHFFFAOYSA-N 366.417 4.531 0 40 FJAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6845131 MNTHVNRPJMYGQR-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 6880169 WYWLAPJAYRXGOC-UHFFFAOYSA-N 356.425 4.532 0 40 FJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 6906255 YVXKYTKXTGBEFU-UHFFFAOYSA-N 360.841 4.617 0 40 FJAB O=C(CCc1cccs1)N1CCC(c2nc3ccccc3s2)CC1 7525456 OOYMVUUXHCAQFS-UHFFFAOYSA-N 356.516 4.697 0 40 FJAB COc1cccc(CNC(=O)CSc2cccc3cccc(Cl)c23)c1 8379246 AJZGZXDQSHIXPS-UHFFFAOYSA-N 371.889 4.910 0 40 FJAB COc1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1Cl 9220923 BMVZDTNKVYUGGV-UHFFFAOYSA-N 357.841 4.515 0 40 FJAB COc1ccc(SCC(=O)Nc2nc3c(Cl)cccc3s2)cc1 10219155 YBVMCYGKAAYOKO-UHFFFAOYSA-N 364.879 4.689 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1ccccc1Cc1nc2ccccc2s1 10609191 LKKOYDNPULZHJE-UHFFFAOYSA-N 367.470 4.659 0 40 FJAB COc1ccc2cc(C(=O)Nc3cccc(Br)c3)c(C)nc2c1 12459310 YUUDYSWOVJWHER-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4nc(C)no4)cc3)sc2c1 12781967 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4.571 0 40 FJAB C[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)n1cc(Br)cn1 32610556 CSVZNQRRMSZIFW-CYBMUJFWSA-N 370.250 4.512 0 40 FJAB Cc1cc(Cl)ccc1OC(=O)c1cccc(NC(=O)c2cccnc2)c1 32767521 WKHCVVHSTUZYSD-UHFFFAOYSA-N 366.804 4.515 0 40 FJAB CC1CCN(Cc2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)CC1 32988448 ZQQCYMDVWPRSIL-UHFFFAOYSA-N 373.566 4.530 0 40 FJAB Cc1cccc(C)c1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314147 YXWLDDVXEABPHA-UHFFFAOYSA-N 365.502 4.768 0 40 FJAB COc1ccc([C@@H](NC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1 48324936 ZRNJUEBGXJOECD-QHCPKHFHSA-N 370.452 4.706 0 40 FJAB O=C(Nc1ccccc1Br)c1cnc(-c2cccs2)s1 66265965 MUKCYYFBGITXRY-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72348986 WAWCCUQNMUPCPW-FQEVSTJZSA-N 374.459 4.836 0 40 FJAB COC(=O)Nc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 83891484 FGPLITLEYKPWAP-UHFFFAOYSA-N 362.311 4.571 0 40 FJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1csc2ccccc12 89526058 MZXMTBSBLLCBEE-UHFFFAOYSA-N 366.417 4.934 0 40 FJAB C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102846318 HXFYSWZNANTAMI-GPINWOSQSA-N 357.425 4.552 0 40 FJAB CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 216804634 LRBIVSWNGDIDST-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB COc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1Cl 222574652 AZJFBAHOCMELPL-UHFFFAOYSA-N 356.274 4.524 0 40 FJAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)c1 224088026 WLFLPOVZBOEXOE-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 224129614 PKDAWXGPNUMBQT-GOSISDBHSA-N 369.505 4.563 0 40 FJAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1cccc(Cl)c1 224485261 PYJSXRDANMJPNQ-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccc(Cl)cc1Cl 225427963 YMFYTKWBKGOAAZ-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccccc1 225481967 AFZQLFFRCKPXLV-GOSISDBHSA-N 367.518 4.560 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225637938 WHFDLKHLFHNZIV-INIZCTEOSA-N 358.507 4.536 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225827717 ZNUIDPNFHLOTRQ-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(Cl)c1OCC 408618255 FHMOYWMMDJAKTF-UHFFFAOYSA-N 351.805 4.837 0 40 FJAB CCCN1C(=O)/C(=C\c2cc(OCC)c(OC)cc2C)c2ccccc21 409112225 KVDYMILWUJCLHO-AQTBWJFISA-N 351.446 4.700 0 40 FJAB Cc1cccc(NCc2cccc(OCC(=O)Nc3cccc(C)c3)c2)c1 409259366 YRWNQXSGCSWPNI-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC(C)(CC(F)(F)F)C1 622677027 QYFBLYGYSFKOSB-VIFPVBQESA-N 370.198 4.562 0 40 FJAB CSc1cc(NCCOc2ccc(C(C)(C)C)cc2)nc(SC)n1 1611737717 COURHBGMYIFEIL-UHFFFAOYSA-N 363.552 4.709 0 40 FJAB CC(C)Sc1nncc(-c2cc3c(c(SC(C)C)n2)CCCC3)n1 622406 XMCXYDNCJZIOOI-UHFFFAOYSA-N 360.552 4.813 0 40 FJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1 661919 INENRHICQOWBEB-LLVKDONJSA-N 369.465 4.785 0 40 FJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2F)cc1 2262798 IERZAAUNVCMZLS-UHFFFAOYSA-N 370.387 4.783 0 40 FJAB COc1ccc2[nH]c3c(NCc4ccccc4C(F)(F)F)ncnc3c2c1 2402959 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4.675 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 6667894 QUIPLWBYYXYLOV-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB COc1ccc(C2=NN=C(c3cccc(Cl)c3)c3ccccc3N2)cc1 6973422 NHWDNMLNHXMSBB-UHFFFAOYSA-N 361.832 4.973 0 40 FJAB Cc1c(Cl)cccc1-c1ccc(CNCc2ccc(C(=O)O)cc2)o1 7539132 OXHUCBXIMCBNLZ-UHFFFAOYSA-N 355.821 4.896 0 40 FJAB Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1C 7739298 CVIJORPYAFZMMJ-NRFANRHFSA-N 351.471 4.650 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7928834 ZPQUIIAXVUOBDQ-MJGOQNOKSA-N 365.473 4.634 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928898 CSDYVPHQFYHRGY-LSDHHAIUSA-N 371.864 4.812 0 40 FJAB Cc1ccc(C)c(OCCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8130976 VEMHDQSIIIUPBR-INIZCTEOSA-N 368.502 4.902 0 40 FJAB COc1ccc(OC)c(-c2csc(-c3ccc(OC)c(OC)c3)n2)c1 8343041 VYJMOAQNUWYYDN-UHFFFAOYSA-N 357.431 4.512 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1 9135154 INRLRNPNRUBWBG-UHFFFAOYSA-N 374.396 4.526 0 40 FJAB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)cc1 9212255 AVMMYFQGUWHWMA-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)o1 9252437 SYBNEDODCVUHLE-UHFFFAOYSA-N 368.536 4.967 0 40 FJAB O=c1[nH]c(CN2CCCc3ccccc32)nc2scc(-c3ccccc3)c12 9635990 JNZDYUIRRALZPW-UHFFFAOYSA-N 373.481 4.604 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503827 ZJVIGFGOXRBYHQ-CYBMUJFWSA-N 374.271 4.890 0 40 FJAB O=C(CNc1ccc(F)cc1Cl)N[C@H](c1ccccc1)c1cccs1 11157690 AOBFJLYYZGTYFY-LJQANCHMSA-N 374.868 4.858 0 40 FJAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)cc2c1C 12553247 PBDIUMXCJXTABR-CYBMUJFWSA-N 355.821 4.866 0 40 FJAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3F)cc2)CC1 12559034 NSUVMXSXJKMNEZ-OAHLLOKOSA-N 373.447 4.640 0 40 FJAB c1ccc(Cn2cc(CNCCc3ccco3)c(-c3cccs3)n2)cc1 12741342 KDWFFTQVAQUJEB-UHFFFAOYSA-N 363.486 4.585 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1csc(-c2ccsc2)n1 12979253 VCKQHLPUHIXLNT-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)cc(F)c1 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40 FJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 224088113 BSJOPKTYKHRVMG-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(Cl)c(C)c1 224546338 CPXCSSYJTRGZOY-UHFFFAOYSA-N 373.880 4.862 0 40 FJAB COc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1Cl 225543783 KEHTUBDBZZFINB-UHFFFAOYSA-N 369.317 4.921 0 40 FJAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OCC(C)C 225562159 CEKXYSQNVCJUSJ-UHFFFAOYSA-N 367.489 4.717 0 40 FJAB CCOc1ccc(CCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225621991 BNSMGLXXPJJRBQ-UHFFFAOYSA-N 362.926 4.966 0 40 FJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225895712 CRWPWXKNIBTUOI-NRFANRHFSA-N 358.482 4.803 0 40 FJAB CC(=O)c1cccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)c1 409181318 AZUIMWLFUZQJBJ-UHFFFAOYSA-N 360.409 4.996 0 40 FJAB CCOc1ccc2nc(-c3ccc(NC(=O)N4CCCC4)cc3)sc2c1 515231223 QJFOLGASIRQVIA-UHFFFAOYSA-N 367.474 4.990 0 40 FJAB COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 682228 YUIJWMJGWUHXMI-UHFFFAOYSA-N 365.816 4.832 0 40 FJAB Cc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 1224033 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Cc1cccc(-n2c(-c3ccccc3)nn(CN3CCCCC3)c2=S)c1 4618765 VEBXCLYHPBLDHY-UHFFFAOYSA-N 364.518 4.822 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CCCC4)cc1 4735776 DMIWWQNYXWEYID-UHFFFAOYSA-N 355.459 4.729 0 40 FJAB Cc1cccc(CC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 5137310 QZWUUJQBZNCSBO-UHFFFAOYSA-N 370.905 4.673 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCSc3ccccc32)c1 5176919 CFFOGLNBTVJABQ-SFHVURJKSA-N 355.503 4.851 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1c(Cl)cccc1Cl 5249928 ZVBMDATXWQJOIP-CTDFXDFQSA-N 373.283 4.631 0 40 FJAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccccc3)nc12 5264787 JWQTWIXQVYSARJ-UHFFFAOYSA-N 359.454 4.847 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c(C)c1 6038257 YOCNWXGVBAJZNK-UHFFFAOYSA-N 374.440 4.843 0 40 FJAB Cc1ccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)cc1Cl 6369221 MOHJCVKVAMFZRU-KRWDZBQOSA-N 371.893 4.854 0 40 FJAB CCOc1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1OCC 6964412 YPDSYAVVUULXMF-UHFFFAOYSA-N 364.898 4.624 0 40 FJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 7928916 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Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3CCCCC3)c2n1 21548960 OGZBMYZHPRWMKM-UHFFFAOYSA-N 367.276 4.678 0 40 FJAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1F)N1CCCCC1 35478567 WMBSQQPTHSDLKW-UHFFFAOYSA-N 367.399 4.883 0 40 FJAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 38833337 VZGCPNLIKRYNKH-GOSISDBHSA-N 356.897 4.808 0 40 FJAB Cc1cc(OCC(=O)Nc2cc(C(C)(C)C)ccc2O)cc(C)c1Cl 41091623 MSGKPEAYHVYDLD-UHFFFAOYSA-N 361.869 4.977 0 40 FJAB Cc1ccccc1-c1csc2c(=O)n(Cc3cccc(F)c3)cnc12 44166985 CLEZMRRZBVXAHM-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB Cc1cc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n(C)n1 52796526 IGNMVQXIMMDDTR-UHFFFAOYSA-N 363.446 4.649 0 40 FJAB Fc1cc(Br)ccc1NC(=S)NCCC1=CCCCC1 59112941 CATSKJAOBYGANJ-UHFFFAOYSA-N 357.292 4.765 0 40 FJAB CC[C@@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 61997200 PQJYOVKZDKBTCW-SFHVURJKSA-N 365.498 4.826 0 40 FJAB CCOC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)c(OC)c1 62715673 COAKEAPIUJLWNI-CSKARUKUSA-N 364.800 4.643 0 40 FJAB O=C(CCCc1ccccc1)Nc1cc(Br)ccc1NC1CC1 78968552 XXKHHJOMSDAZAT-UHFFFAOYSA-N 373.294 4.985 0 40 FJAB O=C(C=C(C1CC1)C1CC1)Nc1ccc(N2CCCCC2)c2ccncc12 84358732 WXLLXKOXEQCBFF-UHFFFAOYSA-N 361.489 4.910 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(OC(C)C)c1 113970531 ZLXMXQDZEUZDGL-FQEVSTJZSA-N 355.478 4.564 0 40 FJAB Cc1c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(C(C)C)c1C 222588664 RSKBDVQIEXKVEY-MRFFXTKBSA-N 368.550 4.979 0 40 FJAB CC1(C)C[C@H](NC(=O)COc2ccccc2C(C)(C)C)c2ccccc2O1 222798774 XBQSJUFCPJPXKE-SFHVURJKSA-N 367.489 4.782 0 40 FJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 222884125 PUCYKLJZGUJFIK-PMACEKPBSA-N 368.550 4.771 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1C 222968873 HUFSPTWFUQTWRC-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222968955 AKUJFUWVHADSIQ-LAUBAEHRSA-N 351.490 4.909 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223903523 HKAPFQQQDQMWAQ-AWEZNQCLSA-N 365.395 4.913 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1 224190885 ZQQSSUIBPJPGNV-ROUUACIJSA-N 365.527 4.937 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(F)cc1 408561080 GJPNLWLPCBUIEZ-LNVKXUELSA-N 368.477 4.988 0 40 FJAB O=C(CCC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1cccs1 500614834 XCHIMBBQZSPJDL-QZTJIDSGSA-N 351.471 4.558 0 40 FJAB COc1ccc([C@H](NC(=O)Nc2cccc3[nH]ccc23)C(C)C)cc1OC 604418925 QLSDLHLHTBYIKG-HXUWFJFHSA-N 367.449 4.704 0 40 FJAB Fc1ccccc1[C@@H](F)C1CCN(Cc2cn3cccc(F)c3n2)CC1 685436881 SHOIEOXRUXHBFU-IBGZPJMESA-N 359.395 4.535 0 40 FJAB O=C(Cn1cnc2ccccc21)N[C@@H](CC1CCCCC1)c1ccccc1 1631999563 OLAGTEKEEWUQNZ-NRFANRHFSA-N 361.489 4.864 0 40 FJAB COc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2C)cc1 730159 ZGCCOVUQSUVZAA-UHFFFAOYSA-N 369.442 4.597 0 40 FJAB Cc1sc(NC(=O)COc2ccccc2)nc1-c1ccc(Cl)cc1 937582 PNKQAXRQCDXHRM-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccccc1C 1329968 GUGHICHAHDNVMX-UHFFFAOYSA-N 350.443 4.870 0 40 FJAB Nc1c(Br)cc2c(c1Br)Cc1cc(F)ccc1-2 1574365 LXMPVCZCHQJGHM-UHFFFAOYSA-N 357.020 4.504 0 40 FJAB Cc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1 2737288 RMNYGSNLWZSWTA-UHFFFAOYSA-N 374.469 4.931 0 40 FJAB CCc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1 2806806 QJVGXZUXECHNKJ-UHFFFAOYSA-N 370.412 4.679 0 40 FJAB O=C(OCc1cccc(Oc2ccccc2)c1)c1cc(=O)c2ccccc2o1 3339659 OGNIJLRKWGXALS-UHFFFAOYSA-N 372.376 4.942 0 40 FJAB O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4088782 JVBWNXPOQZUROE-UHFFFAOYSA-N 359.470 4.667 0 40 FJAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccccc3)c12 5543868 PXPJFIUBQNJVMC-UHFFFAOYSA-N 350.414 4.706 0 40 FJAB Cc1cc2oc(-c3ccco3)c(OCc3c(C)noc3C)c(=O)c2cc1C 5580682 NDMZBWBJBNXISQ-UHFFFAOYSA-N 365.385 4.854 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCC4)cc1 6112394 AVVITKVTFURAAK-GFCCVEGCSA-N 369.515 4.608 0 40 FJAB Cc1ccsc1/C=C(/C(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 6648627 PCHWCGYAXJZAQJ-GHRIWEEISA-N 373.481 4.790 0 40 FJAB COc1cccc([C@@H]2CNC3(CCCC3)c3[nH]c4ccccc4c32)c1OC 6941378 WEOGMGPWXZEBBC-KRWDZBQOSA-N 362.473 4.690 0 40 FJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 7419672 AYGWIPTVNYLHGN-SNVBAGLBSA-N 371.441 4.533 0 40 FJAB CSc1ncccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 8341228 XLVDYUGFFMEKBE-UHFFFAOYSA-N 360.442 4.599 0 40 FJAB CCc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10184255 YLYNJQLNIOAYLT-MRXNPFEDSA-N 364.518 4.702 0 40 FJAB CCc1ccccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11211419 QQKBLHKTPCWSBW-UHFFFAOYSA-N 372.472 4.633 0 40 FJAB CCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cccs1 12595199 JUMCIQLPBMCVMA-UHFFFAOYSA-N 371.550 4.589 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1Cl 12762067 YPBNFPLEKDXCCI-UHFFFAOYSA-N 356.834 4.651 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 12918939 RIZUKLZYYVKZDY-UHFFFAOYSA-N 360.866 4.774 0 40 FJAB C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12992685 YETOIUREXXRDSP-IAGOWNOFSA-N 364.464 4.677 0 40 FJAB Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1C 13608679 PTJCIWPJUVPGAD-NRFANRHFSA-N 369.468 4.596 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Br)c1 13709618 SMUHNEWXBODVQD-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB CN(Cn1[nH]c(C(C)(C)C)nc1=S)C(c1ccccc1)c1ccccc1 14197187 UXKVSGMRUMZEDT-UHFFFAOYSA-N 366.534 4.917 0 40 FJAB Cc1csc(N(C(=O)c2ccc(Br)o2)c2ccccc2)n1 14586832 ULXRBSSUNHCSIU-UHFFFAOYSA-N 363.236 4.786 0 40 FJAB COCc1c(C(=O)Nc2nnc(C3CCCCC3)s2)oc2ccccc12 14679180 WQXRNVUOAFNLSD-UHFFFAOYSA-N 371.462 4.731 0 40 FJAB COc1cccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)c1 15390603 DUDSLAILKWFAAY-UHFFFAOYSA-N 365.429 4.965 0 40 FJAB biogenic COc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1-c1ccc(CO)o1 20139430 VBIXNDQUCVZNSJ-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB CC(C)Oc1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 20460291 DJCZOPBYPQVWJM-PXLXIMEGSA-N 361.441 4.924 0 40 FJAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1csc(-c2ccccc2)n1 24832980 WXJURWHMFNHDHZ-STQMWFEESA-N 354.397 4.661 0 40 FJAB O=C(/C=C/c1cc(Br)ccc1F)Nc1nc(C2CC2)cs1 26050519 HGPIVBZBFYNVBY-ZZXKWVIFSA-N 367.243 4.574 0 40 FJAB O=C(Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC1CC1 32644235 HUXYHKMTUIMPMN-UHFFFAOYSA-N 364.232 4.530 0 40 FJAB COc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 32779585 ZAQVPWQGZQRTRQ-UHFFFAOYSA-N 364.367 4.911 0 40 FJAB Cc1ccccc1CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904207 SAGSMIUVPZIRGG-UHFFFAOYSA-N 359.429 4.820 0 40 FJAB COc1cccc(CCC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1 33741022 KCWMXVHYKUPJQM-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)OCc1cccc(F)c1 36648341 MWBOQTLZZPKKRD-UHFFFAOYSA-N 361.825 4.889 0 40 FJAB C[C@H](NC(=O)NCc1ccccc1Cl)c1ccccc1Br 40016090 QOTJGFFSYSVDOH-NSHDSACASA-N 367.674 4.663 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C(F)(F)F)c1 40104402 RHDJCPUYVWOFHR-UEKVPHQBSA-N 371.403 4.610 0 40 FJAB COc1ccccc1-c1csc(NC(=O)c2cc3ccccc3o2)n1 40977839 XOWSODKGMMCGEO-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(OC(C)C)c1 44900978 UPLRQWBDWVHRBE-IBGZPJMESA-N 361.869 4.601 0 40 FJAB CCC[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 72238635 NUEYVOALJKJTHP-GOSISDBHSA-N 364.445 4.664 0 40 FJAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 72329175 VTRVWKLLRPDONV-UHFFFAOYSA-N 373.378 4.588 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@H]1c1nnc(C)o1 95446463 AZIXJZOZGXLGNJ-HNNXBMFYSA-N 362.861 4.525 0 40 FJAB COc1ccc(-c2nn3c(Cc4cccc5ccccc45)nnc3s2)cc1 95471831 DDSBEWDYNPXBIB-UHFFFAOYSA-N 372.453 4.605 0 40 FJAB COC(=O)/C=C(/C)Nc1ccc(Cc2ccc(Br)cc2)cc1 104127925 MZRAGTAHYGZMST-QBFSEMIESA-N 360.251 4.529 0 40 FJAB O=C(NCC1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 224330502 AEMJMUYIFJKFCA-UHFFFAOYSA-N 362.517 4.950 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1 224388626 PHHZLOIJYMREGV-QGZVFWFLSA-N 355.478 4.891 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224643082 OSYPIBRCDRGZEA-UHFFFAOYSA-N 364.533 4.900 0 40 FJAB COc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225298624 HLWDKDRZNFHAGB-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB CC[C@H](CNC(=S)Nc1ccc(OC)c(Cl)c1)Cc1ccccc1 225630957 RAGLEFBASMPULB-AWEZNQCLSA-N 362.926 4.904 0 40 FJAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(Br)c2)cc1 225774100 ADKPRCQTMHRNIE-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cccc2ccccc12)[C@H]1CC12CCOCC2 530657449 JOEJNBXKJQUDPJ-PKTZIBPZSA-N 371.480 4.862 0 40 FJAB COc1cccc2cc(C(=O)NC[C@H](c3ccsc3)c3ccco3)oc12 670473973 LJMZVKRCFLILPE-OAHLLOKOSA-N 367.426 4.658 0 40 FJAB O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc(C2=CCCC2)cc1 1653812397 YXLGMACUTGQRQK-UHFFFAOYSA-N 372.350 4.796 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1O 682975 MRJIUIZNGBJTTC-MRXNPFEDSA-N 359.425 4.674 0 40 FJAB Cc1cccc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)c1 683229 OPRMKAZWGMTQKL-UHFFFAOYSA-N 370.880 4.963 0 40 FJAB O=C(Nc1cccc(Br)c1)Nc1ccccc1Br 777885 JNJXAXHRMNCELX-UHFFFAOYSA-N 370.044 4.856 0 40 FJAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2)nc2ccccc12 3211069 DGGLFHVBTKIMAF-UHFFFAOYSA-N 372.453 4.883 0 40 FJAB CCCN(CC1CC1)C(=O)CSc1nc2cc(Cl)ccc2s1 3426375 OWFHXQZYMQRAII-UHFFFAOYSA-N 354.928 4.690 0 40 FJAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2 3651712 OKEIEIXYDQDGRA-UHFFFAOYSA-N 370.861 4.823 0 40 FJAB aggregator O=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1ccccc1 4050395 KBJLEVFQQSVKEO-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2ccccc2o1 4332563 NKANIQFPUGDVGQ-UHFFFAOYSA-N 351.402 4.660 0 40 FJAB C[C@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 4761603 ORRTWPPRCOXASV-FQEVSTJZSA-N 358.485 4.566 0 40 FJAB COc1ccc(CNCc2ccc(OCc3cccs3)c(OC)c2)cc1 4942914 SDCKLLWERVCUJB-UHFFFAOYSA-N 369.486 4.634 0 40 FJAB O=C(Nc1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 4966493 WADPWXUPXDVREX-UHFFFAOYSA-N 355.438 4.847 0 40 FJAB C[C@H](NC(=O)c1ccccc1Br)C12CC3CC(CC(C3)C1)C2 5443940 RDWXCJZZJYOWFH-UHSVVUDUSA-N 362.311 4.784 0 40 FJAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 5545809 YECFRJWJJJSBCV-AWEZNQCLSA-N 355.869 4.715 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1cccc2ccccc12 5876470 DALHKIMTFHTIAK-JLHYYAGUSA-N 351.833 4.702 0 40 FJAB CNC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 5879382 AFRGVBJYJBLECH-UHFFFAOYSA-N 366.471 4.838 0 40 FJAB Cc1ccc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)cc1 5896389 SFCJEQRCQSHGIH-UHFFFAOYSA-N 364.514 4.800 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)c1 6263847 ROFJAJIEYBDKAU-UHFFFAOYSA-N 365.260 4.913 0 40 FJAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccccc1F 6743357 NBFFFAFFTYDMNV-LJQANCHMSA-N 365.404 4.504 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3F)sc2C)cc1 6788570 KDRZLWZSEHRQJF-UHFFFAOYSA-N 360.385 4.658 0 40 FJAB Fc1ccccc1-c1nnc(SCc2ccc(Br)cc2)o1 7192779 LFIKQOLRWNONBS-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB Cc1csc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 7442693 FERIYQBOJLCSRC-SFHVURJKSA-N 368.527 4.644 0 40 FJAB CN(Cc1ccc(Br)s1)C(=O)Cc1cccc2ccccc12 8036766 GXMZRBXSQOXLPF-UHFFFAOYSA-N 374.303 4.865 0 40 FJAB Cc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 9209956 ODPJEJGUCDRRHU-UHFFFAOYSA-N 374.484 4.812 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)c1 12563466 JKWNXWOURJMYCI-AWEZNQCLSA-N 351.475 4.866 0 40 FJAB CC[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(Cl)cc1 13014371 XIQLVVHGYQPQMA-INIZCTEOSA-N 355.837 4.978 0 40 FJAB O=C(NCCN1CCCCCC1)N1c2ccccc2Sc2ccccc21 13717295 VTRJZXOXOPQRBO-UHFFFAOYSA-N 367.518 4.875 0 40 FJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1ccc2c(c1)CCO2 14141727 DRZXINHJHTZRFO-QPJJXVBHSA-N 362.256 4.600 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)C=C(C)C)ccc21 15187027 SWJIOVDALHRWKK-OAHLLOKOSA-N 364.445 4.651 0 40 FJAB CCN(CC)Cc1ccc(CNC(=O)Cc2cccc3ccccc23)cc1 15617221 BUGPKEWCIJQVQW-UHFFFAOYSA-N 360.501 4.541 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 20528545 COSKHDUVGBUMGJ-UHFFFAOYSA-N 363.413 4.666 0 40 FJAB Cc1cc(C(=O)Nc2c(C)cccc2C)c2c(C)nn(-c3ccccc3)c2n1 20578922 DFQZETCFWYTEAD-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB Cc1occc1-c1nnc(SCc2ccc(-c3ccccc3)cc2)n1N 21332793 QGZFOAGRWLHTGA-UHFFFAOYSA-N 362.458 4.520 0 40 FJAB O=c1nc2c(c(-c3ccccc3)[nH]1)[C@@H](c1cccs1)Nc1ccccc1N2 26770551 BVUNZDNHMRHFRA-LJQANCHMSA-N 372.453 4.757 0 40 FJAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(Cl)cc2)n1C 33873929 HTEWZLKMPQTUGT-UHFFFAOYSA-N 373.909 4.957 0 40 FJAB CC1(C)CC(N(Cc2cccc(F)c2)Cc2ccccn2)CC(C)(C)N1 36740489 YSWCIAYYLBRVKB-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H](c2nc3ccccc3o2)C1 46407730 JTCZUCBOTKYXNE-CYBMUJFWSA-N 372.827 4.569 0 40 FJAB CN(C(=O)c1cc(F)ccc1F)c1ccc(Br)cc1Cl 65865343 IGFUHSGVFXGONF-UHFFFAOYSA-N 360.585 4.657 0 40 FJAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(-c2ccco2)[nH]n1 71800767 VIVYMDQDHDMPNZ-UHFFFAOYSA-N 357.413 4.609 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1NC1CC1 72213749 UHHIZLQRAIJHJU-IBGZPJMESA-N 351.450 4.520 0 40 FJAB CCn1c([C@H](C)NCc2ccn(Cc3ccccc3)c2)nc2ccccc21 97022818 ULZJXKOMINKBIE-SFHVURJKSA-N 358.489 4.757 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 219547098 DGGHJJSCWJZCOA-AVRDEDQJSA-N 369.505 4.983 0 40 FJAB COC(=O)c1cn(C(=O)CSCc2cccc(Cl)c2)c2ccccc12 222570496 AXJNRIBFXBRBPU-UHFFFAOYSA-N 373.861 4.655 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222977018 KNEWEABDBQHAAZ-ROUUACIJSA-N 351.490 4.827 0 40 FJAB Cc1cccc(OCCNC(=O)CCSc2ccc(Cl)cc2)c1C 223900309 OXOJCLAYUNMULF-UHFFFAOYSA-N 363.910 4.634 0 40 FJAB O=C(CCSCc1ccccc1)NCc1cccc(C(F)(F)F)c1 224175514 KMCJNJTZHKCMIP-UHFFFAOYSA-N 353.409 4.645 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224438624 BPTGPERAKORGBU-JOCHJYFZSA-N 360.457 4.777 0 40 FJAB CC[C@H]1N=C(c2ccc(F)cc2)c2cccn2-c2cc(OC)c(OC)cc21 225378299 LXMPIKMBSVMWPI-QGZVFWFLSA-N 364.420 4.936 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1OCC 225651679 YBVKKAYUUFILID-QGZVFWFLSA-N 355.478 4.900 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)c(C)c1 225710811 CWGCYGHQHVZBLG-GOSISDBHSA-N 370.518 4.836 0 40 FJAB CCc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 225718564 WLNLQBMNIXMSCV-QGZVFWFLSA-N 358.507 4.704 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 226267414 WLUUIQWYNSTBKM-INIZCTEOSA-N 367.493 4.689 0 40 FJAB O=C(c1ccsc1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 329376905 LREFQBBSAMQDPV-MRXNPFEDSA-N 371.437 4.695 0 40 FJAB Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)c(C)o1 1615124185 CZZCRNISQJCNRH-PMACEKPBSA-N 370.468 4.698 0 40 FJAB CC(C)C[C@H]1OCCC[C@@H]1Nc1ncnc2c(-c3ccccc3)nsc12 1639820158 FPCQMZKLUQQSQY-JKSUJKDBSA-N 368.506 4.759 0 40 FJAB CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 682715 CIZULCSYQPCRIV-SXGWCWSVSA-N 362.212 4.737 0 40 FJAB Cc1c(Cl)cccc1NC(=O)CC(=O)Nc1cccc(Cl)c1C 829431 HBCQUVHZRCUSIL-UHFFFAOYSA-N 351.233 4.578 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 885945 JIIYEIRHAROXCJ-UHFFFAOYSA-N 359.385 4.541 0 40 FJAB O=C1c2ccccc2C[C@@H]1Sc1ncccc1-c1nc2ccccc2[nH]1 1329598 ADNOSVPRDUYMRF-SFHVURJKSA-N 357.438 4.525 0 40 FJAB CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12)c1ccccc1 2327045 GNCCORWOMGQJOU-CQSZACIVSA-N 370.836 4.740 0 40 FJAB Cc1ccccc1-c1nnc2sc(-c3ccc(Br)cc3)nn12 2366995 CJGVYKFGUGQAIJ-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB O=C(NCCc1ccccc1)c1oc2ccccc2c1COc1ccccc1 2650991 QNVNFEUWSTVNDW-UHFFFAOYSA-N 371.436 4.984 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1 2723692 DTNRSNKRABCSDR-UHFFFAOYSA-N 357.866 4.565 0 40 FJAB O=C1NC(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)S1 3062208 BOKHNUQEKJSCNC-UNOMPAQXSA-N 361.422 4.743 0 40 FJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@H](c3ccc(F)cc3)CN12 4084832 RZECRGIQWCIZHU-CVDCTZTESA-N 368.411 4.998 0 40 FJAB biogenic Fc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccncc3)n2)cc1 5002828 ACINAATZUNRFON-UHFFFAOYSA-N 369.403 4.791 0 40 FJAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)C(C)(C)C)[nH]c(=O)c12 5271977 UYSYXNMXZJEOQN-JTQLQIEISA-N 366.552 4.589 0 40 FJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)o2)cc1 5435174 ZIFVJUOZYMUBLM-CQSZACIVSA-N 368.458 4.807 0 40 FJAB O=c1c(-c2cc3ccccc3o2)c(C(F)(F)F)oc2cc(O)cc(O)c12 5528434 UWYAXNKBBVQCBL-UHFFFAOYSA-N 362.259 4.636 0 40 FJAB COC(=O)[C@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 5605964 SMHHEOSHYIDWJX-HSZRJFAPSA-N 371.480 4.616 0 40 FJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCCCCC2)cc1 5937969 AADFBNIOXOAJSU-UHFFFAOYSA-N 351.450 4.783 0 40 FJAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1cc(C)ccc1C 6743461 BIIZADBLVOUERQ-UHFFFAOYSA-N 363.505 4.550 0 40 FJAB COc1ccc(CNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1 7254010 GLLIKSJHNQHOFI-NSHDSACASA-N 370.301 4.799 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 7668690 PXJYYKQULZKYAX-INIZCTEOSA-N 368.477 4.514 0 40 FJAB Cc1ccc(-c2n[nH]c(SCc3cc(-c4cccs4)on3)n2)cc1 7729845 QIQZUWRHMNUFLJ-UHFFFAOYSA-N 354.460 4.789 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(F)cc1F 7793017 QAADMXCZXIEDCB-UHFFFAOYSA-N 356.397 4.829 0 40 FJAB C[C@H](O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 8714212 RBQIZYFKIYXCMT-LBPRGKRZSA-N 368.260 4.844 0 40 FJAB CSc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 8718856 PKEJGXMLQSFXIF-NSHDSACASA-N 361.417 4.644 0 40 FJAB COc1ccc(OCCn2c(Cc3cccs3)nc3ccccc32)cc1 8787068 BBHFJSIUACGZIW-UHFFFAOYSA-N 364.470 4.776 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C 9827812 MEGCHSBLMFOMSK-UHFFFAOYSA-N 372.424 4.938 0 40 FJAB Cc1cc(OCC(=O)N(Cc2cccs2)c2ccccn2)ccc1Cl 11916526 HGBCQZKAWBWFHP-UHFFFAOYSA-N 372.877 4.717 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1 12435670 WJSLJWGZOUIPHV-UHFFFAOYSA-N 363.244 4.523 0 40 FJAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CC[C@@H]2CCCC[C@@H]2C1 12516242 RUCKHNLLOYUNHN-PKOBYXMFSA-N 371.484 4.949 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1F 12993028 FCXITNJPTDGJIV-UHFFFAOYSA-N 352.390 4.625 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2ncsc2c1 14190273 TUGAVKMLXINREL-NSHDSACASA-N 353.472 4.739 0 40 FJAB Cc1cc([C@H]2CCCCCN2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 19119371 QKSRVUXJRJEXMU-HNAYVOBHSA-N 356.466 4.508 0 40 FJAB c1cncc(-c2nnc(C3CCN(Cc4cccc5ccccc45)CC3)o2)c1 19376371 LDUFUDUCFDZRHO-UHFFFAOYSA-N 370.456 4.664 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(Cl)cc1 20042292 RJTWTHQRYFNNLV-OAHLLOKOSA-N 353.849 4.919 0 40 FJAB Cc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)n1 22258183 KBUIYTKDGSCACV-UHFFFAOYSA-N 352.821 4.875 0 40 FJAB Cc1noc(C)c1CSc1ncccc1C(=O)NC1CCCCCCC1 23177592 QMMTUEKMQIBHCP-UHFFFAOYSA-N 373.522 4.821 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3o2)C1 24695225 ZBWCCOKIZQAUAO-KRWDZBQOSA-N 373.456 4.648 0 40 FJAB CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1 24864376 MMTUJLWKRKTPML-UHFFFAOYSA-N 370.456 4.785 0 40 FJAB CCC(CC)CN(CC)C(=O)c1sc(NC(=O)c2ccco2)cc1C 32263047 VHHRPNQIPZVNKE-UHFFFAOYSA-N 362.495 4.800 0 40 FJAB O=C(CCCc1ccccc1)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32609689 VXLWGRCRZPDLOE-UHFFFAOYSA-N 371.843 4.685 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc2cnccc12 43161815 ZMXXZHNFSMNVJN-UHFFFAOYSA-N 359.351 4.918 0 40 FJAB CCCn1cc(-c2nc(-c3ccc(CC)cc3)no2)c(=O)c2cc(C)ccc21 64963704 ZEFPSQKTXIRZPQ-UHFFFAOYSA-N 373.456 4.999 0 40 FJAB Cc1nccn1-c1ccccc1CNc1ncc(C(F)(F)F)cc1Cl 65504177 CJFDYQLLSNVFHQ-UHFFFAOYSA-N 366.774 4.860 0 40 FJAB COc1ccc(NC(=S)Nc2cc(C)c(Cl)cc2OC)cc1F 71325924 KSFPMNJOUZFOLT-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB Fc1ccc(Cc2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)cc1 71889873 VONATPXRKRTNNE-UHFFFAOYSA-N 372.827 4.549 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c1 72288765 GVLHGSSVYKWQPS-IAGOWNOFSA-N 365.477 4.570 0 40 FJAB CC[C@@](CO)(NCc1csc(-c2ccc(C)cc2)n1)c1ccccc1 72305156 AYXBTLKTBRBRTL-NRFANRHFSA-N 352.503 4.506 0 40 FJAB Cc1ccc(CN2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1C 72376434 RJKYUCMQJXJDES-HXUWFJFHSA-N 359.477 4.569 0 40 FJAB Cc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc(C)n1 84086323 FXBQQMDLIUQSNG-UHFFFAOYSA-N 359.788 4.707 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(Br)cc1 89212743 SNXJVUQISKUVFY-OAHLLOKOSA-N 369.303 4.651 0 40 FJAB C[C@@H]1C/C(=C/c2ccc(C#N)cc2)c2nc3ccccc3c(C(=O)O)c2C1 96767495 UIOWNRMNJKPHTG-MTOJCTJASA-N 354.409 4.928 0 40 FJAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c[nH]c2ccc(F)cc12 115034614 OYXCRIIMQLYLSY-UHFFFAOYSA-N 364.342 4.527 0 40 FJAB CCOc1ccc(NC(=O)NCc2cncc(-c3ccsc3)c2)cc1 206948880 CDOGYGOPYYOGDI-UHFFFAOYSA-N 353.447 4.531 0 40 FJAB COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)oc12 224103452 XLEZJFIQIDQQOC-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1cccc(C)c1 224455528 CVQCVYNPNLDTQO-OAQYLSRUSA-N 363.457 4.501 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)cc1F)CC(C)(C)O2 224481305 CORDJCMIKJZZET-QGZVFWFLSA-N 361.844 4.749 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1 224608071 CHHKERIIZQYKEC-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CC[C@H](C)Oc1c(Br)cc(Br)c2cccnc12 225392244 OANUMLCKUSJYLH-QMMMGPOBSA-N 359.061 4.937 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2ccccc2Cl)cc1 225802355 JXQAMXLUZLUVIT-UHFFFAOYSA-N 366.939 4.817 0 40 FJAB O=C(CCCOc1ccccc1)NCCSCc1ccccc1Cl 408705894 PSRLMAUEPIYXQV-UHFFFAOYSA-N 363.910 4.549 0 40 FJAB O=C(Nc1cccc(Cl)c1)N[C@H](c1cccs1)C1CCOCC1 1565523856 YVNZBQYMORCUIJ-INIZCTEOSA-N 350.871 4.691 0 40 FJAB Cc1ccc(Oc2cc(F)ccc2OC[C@@H](N)Cc2ccccc2)cc1 2037873308 SEHALAAXUGGFQN-IBGZPJMESA-N 351.421 4.875 0 40 FJAB CCN(CC)c1nc(Nc2ccccc2)nc(Nc2cc(C)ccc2C)n1 1446335 UUZIBPKSTPBEBH-UHFFFAOYSA-N 362.481 4.822 0 40 FJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(C(C)C)cc3)NC(=O)CN21 2127132 FYDHLVJROOYLRV-JHUUHBRDSA-N 360.501 4.756 0 40 FJAB biogenic O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1cccc(F)c1 2453534 WUJLYZABAZRDMY-UHFFFAOYSA-N 374.367 4.742 0 40 FJAB Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)n2)cc1C 2745489 NHAOPZYEUMFDQO-UHFFFAOYSA-N 373.456 4.820 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)o1 3283795 BKXKEWZZMLMJJN-UHFFFAOYSA-N 366.545 4.549 0 40 FJAB COc1ccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)cc1 4757724 HONYEMVUVRGKIG-UHFFFAOYSA-N 373.378 4.826 0 40 FJAB CCN(CC)CCN(C(=O)c1ccccc1)c1nc2ccc(C)cc2s1 5121759 KIGLFGUADGIRDK-UHFFFAOYSA-N 367.518 4.593 0 40 FJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccncc1 5870614 XEDZNZPLOZKTSR-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB COc1ccccc1NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 6588283 VHZVJOSFIRLFBH-LBPRGKRZSA-N 358.488 4.690 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 6657338 FIWWWHDIMCMGOA-MHWRWJLKSA-N 372.402 4.610 0 40 FJAB COc1ccc(-c2onc(C)c2-c2ccc(Br)cc2)c(O)c1 6719600 NFMSLGFPTKACEA-UHFFFAOYSA-N 360.207 4.794 0 40 FJAB biogenic CN(C)C(=S)SCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 9379426 HGERNAZITDUJNB-UHFFFAOYSA-N 368.527 4.608 0 40 FJAB Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1C 9690026 UPWYKPJXQHBISY-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB COc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)ccc1C 10428344 PJWFGUGESOKLTF-UHFFFAOYSA-N 357.413 4.595 0 40 FJAB CCCc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12600812 AUKLCPQVNBLWLM-UHFFFAOYSA-N 366.490 4.507 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc(C3CC3)nc21 12789762 ZAQPVTCMZHGBPG-NVXWUHKLSA-N 366.509 4.542 0 40 FJAB C[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(F)c(F)c1 14252734 YITWHDQSQSYDNE-NSHDSACASA-N 365.470 4.934 0 40 FJAB O=C(CSc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 14789993 FEXDCAFQUQCGTJ-UHFFFAOYSA-N 359.800 4.767 0 40 FJAB O=C(Oc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14856838 SOSGIGXATFSTGQ-UHFFFAOYSA-N 370.811 4.763 0 40 FJAB COc1cccc(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 15516828 CGLHJTDSSFAICY-NTCAYCPXSA-N 374.352 4.653 0 40 FJAB CC(C)c1ccccc1OCC(=O)NCc1ccc(C(F)(F)F)cc1 16301483 GDQTXPZJTWHMDY-UHFFFAOYSA-N 351.368 4.524 0 40 FJAB CN(C)CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 22075227 RCZYWTMVKJHSEQ-UHFFFAOYSA-N 368.908 4.723 0 40 FJAB Cc1sc2ncnc(N3CCC(c4nc5ccccc5[nH]4)CC3)c2c1C 22201484 FPOHFXGZGQUCBT-UHFFFAOYSA-N 363.490 4.568 0 40 FJAB Clc1ccc2c(N3CCN(C/C=C/c4ccccc4)CC3)ccnc2c1 24634726 WVAZDBQWWIYDKI-QPJJXVBHSA-N 363.892 4.724 0 40 FJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(COc2ccc(F)cc2)o1 27980069 OGZKICLNIUPREI-FQEVSTJZSA-N 365.404 4.805 0 40 FJAB CCC[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 32847908 LSMKYIXPVDGCFP-GFCCVEGCSA-N 357.322 4.582 0 40 FJAB COc1ccccc1[C@H](CCN[C@H]1CCO[C@H](C(C)C)C1)c1ccco1 35378163 ADZJVPMVUQQIJT-JLMWRMLUSA-N 357.494 4.603 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 36398179 USKXNCXJSDSNLL-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB CC1CCN(C(=O)Cc2ccc(-c3nc4ccccc4s3)cc2)CC1 41127089 YGWAFCVCBRZJGZ-UHFFFAOYSA-N 350.487 4.764 0 40 FJAB O=C(NCc1nc(-c2ccccc2)cs1)Nc1cccc2cccnc12 47376988 DBZGRCYDLPGNGL-UHFFFAOYSA-N 360.442 4.680 0 40 FJAB FC(F)(F)c1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1 71889759 ODKOHHQYQRLGDQ-UHFFFAOYSA-N 374.362 4.852 0 40 FJAB CCC(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 72353849 QMRPABYITLJCCM-GOSISDBHSA-N 356.897 4.750 0 40 FJAB NC(=O)c1ccc(-c2nc(CN(C3CCCC3)C3CCCC3)cs2)cc1 89793849 SWAATLFJMCFMRX-UHFFFAOYSA-N 369.534 4.596 0 40 FJAB Fc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3ncnc3N2)cc1 101157689 IDMWKBXIDROAQT-HNNXBMFYSA-N 361.207 4.780 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219578311 LLMIMLPGTIHBMO-WOJBJXKFSA-N 373.468 4.895 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 223210455 LHOLOTQVZLVQHR-LSDHHAIUSA-N 361.869 4.610 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 224969336 VSVOLPPKILQMJQ-IBGZPJMESA-N 356.441 4.612 0 40 FJAB Cc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714762 WMJFZRJTICTHLN-UHFFFAOYSA-N 363.461 4.615 0 40 FJAB Cc1[nH]nc2ncc(CNc3cccc(COc4cccc(F)c4)c3)cc12 532725150 PLONFHPQRDXOGE-UHFFFAOYSA-N 362.408 4.597 0 40 FJAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4c(C)cccc43)n[nH]2)cc1C 1646497676 UGWPZWLSENDLIU-FQEVSTJZSA-N 359.473 4.809 0 40 FJAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1OC 848450 AVTKYJJZVLWBKB-UHFFFAOYSA-N 351.427 4.949 0 40 FJAB biogenic COc1cccc(-c2nc3ccc(C)cn3c2NC2CCCC2)c1OC 881974 TZIJJJGZFYCBOX-UHFFFAOYSA-N 351.450 4.681 0 40 FJAB COc1ccc(-c2nnc(SCc3ccccc3Cl)o2)c(OC)c1 1328681 IWKXKOOTYZABAS-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1C 2123424 DSMNUJRZNODRCJ-UHFFFAOYSA-N 361.441 4.563 0 40 FJAB biogenic Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3)c2C)c(C)c1 2685847 DNRSGROVXYUGLA-UHFFFAOYSA-N 366.486 4.987 0 40 FJAB FC(F)Sc1ccc(NC(=S)N2CCc3ccccc3C2)cc1 3274867 REECUFHIKWJALO-UHFFFAOYSA-N 350.459 4.756 0 40 FJAB COc1cc(C)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 3433809 YSGZHQYHDRDVGC-LLVKDONJSA-N 355.217 4.683 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3C(F)(F)F)s2)cc1 4079021 OSKZHUHCFBELLD-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1C 4353819 PJZQJQNEPLZOAK-UHFFFAOYSA-N 350.418 4.896 0 40 FJAB CCC[C@@H]1C[C@](C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O 4791455 SOCOMGZVYZHSDB-BFUOFWGJSA-N 360.479 4.864 0 40 FJAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1nccs1 4849425 VNYGUWMTLAUVTO-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6204885 FICBAIVLBOMKFJ-UHFFFAOYSA-N 374.440 4.785 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)cc1OCC 6649568 KNEYADMGQSOTNP-SJORKVTESA-N 355.478 4.855 0 40 FJAB COc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504071 UDZRQPWVTMHZIK-HXUWFJFHSA-N 357.413 4.947 0 40 FJAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCCc4cc(C)ccc43)c2C)cc1 7782339 JKPGBHGPSXDGRO-UHFFFAOYSA-N 373.500 4.758 0 40 FJAB COc1cc(C(=O)NCc2ccccc2Cl)ccc1OCCC(C)C 7979090 MRVLYHSKOKKJSX-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)cc1 8411442 PAMNKOUYBAEPIC-UHFFFAOYSA-N 352.503 4.794 0 40 FJAB CSc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546556 ONQGMGVEZGMLMU-HNNXBMFYSA-N 369.877 4.926 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9575655 UXRPBVOEGCDCEE-OAQYLSRUSA-N 373.452 4.978 0 40 FJAB COc1ccc(OC)c(-c2ccc(SCc3cccc(F)c3)nn2)c1 10507021 KWLDWDUFKGAQJD-UHFFFAOYSA-N 356.422 4.592 0 40 FJAB O=c1cc(COc2ccccc2Cl)c2ccc(Br)cc2o1 10670652 ZQJPBTSDUCQXHE-UHFFFAOYSA-N 365.610 4.788 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1 12691514 AVYHMIWKLHEANY-GOSISDBHSA-N 368.477 4.587 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(F)c3)s2)cc1 12920861 CGLZUABEBHZCSJ-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CSc1ccccc1NC(=O)CCSCc1cccc(F)c1F 13021555 OKERKSNLJBDYGS-UHFFFAOYSA-N 353.459 4.949 0 40 FJAB Cc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1Cl 13678308 ORMUABUMIOPLCU-UHFFFAOYSA-N 364.681 4.897 0 40 FJAB CCCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)c2cccnc12 15840985 QVWCVICXOMSMBT-UHFFFAOYSA-N 364.445 4.658 0 40 FJAB Cc1ccc2ncccc2c1NC(=O)Cc1csc(-c2ccccc2)n1 19718763 ZRRLMZIKNDLFRL-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145038 YOQHURZMVFRXKZ-IZZDOVSWSA-N 353.805 4.744 0 40 FJAB CCOc1cc2c(cc1OCC)[C@H](/C(Cl)=C/c1ccccc1)NCC2 20506559 JRYBQSWEJBFFMD-SARUNTBLSA-N 357.881 4.951 0 40 FJAB Cc1ccccc1-n1ncc(C(=O)Nc2nc(C3CC3)cs2)c1C1CC1 30112528 WERDHHBXRDVAJI-UHFFFAOYSA-N 364.474 4.644 0 40 FJAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 30752365 BEEQGOVMJNUSIB-JKSUJKDBSA-N 373.518 4.679 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1C 38754002 QJBFCFKHWOKQKM-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38833130 IMAKLADTCYLRQC-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB CCOc1ccccc1CCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 40156072 KVZQFOBWEZZDLM-MRXNPFEDSA-N 362.473 4.645 0 40 FJAB CN(Cc1ccsc1)C(=O)Nc1ccc(Br)cc1Cl 43420419 CNZMNVJKLMZOMN-UHFFFAOYSA-N 359.676 4.828 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 45036499 MRLGGPAKNUZADQ-RCBQFDQVSA-N 370.415 4.581 0 40 FJAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H](N2CCCC2)C1 48324868 FENQYTGYXJBMOT-KRWDZBQOSA-N 373.566 4.813 0 40 FJAB CCc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 48355405 VFXMCMNNOQXUTJ-UHFFFAOYSA-N 361.898 4.880 0 40 FJAB CC(C)(C)n1nc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1C1CC1 55364653 QLLWOERHHUCKQP-LJQANCHMSA-N 366.509 4.668 0 40 FJAB O=C(Nc1ccccc1N1CCCCCC1)N(Cc1ccccn1)C1CC1 69948487 XPCCCVNEFKCIGX-UHFFFAOYSA-N 364.493 4.659 0 40 FJAB Cc1csc(-c2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2)n1 70011142 WMUCNKKVNPZGRK-ZDUSSCGKSA-N 354.500 4.940 0 40 FJAB CN(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1N 72229408 JTCQRZMQFMEOBU-UHFFFAOYSA-N 358.656 4.547 0 40 FJAB Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)cc1Cl 72329819 FESXKFZTEFAYNN-UHFFFAOYSA-N 370.232 4.822 0 40 FJAB CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(-c3cscn3)cc2)CCO1 95993997 OWPZDFMGOAQFGA-MJGOQNOKSA-N 358.507 4.524 0 40 FJAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 106680892 KQJIYAOMFRXWJU-UNOMPAQXSA-N 367.470 4.958 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(F)cc1 223837476 MOWAAQKPMPQCOF-VFNWGFHPSA-N 355.453 4.739 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 224621253 HLBUWZYYOXZXSB-KRWDZBQOSA-N 352.261 4.510 0 40 FJAB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225597378 DDCMYQBBIRAXAD-SFHVURJKSA-N 358.526 4.706 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cc(C)cc(C)c1 225685327 CYOKYPILASRQTC-GOSISDBHSA-N 370.518 4.901 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccccc1C 225757409 UUQKLPRXCZBLAS-QGZVFWFLSA-N 356.491 4.528 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Cl)cc1 226357153 FLGFKLSEPVCCRT-VZUCSPMQSA-N 357.837 4.988 0 40 FJAB COc1cccc(N2Cc3cc4c(cc3C2)CN(c2cccc(OC)c2)C4)c1 408822092 FCESGVORAKXAMN-UHFFFAOYSA-N 372.468 4.744 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)N2CCc3c([nH]c4ccccc34)C2)s1 534048066 IJAXBVDXCXOWFA-UHFFFAOYSA-N 373.481 4.798 0 40 FJAB C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OCCCc1ccncc1 730447457 AKUSXLKZQICOIC-ZDUSSCGKSA-N 352.261 4.743 0 40 FJAB CCCn1c([C@@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 1927023 GQPJYNDYEKYPEH-LJQANCHMSA-N 363.505 4.892 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Br)cc1F 2181357 GUDGFVXRMWUWLY-UHFFFAOYSA-N 374.209 4.759 0 40 FJAB COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)c1 3893794 KMQQKQNXLAFUBG-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB COc1cccc2sc(Nc3nnc(-c4ccc(Cl)cc4)o3)nc12 4137650 DEMPOLWCUUPIOP-UHFFFAOYSA-N 358.810 4.752 0 40 FJAB CCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)cc1C 4194694 VNSBXAQBQUEDHJ-UHFFFAOYSA-N 353.443 4.568 0 40 FJAB O=C(c1cccc(Cl)c1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 4306649 BIHDENHKGPNQHR-GOSISDBHSA-N 350.805 4.925 0 40 FJAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1 4523793 AIPQYICVKVIXOV-UHFFFAOYSA-N 368.304 4.709 0 40 FJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(F)cc1F 5146651 PSGKCPRIHDMPBY-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB Cc1cc(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c(C)n1C(C)C 5309636 ISRROWTYGBPJCE-UHFFFAOYSA-N 362.886 4.586 0 40 FJAB Fc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1 5757315 XNMDWXLSTZVJFR-UHFFFAOYSA-N 362.452 4.581 0 40 FJAB O=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc(Cl)s1 5781567 GPFHSHJXPWILIK-UHFFFAOYSA-N 352.883 4.734 0 40 FJAB CSc1nnc(SCc2csc(-c3ccc(C)cc3)n2)s1 5872390 KOYURDOVBKJWOY-UHFFFAOYSA-N 351.547 4.984 0 40 FJAB CCCn1c(NC(=O)c2c(-c3ccccc3)noc2C)nc2ccccc21 6153852 GOFNCJRXUJGNPW-UHFFFAOYSA-N 360.417 4.662 0 40 FJAB O=C1C[C@@H](C(=O)N(C2CCCCC2)C2CCCCC2)[C@H](c2ccccc2)O1 6646120 HAWMNJXPWCLHCI-IRLDBZIGSA-N 369.505 4.785 0 40 FJAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2o1 6868584 OULNPIMWDSTZKY-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB Cc1csc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 7196357 POUCDJLBKZCHFP-UHFFFAOYSA-N 356.472 4.975 0 40 FJAB Cc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=NCCCC1 8415726 WZVDGAMYUCUFQW-UHFFFAOYSA-N 372.415 4.868 0 40 FJAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 8612036 BWUFRXKLGIUWRQ-UHFFFAOYSA-N 368.864 4.624 0 40 FJAB CSc1ccc(CN(C)Cc2nnc(-c3ccccc3Cl)o2)cc1 8707241 UXNVEVMRAYZIFT-UHFFFAOYSA-N 359.882 4.744 0 40 FJAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2F)nc1Cc1ccccc1 8719819 KOJZDRFYNFKSQH-CQSZACIVSA-N 369.465 4.567 0 40 FJAB CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 9668215 NXFKLQJNLBSUCW-UHFFFAOYSA-N 356.422 4.524 0 40 FJAB c1ccc(CCc2nnc3sc(Cc4cccc5ccccc45)nn23)cc1 10311895 ILKRNECPUIYMJX-UHFFFAOYSA-N 370.481 4.715 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1cccnc1Sc1ccccc1 12586531 ORFQMRZUHIPDLG-QGZVFWFLSA-N 362.498 4.984 0 40 FJAB CCOc1ccccc1-c1cc(C(=O)Nc2ccccn2)c2ccccc2n1 12949568 SFGLXKIRVYBXPM-UHFFFAOYSA-N 369.424 4.948 0 40 FJAB C[C@@H]1CCCCN1c1ccc(NC(=O)COc2ccccc2Cl)cc1 14268988 UQOWGNVZPMYUTE-OAHLLOKOSA-N 358.869 4.736 0 40 FJAB O=C(Nc1ccc(OC(=O)c2cc3ccccc3[nH]2)cc1)c1ccccc1 15597227 HGPNLNCTAAHSEJ-UHFFFAOYSA-N 356.381 4.639 0 40 FJAB Cc1ccc(NC(=O)CN(C)C(=O)c2sc3ccccc3c2Cl)cc1 16594580 VUCIMNZLEFVLGE-UHFFFAOYSA-N 372.877 4.574 0 40 FJAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 20633117 SRSCNFXIVXMBCZ-OAHLLOKOSA-N 366.848 4.755 0 40 FJAB CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)cc1 20671898 KELKIOJKMRRUIR-HNNXBMFYSA-N 361.445 4.780 0 40 FJAB C[C@H]1CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3ccc(F)cc3)c2C1 20672232 NCKPUCSRMQLPQB-GFCCVEGCSA-N 353.372 4.659 0 40 FJAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccccc2OC)cc1Cl 27752090 NKWQEYKZGCAOPQ-UHFFFAOYSA-N 373.840 4.588 0 40 FJAB O=C(CCn1cnc2ccccc21)Nc1ccc2c(c1)Cc1ccccc1-2 30020535 VDPTTYRYJHJRLG-UHFFFAOYSA-N 353.425 4.636 0 40 FJAB CCOc1ccc2nc(Cl)c(CN(Cc3ccccc3)C(C)=O)cc2c1 35288588 ALUAEJKJAYUZCI-UHFFFAOYSA-N 368.864 4.836 0 40 FJAB Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccc(C(C)(C)C)cc3)n2)c1 35316235 ZEGUCOBETPHRQT-UHFFFAOYSA-N 363.461 4.832 0 40 FJAB Cc1ccc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)c2cccnc12 40156714 LHXAHSHMKGSTCK-UHFFFAOYSA-N 355.825 4.631 0 40 FJAB O=C(Nc1ccccc1)c1sc(-c2cnccn2)nc1-c1ccccc1 48365745 MBHAJOMQGKKKJT-UHFFFAOYSA-N 358.426 4.519 0 40 FJAB CC(C)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 49622795 AFPJROXMVMUAIP-GOSISDBHSA-N 355.869 4.662 0 40 FJAB O=C(Nc1nnc(-c2ccsc2)s1)c1cc2cc(Cl)ccc2o1 58423598 VNDBMNWIBGEUGT-UHFFFAOYSA-N 361.835 4.919 0 40 FJAB CC(C)(C)n1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C1CC1 59257706 CCXOLRNOVAAGCW-UHFFFAOYSA-N 351.372 4.787 0 40 FJAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccccc1F 70461138 AHTMXOHGOOEHBO-IBGZPJMESA-N 355.796 4.813 0 40 FJAB Cc1ccc(CN(CC(=O)Nc2sc(C)c(C)c2C)C(C)C)s1 72304869 YNFVJVPEQUHPHA-UHFFFAOYSA-N 350.553 4.892 0 40 FJAB O=C(Nc1ccccc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 95365005 DDDDGVAPKCTWSC-UHFFFAOYSA-N 356.381 4.677 0 40 FJAB O=C(c1ccccc1OCc1cccnc1)N1CCC[C@]2(CC=CCC2)C1 95399739 CVYKXQICBVCRDO-HSZRJFAPSA-N 362.473 4.623 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CCS[C@@H](c2cccs2)CC1 219480576 AWXZQQMINPXARL-CQSZACIVSA-N 355.887 4.861 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)C 223790298 ICWHPQLCEUKOCN-NRFANRHFSA-N 369.505 4.779 0 40 FJAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225447519 KYSPXVZVKZLHRJ-UHFFFAOYSA-N 358.507 4.748 0 40 FJAB CC(C)(C)NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408980047 TZXUYMAGUGZCCI-UHFFFAOYSA-N 361.401 4.678 0 40 FJAB O=C1S/C(=C/c2cc(Cl)ccc2O)C(=O)N1CC1CCCCC1 409138480 CLMAKIAWZUGGRA-OQLLNIDSSA-N 351.855 4.662 0 40 FJAB CSCC[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1cccc1 604419322 SDGDMOYLGZEYEV-GZKSLDRRSA-N 360.567 4.503 0 40 FJAB O=C(NCc1ccc(Cl)s1)NCc1ccccc1CC(F)(F)F 623393117 YQTGWUJUFAFJQL-UHFFFAOYSA-N 362.804 4.506 0 40 FJAB Cc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@H]4C)c(N)c3cc2c1 1342731 CDLZUBMYMFKLKQ-CYBMUJFWSA-N 373.481 4.932 0 40 FJAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)nc2)cc1 1382715 VNNRDFDSCKHUNV-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB COc1ccc2c(C)cc(SCC(=O)Nc3ccc(C)cc3C)nc2c1 1514891 HUSGBAOWFLIBEF-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB Clc1ccc(CSc2ncc(Br)c(Cl)n2)cc1 1679765 WBKNFXPEPWSRRY-UHFFFAOYSA-N 350.068 4.838 0 40 FJAB Cc1ccc([C@@]2(CCNC(=O)c3cccs3)CCO[C@H](C(C)C)C2)cc1 2095180 LUQWEIGNVATRAC-UGKGYDQZSA-N 371.546 4.949 0 40 FJAB biogenic CSc1cc(-c2ccc(F)cc2)nn1C(=O)C(Cl)=C(Cl)Cl 2153297 VYECOXCMCXGIEO-UHFFFAOYSA-N 365.644 4.937 0 40 FJAB CC(C)Oc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 2223626 MTRZTAUCBYTDQN-GOSISDBHSA-N 363.461 4.675 0 40 FJAB CCc1nc(OCC(C)C)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2257602 VGALXJSPKBCFFR-UHFFFAOYSA-N 371.506 4.688 0 40 FJAB Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)cc1 2264265 ZKCFROXTYDCUJH-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 2632485 HLMYXLOROXBNRI-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB CCc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 2723103 REEGGASEQOYXAM-UHFFFAOYSA-N 365.502 4.782 0 40 FJAB COc1cc(NC(=O)/C=C/c2c(F)cccc2Cl)c(OC)cc1Cl 2737642 SCJONTHCRLSOCR-VOTSOKGWSA-N 370.207 4.802 0 40 FJAB COC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 3120553 WVEBZUYJEDEPLY-UHFFFAOYSA-N 356.219 4.759 0 40 FJAB CCNc1ccc(C(=O)OCC)cc1NC(=O)Nc1ccc(Cl)cc1 3231446 IGMQBQHLLKDXEA-UHFFFAOYSA-N 361.829 4.593 0 40 FJAB CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 3356519 KGIBGNJJOFFMMI-UHFFFAOYSA-N 363.461 4.821 0 40 FJAB COc1cccc(CN(C)[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 3434180 QWHLMLFFCMTLRN-QHCPKHFHSA-N 374.484 4.815 0 40 FJAB Cc1cc(OCCCC(=O)NCc2ccccc2Cl)ccc1Cl 3562283 AYTJHOTWJCVJKI-UHFFFAOYSA-N 352.261 4.777 0 40 FJAB CC1CCN(Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)CC1 4713920 YJYZMBQPRMGVSE-UHFFFAOYSA-N 364.518 4.760 0 40 FJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 5186806 ACVCKOAEWFQOOF-GHTZIAJQSA-N 362.454 4.999 0 40 FJAB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 5678050 CTMSWZLBPJRTQP-MDWZMJQESA-N 361.228 4.856 0 40 FJAB CCOC(=O)Nc1ccc2c(c1)CCc1ccccc1N2C(=O)OCC 5952870 GNCVTKKPCIEHAY-UHFFFAOYSA-N 354.406 4.648 0 40 FJAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(C)=O)cc3)nc2c1 6387943 CWYKMCJXVQZJED-LBPRGKRZSA-N 367.474 4.841 0 40 FJAB Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 8510551 RCKSPCKHFLFCNX-QGZVFWFLSA-N 365.502 4.689 0 40 FJAB CCC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(OC)cc1 8587085 NSTNAPRQHWVYQJ-OAQYLSRUSA-N 368.477 4.738 0 40 FJAB CC(=O)NCc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 8936886 CAQZNCVHDLUDID-UHFFFAOYSA-N 352.478 4.822 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3ccc(C)c(C)c3)cc2c1 9460990 KKOADIBXTPSFDP-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB CCSc1ccc(CC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 10252529 STHBWNSXHAHIQI-UHFFFAOYSA-N 364.442 4.868 0 40 FJAB CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N(CC)CC 11917282 WTJXNKDVVORAQI-LJQANCHMSA-N 374.912 4.552 0 40 FJAB Cc1ccccc1-c1nn(CN2CCC[C@@H]2c2ccccc2)c(=S)n1C 12800197 GPKYNPRJQFGBEG-LJQANCHMSA-N 364.518 4.721 0 40 FJAB CC(C)(C)c1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 12938049 RXRAKXRQCRKFBR-SFHVURJKSA-N 353.462 4.794 0 40 FJAB Cc1c(F)cccc1NC(=O)CSc1ccc(Br)cc1 15019128 NIKCVPNYMNEJPR-UHFFFAOYSA-N 354.244 4.627 0 40 FJAB Cc1cc(OC[C@H](O)CN[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C(C)C)cc1Cl 16043726 WBUQDBZWBIJYKV-XNWPKKHHSA-N 367.961 4.926 0 40 FJAB O=c1[nH]c(/C=C/c2ccc(Cl)cc2)nc(O)c1-c1ccc(Cl)cc1 16978101 NPTFQPRXYSUPLX-XCVCLJGOSA-N 359.212 4.620 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(F)cc2)c1C 19557950 DOHQHWHAIXJTPI-GOSISDBHSA-N 354.429 4.548 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 19887900 LMWQJLAITQUGHU-UHFFFAOYSA-N 367.401 4.651 0 40 FJAB C1=CC[C@H](CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 19889684 RCKJJKBCKGESQF-NRFANRHFSA-N 362.517 4.953 0 40 FJAB CCc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1CC 20034326 PVMHGBJDNAFQPS-UHFFFAOYSA-N 371.510 4.500 0 40 FJAB Cc1nc(S[C@@H]2CCc3ccccc3NC2=O)n(-c2ccccc2)c1C 20744524 VVTXYGXAXFKSQF-LJQANCHMSA-N 363.486 4.535 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(F)c3)n2)cc1 21217055 LJLZBFHKRKWADC-UHFFFAOYSA-N 353.397 4.570 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)n1 31801113 RLCJICLVGQAMRX-UHFFFAOYSA-N 356.429 4.505 0 40 FJAB CCN(Cc1ccc(Br)s1)C(=O)c1cc2ccccc2[nH]1 36392524 YNVWWFWJGQOPES-UHFFFAOYSA-N 363.280 4.654 0 40 FJAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833752 ZFXVRXWNPGFHAO-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB CCCCCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38858892 JQPJFWBHGTYNIN-AWEZNQCLSA-N 357.325 4.512 0 40 FJAB CC1(C)COC(CCCCC(=O)c2cccc(Br)c2)OC1 43214490 ROFCXHMELVLDAY-UHFFFAOYSA-N 355.272 4.591 0 40 FJAB Cc1nc(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)oc1C 47558988 BFMHPKLMOFHQMG-CYBMUJFWSA-N 365.524 4.594 0 40 FJAB O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[C@H]1c1cccs1 48138303 VLDJBXSNOUVESS-KRWDZBQOSA-N 359.470 4.856 0 40 FJAB CSc1nnc(CN2CCc3sccc3[C@H]2c2cccs2)s1 48302678 SFKGZPUEJXGNOU-AWEZNQCLSA-N 365.574 4.531 0 40 FJAB Cc1ccccc1CNc1ncc(-c2ncc[nH]2)c(-c2ccc(F)cc2)n1 57761951 GHBUCOCYZXWFFV-UHFFFAOYSA-N 359.408 4.593 0 40 FJAB C[C@@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1ccccn1 72396537 CHGKVUDMEMOMFM-GFCCVEGCSA-N 365.487 4.897 0 40 FJAB COC(=O)CSc1nc(C)cc(C)c1-c1nc(-c2ccccc2)cs1 95117493 BMJYOGWAHQFVHR-UHFFFAOYSA-N 370.499 4.754 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1 95348773 DTOBWDHAZDCDLS-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB Cc1csc(-c2cccc(CNC(=O)c3sc(C)nc3C(C)C)c2)n1 96223716 UHDLMKWFZJFVBM-UHFFFAOYSA-N 371.531 4.937 0 40 FJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1 101711082 OIKOIZIBSGXBPF-WZGNDQMWSA-N 350.462 4.768 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)ccc1Cl 113969145 XFXQNLODZNULAZ-HNNXBMFYSA-N 361.869 4.519 0 40 FJAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc3ncsc3c2)CCS1 207003013 UOHKIQJZLZFFPI-GOSISDBHSA-N 368.527 4.925 0 40 FJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 222838906 ONSUKXKUOKSFRP-UXHICEINSA-N 368.550 4.769 0 40 FJAB O=S(=O)(Oc1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 226861852 DBIFICMRRXMUEZ-UHFFFAOYSA-N 360.434 4.859 0 40 FJAB CCOc1ccc(NC(=O)NCCc2ccc(-c3ccoc3)s2)cc1 390829357 DUOGTAKAUMKEGU-UHFFFAOYSA-N 356.447 4.771 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1Cl 408705873 PFWGCEQNRFVQAS-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(-c2cnco2)cc1 517404386 OIOYQIHLOBJMTG-UHFFFAOYSA-N 350.418 4.791 0 40 FJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C1CCCC1 907992 GOXUEAXGDYGXSX-UHFFFAOYSA-N 365.404 4.517 0 40 FJAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 1308140 SLRDDBBIKUDRIU-GFCCVEGCSA-N 356.516 4.917 0 40 FJAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccccc1Cl 1514065 RYKKUJHGKPFOAP-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB Cc1cc2c(cc1C)N[C@H]1C(=O)[C@H](c3ccc(Cl)c(Cl)c3)OC1=N2 1588485 QQMNRAXTEHFMRE-RDJZCZTQSA-N 361.228 4.775 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(Br)c1 2660845 BECZMIQAYQJQMM-UHFFFAOYSA-N 374.156 4.908 0 40 FJAB COc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2SCCC3)cc1 2921919 WUBPNZPSYRXRSR-UHFFFAOYSA-N 357.886 4.590 0 40 FJAB COc1cc2ccccc2cc1C(=O)OCC(=O)c1c(C)cc(C)cc1C 3329809 VXGYUBNDUQMPSO-UHFFFAOYSA-N 362.425 4.813 0 40 FJAB CC1CCN(Cc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)CC1 3571948 SXDIAAAPRJKRMU-UHFFFAOYSA-N 373.909 4.537 0 40 FJAB C[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 3583340 YRHMYVOAPRYBSL-HNNXBMFYSA-N 358.869 4.945 0 40 FJAB CCCCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC 3646580 ZZZDBQVHSPRPCZ-UHFFFAOYSA-N 355.434 4.529 0 40 FJAB Cc1cccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)c1 4078299 SBDDHCGETADYCW-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCCC1 4156198 OWKRUTKNHMWOPV-UHFFFAOYSA-N 351.269 4.701 0 40 FJAB Cc1ccc(Cl)cc1Nc1nnc(Cc2ccc(Cl)cc2)c(O)n1 4225143 SJFMMVYKFQUJLF-UHFFFAOYSA-N 361.232 4.527 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccccc1F 4854263 PZDSYEQROOHQGC-LJQANCHMSA-N 369.827 4.918 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 4979457 OVOYWHQIIPVUSE-HACGYAERSA-N 370.848 4.640 0 40 FJAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1OC 5019497 NVKVMCIRDWJABQ-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB O=C(Cc1cccs1)Nc1oc2ccccc2c(=O)c1-c1ccccc1 5345731 YALRFJCXVQUCBZ-UHFFFAOYSA-N 361.422 4.703 0 40 FJAB COc1ccc(-c2ccc(CNCc3ccc(C(=O)O)cc3)o2)cc1Cl 7539632 HOQFEMLIYDXWBQ-UHFFFAOYSA-N 371.820 4.597 0 40 FJAB Cc1ccc2cccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)c2n1 8591115 IBGSSKAQTJZESV-UHFFFAOYSA-N 354.837 4.831 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccc2ccccc2c1 8707825 HHZSFENIDHOIIJ-INIZCTEOSA-N 351.471 4.516 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)o1 8776855 VWLBXZOUSKIPSN-YPMHNXCESA-N 367.276 4.780 0 40 FJAB Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)[nH]n2)c(O)c1 8845375 SKKAQVNMYMARSE-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 12113083 YALLKSYYRXKYKK-INIZCTEOSA-N 373.884 4.676 0 40 FJAB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)SC1=S 12139438 UGKHCJJECLXOHT-BOPFTXTBSA-N 356.516 4.624 0 40 FJAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCC(Cc2ccccc2)CC1 12321311 ODDLUCWQCSBHJF-JOCHJYFZSA-N 362.473 4.557 0 40 FJAB O=C(COc1ccc(F)c(Cl)c1)Nc1nc(-c2cccs2)cs1 12797084 LLFHLQYRCFPOQP-UHFFFAOYSA-N 368.842 4.682 0 40 FJAB COc1ccc(-c2cc(NC(=O)CCc3ccco3)ccc2OC)cc1 13008333 HGMSRYLSTFVDDU-UHFFFAOYSA-N 351.402 4.535 0 40 FJAB O=S(=O)(NC1CCCCCC1)c1cc(Cl)c(Cl)cc1Cl 13938487 NBDYOLCBFRLYIH-UHFFFAOYSA-N 356.702 4.648 0 40 FJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC 14577285 GJHUDJOKSVKQFM-JOCHJYFZSA-N 361.441 4.532 0 40 FJAB Cc1nc([C@@H]2CCCCN2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 19754191 HJBWHAUGLAXRLQ-SFHVURJKSA-N 372.900 4.626 0 40 FJAB CCCCOc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 20478869 JPHUPINWARGELY-UHFFFAOYSA-N 366.486 4.919 0 40 FJAB CCc1nnc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)s1 21288250 AVBIIKGMKBFUCP-UHFFFAOYSA-N 372.500 4.691 0 40 FJAB COc1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)cc1 22072072 KYINAAAQMKEWHP-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB COc1ccc(-c2oc3ccccc3c2I)cc1 26897187 SJFSBXLHUNDEJH-UHFFFAOYSA-N 350.155 4.713 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCCC2)cc1 27664373 BMWCPJIFBKYYCD-NRFANRHFSA-N 370.924 4.996 0 40 FJAB Cc1ccc2c(Nc3ccccc3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005432 ZTYJKZHOWDYAIH-UHFFFAOYSA-N 360.461 4.554 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2)n1 58369732 ZKAQFXNJIQFLIB-QGZVFWFLSA-N 365.452 4.521 0 40 FJAB CN(C(=O)c1cc2ccccc2o1)[C@@H](c1cccc(F)c1)c1ccccn1 58370343 VPVDOBNJYZRIJZ-NRFANRHFSA-N 360.388 4.829 0 40 FJAB COC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 58378161 RAVGQHSBORFPNP-LLVKDONJSA-N 366.244 4.613 0 40 FJAB Cc1cc(C)cc(-c2nnc(Cc3nc(-c4cccc(Cl)c4)no3)o2)c1 65185463 OLPDMWWDIJZDBP-UHFFFAOYSA-N 366.808 4.648 0 40 FJAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cs2)o1 65515154 DTCWNWWZGKJSIZ-RISCZKNCSA-N 356.447 4.700 0 40 FJAB Cc1cccc(-c2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)c1 71889910 XIFPUDICURWVBU-UHFFFAOYSA-N 354.837 4.795 0 40 FJAB Cc1ccc2c(-c3cc4c(CNC(C)C)cnc(C)c4o3)cc(=O)oc2c1 96116208 APWPUNXKJHJSAP-UHFFFAOYSA-N 362.429 4.716 0 40 FJAB biogenic S=C(NCc1ccc(Cl)cc1)Nc1ccc(N2CCCCCC2)nc1 223931096 QYZLKHASLUGNQB-UHFFFAOYSA-N 374.941 4.602 0 40 FJAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 224129544 DVMCIQLWIKVQRT-KRWDZBQOSA-N 369.505 4.509 0 40 FJAB Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c(C)c1 224650908 RTIRSAZAHFYGKT-ZHZULCJRSA-N 374.440 4.614 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(Cl)cc1F 224796372 XNWKYGUOTQJQQZ-KRWDZBQOSA-N 361.844 4.749 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1C 225758949 DSUKJAVVFCBVAS-LJQANCHMSA-N 367.518 4.560 0 40 FJAB Cc1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 226011021 GGMJPXUXTPRSGM-UHFFFAOYSA-N 356.495 4.587 0 40 FJAB Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 226365397 SRGHMAAFSMYCJL-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB CC(C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 408526027 VYICEKKBOUMJFX-SSZFMOIBSA-N 359.425 4.992 0 40 FJAB c1ccc(-c2cncc(Oc3ccc4nnc(-c5ccccc5)n4n3)c2)cc1 565767694 RLYAEHHELBALIN-UHFFFAOYSA-N 365.396 4.646 0 40 FJAB COc1cccc(C[C@@]2(C(=O)NC[C@@H]3CCCC3(C)C)C[C@H]3CC[C@H]2C3)c1 1129290183 UOSNFNLREJKUHX-AZXNSQLWSA-N 369.549 4.987 0 40 FJAB CN(CCF)c1cc(C(F)(F)F)nc2c(F)cc(Br)cc12 1612432313 DLWPRWKHPFKMAS-UHFFFAOYSA-N 369.131 4.561 0 40 FJAB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 682714 CIZULCSYQPCRIV-CXUHLZMHSA-N 362.212 4.737 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C2CCCCC2)n1C 906769 LAGLGHZPNGLUAM-OAHLLOKOSA-N 372.538 4.599 0 40 FJAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 1065516 DKVZQCWXNJIOCS-NRFANRHFSA-N 372.424 4.634 0 40 FJAB Cc1cccc2cc3c(N)c(C(=O)Nc4ccccc4F)sc3nc12 1223907 GZRPDESXCSVDBX-UHFFFAOYSA-N 351.406 4.732 0 40 FJAB CCc1ccccc1NC(=S)N1CCC(c2nc3ccccc3[nH]2)CC1 1327010 PTSQKCSGGAQZBM-UHFFFAOYSA-N 364.518 4.702 0 40 FJAB Clc1ccc(-n2ncc3c(NCc4ccccc4Cl)ncnc32)cc1 1467512 PYVMIRDMIOJQPT-UHFFFAOYSA-N 370.243 4.734 0 40 FJAB COC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc(C)c1C 2708144 XSTOWFWQNOJMGX-VIFPVBQESA-N 363.504 4.590 0 40 FJAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 3295508 FXFDYKCJEUAIKN-ZDUSSCGKSA-N 353.805 4.677 0 40 FJAB COc1cccc(CN(C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 3434177 QWHLMLFFCMTLRN-HSZRJFAPSA-N 374.484 4.815 0 40 FJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccccc1Cl 4093682 GYMCOELZEOXOII-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB Cc1ccc(-c2nsc(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 4167333 PAORXXSZGYZQKR-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)c3cnn(C)c3n2)cc1 4323011 DHLZJNFZPMUGBO-UHFFFAOYSA-N 358.449 4.776 0 40 FJAB CCOC(=O)[C@@H](Cc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 4909957 AWMMECBMWZSRJW-ZDUSSCGKSA-N 363.244 4.759 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 6047557 MXVNHOOTXLJBFX-CSKARUKUSA-N 364.228 4.822 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 6629524 AGXTWGHXSZWDNJ-GZTJUZNOSA-N 358.438 4.680 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)NCCCOC3CCCCC3)ccc2c1 6989193 KZGBRCIGEDWFSJ-KRWDZBQOSA-N 369.505 4.808 0 40 FJAB Cc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 7370040 JBCKHWQLQUTKDM-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCNCc1cc(Br)ccc1OCc1ccccc1Cl 8227226 ZRMMKOVNGSDOFF-UHFFFAOYSA-N 354.675 4.791 0 40 FJAB O=C(CNc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1 8709218 LIRJXDVIGLPKDC-UHFFFAOYSA-N 373.172 4.519 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)C2CC2)cc1 12435699 MEJBDJPZCSLISB-UHFFFAOYSA-N 363.244 4.523 0 40 FJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cc(F)ccc3F)cc2)cs1 12562347 STYLZOMFSXSTRE-LLVKDONJSA-N 373.428 4.836 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 12599368 IZYTUHYCZSNKFV-UHFFFAOYSA-N 366.486 4.829 0 40 FJAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3OC)cs2)cc1 12809189 BQZHGIIVQWZGSW-UHFFFAOYSA-N 368.458 4.843 0 40 FJAB CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 12812621 ZBTGKYKDWWHYQJ-OAHLLOKOSA-N 365.926 4.588 0 40 FJAB O=C(CCSCc1ccccc1Br)NC1CCCCC1 12917391 POFNYRUZAGGLJN-UHFFFAOYSA-N 356.329 4.521 0 40 FJAB O=C1S/C(=C/c2ccccn2)C(=O)N1Cc1ccc(Cl)cc1Cl 12946960 LJHAVWHTKMRGAB-RIYZIHGNSA-N 365.241 4.625 0 40 FJAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 13001383 NEKJBXVTULHYQW-UHFFFAOYSA-N 361.376 4.832 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 13608539 IGSYSQSEZYXBEF-UHFFFAOYSA-N 370.880 4.584 0 40 FJAB COc1ccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13932703 WJVAKKSYDREOJZ-NSHDSACASA-N 354.397 4.762 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 14185660 VKOXEAUFSGYJQE-UHFFFAOYSA-N 368.216 4.518 0 40 FJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)o1 15881379 QJUAGIXCFSXWNW-UHFFFAOYSA-N 374.444 4.509 0 40 FJAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN32)cc1 16524645 OPCTUTHLNXVMSD-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB COc1ccc(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)cc1OC 19215479 FAUGEYXLLXCORY-LJQANCHMSA-N 368.502 4.542 0 40 FJAB COc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)c(C)c1C 19577412 GFJUAOMHOCTTKM-KRWDZBQOSA-N 358.532 4.904 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCc3ccccc32)cc1 20043009 PAEMVQJCQKMYRH-SFHVURJKSA-N 368.480 4.841 0 40 FJAB CCCc1cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)sc1C 23383618 PJSKKUZUMFSAGS-HXUWFJFHSA-N 357.519 4.595 0 40 FJAB C[C@@H]1CCCC[C@H]1NC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296794 ZHNJYJRWQXTHLL-JXXFODFXSA-N 374.956 4.703 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c(F)c1 44837474 NKKAKAPWIAVMJV-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)cc1C 44856711 YAYLFGMUFSMCAE-QFIPXVFZSA-N 350.506 4.780 0 40 FJAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 44934895 HPSJVQSTSJFBFV-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB Cc1ccc(C(=O)C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)cc1 65476622 JGQPNDOKYWKBTH-UHFFFAOYSA-N 360.413 4.621 0 40 FJAB FC(F)(F)c1ccnc(N[C@@H](COCc2ccccc2)c2ccccc2)n1 72293827 QONDGMDITJVRCP-KRWDZBQOSA-N 373.378 4.865 0 40 FJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCC2CCCCC2)cc1 72329009 ZXXWFAKRRFPSMK-UHFFFAOYSA-N 355.482 4.566 0 40 FJAB O=C(Nc1ccc2ccccc2c1)c1cc(-c2cc(Cl)ccc2O)n[nH]1 72427492 TTWAMGYVFMXOCT-UHFFFAOYSA-N 363.804 4.841 0 40 FJAB CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C1=C(O)CCCC1=N2 102657682 OCRJJDPXMOHCEB-QGZVFWFLSA-N 354.479 4.624 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 113970344 OHXMFYHUWDSQQO-NRFANRHFSA-N 355.478 4.564 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1C 216353884 XDKARAZOVOEIRF-MRXNPFEDSA-N 369.461 4.701 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 222613903 JVYGXPPIDOXBOC-LJQANCHMSA-N 364.533 4.972 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 224192894 IOAMWBOMVVWQNA-PMACEKPBSA-N 362.502 4.512 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C 224474193 BOJJHWGATDGPDO-GOSISDBHSA-N 363.910 4.714 0 40 FJAB CCOc1ccccc1CCCNC(=O)COc1cc(C)ccc1C(C)C 224678657 AETGWUYXYJBOEP-UHFFFAOYSA-N 369.505 4.645 0 40 FJAB COc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225580870 ZDBMNEVBCNKFQY-UHFFFAOYSA-N 373.880 4.652 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C)c(Cl)c1 225581537 IPEBYHSGADTIFA-MRXNPFEDSA-N 353.963 4.589 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225642815 GPMKTHIABGQWRA-INIZCTEOSA-N 358.507 4.536 0 40 FJAB CC[C@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 225717720 FUDWABBFIZMVFY-INIZCTEOSA-N 358.507 4.758 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cn1 225871184 JOGXFRCMCMYFCC-UHFFFAOYSA-N 368.477 4.720 0 40 FJAB Fc1ccc(Cc2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)cc1 257207708 BIWREUUMNWEEDD-HSZRJFAPSA-N 361.464 4.934 0 40 FJAB S=C(Nc1ccc(Br)c(Cl)c1)N[C@H]1C[C@H]2CC[C@H]1C2 260659354 YXWUIXAVLOELQX-RVBZMBCESA-N 359.720 4.578 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)CCCn2cccc2)c2ccccc12 524735557 JPTWDVAMDSFEQV-NRFANRHFSA-N 362.473 4.794 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1 526052542 YCVRMFRZPYVDCR-UHFFFAOYSA-N 350.443 4.934 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccc(Cl)s1 575609535 DAVKOAUXYKSIHK-AWEZNQCLSA-N 363.891 4.593 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3ccc(F)cc3Cl)cc12 605478193 PPEXUZXMAKVCRT-JTQLQIEISA-N 361.804 4.630 0 40 FJAB Nc1ccc(-c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1 837254 ZWNIQXWEPYYSBO-UHFFFAOYSA-N 364.404 4.890 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350180 BBWKDFXGWGRAOT-KRWDZBQOSA-N 362.477 4.900 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)cc1 3115814 DJGHAHPQQZTSDN-UHFFFAOYSA-N 368.502 4.643 0 40 FJAB COc1ccc(NC(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)cc1OC 5414672 HQWVTYFSAAVQSA-UHFFFAOYSA-N 372.509 4.964 0 40 FJAB Sc1nnc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)o1 5763154 XINIVONEXZCGFV-UHFFFAOYSA-N 353.230 4.911 0 40 FJAB COc1ccccc1NC1=NN=C(c2ccc(Cl)cc2Cl)CS1 5859341 VQDALEQMZKRLOB-UHFFFAOYSA-N 366.273 4.921 0 40 FJAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6346323 NICJEHGOYBEKOY-XDHOZWIPSA-N 365.454 4.729 0 40 FJAB Cc1ccc(-c2nc(Cn3c(=O)oc4ccc(Cl)cc43)cs2)cc1 6758866 IDLJFDLMXHLDSU-UHFFFAOYSA-N 356.834 4.728 0 40 FJAB CCOc1ccc(Br)cc1CNC12CC3CC(CC(C3)C1)C2 8324482 CEYHLILBZOEDFA-UHFFFAOYSA-N 364.327 4.906 0 40 FJAB Fc1ccc(-c2cnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1 8394057 JIWXLGUEERYRLG-UHFFFAOYSA-N 356.426 4.577 0 40 FJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccco1)Cc1cccs1 9204353 ORZKWRUBLITZAS-UHFFFAOYSA-N 355.459 4.566 0 40 FJAB COC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 9420033 FQAQWBKPYWMUCI-UHFFFAOYSA-N 367.430 4.549 0 40 FJAB COc1cccc(C2=NN(C(=O)c3cccc(C)c3)[C@@H](c3ccco3)C2)c1 9781724 DGSXKEJLTQJVEA-HXUWFJFHSA-N 360.413 4.588 0 40 FJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2oc3ccccc3c2c1 10753688 KIOGOVGLEHQEQK-UHFFFAOYSA-N 359.381 4.886 0 40 FJAB Cc1noc(C)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185453 QGSROXJCKXAXLE-OAHLLOKOSA-N 371.462 4.765 0 40 FJAB Cc1ccccc1NC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C 12654070 PYFOBKNEJDSTHY-UHFFFAOYSA-N 364.449 4.878 0 40 FJAB C[C@@H]1CCN(C(=O)c2ccc(Br)cc2)c2ccccc2S1 12767964 QDICEVADMMBBKY-GFCCVEGCSA-N 362.292 4.980 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 12783650 SSNJGFAEJSKDMU-JTQLQIEISA-N 364.442 4.570 0 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CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928162 GQXZPRCPDHVBKD-DTKZCYKGSA-N 362.554 4.958 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccc(C)cc1 222978574 LWTOZOJNKUXAQR-OAQYLSRUSA-N 371.546 4.819 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223075114 WMRNZJPHTBNZIF-ZHRRBRCNSA-N 367.489 4.609 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223083878 HKPOITAAGKHOAB-JTSKRJEESA-N 351.490 4.909 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1OC 223275892 IXMOBSIXNLXNQT-OXQOHEQNSA-N 363.457 4.883 0 40 FJAB COc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1C 224011102 KBIGDKQZFWPXNH-UHFFFAOYSA-N 359.469 4.842 0 40 FJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224273813 QIEKEKOSUBCCHB-MRXNPFEDSA-N 355.478 4.728 0 40 FJAB CCN(CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224982287 FBMIDKWEZCPGAC-UHFFFAOYSA-N 372.512 4.929 0 40 FJAB CC(C)c1ccccc1O[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225094180 YRWKOWCMKWHXBY-QGZVFWFLSA-N 352.352 4.904 0 40 FJAB Cc1cccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c1 225827691 ILFSUJPCAHJYEY-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB COc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225846980 NCILBKLBSFUDPR-UHFFFAOYSA-N 354.519 4.927 0 40 FJAB CC(C)c1ccc(-c2nc3ccc(S(=O)(=O)O)c4cccc([nH]2)c34)cc1 226249354 FIBYUKUKACKSDX-UHFFFAOYSA-N 366.442 4.753 0 40 FJAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cc1 1615153224 CDOQJVFRXUAYAF-NQIIRXRSSA-N 366.480 4.654 0 40 FJAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(Nc3ccccc3)cn2)cc1 1626434607 VGAPAFWNZUCPRX-OAHLLOKOSA-N 362.433 4.717 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)Oc1ccc(Cl)cc1 1393157 FSZKIGWFAIPSHV-UHFFFAOYSA-N 365.685 4.969 0 40 FJAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1c3ccccc3C=Cc3ccccc31)C2 2024867 LXQVNBKASAWZBY-WOJBJXKFSA-N 359.473 4.643 0 40 FJAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C)c(Cl)c1)CO3 2344574 GRRRXBORQDXEBK-UHFFFAOYSA-N 369.848 4.982 0 40 FJAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 3152649 MAGSWGHNAUTHHB-UHFFFAOYSA-N 356.077 4.941 0 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FJELBJODEBVXMI-LEWJYISDSA-N 355.478 4.756 0 40 FJAB CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 45943271 RXUBHPCXODLOBK-UHFFFAOYSA-N 372.421 4.610 0 40 FJAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 49548659 FMWOZJQAPSDBMV-LBPRGKRZSA-N 361.323 4.823 0 40 FJAB COc1cccc(Nc2nnc(SCc3ccnc(Cl)c3)s2)c1 58005153 XHWGXQADPUYYMD-UHFFFAOYSA-N 364.883 4.631 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Oc1ccc2ncccc2c1 58174807 VZCOIKUFOGOYKU-ACCUITESSA-N 369.424 4.656 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358952 CDDLTXCBPLNESW-KRWDZBQOSA-N 369.896 4.693 0 40 FJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccc(F)cc2Cl)C1 72405258 JROAKKISTBSSMS-CYBMUJFWSA-N 361.829 4.909 0 40 FJAB O=C([C@H]1C[C@H]1c1ccccc1F)N(Cc1ccccn1)c1ccc(F)cc1 79140514 OWETXHFQRCNJMH-PMACEKPBSA-N 364.395 4.697 0 40 FJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cc2ccccc2o1 90613530 KMESZZHZXSTQCL-GOSISDBHSA-N 369.467 4.568 0 40 FJAB Cc1ccc(CN2CCCC3(CCN(Cc4ccc(C)o4)CC3)C2)cc1 96047376 PYVXYNMQEZQKOK-UHFFFAOYSA-N 352.522 4.775 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)ccc1Cl 113969147 XFXQNLODZNULAZ-OAHLLOKOSA-N 361.869 4.519 0 40 FJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2nccc3ccccc23)CCS1 219291164 PKRIMNADQMUPGB-FQEVSTJZSA-N 362.498 4.864 0 40 FJAB COCc1cccc(NC(=O)CSCc2cccc3ccccc23)c1 224954517 XWDUUVCTIWBIBY-UHFFFAOYSA-N 351.471 4.858 0 40 FJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225886460 FXPCQYVOQFDGOE-OAQYLSRUSA-N 358.482 4.803 0 40 FJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 408628135 PYJFUNAGYPENRN-MRXNPFEDSA-N 367.518 4.501 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCCC2)cc1 408680061 YHEXZLMOONWZNB-UHFFFAOYSA-N 360.457 4.500 0 40 FJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 408806222 AWJNBNFRWQCOGD-UHFFFAOYSA-N 367.494 4.890 0 40 FJAB Cc1nc(SCC(=O)Nc2cccc3ccccc23)nc2c1CCCC2 409272276 FSALZAIXRKJMRE-UHFFFAOYSA-N 363.486 4.548 0 40 FJAB Cc1ccc(C)c(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 409383849 KYLFIPVMQUOPAS-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2F)n1 519074380 KYFKJGDONYULMN-UHFFFAOYSA-N 364.207 4.879 0 40 FJAB CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 1775977338 TUTPKABXNJNVGM-RTBURBONSA-N 371.864 4.895 0 40 FJAB CCOC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12 704238 KIIITABSNSDVRV-UHFFFAOYSA-N 362.454 4.957 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1c2ccc(F)cc2CC[C@H]1C 997561 PWASPLNMKKRBQV-ZIAGYGMSSA-N 361.844 4.923 0 40 FJAB O=S1(=O)CC[C@H](Sc2cccc(C(F)(F)F)c2)c2ccsc21 1398500 IFTALSFLIGTMIC-LBPRGKRZSA-N 364.435 4.778 0 40 FJAB CCCCOC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 1778553 YXQWIILPFRMCGO-NWDGAFQWSA-N 364.536 4.640 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(F)c(Cl)c1)C3 2124950 VHNYTLMUANDFSO-UHFFFAOYSA-N 373.811 4.867 0 40 FJAB biogenic COc1ccc(NC(=O)C(Cl)(c2ccccc2)c2ccccc2)cc1 2730525 IZYIJLUQVVRRMU-UHFFFAOYSA-N 351.833 4.816 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2cc(SC)ccc2Cl)cc1C 3306556 WFAURSOIDUUKDQ-UHFFFAOYSA-N 369.895 4.861 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)Nc1cccc(Cl)c1)CSC2 4077363 XOAHSHRPGKQPLS-UHFFFAOYSA-N 350.875 4.682 0 40 FJAB CCCn1cc(SCC(=O)Nc2ccccc2OC)c2ccccc21 4231691 KUKLJRXYVDNDGO-UHFFFAOYSA-N 354.475 4.791 0 40 FJAB CCSc1nnc(NC(=O)Cc2coc3ccc4ccccc4c23)s1 5443137 LXUOHHNVTDANMY-UHFFFAOYSA-N 369.471 4.731 0 40 FJAB COc1ccc([C@@H](CCC(C)C)CCN2C(=O)c3ccccc3C2=O)cc1 5499962 CIKSQKJCPJAUMP-SFHVURJKSA-N 365.473 4.901 0 40 FJAB CCC[C@@]1(c2cccc(OC)c2)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 5844095 IQJWZICGGPPMEA-JOCHJYFZSA-N 368.477 4.590 0 40 FJAB CCOc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OC 5850997 QEFKKXACUZZJHN-GXDHUFHOSA-N 369.442 4.719 0 40 FJAB Cc1sc(NC(=O)c2ccc(OC(F)F)cc2)nc1-c1ccccc1 6651764 QDJMEQKVIXBYBF-UHFFFAOYSA-N 360.385 4.972 0 40 FJAB O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)c1ccncc1 6977724 ZGQBDYXPGOEXEP-XMMPIXPASA-N 352.437 4.683 0 40 FJAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 7099739 LJFDCHDFBPGIOH-ZSOIEALJSA-N 365.241 4.625 0 40 FJAB O=C(OCc1nc2ccccc2o1)c1ccc(-n2cnc3ccccc32)cc1 7139829 RUZWLYWYKVMVHW-UHFFFAOYSA-N 369.380 4.524 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1N1CCCC1=O 7950160 NBPFWVQETHIDFR-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(Cl)c1 8051061 XAWDLMICUBRQLW-CQSZACIVSA-N 354.233 4.798 0 40 FJAB COc1cc(-c2nnc(S[C@@H](C)c3ccccc3)o2)cc(OC)c1OC 8231815 SRYLQVGJWOTHIV-LBPRGKRZSA-N 372.446 4.616 0 40 FJAB COc1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 8297131 MRZSUNBAGCRAGM-UHFFFAOYSA-N 350.443 4.613 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383048 UPWYYSAEFBCAMQ-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB COc1cc(Cl)c(NC(=O)COc2cccc3ccccc23)cc1OC 11061269 VHPCVCKAOHHHLU-UHFFFAOYSA-N 371.820 4.528 0 40 FJAB Cc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c1C 11565714 GRHPEWLYLIBTQS-CQSZACIVSA-N 367.832 4.933 0 40 FJAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(Cl)cccc3s2)on1 11693197 KJJZDWZELVTVMY-UHFFFAOYSA-N 373.821 4.686 0 40 FJAB Cc1ccccc1-n1ccnc1SCc1noc(-c2ccsc2)n1 12535562 JPXHWNNMPNEBGI-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB Cc1cccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 12588066 QUYLGDQJQNQCCA-UHFFFAOYSA-N 367.880 4.626 0 40 FJAB COc1cccc(CN(C)C(=O)c2sccc2-c2ccccc2)c1OC 12733335 PNGCIZLVOUVXCZ-UHFFFAOYSA-N 367.470 4.705 0 40 FJAB COc1cc(C(C)=O)ccc1Oc1nc(-c2ccncc2)nc2ccccc12 12787924 GCXATSBSXJNFKJ-UHFFFAOYSA-N 371.396 4.695 0 40 FJAB Cc1nn2c(C(F)(F)F)ccnc2c1/C=C/c1ccc2ccccc2n1 12794581 MUQRMIWUKJBIPJ-CMDGGOBGSA-N 354.335 4.775 0 40 FJAB Cc1ccc(SCCNC(=O)CCc2c[nH]c3ccccc23)cc1C 12889006 ZBOCKHFHEBDKKG-UHFFFAOYSA-N 352.503 4.626 0 40 FJAB CN(C(=O)CCCc1nc2ccccc2s1)[C@H]1CCc2ccccc21 12998010 KIPKNVVKOIVYFR-SFHVURJKSA-N 350.487 4.765 0 40 FJAB c1ccc(CSc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 13625432 YSXNFQZXZPTYEP-UHFFFAOYSA-N 369.453 4.632 0 40 FJAB COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)cc1 17076347 STHGGMAOABNMLP-UHFFFAOYSA-N 372.515 4.777 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1csc(-c2ccccc2)n1 21197616 ZWWCLKXDDLRKIJ-UHFFFAOYSA-N 374.868 4.804 0 40 FJAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cl)cc1 22072278 RGCXVALXIPCKHA-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB Cc1c(C(=O)Nc2nc(CN3CCCCC3)cs2)oc2c(F)cccc12 22289773 NWAALKHBZROPRN-UHFFFAOYSA-N 373.453 4.575 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1oc2c(ccc3ccccc32)c1C 23056169 IOLGBJSTQPPCJS-UHFFFAOYSA-N 359.381 4.933 0 40 FJAB Brc1c(COc2cccc3ccccc23)nc2ccccn12 26532382 XPFBZMHDMGIEJI-UHFFFAOYSA-N 353.219 4.829 0 40 FJAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc(Cl)cc3)ccc(Cl)c21 31871471 CGCZVRZKLQFMBY-JTQLQIEISA-N 364.228 4.701 0 40 FJAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CNc1ccccc1Cl 32191642 LUOYBUCYPJLXEZ-DHDCSXOGSA-N 362.813 4.585 0 40 FJAB COc1cccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c1OC 33530702 YXXPETMLSKTRDH-OWBHPGMISA-N 369.442 4.719 0 40 FJAB CCCn1nc(C)c(-c2cncn2CCCOc2cccc(C)c2)c1C 34633913 MQMRGFWBSQLHBH-UHFFFAOYSA-N 352.482 4.551 0 40 FJAB C[C@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1cccc2ccccc12 40145015 KCSWVAKVWCDUEA-INIZCTEOSA-N 372.468 4.704 0 40 FJAB CC[C@H](C)[C@@H](NC(=O)CSc1ccccc1C)c1nc2ccccc2[nH]1 40146179 MAPJHDPXQXFZKP-VBKZILBWSA-N 367.518 4.867 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 40156304 TWJUAALGRUTXRS-UHFFFAOYSA-N 356.809 4.873 0 40 FJAB CCN(C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H](C)C(C)C 58168391 WDSYTSJJWSMJNI-GUYCJALGSA-N 354.441 4.741 0 40 FJAB CC(=O)N(C)c1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2)cc1 65514228 JOFMQXHOVBWFFM-UHFFFAOYSA-N 362.404 4.728 0 40 FJAB CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)c1ccco1 67890017 PHAKKQSQKKVSKR-UZLBHIALSA-N 370.493 4.778 0 40 FJAB biogenic,in-vitro CC[C@@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccccc1 71195079 RATQHWQMMSMGRC-ZDUSSCGKSA-N 356.372 4.543 0 40 FJAB O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CCSCC1 85651696 HMJCHGZKXWANAT-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB CCCOc1ccc(-c2c(C)n(O)c(CC)c(-c3ccccc3)[n+]2=O)cc1 136089115 FRCOYQYQENBMKY-UHFFFAOYSA-N 365.453 4.634 0 40 FJAB CC(=O)O[C@@H]1c2cc(Br)ccc2O[C@@H](c2ccccc2)[C@@H]1C 222069912 HFTDLEDPSINFHJ-PDSMFRHLSA-N 361.235 4.823 0 40 FJAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 225233092 YMXJXCWKWIGHMY-IBGZPJMESA-N 364.533 4.647 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(F)cc1F 225625331 XXSKUUOFPPTRTG-UHFFFAOYSA-N 364.461 4.673 0 40 FJAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225932168 XFWUZOVGJLICHC-UHFFFAOYSA-N 358.869 4.973 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1C[C@@H](C)C[C@@H](C)C1 226330196 OLHRZCSWUGSHOF-OKILXGFUSA-N 371.912 4.965 0 40 FJAB CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1 253470978 AIPKBYLCRXMHIO-QGZVFWFLSA-N 363.335 4.569 0 40 FJAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 408628175 QGSIRFPZPDCQEX-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OC 409009707 HPEBQOOYSOVCMK-GMROUXNLSA-N 369.870 4.582 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 1016816 WWRVRVMDPVNNKW-OAQYLSRUSA-N 362.379 4.956 0 40 FJAB COc1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1F 2619634 OPMDWFGNIBNCQO-UHFFFAOYSA-N 353.180 4.663 0 40 FJAB Cn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 2621324 DHRZKGJVCOVTKD-UHFFFAOYSA-N 373.428 4.516 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(OC)c1 3349552 CRFFVEROTIZWCB-SJORKVTESA-N 354.494 4.668 0 40 FJAB Fc1cccc(Cl)c1CSc1nnc(-c2ccc3c(c2)OCO3)o1 3352569 DOCJSLNCIPJZJC-UHFFFAOYSA-N 364.785 4.550 0 40 FJAB CCC(CC)c1nnc(NC(=O)CCCc2c[nH]c3ccccc23)s1 3398290 DBCZQLFGFVXCLB-UHFFFAOYSA-N 356.495 4.884 0 40 FJAB CSCc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2ccccc12 3407221 FYHSMSAGGFSGBU-UHFFFAOYSA-N 358.488 4.883 0 40 FJAB Cc1ccc(NC[C@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3)c(C)c1 3648922 CBQPEPQQQHZPFT-IBGZPJMESA-N 362.517 4.918 0 40 FJAB CC(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078409 FHLMMZVQXAGLTP-UHFFFAOYSA-N 367.518 4.559 0 40 FJAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc21 4649732 PAXPEGRBYGPGMO-UHFFFAOYSA-N 366.273 4.611 0 40 FJAB O=C(Cc1ccc(F)cc1)Nc1ccc(F)cc1C(=O)Cc1ccccc1 4761519 OISRLDHMAIESGF-UHFFFAOYSA-N 365.379 4.571 0 40 FJAB O=C(NCCC1=CCCCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12 4771073 RTFWWLLDLABHNF-UHFFFAOYSA-N 372.468 4.796 0 40 FJAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc3cc4c(cc3cc12)CCC4 4929920 ZKKBHXHJFYSZKU-UHFFFAOYSA-N 362.429 4.891 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3[C@H](C)CCC[C@H]3C)cc12 4996622 WATZDTPPZIVVRV-ZIAGYGMSSA-N 353.491 4.799 0 40 FJAB COc1nc2cc(C)ccc2cc1-c1noc(-c2ccc(Cl)cc2)n1 5556995 ARACGMXMROVYIF-UHFFFAOYSA-N 351.793 4.922 0 40 FJAB Cc1ccc(CC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1C 6165097 SDJFYUPGKWBGSV-UHFFFAOYSA-N 370.448 4.843 0 40 FJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1C 6339875 LIZBYHISPJFTPY-JXMROGBWSA-N 360.251 4.726 0 40 FJAB O=c1[nH]c(/C(Cl)=C/c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc12 6622501 LDGISTUNXDDXCF-QPEQYQDCSA-N 368.717 4.818 0 40 FJAB COc1cccc(OCc2nc3ccccc3n2CCc2ccccc2)c1 6753116 IBLNMSPWIMSAGQ-UHFFFAOYSA-N 358.441 4.867 0 40 FJAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 6840019 KWVUVFWFEMFHOM-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB CSc1ccc(CN(C)Cc2c(NC(C)=O)sc3c2CCCC3)cc1 6905503 ICVZKJRCPUSUBC-UHFFFAOYSA-N 374.575 4.939 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)OCc1nc2ccccc2s1 8353563 ZWQJDMMJDRMKHQ-UHFFFAOYSA-N 372.496 4.767 0 40 FJAB Cc1ccc(-n2nc(CSc3nc4ccccc4o3)cc2O)cc1C 9937186 PKJIVCCMBHLGCQ-UHFFFAOYSA-N 351.431 4.628 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1nc(-c2ccccc2)oc1C 10540275 GDXCFYLUKSAPBU-UHFFFAOYSA-N 372.428 4.705 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2sccc2C)cs1 10647302 PDFIHUDBRVHCCH-UHFFFAOYSA-N 372.471 4.555 0 40 FJAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)CC(C)(C)C)cs1 11481699 FCMJXUMVOWBNDD-UHFFFAOYSA-N 374.506 4.924 0 40 FJAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1nc2ccccc2s1 11867505 FNIQFMSQMDSXLP-UHFFFAOYSA-N 369.446 4.740 0 40 FJAB Cc1ccc(C)c(-n2cnn(CN3CCC[C@@H]3c3ccccc3)c2=S)c1 12597689 SDVLHOIQZZJTQW-LJQANCHMSA-N 364.518 4.815 0 40 FJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1C 12754697 NELLXEMRLPPGJR-IRXDYDNUSA-N 365.473 4.558 0 40 FJAB Cc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12929298 CAXWVMNJCPPYNX-QFIPXVFZSA-N 362.498 4.643 0 40 FJAB Cc1ccc(OCCNC(=O)c2sc(-c3ccsc3)nc2C)c(C)c1 15480473 GQBMXBBJQISSPD-UHFFFAOYSA-N 372.515 4.606 0 40 FJAB Cc1c(-c2cc(Br)ccc2O)nc2cc3c(cc2c1C)OCO3 15952952 YUVNIOOWFZQNDS-UHFFFAOYSA-N 372.218 4.715 0 40 FJAB Cc1nn2c(=O)c(Cc3ccc(Cl)cc3)c(C)[nH]c2c1-c1ccccc1 18222803 BAKHQKXTQDHWFQ-UHFFFAOYSA-N 363.848 4.551 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1Cl 20039094 YFWDCTGBSDYYLG-SNVBAGLBSA-N 358.652 4.731 0 40 FJAB Cc1ccc(CN(C)C(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 23602460 IDEMOBQIJRMGKX-UHFFFAOYSA-N 366.486 4.611 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)cc1 30865516 XHHDRLKUUVCTCS-JOCHJYFZSA-N 363.457 4.664 0 40 FJAB CCOc1ccc(-c2csc(SCc3ccc(C(=O)O)o3)n2)cc1 35587861 DFAJFNOHAGEKNC-UHFFFAOYSA-N 361.444 4.792 0 40 FJAB COC(=O)c1ccccc1Nc1c(-c2cccs2)nc2cc(C)ccn12 35616081 FEVMIEPNVNISPC-UHFFFAOYSA-N 363.442 4.901 0 40 FJAB CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)CCc1ccc(O)cc1 45607129 UPOOHVIXSFYPBD-ZDUSSCGKSA-N 366.914 4.660 0 40 FJAB CC(C)Oc1cccc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)c1 49544589 DIUWOJJLBPSBQK-KRWDZBQOSA-N 359.495 4.850 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)cc1 57945622 LCJDLORHHBJWEB-QGZVFWFLSA-N 372.468 4.595 0 40 FJAB COc1ccc2cc(-c3cc(C(=O)O)nn3-c3ccc(C)cc3)ccc2c1 59472451 VMISPCLSXKNQGH-UHFFFAOYSA-N 358.397 4.708 0 40 FJAB Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ncccn3)n2)cc1C 72375798 NEUPZJBLTYHRNP-FQEVSTJZSA-N 359.477 4.569 0 40 FJAB FC(F)(F)CCN(Cc1nnc(Cc2ccccc2)o1)C1CCCCC1 75108878 NJTZQZPMVZSMDD-UHFFFAOYSA-N 367.415 4.748 0 40 FJAB C[C@H](NC(=O)Nc1cccc(N2CCCCC2)c1)c1ccc(F)cc1F 84651675 UPBUNGYRSZDEMM-AWEZNQCLSA-N 359.420 4.838 0 40 FJAB CCOC(=O)c1cc(NC(=O)CCSc2ccccc2)ccc1Cl 216432326 KZIXETWQKKANQL-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223386146 SUJMGAJTZBKPJM-KRWDZBQOSA-N 369.505 4.946 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc(C)c1Cl 223574705 BLUKYSSIPOYNGB-INIZCTEOSA-N 359.897 4.862 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1OCC 224303267 QMTNZIJJJJIYLR-SFHVURJKSA-N 369.505 4.911 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(C)c2)cc1 225170389 BODMXFHALADTCP-UHFFFAOYSA-N 369.461 4.532 0 40 FJAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c2cccnc12 225901216 ZWZRTVJVOXHFHQ-AOMKIAJQSA-N 370.493 4.948 0 40 FJAB CCCCC[C@@H]1O[C@H](OC)c2c3c(cc(O)c2[C@H]1OC)C=CC(C)(C)O3 252515168 HSPFKRKQHGQFJG-YSSFQJQWSA-N 362.466 4.888 0 40 FJAB biogenic,in-vitro CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccccc1 408571862 CYDKVRYZVGKJGK-UHFFFAOYSA-N 367.470 4.723 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 408703084 MSTCCPRORPCRNV-LRYXAPPNSA-N 355.522 4.836 0 40 FJAB Cc1ccc(-c2nc(NC(=O)CC[C@@H](O)c3ccccc3)sc2C)cc1 409206658 ZNLHKUPXLBPMFI-GOSISDBHSA-N 366.486 4.879 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C(C)C)C3CCC3)cc12 525383966 JHKRLSGIWMIYQU-UHFFFAOYSA-N 353.491 4.799 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1Cl 575610128 KNBCJDYGVDKYOH-SFHVURJKSA-N 357.862 4.532 0 40 FJAB O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-n1cccc1 1524890004 KZWRCLAGGIIDRP-LSDHHAIUSA-N 350.384 4.576 0 40 FJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 1336661 GTJRFRBMILFIMW-UHFFFAOYSA-N 360.816 4.606 0 40 FJAB Fc1cccc(F)c1CSc1nnc(-c2ccco2)n1Cc1ccco1 2388472 JISVSTPBXXDUDT-UHFFFAOYSA-N 373.384 4.750 0 40 FJAB CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1 2483591 CSRRIYMZCVJAAV-UHFFFAOYSA-N 363.514 4.942 0 40 FJAB COc1ccc(C)cc1NC(=O)COc1cccc(Oc2ccccc2)c1 2645566 BTWOZXCNLOYERD-UHFFFAOYSA-N 363.413 4.813 0 40 FJAB O=C(/C=C/c1cccs1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3281589 OYTOOCLXGBPXRE-VAWYXSNFSA-N 352.386 4.737 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc2ccccc2c1 3487059 XVCSOSLYXMSOLF-UHFFFAOYSA-N 354.837 4.861 0 40 FJAB O=C(c1ccc(Cl)cc1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 4040088 DXXMIUYLXMDARA-QRWLVFNGSA-N 365.816 4.631 0 40 FJAB COc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C 4930821 DHAMFJNEHQWNFX-UHFFFAOYSA-N 363.442 4.632 0 40 FJAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc(F)c1 6170152 LMAOAYWWOKHDRI-UHFFFAOYSA-N 359.466 4.575 0 40 FJAB COc1ccc(Cl)cc1-n1c(S)nnc1-c1cccc(Cl)c1 6181976 FHRWMNKSERVEJD-UHFFFAOYSA-N 352.246 4.538 0 40 FJAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1 6243452 YHILNIHNIKAKCW-AWEZNQCLSA-N 356.491 4.726 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccsc1)S[C@@H](C)C(=O)N2 6679242 PPUITQVGVKEARQ-MEDUHNTESA-N 373.478 4.545 0 40 FJAB Cc1cc(Nc2cccc(C(=O)O)c2)nc(SCc2ccccc2)n1 7996523 NGBQJVBONJVMQJ-UHFFFAOYSA-N 351.431 4.519 0 40 FJAB CC(C)COc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 8613218 BIGDYHAEDOBLGJ-NRFANRHFSA-N 372.553 4.592 0 40 FJAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc21 9134205 GQLLUKMFJNKOOI-UHFFFAOYSA-N 363.244 4.545 0 40 FJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@H](C(F)(F)F)C4)cc3c2C1 10285220 IIJWBSVNEMEXOM-OCCSQVGLSA-N 364.411 4.707 0 40 FJAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 13401778 ZKQQOOHTHSRIDX-ZRZAMGCNSA-N 355.437 4.974 0 40 FJAB biogenic CC[C@@H](C)Sc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1 13774639 JJZQZFSMBWLKBC-CQSZACIVSA-N 366.486 4.546 0 40 FJAB CCCc1cc(O)nc(SCC(=O)Nc2ccc3ccccc3c2)c1 13785665 WHTLNOFXQCKODI-UHFFFAOYSA-N 352.459 4.624 0 40 FJAB O=C(c1cc(Cl)ccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 14349471 JDASNZLGPYPOKH-UHFFFAOYSA-N 354.812 4.890 0 40 FJAB COc1cccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c1 17198372 KHJQZORSLQICMY-MRXNPFEDSA-N 354.258 4.781 0 40 FJAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3ccc(F)cc3)c2C)cc1 17312241 VDFKPMXXZLAEAU-MRXNPFEDSA-N 351.469 4.847 0 40 FJAB Cc1csc(SCc2cc(=O)oc3cc(Br)ccc23)n1 22557152 QIFHOZAEEAJZQA-UHFFFAOYSA-N 368.277 4.613 0 40 FJAB FC(F)(F)c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)nc1 26759801 UOCCXXQRJKNNOC-UHFFFAOYSA-N 358.747 4.527 0 40 FJAB CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 26955900 QIHUWFDZLVDEDO-UHFFFAOYSA-N 350.365 4.521 0 40 FJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc(C(C)C)cs1 32914370 DWGKJMBWPUCFJZ-UHFFFAOYSA-N 357.504 4.875 0 40 FJAB Cc1ccc(-n2ccnc2SCC(=O)NCCC2=CCCCC2)c(C)c1 32957394 QZBXREGPZKKTTD-UHFFFAOYSA-N 369.534 4.588 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSc1ccc(C)cc1 38754712 OOHFATCUCPJMLV-QGZVFWFLSA-N 363.910 4.714 0 40 FJAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(-c2nccs2)cc1 40079843 NVGVKLNIGOUOTO-UHFFFAOYSA-N 359.454 4.782 0 40 FJAB Cc1nc(NC(=O)CCCc2nc(C(C)C)no2)sc1-c1ccccc1 40133474 FPIIYBQVUOIWQO-UHFFFAOYSA-N 370.478 4.586 0 40 FJAB CC(C)N(Cc1ccccn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 40155229 FJOLWRASYXZRLK-UHFFFAOYSA-N 362.498 4.960 0 40 FJAB Cc1ccc(CN(C)C(=O)c2ccccc2SCc2c(C)noc2C)o1 40159493 SACLGRJWGMDRIW-UHFFFAOYSA-N 370.474 4.757 0 40 FJAB COc1ccc(Cl)c(NC(=O)c2ccc(F)cc2Br)c1 43318734 UFFHFKGADCEYOV-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@H](NCc1cccs1)c1ccccc1 57024548 RFSZZHAMOCZYAR-HXUWFJFHSA-N 366.486 4.535 0 40 FJAB CN(Cc1ccccc1)c1ccccc1NC(=O)c1cnc2ccccc2n1 64360036 MAZKVHNEEQOEEA-UHFFFAOYSA-N 368.440 4.519 0 40 FJAB O=C([C@@H]1C[C@H]1c1ccccc1F)N(Cc1ccccn1)c1ccc(F)cc1 79140518 OWETXHFQRCNJMH-VQTJNVASSA-N 364.395 4.697 0 40 FJAB O=C([C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 92076444 SFOQURGHBGBDAH-JOCHJYFZSA-N 367.464 4.527 0 40 FJAB O=C(c1ccccc1OCc1cccnc1)N1CCC[C@@]2(CC=CCC2)C1 95399738 CVYKXQICBVCRDO-QHCPKHFHSA-N 362.473 4.623 0 40 FJAB O=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1[C@H](O)C(F)(F)F 95465506 QLRKWNMXPURBMC-LIRRHRJNSA-N 363.379 4.731 0 40 FJAB CCOc1ccc(C2=NN(C(=O)CC)[C@@H](c3ccc(CC)cc3)C2)cc1 97105878 AGXOQOIHUBFNLH-OAQYLSRUSA-N 350.462 4.735 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 105596696 BOIWGZPQCMOVOM-BJYBSSFYSA-N 373.496 4.921 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)cc1 113968895 DUQOKVGSZYNSKR-NRFANRHFSA-N 355.478 4.510 0 40 FJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)SCc2ccccc2)s1 223164558 JZUOWNQLRVBRHF-GFCCVEGCSA-N 367.565 4.547 0 40 FJAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 223197741 OGBLDPAUERFJFD-GOSISDBHSA-N 369.505 4.643 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(C)c(C)c1 224293223 GMLAVPKRFZRJAU-UHFFFAOYSA-N 353.462 4.517 0 40 FJAB CCOc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2ccccc21 225575818 YNQOHDRVIZVSFH-INIZCTEOSA-N 356.491 4.674 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2C)no1 225815628 YKUASRXBIUBEBL-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2C)cc1 226287909 DTARRZUWWSTMKH-UHFFFAOYSA-N 356.425 4.716 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccccc1 408706073 UQPLDBKTKYQEPI-MRXNPFEDSA-N 357.519 4.660 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(O)n4)cc3)sc2c1 559544263 MQDJJUVFVGOGNF-UHFFFAOYSA-N 361.426 4.625 0 40 FJAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccc(C)cc1 575410895 KULXPHIEZBZTNN-UHFFFAOYSA-N 372.424 4.898 0 40 FJAB COc1cccc2cc(C(=O)N(C(C)C)[C@H]3CCCc4cccnc43)oc12 585080021 VTRQYRPHCVKBNF-KRWDZBQOSA-N 364.445 4.765 0 40 FJAB CC(C)C(CN1CCC(O)(c2ccccc2C(F)(F)F)CC1)C(C)C 1664577039 LQRAMDRQNGTFCJ-UHFFFAOYSA-N 357.460 4.917 0 40 FJAB CCc1c(C)sc(NC(=O)/C=C/c2ccccc2)c1C(=O)OC(C)C 673359 ZTKSSHAEQKIMTR-VAWYXSNFSA-N 357.475 4.836 0 40 FJAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC=O 727452 FWZZLYVFOMSQSK-UHFFFAOYSA-N 351.427 4.827 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1 976122 DGUVALVDIOFQLP-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CCC(=O)OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1912311 VMRJJIAKTHYIAI-UHFFFAOYSA-N 369.852 4.705 0 40 FJAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1 3265232 QPLORZQNBDOENU-UHFFFAOYSA-N 351.874 4.674 0 40 FJAB CCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[n+]3c2SCC3)cc1 3285190 HQUYMWZHIOKIES-UHFFFAOYSA-N 357.886 4.590 0 40 FJAB O=C([C@@H]1CCCO1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3360457 QXDCCNRMIKJNSG-HNNXBMFYSA-N 358.850 4.793 0 40 FJAB O=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)c1ccco1 3765511 RLBAIGGRVCDVIV-UHFFFAOYSA-N 358.441 4.645 0 40 FJAB CCOc1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1OC 4168517 MLLKFWAXTZBFGI-DHZHZOJOSA-N 363.413 4.738 0 40 FJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1Cl 4354528 MNEWQHHKAPBNJU-UHFFFAOYSA-N 353.788 4.660 0 40 FJAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 4375323 XFDLZJWSVZIKNQ-UHFFFAOYSA-N 360.841 4.575 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C)n2c(nc3ccccc32)N1 4731470 MCGZYJCSWFAAQW-HXUWFJFHSA-N 361.445 4.585 0 40 FJAB CC(C)c1ccccc1OCC(=O)NCCOc1cccc2ccccc12 5644745 MJLDTHKDWZOBQV-UHFFFAOYSA-N 363.457 4.537 0 40 FJAB CCCCc1ccc(NC2=NC(=O)[C@H](Cc3ccc(OC)cc3)S2)cc1 5869443 QEPPRLMSBLVGDM-IBGZPJMESA-N 368.502 4.690 0 40 FJAB CCc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccccc1)=N2 6844119 YKKCQLDLRNSMKB-UHFFFAOYSA-N 355.441 4.692 0 40 FJAB CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(N(C)C(C)=O)cc2)cc1 6938138 BHJWNYFZCXDJEO-CQSZACIVSA-N 355.507 4.992 0 40 FJAB COc1cccc(CSc2nnc(Cc3cccs3)n2C2CC2)c1 7843805 OUBYHXRZCSZJHK-UHFFFAOYSA-N 357.504 4.566 0 40 FJAB Fc1cccc(Nc2nnc(Sc3ncnc4sccc34)s2)c1 8327273 BRQRRVWAYDEMBI-UHFFFAOYSA-N 361.452 4.577 0 40 FJAB CN(C)CCCNCc1c(OCc2ccccc2F)ccc2ccccc12 8373823 IPDWRKLESKUKQT-UHFFFAOYSA-N 366.480 4.599 0 40 FJAB CC(=O)O[C@H]1CC[C@]2(C)C(=C(C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 8622409 OBZYXEMSAJPCRP-HTVUKHQJSA-N 374.521 4.813 0 40 FJAB CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 9573693 YVSHMQJZAMFJDQ-UHFFFAOYSA-N 357.461 4.899 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 11585274 MZJIXMJJLFUZBP-MRXNPFEDSA-N 360.244 4.847 0 40 FJAB CCOc1ccc(-n2ccnc(SCc3ccccc3Cl)c2=O)cc1 12361012 RKVJICWPPBXPBB-UHFFFAOYSA-N 372.877 4.577 0 40 FJAB CC(=O)c1c(C)nc(C)nc1S[C@H](C)C(=O)Nc1ccccc1C(C)C 12741121 TXAGCOQDERMVLF-CQSZACIVSA-N 371.506 4.539 0 40 FJAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 13668922 YRNCGAMDLCJKDM-GOSISDBHSA-N 353.506 4.809 0 40 FJAB O=C(NCCN1CCCCCC1)c1ccccc1SCc1ccccc1 13679933 FBCZAPIWSMBPHE-UHFFFAOYSA-N 368.546 4.585 0 40 FJAB COc1cccc(-c2nc(C)c(C(=O)N3CCCc4ccccc43)s2)c1 13727300 MGWXNRTUUGDDEZ-UHFFFAOYSA-N 364.470 4.720 0 40 FJAB COc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1Cl 15832625 XHOHRSAVBJHYOW-UHFFFAOYSA-N 372.877 4.711 0 40 FJAB Cc1cc2oc(C(=O)Nc3ccc4nsnc4c3)c(C)c2cc1Cl 15841350 HZQXQSUZJHPGLB-UHFFFAOYSA-N 357.822 4.960 0 40 FJAB CC(=O)O[C@@H]1Oc2ccc(Cl)cc2-c2oc(=O)c(-c3ccccc3)cc21 16321685 GIRXDELOOXMBQP-HXUWFJFHSA-N 368.772 4.581 0 40 FJAB CSc1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20043777 HBKALLBXOQQKNQ-INIZCTEOSA-N 354.519 4.893 0 40 FJAB COc1ccc(-c2csc(NC(=O)Nc3ccccc3C)n2)cc1OC 27753054 VWDZNOSDDACFHN-UHFFFAOYSA-N 369.446 4.780 0 40 FJAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cc2ccccc2o1 28441432 LYJJRGYVJIBJTH-HNNXBMFYSA-N 371.440 4.987 0 40 FJAB Clc1snnc1CSc1nc2ccccc2n1-c1ccccc1 29815999 OYRIKCCPSQNSNY-UHFFFAOYSA-N 358.879 4.823 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 31535026 CSNNVGPDTPIZMZ-UHFFFAOYSA-N 364.470 4.700 0 40 FJAB CCOc1cccc2cc([C@@H](C)NC(=O)NCCc3ccc(F)cc3)oc12 32754914 QCKVJAGEPINDRV-CQSZACIVSA-N 370.424 4.574 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1C 38771546 MUFVSLMRVRZYSU-LJQANCHMSA-N 359.469 4.977 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38833399 MMTZZBNAMWUZQO-SFHVURJKSA-N 356.897 4.808 0 40 FJAB Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 40024054 VPHINDRQETVFLK-UHFFFAOYSA-N 371.912 4.743 0 40 FJAB COc1cccc(-c2nnc(S[C@H]3CCCc4ccccc43)n2C)c1 40127479 HDESOCPNHIAISG-SFHVURJKSA-N 351.475 4.660 0 40 FJAB COC(=O)c1ccc(Nc2ccnc3ccc(Br)cc23)cc1 40175588 VOUGMBIOHJWRAP-UHFFFAOYSA-N 357.207 4.528 0 40 FJAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 40485976 JMHCMDXPBLBLIJ-HXUWFJFHSA-N 363.388 4.780 0 40 FJAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)ccc21 48252747 HCRIOUDVVLGHFJ-UHFFFAOYSA-N 371.440 4.592 0 40 FJAB Nc1nc(-c2cccc(Cl)c2)cc(-c2cccc(Br)c2)n1 71977615 RJCYIUFLIZEPSZ-UHFFFAOYSA-N 360.642 4.809 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCC2)nc1 72213869 FPAIAEYNPMBOPY-FQEVSTJZSA-N 365.477 4.910 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380274 FTMNGUNDIYXOSV-KRWDZBQOSA-N 355.457 4.502 0 40 FJAB CCSC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695120 XKWGBCGMOWRTGW-UHFFFAOYSA-N 354.397 4.727 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1 101170512 DYVDQEAIUSQUSK-XLIONFOSSA-N 356.466 4.884 0 40 FJAB CC(C)c1ccc(OCC(=O)NC(C(C)C)C(C)C)c(Br)c1 218870678 CTTBKUBHZQNDMI-UHFFFAOYSA-N 370.331 4.748 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059363 FRJVNTYVBIVBHQ-WMLDXEAASA-N 373.880 4.834 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 219310216 DOBNLNLIGBLOOA-PKOBYXMFSA-N 367.489 4.798 0 40 FJAB CC[Si](CC)(CC)c1cc(C(=O)O)c(F)c([Si](CC)(CC)CC)c1 219788994 FOESVMNOXHKULF-UHFFFAOYSA-N 368.641 4.955 0 40 FJAB Cc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225298068 DVHPETTUQBXRQB-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB Cc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 225644917 XIDOHORHNWECJP-UHFFFAOYSA-N 371.072 4.838 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 225718008 ZWBOMTKQYCSOAM-HNNXBMFYSA-N 364.898 4.795 0 40 FJAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(OCc2ccccc2Cl)c1 225776708 QIVDOJCHNNXIQO-SXGZJXTBSA-N 355.865 4.837 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C)n1 225862205 JFSLFJAVFRGQSA-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccn2)cc1 248382510 XCEBRQILBLPODQ-GMAHTHKFSA-N 371.440 4.723 0 40 FJAB CO[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 253473774 YJPPZVKLBDIGQN-KRWDZBQOSA-N 364.228 4.857 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccccc2)cc1 408698503 QISBFVLXVPHSEG-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/C=C/c2ccccc2)S1 408809186 KPWAQJOUVBTECO-UHFFFAOYSA-N 371.869 4.668 0 40 FJAB CCN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1 948991 NPDCVVMVRVILGD-UHFFFAOYSA-N 374.532 4.736 0 40 FJAB COc1ccc(-c2nn3cc(-c4ccc(F)cc4)c4c3n2CCCC4)cc1 1072307 WLFWFNRNNJANBV-UHFFFAOYSA-N 361.420 4.954 0 40 FJAB C[C@@H](NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccccc1 2322264 UFSKYRUFWVCZIA-SNVBAGLBSA-N 362.212 4.591 0 40 FJAB COc1cc(C(=O)NC2CCCCCC2)ccc1OCc1ccccc1 2643049 DTBRMWUVTIKVIX-UHFFFAOYSA-N 353.462 4.727 0 40 FJAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@H](C)C4)cc1 3893848 JXBSQRRWBJMEJW-AWEZNQCLSA-N 369.486 4.921 0 40 FJAB CCCCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1 4664702 XFFCOFZJNYKZSH-CYVLTUHYSA-N 367.880 4.864 0 40 FJAB Cc1nn([C@@H](C)c2ccccc2)c2c1[C@H](c1ccccc1)SCC(=O)N2 4671046 HYRNMHWKPGYXFR-YWZLYKJASA-N 363.486 4.576 0 40 FJAB COc1ccc2ccccc2c1/C=C1\CCn2c1nc(=O)c1ccccc12 5021769 ZCLWEZVEBPXYHK-JQIJEIRASA-N 354.409 4.503 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)cc1F 5083816 JVUKQFKTYKMJLZ-UHFFFAOYSA-N 355.369 4.593 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)c1 5635965 QYCWNETXSSXQDK-IBGZPJMESA-N 365.454 4.902 0 40 FJAB Cc1sc2nc(/C(Cl)=C/c3ccc(Cl)cc3)[nH]c(=O)c2c1C 5696287 KROILRMFVOQRRV-GHXNOFRVSA-N 351.258 4.992 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(C)c3O)c2cc1C(C)C 5986931 UZHZHXRPBXTGKE-UHFFFAOYSA-N 366.413 4.596 0 40 FJAB Cc1sc(NC(=O)c2cn3ccccc3n2)nc1-c1ccc(Cl)cc1 8013082 JDVPLDYOSJPWJI-UHFFFAOYSA-N 368.849 4.672 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CSC1=Nc2ccccc2CS1 9363847 NGZSBWXODPGGTK-CYBMUJFWSA-N 372.515 4.540 0 40 FJAB Cc1cc(Br)ccc1NC(=O)c1csc2c1CCCC2 12778062 XGDNCMSFRONZPW-UHFFFAOYSA-N 350.281 4.950 0 40 FJAB COc1cccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)c1 12902961 GFDNCEWOSAEYDF-UHFFFAOYSA-N 357.431 4.512 0 40 FJAB Cn1c(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2ccccc21 13719532 OXANQKNXISCEDV-UHFFFAOYSA-N 368.868 4.638 0 40 FJAB Cc1ccc(-c2nc(CC(=O)Nc3cccc4cccnc34)cs2)cc1 14136408 QHTMPTICZDMSJW-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 14187116 XFADAXAJQOINSR-INIZCTEOSA-N 362.395 4.566 0 40 FJAB CCOC(=O)C1=C(C)S[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 15996933 RLLJSEPLPUEYQJ-QUCCMNQESA-N 352.455 4.606 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c(OC)cc1Cl 16201354 FMFBYPZDHFFPLA-VAFIWLDWSA-N 361.825 4.726 0 40 FJAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18024287 TYRSUUSHGPMFIA-ZTFGCOKTSA-N 373.374 4.779 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccccc2CC)C(=S)N1 21117981 VIIBIBCFWMIDGE-DYESRHJHSA-N 352.503 4.746 0 40 FJAB O=c1c2scc(-c3ccccc3)c2ncn1Cc1cccc(Cl)c1 23126385 QYAFTOYCPSUJNX-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB COc1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 23909167 FSEOBARBLMICGZ-HSZRJFAPSA-N 370.452 4.890 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)c2cccc3cccc1c23 24634332 GNJSJAWBGPFAMB-UHFFFAOYSA-N 370.374 4.908 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)Cc1c(C)nc2ccccc2c1C 25113062 LOQKHHWLZBYCHS-KRWDZBQOSA-N 362.473 4.622 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1cccs1 25406970 PZWULTGLJCHVSF-INIZCTEOSA-N 352.459 4.699 0 40 FJAB Cc1ccc(Cn2nccc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 28292710 QWBJGDXYGDSBJK-UHFFFAOYSA-N 359.429 4.855 0 40 FJAB COc1ccc(C)cc1[C@@H](C)NCc1ccc(OCc2ccncc2)cc1 30628297 LWILGYLIPWKHJS-GOSISDBHSA-N 362.473 4.828 0 40 FJAB Cc1ccccc1OCCN(C)C(=O)c1cc(C2CC2)nc2ccccc12 32788613 XTPWRCXUZAEYDN-UHFFFAOYSA-N 360.457 4.572 0 40 FJAB CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38835262 JBFLJYAULQGANJ-GOSISDBHSA-N 356.897 4.753 0 40 FJAB Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c(C)c1 40074775 RKMFXUBUMZNNHB-UKTHLTGXSA-N 358.441 4.929 0 40 FJAB CC(C)c1noc(CCCC(=O)N[C@H](CC(C)(C)C)c2ccccc2)n1 40134268 VREVGHQSHYCLNM-QGZVFWFLSA-N 357.498 4.809 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)cc1 44880424 NREGCEYFVNFGJF-FXAWDEMLSA-N 355.478 4.655 0 40 FJAB C[C@H]1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)c2ccccc21 58246034 LUHRAQRTBLHBHV-KRWDZBQOSA-N 371.484 4.989 0 40 FJAB Cc1ccc(CN(Cc2ccco2)c2nccc(C(F)(F)F)n2)s1 71832790 OYYUEMMZOKHLDC-UHFFFAOYSA-N 353.369 4.665 0 40 FJAB Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1NC(=O)c1ccco1 72303337 JACSXLXYJJIREJ-IIBYNOLFSA-N 374.440 4.674 0 40 FJAB Cc1nc(C(=O)Nc2ccc(C(F)(F)F)nc2)c(-c2ccccc2)s1 79495473 SSHMVQKOCCDTPV-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB O=C(N[C@@H](SCc1ccccc1)C(=O)c1cccs1)c1ccccc1 96346701 KAVQFCSLYIMAHU-FQEVSTJZSA-N 367.495 4.620 0 40 FJAB Cc1cccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222745364 OMMDGBKJDXJTCD-IBGZPJMESA-N 369.530 4.955 0 40 FJAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)ccc4Cl)cn1c23 223094785 KKJMHMJSBUWECU-SNVBAGLBSA-N 373.239 4.678 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1COc1cccc2ccccc12 224305025 AXUOULHJKKSBPQ-UHFFFAOYSA-N 361.441 4.663 0 40 FJAB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OC 408556543 KOQHJLCYVOAWFG-SFHVURJKSA-N 363.866 4.526 0 40 FJAB CCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408629135 ZXKJCDKOGSVRSP-UHFFFAOYSA-N 372.424 4.824 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)CC1 408709883 YVBAKYBZZAQKLK-UHFFFAOYSA-N 374.525 4.524 0 40 FJAB COc1ccc(-c2nnc(N(C)CC3CCCC3)n2CC2CCCC2)cc1 1315388417 SLBYQMHENOJHER-UHFFFAOYSA-N 368.525 4.770 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)CC2CCCC2)CN1c1ccc(F)cc1 1615125095 YSJKREVRRDRQBG-QFIPXVFZSA-N 358.501 4.756 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c(C)s1 1354447 RZNQISBBULKFNN-UHFFFAOYSA-N 363.486 4.672 0 40 FJAB COc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)c(OC)cc1Cl 1738516 RFTSQVQVFZRYGO-UHFFFAOYSA-N 359.184 4.794 0 40 FJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc2ccccc2o1 2627255 JESLSXLWIAVEJK-UHFFFAOYSA-N 372.428 4.670 0 40 FJAB CC(C)(C)c1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)cc1 4329921 FDQNKSOMAMGMQO-NRFANRHFSA-N 374.488 4.818 0 40 FJAB COc1cc(NC(=O)c2ccccc2C)ccc1NC(=O)c1cccs1 4487798 HJOGUFLEPYXQAB-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)o2)cc1 4925796 KHCVQWWHLOLDST-CQSZACIVSA-N 367.474 4.727 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccccc1Cl 4939399 MCVLGQPIHKDMQJ-VAWYXSNFSA-N 359.816 4.605 0 40 FJAB CCn1c([C@@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235902 WJQKMKKUJOSKHS-CQSZACIVSA-N 353.853 4.539 0 40 FJAB COc1cccc2c1Oc1nc(-c3ccc(SC)cc3)nc(S)c1C2 6009494 NEAOIBXILPBMML-UHFFFAOYSA-N 368.483 4.859 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 6362072 KUAIVLJCUMNDCX-UHFFFAOYSA-N 374.289 4.674 0 40 FJAB O=C(/C=C/c1ccc2ccccc2n1)OCc1ncc(-c2ccccc2)o1 6558617 OGEAMNJODTWQOV-OUKQBFOZSA-N 356.381 4.646 0 40 FJAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 6594963 ZSRJYEHDGXVNQM-IBGZPJMESA-N 354.450 4.626 0 40 FJAB Cc1cccc(OCCCn2c([C@@H](O)c3ccccc3)nc3ccccc32)c1 6753125 AUCWDWURZFRNAA-QHCPKHFHSA-N 372.468 4.896 0 40 FJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(F)cc1 8000673 WNILHNPXIASNIZ-LJQANCHMSA-N 372.490 4.535 0 40 FJAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1Cl 8769986 HEPXOEZQMDAFPB-UHFFFAOYSA-N 357.866 4.769 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135406 KQLSMLFPPUAEGD-UHFFFAOYSA-N 372.424 4.938 0 40 FJAB COc1ccc(C)cc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 10214027 JUBQHEJJRJRDIL-UHFFFAOYSA-N 360.479 4.610 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)c1 10546901 CHRMFKHAGRJFSR-TZZQJPOUSA-N 359.473 4.599 0 40 FJAB c1ccc(-c2nc(CSc3ncn(-c4ccccc4)n3)cs2)cc1 12267728 NZIKJIFQNQAJOC-UHFFFAOYSA-N 350.472 4.683 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Cl)c3)c12 12746769 AJFCVFRYYTUWAA-UHFFFAOYSA-N 353.765 4.697 0 40 FJAB c1ccc([C@@H]2c3ccsc3CCN2Cc2nc(-c3ccco3)no2)cc1 12765345 SXRICRAEUCOPCJ-LJQANCHMSA-N 363.442 4.539 0 40 FJAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 17112771 LXDZTLNSPMCIRD-UHFFFAOYSA-N 350.462 4.654 0 40 FJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1 19559893 YAUDJTQUKXOPPD-SFHVURJKSA-N 358.532 4.904 0 40 FJAB C[C@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2OC(=O)c2ccccc2)N1C 20111483 WESAJBQBYCQVNO-IMRHEYAYSA-N 373.452 4.996 0 40 FJAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20137160 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4.663 0 40 FJAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cc2ccccc2o1 32095224 WLBDGYLAZBWMML-UHFFFAOYSA-N 371.352 4.594 0 40 FJAB O=C(Nc1nncs1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32502377 ISGOQGVRGQKITO-UHFFFAOYSA-N 373.743 4.723 0 40 FJAB COc1ccc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2c1 35671381 MQMVRSKKZLVCCJ-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB Cc1cccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 36247004 UEDDBXJISKNBTI-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 40089231 QYDHJDICFAQKOC-UHFFFAOYSA-N 361.854 4.640 0 40 FJAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078396 RPUAJUVZIGFQAL-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB O=C(NCc1ccoc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 53039535 SZXOJXLAUQGNPJ-UHFFFAOYSA-N 362.360 4.671 0 40 FJAB O=C(c1csc(-c2cccs2)n1)N(CCC(F)(F)F)CC1CC1 75108205 SLNYAFCCJOWPCV-UHFFFAOYSA-N 360.426 4.676 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CCC(CSCc2ccco2)CC1 85472409 OWPJEKOEHUKNGU-UHFFFAOYSA-N 367.873 4.858 0 40 FJAB 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Cc1cccc(Cc2ccccc2C(=O)OCCCCCC(=O)O)c1C 2060993732 GTHPIQOHGJLXHC-UHFFFAOYSA-N 354.446 4.696 0 40 FJAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 670733 KMJLDZFPMQDDHJ-JKSUJKDBSA-N 369.486 4.546 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)C)cc2)cc1 1329938 JKRUOOKBTQBEFR-HXUWFJFHSA-N 365.477 4.753 0 40 FJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(Cl)cc1 2721894 HGXSSDBXJVNIGT-UHFFFAOYSA-N 373.865 4.807 0 40 FJAB O=C1O[C@H](c2cccs2)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 2741715 KTJBZFWHULDKSY-GOSISDBHSA-N 369.829 4.918 0 40 FJAB COc1cc(OC)cc(C(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c1 3434700 KBPZMHOZVWHWGG-ZDUSSCGKSA-N 373.518 4.730 0 40 FJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@H](c3cccs3)CN12 4085129 ROAFZKVQEMKIRR-HRAATJIYSA-N 356.450 4.920 0 40 FJAB biogenic O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(F)cc1 4088727 SEFRFAYYYRUNNU-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB Sc1nnc(CCn2c3ccccc3c3ccccc32)n1Cc1ccco1 4189199 DRHHKWVUWXCWAN-UHFFFAOYSA-N 374.469 4.559 0 40 FJAB O=C1N[C@H](c2ccc(-c3ccc(F)cc3)o2)Nc2sc3c(c21)CCCC3 4523639 IGZJBXCUIYZOAJ-SFHVURJKSA-N 368.433 4.880 0 40 FJAB Cn1c(-c2ccc(F)cc2)cn2cc(-c3ccc(Br)cc3)nc12 4678350 DWRJZOOQPIVJNP-UHFFFAOYSA-N 370.225 4.908 0 40 FJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 5274715 KBESGDBXEBSDDF-APPDUMDISA-N 358.482 4.892 0 40 FJAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc(F)c(F)c1 5498116 CGYUDSGQJWOEIF-UHFFFAOYSA-N 352.340 4.617 0 40 FJAB O=C(CNc1ccc2ccccc2c1)Nc1ccc(Br)cc1F 5687611 FTGBZDYAGSGEPI-UHFFFAOYSA-N 373.225 4.792 0 40 FJAB C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 6414821 AWHTUHGCVZJGQX-QGZVFWFLSA-N 366.505 4.805 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccccc1F 6747661 BPEAYAIPCLTSHD-UHFFFAOYSA-N 353.393 4.660 0 40 FJAB COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC 6840514 CBJMSBDVNIRJJW-RMKNXTFCSA-N 361.235 4.671 0 40 FJAB CCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1 8215240 ORXXTWGCZUDUQA-UHFFFAOYSA-N 365.433 4.787 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1cc2c(cc1Cl)OCCCO2 11004057 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CCN(C(=O)CN1CCC[C@H]1c1cccs1)c1nc2ccccc2s1 15479336 BNXDWOJVBFRDDJ-HNNXBMFYSA-N 371.531 4.548 0 40 FJAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccncc4)ccc3c2C)cc1 15729338 BWXBQFPYHPEQFG-UHFFFAOYSA-N 370.408 4.928 0 40 FJAB biogenic CN(Cc1ccc2c(c1)OCO2)C(=O)c1sc2ccccc2c1Cl 18156242 OWDCOJYIQXTBPZ-UHFFFAOYSA-N 359.834 4.556 0 40 FJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 20035306 NNYJHCJYZZRPNV-FQEVSTJZSA-N 371.889 4.716 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1C 20458611 VLJDBQBZFQBHPD-QGZVFWFLSA-N 369.461 4.503 0 40 FJAB COc1ccc2nc(NC(=O)CCCOc3cc(C)ccc3C)sc2c1 28284371 XGFQIQSFXAKRDI-UHFFFAOYSA-N 370.474 4.719 0 40 FJAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1Oc1ccccc1 30608431 HKHGVBVZDYINCV-UHFFFAOYSA-N 355.397 4.917 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 30860459 AGINCTZLFUVNKI-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB CCC[C@@H]1CN(CCCc2ccc(COc3ccccc3)cc2)CCO1 34578335 AIBGFONRBUKNGN-HSZRJFAPSA-N 353.506 4.699 0 40 FJAB biogenic C[C@@H](c1ccccn1)N(C(=O)COc1ccccc1-c1ccccc1)C1CC1 40146228 FQYFEVXZLIQNNQ-SFHVURJKSA-N 372.468 4.880 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 46018684 GPOVXMHRBHLRSI-UHFFFAOYSA-N 355.397 4.585 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364433 VZJQKODQODSEFS-HXUWFJFHSA-N 372.468 4.969 0 40 FJAB O=c1[nH]c(Cc2ccc(O)cc2)nc2scc(-c3ccccc3Cl)c12 55491913 ZUQBVLRHMFTRMN-UHFFFAOYSA-N 368.845 4.601 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@@H]1c1ccc(O)cc1 58018944 IDSQUABGWOIXLT-MRXNPFEDSA-N 372.494 4.660 0 40 FJAB CCOc1ccc(-c2csc3c(O)nc(SC)nc23)cc1OCC 62591981 FVXIRNLMLOAQQH-UHFFFAOYSA-N 362.476 4.583 0 40 FJAB CC[C@@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCOCC1 64438540 CZCYLPBZFNNTJM-MRXNPFEDSA-N 363.461 4.772 0 40 FJAB O[C@@H](c1ccccc1)C1CCN(Cc2cccc(-c3ccncc3)c2)CC1 95982423 PNNNOMJFXWNFPR-DEOSSOPVSA-N 358.485 4.694 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O 100394308 TXLNPMJVWKULQQ-ACRUOGEOSA-N 361.485 4.885 0 40 FJAB 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O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 257242569 IDDPESFYPAPNBK-JOCHJYFZSA-N 358.441 4.784 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)S1 260788380 ZOFUXRDQWDZBGP-JSNMRZPZSA-N 361.470 4.931 0 40 FJAB C[C@H](NC(=O)NCC1(C)CCCCCC1)[C@H]1CCN(Cc2ccccc2)C1 1225094163 KSUGTCUQTQPGOR-FPOVZHCZSA-N 371.569 4.557 0 40 FJAB CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 691554 HKSXSAKTCOPOMS-UHFFFAOYSA-N 365.502 4.962 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 1013719 IUQIVQHXRMBTAD-UHFFFAOYSA-N 361.438 4.584 0 40 FJAB Clc1ccc(-c2nnc3sc(-c4cccs4)nn23)c(Cl)c1 2231680 JWGDKLYSYQATLS-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB COc1ccc(-c2n/c(=N\c3ccccc3)sn2-c2ccccc2)cc1 2675058 VLXHXUIVBOJLGD-QURGRASLSA-N 359.454 4.842 0 40 FJAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 2775321 UKYPWMMEXQRKFT-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@H](CCCC)[C@H](C(C)=C[C@H]1C)[C@H]2C 4023283 WJHCKHVBUITAAF-DRJBRKBZSA-N 351.531 4.936 0 40 FJAB COc1cccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1 5083685 FWFBMOPFFKKORS-UHFFFAOYSA-N 363.442 4.632 0 40 FJAB CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)O)cc2)cc1 5418830 KNEOZMGRBAHCRA-VGOFMYFVSA-N 354.402 4.573 0 40 FJAB COc1cc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC 6542226 WXRUVCHLJVDWHF-DHZHZOJOSA-N 363.413 4.518 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2SC(C)C)c1 8496909 RSRUNPPYZJMPRV-UHFFFAOYSA-N 363.866 4.879 0 40 FJAB O=C(c1ccccc1)[C@@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1 9145904 NFXUIJUMIKBOTA-IBGZPJMESA-N 373.437 4.848 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1cccc2ccccc12 10330410 FHNABUOLSBLBCZ-HXUWFJFHSA-N 352.865 4.526 0 40 FJAB COC(=O)c1ccc(-c2sc3nc(-c4ccccc4)ccc3c2N)cc1 12249690 GVHCSXMPLPFAIO-UHFFFAOYSA-N 360.438 4.999 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 12559294 NESPOHSBKSIKJS-UHFFFAOYSA-N 364.302 4.674 0 40 FJAB Cc1nc(SCc2cn3c(C)cccc3n2)c2c3c(sc2n1)CCC3 12624013 ZLTMZSXHQXDQQI-UHFFFAOYSA-N 366.515 4.737 0 40 FJAB CCN(CC)CCn1c(NCc2ccccc2Cl)nc2ccccc21 13757717 QSYIWYHJIDIBPM-UHFFFAOYSA-N 356.901 4.644 0 40 FJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C)c2C)o1 15881376 QKWFDLSYQJVMBD-UHFFFAOYSA-N 374.444 4.509 0 40 FJAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1cccs1)Cc1cccs1 20462723 MYOIPDGUFFUSBD-OKZBNKHCSA-N 360.592 4.932 0 40 FJAB biogenic,in-vitro COc1ccc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1Cl 27743896 RCLYWDDWIWFTIV-UHFFFAOYSA-N 364.735 4.534 0 40 FJAB Cc1cccc(NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)n1 27983856 IDWRNKXZAKVWBC-UHFFFAOYSA-N 350.418 4.938 0 40 FJAB CC(=O)c1csc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1 29614194 BHEJFDPWUWEHSR-UHFFFAOYSA-N 371.487 4.845 0 40 FJAB O=C1N[C@@H]2S[C@H]3[C@H]4CC[C@H](C4)[C@H]3[C@H](c3ccc(Cl)cc3)[C@H]2S1 35569167 YTFQJULJUPEYPV-SKACDARRSA-N 351.924 4.736 0 40 FJAB CCCOc1ccc(Br)cc1CNc1ccc(OC)cc1 37216137 SACHLTTWFXLQBA-UHFFFAOYSA-N 350.256 4.859 0 40 FJAB CCOc1ccc2[nH]c(=O)c(CNc3c(CC)cccc3CC)cc2c1 57577710 HXLFFZWBAJYUPB-UHFFFAOYSA-N 350.462 4.664 0 40 FJAB CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2CCC 65322196 KATYWPLTVGEJCE-UHFFFAOYSA-N 356.514 4.561 0 40 FJAB Cc1ccc([C@@H]2CCCC[C@@H]2OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 75141114 QNKUHKHARISKGP-DSKINZAPSA-N 363.457 4.690 0 40 FJAB COc1ccc(C(=O)[C@@H](C(=O)CC(=O)c2ccccc2)c2ccccc2)cc1 101034475 LBSCHRFFCKHVHX-HSZRJFAPSA-N 372.420 4.504 0 40 FJAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccccc3O)nc2c1 101338558 PAUATIYUFAKHKS-UHFFFAOYSA-N 373.412 4.530 0 40 FJAB CSc1ccccc1C(=O)N1CCS[C@H](c2ccccc2F)CC1 219104674 QPHUJFDPVLAXCS-SFHVURJKSA-N 361.507 4.868 0 40 FJAB O=C(NCC1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 223416609 OMMJCXREOXIBCY-UHFFFAOYSA-N 362.517 4.555 0 40 FJAB CC1(C)C[C@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2O1 224990984 ROYSTNRUNVNFBJ-KRWDZBQOSA-N 373.880 4.916 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 225824891 ZVYRMCCVNVYDDE-UHFFFAOYSA-N 367.445 4.575 0 40 FJAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3cccs3)CCCC2)c1 225856388 KRARCICKEHIAOL-UHFFFAOYSA-N 374.531 4.599 0 40 FJAB CCOc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(N)nc12 226309852 OYVSSIDMXQCGPB-UHFFFAOYSA-N 355.463 4.653 0 40 FJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CC[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]21C 257349001 KTDCVTGLYJBIFI-DEULOBTQSA-N 358.522 4.920 0 40 FJAB Cc1ccc(OCCSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 409121906 ZBLUVLWWVVJKIG-UHFFFAOYSA-N 353.491 4.672 0 40 FJAB CC(C)c1ccc(C2(O)CCC(N[C@@H](C)c3c(F)cncc3F)CC2)cc1 585081809 GZHGKROAVRGFEW-DBXLBAIQSA-N 374.475 4.964 0 40 FJAB O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1ccc2nc(O)oc2c1 619025565 ZTQVZRCPJYUNIM-LJQANCHMSA-N 372.424 4.637 0 40 FJAB C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 1292911448 YVRJEOZIPJEVMT-SGTLLEGYSA-N 367.399 4.660 0 40 FJAB CC[C@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)OC(C)C 952374 LKYKZGJYTQIKNA-YPMHNXCESA-N 364.536 4.638 0 40 FJAB CC(C)CCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 1293584 KXYLFDNMPZUIQS-UHFFFAOYSA-N 357.479 4.516 0 40 FJAB O=C(c1ccc(F)c(F)c1)N1CCC(c2nc3ccccc3s2)CC1 1335334 WDNHMAOHZCGZAU-UHFFFAOYSA-N 358.413 4.594 0 40 FJAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1 1934054 GJQZJWOGQCBWHE-UHFFFAOYSA-N 365.816 4.803 0 40 FJAB Cc1ccccc1-c1nnc(SCCOc2ccc(Cl)cc2)n1C 2625498 LZNAWGNMZAMHBG-UHFFFAOYSA-N 359.882 4.615 0 40 FJAB CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 2634271 BQWHHNVRLIXXLN-UHFFFAOYSA-N 357.866 4.577 0 40 FJAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(F)cc1F 2949774 IKUAHQSBKDKMBV-HNNXBMFYSA-N 370.218 4.506 0 40 FJAB O=C(CCC(=O)c1ccc(F)cc1)OCc1csc(-c2ccccc2)n1 3270335 SXRIAZDQYPFEIY-UHFFFAOYSA-N 369.417 4.656 0 40 FJAB Fc1ccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)cc1 3894507 QWHHKVMOXYNCDD-UHFFFAOYSA-N 361.342 4.956 0 40 FJAB COc1ccc(OC)c2sc(NC(=O)c3cccc4ccccc34)nc12 4325370 YQEPTLZKVGIXJO-UHFFFAOYSA-N 364.426 4.719 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc4ccccc24)N3)C1 4556143 SKXFROFUGNUYEG-IBGZPJMESA-N 363.486 4.708 0 40 FJAB Cc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 4578342 UIKRSFKDEMENLI-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)cc1 4602091 QXQWIRAOTVDXJI-QGZVFWFLSA-N 359.853 4.583 0 40 FJAB COc1ccc(NC(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1 4649861 ZTSJPTDYLCOICQ-UHFFFAOYSA-N 372.428 4.962 0 40 FJAB CC1CCN(C(=O)c2csc(Nc3cccc4ccccc34)n2)CC1 4688473 DMWYFXVKZMLPDM-UHFFFAOYSA-N 351.475 4.912 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccccc1Cl 4811487 UONXKJWOLRGUGV-BUHFOSPRSA-N 374.827 4.915 0 40 FJAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1cccc(Cl)c1 4954465 DSFSUJAOVILGHO-ZPVKFHTISA-N 361.828 4.789 0 40 FJAB COc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1 5392314 BITJHHDCRKTQHH-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(C)cc1 6808138 AIGQIFXRHDPEKB-UHFFFAOYSA-N 351.427 4.762 0 40 FJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 6958628 IHQPMRUSZDIRTR-LLVKDONJSA-N 365.296 4.505 0 40 FJAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)c1c[nH]c2ccccc12 7032587 AJXHJAZKUIHROL-SNVBAGLBSA-N 362.198 4.720 0 40 FJAB O=C(NCCSc1ccccc1)c1cc(Br)ccc1Cl 8361027 CYISNIWQGIFJKJ-UHFFFAOYSA-N 370.699 4.625 0 40 FJAB O=C(c1ccccc1)[C@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1 9145905 NFXUIJUMIKBOTA-LJQANCHMSA-N 373.437 4.848 0 40 FJAB CCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(Cl)s4)ccc1c23 10060934 BNGAABCFVHLMSI-UHFFFAOYSA-N 370.861 4.716 0 40 FJAB CCn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2ccccc2)c1=S 12924583 IRVZBQGXVKNOHQ-LJQANCHMSA-N 364.518 4.896 0 40 FJAB COc1cc(NC(=O)c2sc(-c3ccccc3F)nc2C)cc(OC)c1 13723820 ZIELGXOKHVITNS-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NC(=O)c2ccco2)c1 14565771 OXCVIOFEIUTTJA-UHFFFAOYSA-N 358.756 4.577 0 40 FJAB O[C@@H](CNCc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 16477458 MJJUSDQUAMQZRG-QFIPXVFZSA-N 367.876 4.742 0 40 FJAB Cc1ccc(CN(Cc2ccncc2)Cc2c(C)nc3sccn23)cc1 19210151 DJLWFYCBPGJGBH-UHFFFAOYSA-N 362.502 4.610 0 40 FJAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3ccc(Cl)cc3)nc21 21801433 FHBGBUYSQCGLOA-UHFFFAOYSA-N 353.857 4.816 0 40 FJAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2c(C)cccc2C)CC1=O 22364512 MJROUYDFQRXMBQ-CRAIPNDOSA-N 364.489 4.809 0 40 FJAB Cc1cc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)s1 24071004 IJJMFINBRWKRNW-UHFFFAOYSA-N 364.517 4.598 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Br)c1 30756200 WXCZLTALJYUBAL-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1Br 32611695 KQCFBWKZZXRETQ-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB CCc1ccccc1NC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1 35291861 OTUSTCKANUNHHL-UHFFFAOYSA-N 362.477 4.845 0 40 FJAB Cc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(C3CC3)nc21 36617245 OZRDYCNSOQXFSU-UHFFFAOYSA-N 359.401 4.567 0 40 FJAB Cc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)c(C)n1-c1nccs1 36837719 RHGYZZLHKGTWDV-IBGZPJMESA-N 365.502 4.700 0 40 FJAB CCOC(=O)c1cc(/C=C/c2ccc(OCC)cc2)nc(-c2ccccc2)n1 40146046 RAOXMEQCPDWRMS-JLHYYAGUSA-N 374.440 4.889 0 40 FJAB Brc1cc(Cc2ccccc2)ccc1OCCC1CCNCC1 42770220 ZPCLDYGYBPDRLP-UHFFFAOYSA-N 374.322 4.808 0 40 FJAB Cc1cc(Br)ccc1NCc1ccc(O)c(Br)c1 58615286 YYYNMGNJLKWXOD-UHFFFAOYSA-N 371.072 4.838 0 40 FJAB CN(Cc1ccccn1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 58979297 XXYNDYGBODLYCZ-UHFFFAOYSA-N 362.395 4.571 0 40 FJAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1 71195074 VKVFLRWXEHWFSG-QFIPXVFZSA-N 372.468 4.646 0 40 FJAB Clc1cccc(-c2cncc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72359399 KKHADVPISYHYTB-SFHVURJKSA-N 364.880 4.572 0 40 FJAB Cc1sc(CCNc2nccc(C(F)(F)F)n2)nc1-c1ccccc1 75109741 CJRWQIVMKDRHDY-UHFFFAOYSA-N 364.396 4.582 0 40 FJAB Cc1ccc2nc(C)c(C(=O)Nc3c(C)cnn3-c3ccccc3)cc2c1 84563060 FFJNMFBSKICLCG-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB Cc1cc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)c(C)o1 85471501 FLPGPDMLKLJFCI-UHFFFAOYSA-N 369.490 4.867 0 40 FJAB Cc1[nH]c2ccccc2c1C1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 89534420 YEHKPUWQPBRFFY-OAQYLSRUSA-N 370.443 4.668 0 40 FJAB Cc1nc(-c2ccco2)sc1CNC(=O)c1ccccc1C(F)(F)F 90593371 GONQXMVCZQYHEM-UHFFFAOYSA-N 366.364 4.660 0 40 FJAB Clc1ccc(CSC2=C(/C=C/c3ccn[nH]3)N3C=CS[C@@H]3N2)cc1 96190132 RXLLQBQAELOFTI-FUTAKVPZSA-N 374.922 4.586 0 40 FJAB CC(C)(C)N(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl 97165010 SKTXLDPSQDEQHW-UHFFFAOYSA-N 351.277 4.758 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219068982 GQZIKNGMTZOZER-LJQANCHMSA-N 369.505 4.607 0 40 FJAB CCn1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc21 222586123 RLIJBQICBSXDDA-VHKYSDTDSA-N 362.502 4.646 0 40 FJAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222622920 BMOCAGXSICQZPB-NDXORKPFSA-N 374.513 4.770 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 222816869 WVGXNVMDXYYQAB-MSOLQXFVSA-N 359.441 4.568 0 40 FJAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1Cl 223383359 OQHGQFJFWQWULP-MRXNPFEDSA-N 359.853 4.689 0 40 FJAB CCc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225686022 XHCLLRDGSUHOIH-GOSISDBHSA-N 370.518 4.846 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225807214 WEXAPMVMBODYDP-KRWDZBQOSA-N 365.517 4.774 0 40 FJAB COc1ccc(Cc2ccc([C@H]3CCCCN3Cc3ccncc3)cn2)cc1 257264889 LWKBGBIOLKYXEO-XMMPIXPASA-N 373.500 4.803 0 40 FJAB COc1cccc(/C=C/[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 408734879 GPTFKHWZQPIGEV-BQYQJAHWSA-N 354.189 4.828 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2cc(OCC)c(OC)cc2C)C1=O 409211766 MYHALZKWBHANFL-ATVHPVEESA-N 363.479 4.629 0 40 FJAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 585260825 MWRWDDUGOYJGON-OAQYLSRUSA-N 373.460 4.567 0 40 FJAB CC(C)SCc1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 1776111041 PNTAPSBOKUCXEC-VOTSOKGWSA-N 350.900 4.651 0 40 FJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 687474 ALPYUGGCVJMUSB-UHFFFAOYSA-N 367.474 4.647 0 40 FJAB COc1ccc2oc(=O)c(C(=O)Nc3ccccc3-c3ccccc3)cc2c1 807567 DBVGPSKONNWBCA-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CC(C)(C)C1=O 1390522 RTJSUMYKYSQTEV-UHFFFAOYSA-N 354.397 4.506 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)c2C(=O)O)cc1 2278397 XYLJKGRZOODBOC-UHFFFAOYSA-N 367.426 4.683 0 40 FJAB CCC(CC)c1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 2629127 BRQMYGPRVMNVKF-JTQLQIEISA-N 353.875 4.501 0 40 FJAB CC(C)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 2721825 QOCCDOAXHYCVER-UHFFFAOYSA-N 363.460 4.516 0 40 FJAB CCn1c(CSc2nc3ccccc3s2)nc2cc(C(=O)O)ccc21 3262794 PWQUCFOFXXDALE-UHFFFAOYSA-N 369.471 4.656 0 40 FJAB C[C@]12CCC[C@H]1[C@@H]1CC[C@H](CCC(=O)O)[C@@](C)(CCC(=O)O)[C@@H]1CC2 3843609 UJKJBNDDMOKPEE-LPCQMJKOSA-N 350.499 4.965 0 40 FJAB COc1cccc(C(=O)Nc2nnc(-c3c(C)c(C)cc(C)c3C)s2)c1 4070375 LAYZCWVGLYNMSS-UHFFFAOYSA-N 367.474 4.700 0 40 FJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@H](c3cccs3)CN12 4085127 ROAFZKVQEMKIRR-KKSFZXQISA-N 356.450 4.920 0 40 FJAB biogenic Oc1ccccc1-c1nc(/C=C/c2ccccc2F)nn1-c1ccccc1 4317337 SHUBZPZJNCKFAI-CCEZHUSRSA-N 357.388 4.949 0 40 FJAB COc1c(Br)c(Br)c(C)c2c1[C@]1(C)C=C[C@@]2(C)O1 4530542 QEXOPMVYGHTVNZ-KGLIPLIRSA-N 374.072 4.559 0 40 FJAB CC(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 4739562 SLEFEISWCQUHHW-UHFFFAOYSA-N 365.458 4.657 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1C 5394426 MJSXASRYYOUONL-JOCHJYFZSA-N 372.424 4.803 0 40 FJAB CCOc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 6223497 SSCSDZIUCRYLRS-UHFFFAOYSA-N 366.364 4.966 0 40 FJAB Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2C)CC1 7609840 BHZUXADNFFXHHZ-UHFFFAOYSA-N 350.462 4.687 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCCCO3)s1 8156568 KFLKVUNEQQGWMJ-UHFFFAOYSA-N 366.442 4.532 0 40 FJAB Cc1cccc(NC(=O)CN(C)Cc2csc(-c3cccs3)n2)c1C 9387748 MFJJTURIXXPKJI-UHFFFAOYSA-N 371.531 4.559 0 40 FJAB Cc1cc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)on1 9546886 JCLPOGZLSIKJSX-UHFFFAOYSA-N 368.487 4.508 0 40 FJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1nc2ccccc2[nH]1 12648528 UVNFCAPXXDOQTF-UHFFFAOYSA-N 352.246 4.601 0 40 FJAB CCOc1ccccc1NC(=O)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 13154135 DZBNRLJJOLPANB-IGQOVBAYSA-N 368.304 4.880 0 40 FJAB CCOc1ccc(-c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 13683099 ALWUDACSGSWMTE-UHFFFAOYSA-N 354.456 4.779 0 40 FJAB C[C@H](CN(C)Cc1c(C2CCOCC2)[nH]c2ncccc12)c1ccccc1 19455971 TTWYRXKUCDNSBF-QGZVFWFLSA-N 363.505 4.692 0 40 FJAB Cc1ccc(CSCCNC(=O)CSCc2ccccc2C)cc1 20237682 BLODVAXLIRGTEE-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccccc2Cl)cc1 20483419 ALHGFAZWUKPMAH-SFHVURJKSA-N 361.869 4.631 0 40 FJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Oc1ccccc1 24260649 FHZSJAPCMUOCAU-UHFFFAOYSA-N 363.360 4.977 0 40 FJAB COCC(=O)Nc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 31139003 NBTSIKDTEJGCQL-UHFFFAOYSA-N 366.461 4.572 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 32800951 QXPFOWXAGWJJAE-UHFFFAOYSA-N 364.445 4.660 0 40 FJAB O=C(NC1CCCCC1)c1sc(N2CCCCC2)nc1-c1ccccc1 36293515 DOPMZMSLKODGKY-UHFFFAOYSA-N 369.534 4.863 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ncc2ccccn12 36666369 VBFGVRUOCFBNHL-HNNXBMFYSA-N 353.491 4.885 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)Cc1c(Cl)ccc2cccnc12 51500116 BFKNOLDZVMKFOM-UHFFFAOYSA-N 367.880 4.576 0 40 FJAB Cc1nc(C)c([C@H](C)NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)s1 58407572 MJJALJQTFXYZOQ-AWEZNQCLSA-N 356.535 4.966 0 40 FJAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@@H]3CC(C)C)cc1 61717552 UULGMJHCJVKFLQ-LBPRGKRZSA-N 359.447 4.594 0 40 FJAB CCOC(=O)c1ccc2nc(-c3cccc(Br)c3)sc2c1 73740411 JYLZTBUPJVACMI-UHFFFAOYSA-N 362.248 4.903 0 40 FJAB Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165936 OZOFENMPNWJVIX-MSOLQXFVSA-N 367.449 4.676 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 89980285 WWIFWTRBMBFYFS-AVRDEDQJSA-N 363.461 4.578 0 40 FJAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccc(C)s2)CC3)c1 96049437 PBYYBBJCCCZLQC-UHFFFAOYSA-N 368.546 4.522 0 40 FJAB COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1 102729371 XELDWXSPDJRVPK-KRWDZBQOSA-N 366.417 4.620 0 40 FJAB CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(C(C)(C)C)cc3)C2=C(O)C1 102859359 OJPAWJNWCUDFGW-GOSISDBHSA-N 350.466 4.883 0 40 FJAB CC(C)Oc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 218984495 HGXWVXQZOAPNEB-UHFFFAOYSA-N 355.478 4.624 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 219310136 DOBNLNLIGBLOOA-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB COC(=O)c1cn(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)c2ccccc12 222569721 YGIUUUCNPRJMHC-GFCCVEGCSA-N 373.861 4.902 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620649 TVESCJBMIWFTMF-HXUWFJFHSA-N 365.429 4.543 0 40 FJAB O=C(CSCc1ccccc1F)NC(c1ccccc1)c1ccccc1 222704491 WMGWEXGBIOCKNN-UHFFFAOYSA-N 365.473 4.965 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(Br)cc2)cc1 222871929 YNTMWFRGQQIDKG-KRWDZBQOSA-N 362.267 4.808 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1cccc(Cl)c1 224491652 STBIVHDHZHGLLB-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB CCOCc1cc(C(=O)Nc2c(CC)cccc2CC)ccc1OCC 224700383 XEUGBQJZOIKYAQ-UHFFFAOYSA-N 355.478 4.999 0 40 FJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 225133087 CCQBOKZRSGKWOL-UHFFFAOYSA-N 369.817 4.636 0 40 FJAB O=C(Nc1ccc(-c2ccn[nH]2)cc1)c1ccc(Oc2nccs2)cc1 225637216 WQCGFJDSQVFVMD-UHFFFAOYSA-N 362.414 4.578 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(C(F)(F)F)c2)C1 228912050 CFQVXCHECAIJDQ-CYBMUJFWSA-N 358.404 4.764 0 40 FJAB C[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 245240226 NUCMWTKQBVNDFA-OULKTBKASA-N 365.517 4.508 0 40 FJAB CC[C@H](NC(=O)N1CCS[C@@H](c2ccccc2)C1)c1ccc(C)cc1 605215073 NFTPHBWEHPHJQW-VQTJNVASSA-N 354.519 4.946 0 40 FJAB Cc1c(C(=O)N[C@H](C)c2cccc(F)c2F)ccn1Cc1ccccc1 1266391469 LRXUGKJBOJJVOZ-CQSZACIVSA-N 354.400 4.614 0 40 FJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@H](C2CCC2)CC1 1288166130 UEGXKLQKPVUBLI-GOSISDBHSA-N 350.462 4.916 0 40 FJAB Cc1ccccc1C[C@@H](C)NC(=O)CN[C@@H](CC(C)C)c1ccccc1C 1616786129 DUMIONSQIMGCQK-OFNKIYASSA-N 366.549 4.728 0 40 FJAB O=C(/C=C\c1ccc(/C=C/C(=O)Nc2ccccc2)cc1)Nc1ccccc1 3844736 KHRMJDYXCLYDOY-JRDMOELTSA-N 368.436 4.990 0 40 FJAB COc1cccc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)c1OC 4479394 CUAKVGITLBTIHR-UHFFFAOYSA-N 356.447 4.689 0 40 FJAB CCN(CC)CCN(C(=O)C1CCCCC1)c1nc2ccccc2s1 4585312 XKYPXMQSIBMGPS-UHFFFAOYSA-N 359.539 4.551 0 40 FJAB O=C(/C=C/c1ccco1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 4705259 NNVCUNROHDYMMI-SOFGYWHQSA-N 365.776 4.788 0 40 FJAB CCCCCOc1ccc(Cn2c(=O)sc3ccccc32)cc1OC 5014134 DOGONSLKZFAZTP-UHFFFAOYSA-N 357.475 4.689 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1Cl 5343440 ALYZFBYKANRLNW-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CCCCC2)o1 6374114 KEHPHOGJYHVXCA-UHFFFAOYSA-N 355.463 4.882 0 40 FJAB c1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2C2CC2)cc1 7229901 GQPWNAOMFCGWEP-UHFFFAOYSA-N 364.430 4.685 0 40 FJAB O=C(O)c1ccc(OCc2cccc3ccccc23)c(Br)c1 7604036 MLCZQARUSVFRGT-UHFFFAOYSA-N 357.203 4.880 0 40 FJAB Cc1ccc(NC(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 8778881 ORTNFDISFIEEEI-ZDUSSCGKSA-N 358.392 4.665 0 40 FJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2F)o1 10429953 YVNATDUBDKPVMF-UHFFFAOYSA-N 350.393 4.938 0 40 FJAB CC(C)C[C@@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2[nH]1 10961668 CFYPLRKKQMMZAI-HXUWFJFHSA-N 374.488 4.811 0 40 FJAB CSc1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 11965645 SVKFXOYXFFQDLU-UHFFFAOYSA-N 369.515 4.871 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3Cl)c12 12766862 ALYKYIRJEWPDMD-UHFFFAOYSA-N 353.765 4.697 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1sc(-c2cccs2)nc1C 13000805 AOLXMKQCGVYXSL-NSHDSACASA-N 358.488 4.680 0 40 FJAB CC(C)(C)C(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl 13030961 MMFADXWHNGNMKK-UHFFFAOYSA-N 373.859 4.539 0 40 FJAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cccc2ccccc12 16702044 XPZIFQLRFJJISE-UHFFFAOYSA-N 351.274 4.717 0 40 FJAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(SC(F)F)cc1 19169648 VGQHUMWUGBZQNU-UHFFFAOYSA-N 361.772 4.811 0 40 FJAB Fc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 19927811 VMFZBOFYICMHOS-UHFFFAOYSA-N 364.243 4.666 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSc1ccc(Cl)cc1 19934206 WXQQONAZZRUIEA-GOSISDBHSA-N 363.910 4.714 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 20455670 YTULTKZCVCJVOO-KRWDZBQOSA-N 369.461 4.666 0 40 FJAB O=C(Nc1nncs1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 21215254 QGMODYFKLNEPAS-UHFFFAOYSA-N 365.336 4.602 0 40 FJAB CCOc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 24977461 MRMXSTXDVAANFH-LJQANCHMSA-N 369.511 4.996 0 40 FJAB O=C1CSc2ccccc2N1C(=S)Nc1ccccc1C(F)(F)F 28527144 AAJUHCBULHAGFQ-UHFFFAOYSA-N 368.405 4.541 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(OC(C)C)cc1 30870142 KXPLPJVJEOYFQJ-OAQYLSRUSA-N 369.505 4.689 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCCC2)cc1 31915058 LMUUXUMLOAODKM-HNNXBMFYSA-N 358.869 4.736 0 40 FJAB CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2cc(Cl)ccc21 32607752 GLWBCCHKWFHEBR-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB CC[C@H](C)C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 32647749 SWBRSMBJVPUEJF-JTQLQIEISA-N 370.280 4.828 0 40 FJAB COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 32935966 IPTLTCHDVWVPOT-HXUWFJFHSA-N 356.441 4.565 0 40 FJAB CSc1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 33395112 OKSQNBXSOPCNPW-WJDWOHSUSA-N 356.472 4.514 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(Cl)cc2)cc1 36366182 UPIHEHLPKBPZMJ-MRXNPFEDSA-N 353.809 4.658 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCCc2c(F)cc(F)cc21 41866562 SCFJVECOGPMVDU-UHFFFAOYSA-N 374.412 4.512 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(OC)c1 42124283 IFDDGIVJWYHJBZ-HNNXBMFYSA-N 357.450 4.542 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2ccc(C)c(C)c2)c2ccccc2)cc1 44840003 LUAIGKPIVUEBFG-XMMPIXPASA-N 359.469 4.896 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2C(C)C)cc1 55543678 OOLQMDKWGMGJTL-UHFFFAOYSA-N 366.490 4.678 0 40 FJAB C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cccc(F)c1 57607698 KPNOVXWPTNXBKH-BFUOFWGJSA-N 372.440 4.733 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccc(F)cc4)C3)o2)s1 72390094 JVUZSILBIQMLPX-HNNXBMFYSA-N 357.454 4.625 0 40 FJAB CN(c1ccccc1NCc1nc(Cc2ccccc2)no1)C1CCCC1 83869759 VEXGOWFKJLIIAU-UHFFFAOYSA-N 362.477 4.651 0 40 FJAB Cn1cccc1-c1csc(NC(=O)c2ccc(OC3CCCC3)cc2)n1 89756761 CRYSOEMXJJDFNO-UHFFFAOYSA-N 367.474 4.722 0 40 FJAB C[S@](=O)c1ccc(CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 91377280 OPZPPYUQQSQXAT-WZONZLPQSA-N 368.329 4.972 0 40 FJAB CC(C)n1ncc2cc(CNc3cc(CCc4ccccc4)ccn3)cnc21 95997643 FXOCXQFIZJWFLB-UHFFFAOYSA-N 371.488 4.805 0 40 FJAB CCn1ncc(Cl)c1CN(C)C(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 102149755 XVCZIGAFNAANBD-YVVLLZSASA-N 363.933 4.511 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(OCc3ccccc3)cc2)CCC1 102665716 QISUAEUFJBTNFT-OAQYLSRUSA-N 372.428 4.529 0 40 FJAB Cc1ccc([C@H]2CCCCCN2C(=O)NCc2nc(C3CC3)cs2)o1 123437380 GHTYZHCLSJEIIH-MRXNPFEDSA-N 359.495 4.749 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219608348 KOMZYUIAUVMAJK-ROUUACIJSA-N 373.880 4.916 0 40 FJAB COC(=O)c1cn(C(=O)CCc2cccc3ccccc23)c2ccccc12 222641406 ZXQUGOYSTZQCML-UHFFFAOYSA-N 357.409 4.854 0 40 FJAB O=C(CCc1cccc2ccccc12)NCCSCc1ccccc1F 222672556 NMKQWRWRTMOUIM-UHFFFAOYSA-N 367.489 4.961 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222958767 GOSPDIXFCPGEHU-VQTJNVASSA-N 368.550 4.771 0 40 FJAB C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 222999381 JBWPGTMFDAAWSW-QGZVFWFLSA-N 363.501 4.700 0 40 FJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223105850 SIDIDQSVGVDDNE-UXHICEINSA-N 368.550 4.769 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(OC)c(C)c1 223201242 MYDHFJZDOJJTPP-VQTJNVASSA-N 355.478 4.737 0 40 FJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223854999 HDNLLCSOJIMCEM-DLBZAZTESA-N 351.490 4.773 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)c(C)c1 224200615 YFHWCFFVPBWPGH-GOSISDBHSA-N 361.482 4.643 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1C 224455807 UPBXKNSYSNOVBW-HXUWFJFHSA-N 363.457 4.501 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1 224919905 ZIDZJDNRXBRLBL-QGZVFWFLSA-N 360.457 4.846 0 40 FJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@@H]1c1cccnc1 225414730 HKKVGJPZFOMMDU-GOSISDBHSA-N 363.486 4.881 0 40 FJAB biogenic CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccccc1OC 225472407 DLWFUIOFBPYSFR-IERDGZPVSA-N 363.457 4.883 0 40 FJAB S=C(NCCCOC1CCCC1)Nc1ccc(OC2CCCC2)cc1 225620625 GYCFGIQXBDGOQL-UHFFFAOYSA-N 362.539 4.644 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 408586232 MROWKMMGNAAUCR-UHFFFAOYSA-N 367.898 4.882 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccc(C)cc1 408678112 FSCJICOFUUIDDQ-GOSISDBHSA-N 363.910 4.714 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 408678963 LJGIFROCBQAUFN-SFHVURJKSA-N 363.910 4.547 0 40 FJAB CC(C)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408750933 UGHJDLZYPFGLCO-OKILXGFUSA-N 374.531 4.724 0 40 FJAB CC[C@H](CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2)C(C)(C)C 1124607655 AVTVJRZHICEVGI-GFCCVEGCSA-N 350.528 4.517 0 40 FJAB CN(C(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 2133813 WTKMAAWFSRINHR-UHFFFAOYSA-N 360.891 4.706 0 40 FJAB Cc1cc(C)n(-c2nc(NCCC(C)C)c3c4c(sc3n2)CCCC4)n1 2416025 YQMHOKSDFCJBTL-UHFFFAOYSA-N 369.538 4.831 0 40 FJAB CN(c1ccccc1)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2943729 YTGZJZXULJWRAU-LTGZKZEYSA-N 354.409 4.799 0 40 FJAB Cc1ccc([C@H]2N(c3ccc(OCc4ccccc4)cc3)C(=O)C2(F)F)o1 3256393 AJQVJXGROLNAEG-LJQANCHMSA-N 369.367 4.890 0 40 FJAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1 3270054 BJSBYIARCMDGLN-UHFFFAOYSA-N 357.862 4.732 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cncc(Br)c1 3554067 XDRAFQWKZBLNRD-UHFFFAOYSA-N 369.218 4.889 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1snnc1-c1ccccc1 4050396 SBANPCQIPOMRKL-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB COc1ccccc1CN(C(=O)c1cc2sccc2n1C)C1CCCC1 4971237 BWMZGWCIOFQHJP-UHFFFAOYSA-N 368.502 4.833 0 40 FJAB Cc1nc(SCC(=O)c2cc(C)n(C3CC3)c2C)n(CC(C)C)c1C 5178206 QZBDEGGKIUWSJE-UHFFFAOYSA-N 359.539 4.884 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(N)c1 5938095 SAQCWCISHOSSPB-MRVPVSSYSA-N 359.640 4.635 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1 6305696 CMTNOFZHUFMRTG-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB CCOc1ccccc1N(CC(=O)c1ccc(C)cc1)C1=NCCCS1 6870608 FHZRGTCRECJFDH-UHFFFAOYSA-N 368.502 4.576 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 7929405 NQPKSOULQMJVDP-CABCVRRESA-N 371.864 4.812 0 40 FJAB Cc1c(Cl)cccc1NCC(=O)Nc1ccc(Br)cc1F 7972237 JDIHXSXWZNRASZ-UHFFFAOYSA-N 371.637 4.601 0 40 FJAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)Nc2ccc(Br)cc21 9434642 NZGUDNRDXBPQLJ-XIKOKIGWSA-N 359.267 4.747 0 40 FJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 10412257 GGOYVZQFNCGCBF-UHFFFAOYSA-N 371.742 4.659 0 40 FJAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl 12759949 OVFZPLNLYLGCGN-OAHLLOKOSA-N 370.905 4.559 0 40 FJAB CCOc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(C)cc3)no2)cc1 12913036 ZFTHCMLUWHOQIM-HXUWFJFHSA-N 363.461 4.781 0 40 FJAB COc1ccc(NC(=O)[C@H](C)SCc2cccc(C(F)(F)F)c2)cc1 13017918 UBINSRVHSVOIJK-LBPRGKRZSA-N 369.408 4.974 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccc(C)c4)nc32)cc1 15842243 SMSZOPDHCPFMKK-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)CC2CCCC2)c1 17154617 OSHQVSLMUWSXQS-UHFFFAOYSA-N 366.461 4.856 0 40 FJAB CC(C)c1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 20034585 URTFLWZALNPCBJ-UHFFFAOYSA-N 358.467 4.833 0 40 FJAB C[C@@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccc(Cl)c1 24107412 FBIWFLGQTBGODW-GFCCVEGCSA-N 360.244 4.712 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 32800826 CFLGZKLZCPSPFH-GOSISDBHSA-N 370.543 4.818 0 40 FJAB O=C(Nc1ccc(F)c(F)c1)c1cc(C2CC2)nc2onc(C3CC3)c12 36617343 ICSOGEJEVJVPIZ-UHFFFAOYSA-N 355.344 4.508 0 40 FJAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3sc(C)nc3C)o2)c1 40051696 PXQMDCSXKKCHIY-GFCCVEGCSA-N 373.503 4.790 0 40 FJAB O=C(CCCc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccn1 40141280 KZSLNGKFNKIRGA-QFIPXVFZSA-N 364.876 4.964 0 40 FJAB Clc1ccc([C@H]2CN(Cc3coc(-c4cccs4)n3)CCO2)cc1 40153704 LJJKDVGYAPUCCR-MRXNPFEDSA-N 360.866 4.630 0 40 FJAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc(OC)cc3)co2)cc1 42738862 RJVLYVSSMUCXOQ-OAQYLSRUSA-N 364.445 4.696 0 40 FJAB O=C(NCc1nc2ccccc2s1)c1cc(-c2cccc(Cl)c2)on1 46624193 FWVQMNBINZYOSW-UHFFFAOYSA-N 369.833 4.535 0 40 FJAB CCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21 64963695 XCWXEIWTWNZYBX-UHFFFAOYSA-N 359.429 4.745 0 40 FJAB CCc1nccn1-c1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)n1 72379111 GTESYNOVIUNUHX-OAQYLSRUSA-N 374.532 4.642 0 40 FJAB CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 100425725 AZZGXBSBHMXPPG-MAKNYPIPSA-N 358.570 4.505 0 40 FJAB Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 101100764 HBGHKJRCVCYPPX-HNNXBMFYSA-N 359.223 4.960 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(Cl)cc2Cl)CCC1 102752751 FGUPWYAQMVRVDV-ZDUSSCGKSA-N 351.193 4.612 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 219531004 DPXPGVHYBBUIQQ-NQIIRXRSSA-N 369.505 4.983 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 222966668 FNFHALFUHYVQRC-IBGZPJMESA-N 369.461 4.585 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c(C)c1 222966805 SVMRQFXTJAOYLN-IBGZPJMESA-N 369.461 4.585 0 40 FJAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Cl 223230769 LUCDQUVADUGGQW-INIZCTEOSA-N 359.853 4.771 0 40 FJAB Cc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1 223430754 SHVDRBUFEYHCGM-LTGZKZEYSA-N 361.441 4.632 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(C)cc1 224058935 CKORGAALDVLGCX-QFIPXVFZSA-N 351.490 4.690 0 40 FJAB S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccncc1 225366591 XJDGAZIPWHOKLW-UHFFFAOYSA-N 372.346 4.608 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccccc2C)c1 225758270 XEXKMRARNSNUHR-GOSISDBHSA-N 356.491 4.609 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccccc2)cc1 408697802 JRQKOTMQOIHKBM-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CCc1ccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)cc1 409113619 HYRRSJVVHUEVTO-UHFFFAOYSA-N 367.470 4.629 0 40 FJAB O=C(COC/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 512939522 KBMUNTZSRXIYIQ-VGTZJQLLSA-N 361.485 4.654 0 40 FJAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 904112 YDNCRCXJOQLPTE-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)n1 1102677 DQEUOSFNYYQARJ-UHFFFAOYSA-N 352.821 4.875 0 40 FJAB O=C(CSCc1ccccc1)NC1c2ccccc2Oc2ccccc21 1593450 NCYXDZCQCSAFCO-UHFFFAOYSA-N 361.466 4.931 0 40 FJAB Cc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 2618294 GZNYFDIQVXKJSR-UHFFFAOYSA-N 351.431 4.697 0 40 FJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2)o1 2619286 PRSMCWTUKGOGTJ-UHFFFAOYSA-N 354.431 4.630 0 40 FJAB O=C(Nc1nc2c(s1)CCCC2)C1c2ccccc2Oc2ccccc21 2653113 AGROJPYXVWCMQB-UHFFFAOYSA-N 362.454 4.898 0 40 FJAB O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccccc1Cl 2792541 NSZWYGPFVOUQIF-UHFFFAOYSA-N 354.765 4.803 0 40 FJAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 2949967 XNSPSDYFRLKQCB-OAHLLOKOSA-N 368.683 4.881 0 40 FJAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)cc3Cl)cc2s1 4785244 PMKXWXDDSZWHGT-UHFFFAOYSA-N 373.865 4.859 0 40 FJAB COC(=O)c1ccc(Cl)cc1NC(=O)c1csc2c1CC[C@@H](C)C2 5235409 KVMXMPBDIRHANQ-SNVBAGLBSA-N 363.866 4.565 0 40 FJAB c1ccc(C2=NO[C@]3(c4ccccc4)S[C@H]4CCCC[C@@H]4CN23)cc1 5837314 HIYZCGIQTOFBHX-SLYNCCJLSA-N 350.487 4.797 0 40 FJAB CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)Nc1ccccc1 6137844 YCSNAMMWMZRHKQ-ROUUACIJSA-N 365.477 4.595 0 40 FJAB biogenic,in-vitro CCCN(Cc1ccccc1)C(=S)Oc1ccc2nc(C)c(C)nc2c1 6274106 WZUTVWULLYHBIH-UHFFFAOYSA-N 365.502 4.823 0 40 FJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 6962309 GYKROQWGSBMGEA-IRLDBZIGSA-N 362.517 4.741 0 40 FJAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1(c2ccccc2)CC1 7688561 LTJYUQVGHBXXFT-UHFFFAOYSA-N 356.397 4.759 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2sc(C)nc2C)c1 7737743 OVOAFNHEWJZOEO-UHFFFAOYSA-N 365.458 4.573 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 8904036 YMWGXQDVFMVBGL-UHFFFAOYSA-N 367.445 4.827 0 40 FJAB COc1cc(NC(=O)CNc2cccc3ccccc23)c(OC)cc1Cl 11549289 OSBOOVCTNWXWTP-UHFFFAOYSA-N 370.836 4.561 0 40 FJAB Cc1ccc(NC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 12681607 JWUOOHWLYVQISQ-UHFFFAOYSA-N 361.449 4.624 0 40 FJAB C[C@H](OC(=O)COc1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1 12907632 TXJCYEVSDSNXNL-AWEZNQCLSA-N 368.816 4.687 0 40 FJAB O=C(c1ccccc1)C1CCN(Cn2c(=S)sc3ccccc32)CC1 14310876 ZIJAYLGZHADIRW-UHFFFAOYSA-N 368.527 4.985 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 14796178 JVSPFDKSAQDJFQ-LLVKDONJSA-N 365.260 4.774 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(F)cc1Cl 24952156 MGFOHSUOJMZEDZ-GFCCVEGCSA-N 367.873 4.598 0 40 FJAB Clc1cc(Cl)c2nnc(Sc3nc4ccccc4s3)n2c1 25372232 KABHKHHHAVVIQM-UHFFFAOYSA-N 353.259 4.797 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccncc1 25590127 YIQZBSRZZAXLHP-QHCPKHFHSA-N 356.469 4.967 0 40 FJAB Cc1cc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2[nH]1 31721919 ZOTIJYAQPWIHRK-UHFFFAOYSA-N 355.246 4.584 0 40 FJAB Cc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccccc4)nn32)cc1C 32073440 VUGUHWJKFYXFFQ-SFHVURJKSA-N 374.444 4.647 0 40 FJAB CCOc1cccc2cc([C@H](C)NC(=O)N[C@H](C)c3ccccc3)oc12 32802168 KKADTLYWVILLIP-CABCVRRESA-N 352.434 4.953 0 40 FJAB CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39743731 OGZFJMLEUCGNSE-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)n(Cc2ccccc2)n1 40052609 MBEUNOQPKWFAGD-UHFFFAOYSA-N 369.415 4.759 0 40 FJAB O=C(NCc1ccoc1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 47838963 AUECCFSCNUMZSN-UHFFFAOYSA-N 369.808 4.507 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 72229842 ILOKIPODSZOXSV-FQEVSTJZSA-N 351.833 4.982 0 40 FJAB Fc1cccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)c1 72348858 GTWGVVRUJRWEBE-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1Cl 84183069 KMIVEDSAKSESLX-KBPBESRZSA-N 368.786 4.914 0 40 FJAB CC(C)=CCOc1cccc(C(=O)Nc2ccccc2[C@@H](O)C(C)C)c1 95451296 BHYJPNSQPBSXOK-NRFANRHFSA-N 353.462 4.973 0 40 FJAB Cc1ccc(Cn2nc(C)c(/C=C3/C(=O)Nc4ccccc43)c2Cl)cc1 96766861 GREVSBVHUPKPSW-WOJGMQOQSA-N 363.848 4.694 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224320188 OTOPVYLJBRZSHF-UXHICEINSA-N 362.502 4.512 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 224355688 ZYFXSKXVOMVJQQ-WOJBJXKFSA-N 363.486 4.975 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224977855 ZGFKXMGJHQKLIZ-QHCPKHFHSA-N 364.533 4.667 0 40 FJAB CC(C)c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 225742215 UJJGKFKUGHQAJM-UHFFFAOYSA-N 367.562 4.545 0 40 FJAB Cc1ccc2oc(=O)c(C(=O)NC(c3ccccc3)c3ccccc3)cc2c1 226037718 VFVPXSAYESACAN-UHFFFAOYSA-N 369.420 4.621 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1C[C@H](C)C[C@@H](C)C1 226330182 QOMYHLOYEMUXJR-ZIAGYGMSSA-N 371.912 4.965 0 40 FJAB O=C(CCc1ccc(F)c(Cl)c1)NCc1ccnc(-c2cccs2)c1 238939192 VVGFCKZKRRAGGJ-UHFFFAOYSA-N 374.868 4.852 0 40 FJAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N[C@H](C)c1ccccc1 253398703 HIMNMSPEQUFFGN-OLZOCXBDSA-N 370.836 4.539 0 40 FJAB biogenic,in-vitro CCCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409234049 YFVIQXQYRCMDJM-SFQUDFHCSA-N 372.877 4.794 0 40 FJAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 618256477 RXKGEKUCBKLGAB-AWEZNQCLSA-N 358.488 4.640 0 40 FJAB O[C@@H](C[C@H]1CCCCCN1Cc1cnc2ccccc2n1)c1cccs1 851803377 SCSWXJAMNVUTJD-XLIONFOSSA-N 367.518 4.560 0 40 FJAB COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 632956 APQGSPGWUYMVLK-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB Cc1sc2ncn3c(SCc4ccc(Cl)cc4)nnc3c2c1C 925335 QZIREKJIVXLWSX-UHFFFAOYSA-N 360.895 4.902 0 40 FJAB CC(C)OC(=O)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 1291046 ROKFLBFHLVKPFM-UHFFFAOYSA-N 367.474 4.879 0 40 FJAB CCOC(=O)c1cc2c(ccn2C)n1Cc1c(Cl)cccc1Cl 1337955 LKWJHTZXCAQUPL-UHFFFAOYSA-N 351.233 4.512 0 40 FJAB Cc1c(Cl)cccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 1441108 LEWACGYAMZBONJ-UHFFFAOYSA-N 367.758 4.656 0 40 FJAB COc1ccccc1-n1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2251074 DHVVPDWDPIFEMO-UHFFFAOYSA-N 370.387 4.783 0 40 FJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3c2C1 2651083 BUUWWGUPPHIBHG-OAHLLOKOSA-N 371.484 4.747 0 40 FJAB CCOC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 5106999 UVIAZJJJTUUIFN-UHFFFAOYSA-N 360.316 4.532 0 40 FJAB CC(=O)Nc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 5560663 QLFQRXZJRKFGFF-OAQYLSRUSA-N 354.413 4.634 0 40 FJAB Cc1nnc(SCC23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 6114653 NNRVVLAGDUKIFW-UHFFFAOYSA-N 353.535 4.943 0 40 FJAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 6416547 XBYHTMDHSDKWBW-SNVBAGLBSA-N 369.874 4.601 0 40 FJAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(CC)cc3)[nH]c2c1 6567003 FHFSUJRVJVXBSK-CYBMUJFWSA-N 369.490 4.643 0 40 FJAB Cc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)s1 7973666 RNVUSIYRWGIUAO-IBGZPJMESA-N 359.491 4.653 0 40 FJAB Cc1cccc(/N=c2\scc(-c3ccccc3)n2C[C@H]2CCCO2)c1 8076127 AXJKYZHRQKMCHU-LURZSEBBSA-N 350.487 4.936 0 40 FJAB CC[C@H](C)N(C(=O)CCc1c(C)noc1C)c1nc2ccccc2s1 8405309 AWTNOUMAYMWXJI-LBPRGKRZSA-N 357.479 4.665 0 40 FJAB CCN(Cc1ccncc1)C(=S)Nc1ccc(SC(F)F)cc1 8653698 TVEROPHCSMMAGN-UHFFFAOYSA-N 353.463 4.615 0 40 FJAB Cc1nc(Cc2ccccc2)nc2sc(C(=O)N3CCCCC3)c(C)c12 12390665 CLFBLUIVIZPFPC-UHFFFAOYSA-N 365.502 4.525 0 40 FJAB CCSc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 14740084 XFQFQTPRPPGZKV-DTQAZKPQSA-N 367.499 4.829 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 15108937 AAKOUIZMIAJBDT-UHFFFAOYSA-N 351.402 4.573 0 40 FJAB COc1cccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)c1 17227212 PYERXRLQABRGFU-UHFFFAOYSA-N 362.838 4.603 0 40 FJAB C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2OC(=O)c2ccccc2)N1C 20111481 WESAJBQBYCQVNO-ZQMYSKGWSA-N 373.452 4.996 0 40 FJAB biogenic COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1O 20310611 OERHWSGEBQVRBS-UHFFFAOYSA-N 360.610 4.568 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)cc1 20453824 YYRZVJVMNHLRDJ-GOSISDBHSA-N 363.910 4.849 0 40 FJAB Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27582658 NUZRNNKHLCXEJT-OAQYLSRUSA-N 370.924 4.996 0 40 FJAB Cc1noc(C)c1CSCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 31799140 AWDPQDLZOSSHKH-NRFANRHFSA-N 372.534 4.962 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)cs2)o1 31894054 UAGBLNBUBLLLNC-CYBMUJFWSA-N 358.438 4.613 0 40 FJAB CCCCSc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 35671479 GPLAAJKIACHPND-UHFFFAOYSA-N 374.491 4.646 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccn(Cc2ccccc2)n1 40149997 IVKMLXFOLSAIOI-UHFFFAOYSA-N 361.232 4.882 0 40 FJAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2ncsc2c1 46713726 USBGUXJVMMYXSS-UHFFFAOYSA-N 350.365 4.587 0 40 FJAB CCCN(CCc1ccccn1)C(=O)c1csc(-c2ccc(C)cc2)n1 48355037 WBQCGUNLNAHIGP-UHFFFAOYSA-N 365.502 4.608 0 40 FJAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(F)c1 57508769 AAHVOFVHUPKGGC-AUUYWEPGSA-N 354.450 4.593 0 40 FJAB CCc1cc2oc(=O)cc(CN3CCC[C@@H]3c3cccn3C)c2cc1Cl 58165851 AACFYQPJROKNRN-LJQANCHMSA-N 370.880 4.684 0 40 FJAB COc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)sc2C)cc1 72029781 DOTIGXMPJLLKAM-ROUUACIJSA-N 364.470 4.869 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1N1CCCCCC1 72216731 QKIYICJJAATMTK-SFHVURJKSA-N 359.514 4.924 0 40 FJAB CC(C)c1nnc(CCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)o1 72309485 MYJACHZHFZALFY-INIZCTEOSA-N 363.461 4.670 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358005 BYLDASOEIQLRDL-OAQYLSRUSA-N 352.453 4.665 0 40 FJAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(F)cc1Cl 216830382 WPAZSUOXQYKANV-UHFFFAOYSA-N 359.180 4.808 0 40 FJAB CCCOc1ccc(C(=O)NCCCc2ccccc2OCCC)cc1 218982365 UFGRJMYVYQDGSF-UHFFFAOYSA-N 355.478 4.627 0 40 FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223547824 QPBXRCVXQICJHV-KRWDZBQOSA-N 369.530 4.550 0 40 FJAB O=C(CCCOc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 224794447 LMENVWAZQGQJQO-UHFFFAOYSA-N 373.865 4.656 0 40 FJAB O=C(CCCc1ccc2c(c1)OCCO2)Nc1ccc2c3c(cccc13)CC2 224946242 YEROSLQAPQSGMG-UHFFFAOYSA-N 373.452 4.671 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(Oc2nccs2)cc1 225637062 BVFCQORBIUQMMG-UHFFFAOYSA-N 360.822 4.850 0 40 FJAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C[C@@H](C)O1 226318657 QUFCTYXBBBGDGF-OKILXGFUSA-N 356.853 4.757 0 40 FJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1c(N)cccc1Cl 226359508 AEUIQSZSIBMYDQ-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB O=C(CSc1ccc(F)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408543077 NMQGPYROANYACC-WMZOPIPTSA-N 369.486 4.920 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)ccc3OC)S2)cc1 408768630 ZDIWANYGAMSCJA-DPWKNNTCSA-N 374.893 4.511 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 408790390 QXGBAVJOCWAUHS-IDXAHMADSA-N 350.487 4.795 0 40 FJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1nc2ccccc2s1 618255835 AMMQUEVYVBHHDN-CYBMUJFWSA-N 354.456 4.513 0 40 FJAB CCOc1ccc(C(=O)c2ccc(C(=O)c3ccc(OCC)cc3)cc2)cc1 797345 MBDFPHOUKRMTNX-UHFFFAOYSA-N 374.436 4.946 0 40 FJAB O=C(O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2 959161 DKFAKRNPCKXELW-UHFFFAOYSA-N 351.427 4.731 0 40 FJAB CCN(CC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 1447645 OLCDDUIBEQPLTK-UHFFFAOYSA-N 372.472 4.942 0 40 FJAB CC1CCN(C(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)CC1 1459713 XSRACADXQBODNE-UHFFFAOYSA-N 365.864 4.822 0 40 FJAB CCCCNC(=O)c1cc(Br)cc(C2CCCCC2)c1O 1683558 VVSRSLZXCQGMFR-UHFFFAOYSA-N 354.288 4.732 0 40 FJAB COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(C)c1C 2236590 TWPBXGSYJUEWEP-UHFFFAOYSA-N 369.442 4.566 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2c(CC)ccc(Cl)c2CC)cc1 2624277 MXNOBDJGBSPBEW-UHFFFAOYSA-N 367.898 4.664 0 40 FJAB Cc1nc(N(C)CCc2ccccn2)c2cc(-c3ccccc3)sc2n1 2701330 ZSISOFYAKSEFCF-UHFFFAOYSA-N 360.486 4.741 0 40 FJAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1CCc1ccc(Cl)cc1 3043391 AQJQWPBHWSAKPD-UHFFFAOYSA-N 351.258 4.609 0 40 FJAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccccc1-c1ccccc1 3505534 IMOVICMOMPJBDU-OAHLLOKOSA-N 374.469 4.516 0 40 FJAB CC(C)CCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033491 MMCIHAUPPBGAAN-LJQANCHMSA-N 361.489 4.599 0 40 FJAB CCc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685333 DLSREGMUSKUHIH-SFTDATJTSA-N 369.472 4.722 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccccn1 4835314 GVDFFJRXSIXSQZ-UHFFFAOYSA-N 370.396 4.620 0 40 FJAB CCCCCC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4923019 AGTSKUGRWYQAAL-UHFFFAOYSA-N 369.484 4.671 0 40 FJAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1Cl 5126014 KTMXIFJIERQQAJ-UHFFFAOYSA-N 353.834 4.969 0 40 FJAB Cc1cc(C)cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 6832914 HEZQFCJBPVUITR-QFIPXVFZSA-N 372.468 4.803 0 40 FJAB COc1ccc2ccccc2c1CNC1CCN(Cc2ccccc2)CC1 7652302 IQPJUBFXEJHJAI-UHFFFAOYSA-N 360.501 4.603 0 40 FJAB Cc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C)cc1 7986506 FBCSBDKUCVOBGW-UHFFFAOYSA-N 352.488 4.693 0 40 FJAB COc1ccccc1NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 10000493 HEYFQEUUUDYLPD-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)C 11565909 JDIFWFPVHHMQFE-UHFFFAOYSA-N 362.495 4.575 0 40 FJAB CC(C)c1ccc(C(=O)CSc2ncnc3c2cnn3C)c(C(C)C)c1 11683150 JWJQQTUWJHRCBO-UHFFFAOYSA-N 368.506 4.585 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC[C@H]3CCCC[C@H]32)s1 12590579 PTUUTIXMPPILLP-CRAIPNDOSA-N 372.509 4.981 0 40 FJAB CCOc1cc2c(cc1NC(=O)COc1ccccc1C(C)C)O[C@@H](C)C2 12888342 HTLNEUGIHBAUFU-HNNXBMFYSA-N 369.461 4.550 0 40 FJAB CCC(CC)C(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1 13941704 GFACPPLVXAAGNI-HNNXBMFYSA-N 350.462 4.653 0 40 FJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3)c12 13961390 BKKCVIAPAFATMR-UHFFFAOYSA-N 368.440 4.859 0 40 FJAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccccc3)no2)cc1 14019722 ZAMPHAUEDLEHRQ-FQEVSTJZSA-N 363.461 4.863 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 14400142 UTYPTJBQMGWTRJ-NSHDSACASA-N 368.658 4.817 0 40 FJAB COc1ccc(Br)c(C(=O)Nc2ccc(F)cc2Cl)c1 15009730 KGWDUVZMARMCFR-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)cc1 15729444 KDIAYYLOHCQHOC-UHFFFAOYSA-N 365.429 4.965 0 40 FJAB biogenic COc1cc(CN[C@@H](C)c2cccc3ccccc23)cc(OC)c1OC 22787559 VSKIWRVDYAAUNU-HNNXBMFYSA-N 351.446 4.716 0 40 FJAB Cc1ccc(NC(=O)CSCc2ccccc2Br)c(C)c1 22843577 BVKCVPVTJGLEQZ-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2N2CCCC2)c(C)n1Cc1ccco1 22987626 OABQXRITJCVJBL-UHFFFAOYSA-N 363.461 4.599 0 40 FJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCC(C)C)CC2 24445613 XLQGBMNHVPOYFP-NRFANRHFSA-N 373.518 4.676 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(C)n1[C@@H](C)c1ccccc1 24475636 NSBPIRUOTQEUJD-HNNXBMFYSA-N 362.429 4.695 0 40 FJAB COc1ccc(C(=O)CN(C2=NCC[C@H](C)CC2)c2ccccc2)cc1 27526038 FDRGTIHJIUIMFL-QGZVFWFLSA-N 350.462 4.603 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)cs2)o1 31894057 UAGBLNBUBLLLNC-ZDUSSCGKSA-N 358.438 4.613 0 40 FJAB CCc1nc2ccccc2c(C)c1C(=O)OCc1ccc(-n2cccn2)cc1 32744786 UKNSKQRLEGGATB-UHFFFAOYSA-N 371.440 4.648 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1 38771601 UCSMGGQRCOVYRA-TVGZPFHWSA-N 366.549 4.617 0 40 FJAB CCOP(=O)(CCCCCCCCCCCCNCCN)OCC 39337619 ZBMPFRBPXKKTKO-UHFFFAOYSA-N 364.511 4.702 0 40 FJAB O=C(CCSc1nccn1-c1ccccc1)Nc1ccccc1Cl 40051773 MTODHYOXGQUXIK-UHFFFAOYSA-N 357.866 4.647 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 44085506 DNCXYDWLYOLSST-UHFFFAOYSA-N 366.486 4.811 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44933360 SDFFYIOXHPJVSZ-FXAWDEMLSA-N 370.924 4.738 0 40 FJAB S=C(NCc1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 57786828 WBIFVZIGFFBFMB-AWEZNQCLSA-N 359.545 4.569 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CNC(c1ccccc1)c1ccccc1 58160863 FPXJXGZILKZNMS-UHFFFAOYSA-N 364.876 4.966 0 40 FJAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C2(C)C)no1 67889840 DSQCQRMPKLCFBB-BEFAXECRSA-N 358.457 4.544 0 40 FJAB biogenic,in-vitro C[C@@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1ccc(-c2cncnc2)cc1 73248840 GGUHJRPHHQNLRK-MZNJEOGPSA-N 371.484 4.615 0 40 FJAB CC(C)[C@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 95101108 DMEITRWKYQAHAB-HSZRJFAPSA-N 353.506 4.555 0 40 FJAB C[C@H]1C[C@@H](NC(=O)Nc2ccccc2-c2nc3ccccc3s2)CCO1 95982975 HQZVANUHPBBJQV-KBPBESRZSA-N 367.474 4.652 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101383957 GNIXJMMCZSNWBX-DCDXPUDHSA-N 358.869 4.858 0 40 FJAB CCOc1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl 115705204 PPFIBMAGCNMLCP-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCc3ccccc32)cc1 216191260 WNTYLPICWGWICT-BWAGFHJFSA-N 360.501 4.558 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)c(C)c1 216270236 SPZUJDRZHFLGQZ-MRXNPFEDSA-N 366.230 4.693 0 40 FJAB CC1(C)C[C@@H](NC(=O)COc2ccccc2C(C)(C)C)c2ccccc2O1 222798711 XBQSJUFCPJPXKE-GOSISDBHSA-N 367.489 4.782 0 40 FJAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 223654085 IKYLIMSKESBZFE-UHFFFAOYSA-N 365.520 4.731 0 40 FJAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224730932 PBNGVAOUCXJTAI-MRXNPFEDSA-N 353.462 4.759 0 40 FJAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 408623920 VEYOIKNHLGJNJQ-UHFFFAOYSA-N 366.461 4.710 0 40 FJAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc2oc(C(=O)O)cc2c1 565102982 JYJLVPZSFBSPNI-SUMWQHHRSA-N 353.393 4.648 0 40 FJAB C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c2ccccc21 1529239199 PPUWJBCQWAOIGJ-GFCCVEGCSA-N 372.255 4.943 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 682996 XTAVVOHMWNRQKS-KRWDZBQOSA-N 359.425 4.632 0 40 FJAB CC(C)Oc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 755301 SIRIFKZXBRFGPR-UHFFFAOYSA-N 356.429 4.784 0 40 FJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(Cl)c1Cl 810746 IMFIDVKWUYJWFO-UHFFFAOYSA-N 371.223 4.746 0 40 FJAB COC(=O)c1sc(C(C)(C)C)cc1NC(=O)C(Cl)=C(Cl)Cl 2148047 NQDBPFBQHBVKQB-UHFFFAOYSA-N 370.685 4.656 0 40 FJAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Cl)cc3)NC(=O)CN21 2217152 PEWUMKLCFKPZCN-LEQVUBRHSA-N 366.892 4.540 0 40 FJAB 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353.827 4.777 0 40 FJAB O=C(Nc1ccnn1Cc1ccccc1)c1ccccc1Oc1ccccc1 7987169 FRHPVGJWMHLWCU-UHFFFAOYSA-N 369.424 4.976 0 40 FJAB C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccccc3)c2c1=O 7995034 DSEKABOVHYNOPG-AWEZNQCLSA-N 360.438 4.569 0 40 FJAB Cc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)cc1 10213601 SIERRIKPSVJQMQ-UHFFFAOYSA-N 374.492 4.884 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H](c1ccccc1)C1CC1 11201271 CJDZEUVXLTYHHY-SFHVURJKSA-N 350.245 4.640 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)N3CC=C(c4ccccc4)CC3)o2)cc1 11240161 NTQJZLYDRBMNDU-UHFFFAOYSA-N 372.468 4.899 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1F 11915324 RFCLFIRFNSZHSK-UHFFFAOYSA-N 371.368 4.790 0 40 FJAB FC(F)c1cc([C@@H]2CN(C[C@@H]3CC=CCC3)C[C@H]2c2ccccc2)n[nH]1 12129277 XNKPWROMEGXRLI-BPQIPLTHSA-N 357.448 4.887 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2ccccc2c(=O)s1 12274438 RFJGPSVCFZMXSI-UHFFFAOYSA-N 371.461 4.781 0 40 FJAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1cc2ccccc2o1 12636456 YARBEYDLIAWSCU-UHFFFAOYSA-N 352.777 4.671 0 40 FJAB 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COc1ccc2nc(C)c(C(=O)N(Cc3ccc(C)cc3)C3CC3)cc2c1 26020714 ZFZDRNXSYVEPTC-UHFFFAOYSA-N 360.457 4.665 0 40 FJAB CC(C)(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCCCC2)cc1 28292881 GXGPHGHOVBFQBS-QFIPXVFZSA-N 364.533 4.941 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 30866090 IFHZJNNWFNVNQO-NPZXAABXSA-N 353.462 4.621 0 40 FJAB CN(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 40114560 NYNRWGKGFQGWKP-GOSISDBHSA-N 371.440 4.519 0 40 FJAB CCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)c1cc(C)ccc1C 58714102 QTBCSXXOYRFNON-UHFFFAOYSA-N 355.526 4.758 0 40 FJAB Cc1cc(NC(=O)c2cccnc2NC(C)C)ccc1Oc1cccnc1 72289520 GDJKAJORINELRZ-UHFFFAOYSA-N 362.433 4.650 0 40 FJAB COc1ccc2[nH]cc(C3CCN(Cc4ccncc4Cl)CC3)c2c1 75647215 OUXTTXYFIZIZBA-UHFFFAOYSA-N 355.869 4.605 0 40 FJAB CN(Cc1cccc2ccccc12)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 83864197 IIXRDWXJJYGZLC-UHFFFAOYSA-N 359.404 4.641 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)cc1 100768889 WUYKWGBQZCUCIQ-RWQQGDIJSA-N 353.849 4.522 0 40 FJAB O=C(c1cnn(-c2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 105261082 RLYHIWLGWSSPCL-UHFFFAOYSA-N 367.452 4.715 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCCC1 107958322 NEAYFCBFSCPWAJ-UHFFFAOYSA-N 365.260 4.855 0 40 FJAB O=C1N(c2ccsc2)c2ccccc2C12CCN(Cc1ccco1)CC2 109770393 YAYFOKAXRRNWPM-UHFFFAOYSA-N 364.470 4.553 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219078536 WCGMISYEPKFABH-IBGZPJMESA-N 353.506 4.943 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1CCc1ccccc1 223006046 FPRZKVLEEPQHTM-SFHVURJKSA-N 359.469 4.971 0 40 FJAB Cc1ccc(SCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224984141 ZTNAHJQJLYUNKA-UHFFFAOYSA-N 363.910 4.714 0 40 FJAB COc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1Cl 225123954 YTIHNSSWHDHDHE-LJQANCHMSA-N 356.805 4.577 0 40 FJAB CCOc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225182376 HDCLYHSIFLKTRY-UHFFFAOYSA-N 355.478 4.500 0 40 FJAB CO[C@@H](CNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)s1 225702559 BIHWUIBJQHREGB-INIZCTEOSA-N 359.878 4.601 0 40 FJAB O=C(c1ccccc1Cl)N1CCC(Oc2cccc3cccnc23)CC1 225705707 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C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(Oc2ccccc2)c1 2483599 CAVJKLSKXVXPPJ-QGZVFWFLSA-N 359.425 4.836 0 40 FJAB Cc1cccc(Nc2nnc(SCC(=O)c3cccs3)s2)c1C 3463426 PZCSLPJSYNYPCX-UHFFFAOYSA-N 361.517 4.935 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc3ccccc3c1)CSC2 3892350 NUZFKOALKYGXIL-UHFFFAOYSA-N 351.475 4.790 0 40 FJAB O=C(Nc1cccc(Br)c1)c1ccc(Br)cc1F 4070171 AZPYQCJMOQBTON-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)c1 4768071 QMXNHYIECIXZGZ-UHFFFAOYSA-N 371.502 4.738 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 5234093 FQTZFCYLHXGQDS-UHFFFAOYSA-N 352.411 4.971 0 40 FJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(Cl)s1 5752317 NRCYHXFMWSBUFV-QPJJXVBHSA-N 374.767 4.860 0 40 FJAB Cn1/c(=N\C(=O)c2cccc(Oc3ccccc3)c2)sc2ccccc21 6422913 FZTVQJRSFJJXSF-QURGRASLSA-N 360.438 4.773 0 40 FJAB Cc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)n(C2CCCC2)c1C 7120504 SBVSSHQHPHNDKJ-IBGZPJMESA-N 369.534 4.727 0 40 FJAB O=C(NC1CC1)[C@H](Sc1nc(-c2ccccc2)cs1)c1ccccc1 7501838 MLIDBONYVHCRPV-GOSISDBHSA-N 366.511 4.922 0 40 FJAB COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3cccs3)C[C@@H]21 7596969 KIGCCPSJMFQAMY-YWZLYKJASA-N 366.442 4.900 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)CCc3cccs3)n2c1 8012847 LSLHMHLXDBCURR-UHFFFAOYSA-N 361.470 4.943 0 40 FJAB COc1ccc(-n2c(SC(C)C)nc3ccccc3c2=O)cc1Cl 8953292 BNRCQFQSCRGDBR-UHFFFAOYSA-N 360.866 4.548 0 40 FJAB COC(=O)c1sc2nc(C)nc(N[C@@H](c3ccccc3)C3CC3)c2c1C 10044483 LBNSDZZJOKEVDY-INIZCTEOSA-N 367.474 4.658 0 40 FJAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)on1 12422416 ILCCQQCIPKFIJA-UHFFFAOYSA-N 354.218 4.666 0 40 FJAB Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3ccccc3)cs2)n1 12441770 OBZJDUZBMOYMLD-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1F 12550678 UECRLAOJRMDUGH-INIZCTEOSA-N 355.457 4.564 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 12755519 KYIDTNHNDDHCRV-GOSISDBHSA-N 369.852 4.736 0 40 FJAB C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)cc1F 12774882 KGTJILIQSGLVEC-VIFPVBQESA-N 350.415 4.641 0 40 FJAB Cc1ccc(C)c(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 12905517 JXERJTWVQKFZBJ-UHFFFAOYSA-N 351.446 4.525 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 13633101 XULHHWCVMGDJAE-KRWDZBQOSA-N 374.440 4.653 0 40 FJAB O=C(CCCc1ccccc1)Nc1nnc(CCCc2ccccc2)s1 13856313 UBLYMVMDAAMAIT-UHFFFAOYSA-N 365.502 4.675 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14709776 QBYSOSAUQCNWGX-UHFFFAOYSA-N 369.827 4.796 0 40 FJAB Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2ccccc21)c1ccccc1 15346763 HTCKQPPSNQNJOY-RDPSFJRHSA-N 372.468 4.512 0 40 FJAB COc1cc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)ccc1O 18222083 HMVQIHRJIBCNDH-UHFFFAOYSA-N 374.444 4.978 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20141577 VLHQGCDBKNZMFT-UHFFFAOYSA-N 368.216 4.731 0 40 FJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2O)cc1C 22508157 PCNVHHVJVAKZHE-UHFFFAOYSA-N 350.443 4.808 0 40 FJAB Cc1ccccc1CS(=O)(=O)N[C@@H](c1ccccc1)c1ccccc1C 22514919 JDVKTFWINVQQLB-QFIPXVFZSA-N 365.498 4.512 0 40 FJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(O)c(Cl)c1 25618187 MXFMUBWKIKAMBT-KRWDZBQOSA-N 361.825 4.766 0 40 FJAB Cc1ccc(Cn2cc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1 27920120 XQHHXDJSIDKNBV-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2F)o1)c1ccccc1 27983549 JMRFPUDWPWHWEV-ZDUSSCGKSA-N 357.356 4.628 0 40 FJAB CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C#N)O1 38549761 JQXOTYALWMLXAU-UUHQUXNKSA-N 369.505 4.542 0 40 FJAB biogenic C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 44912828 SVAWLAPZEJNREM-APWZRJJASA-N 368.908 4.530 0 40 FJAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57412615 YBTZUZIOGXNLDX-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CC(C)(C)c1ncc(NC(=O)Cc2coc3ccc4ccccc4c23)cn1 58406887 KZQAAOPHOYJIBS-UHFFFAOYSA-N 359.429 4.855 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccc(OC(F)(F)F)cc1 59477067 FNRYIRHBDYTNEI-UHFFFAOYSA-N 361.319 4.756 0 40 FJAB Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(C)c1 72331200 LCLVVAJJVVNCTD-UHFFFAOYSA-N 363.288 4.573 0 40 FJAB CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 72350287 RJSSNBORIIWTLC-NRFANRHFSA-N 374.532 4.577 0 40 FJAB CCCc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 102308087 NKEVONKMIIRLDD-RATCPTGTSA-N 369.505 4.510 0 40 FJAB C[C@@H](OCc1ccccc1)[C@@H](C)Oc1nc(Cl)ncc1C(F)(F)F 114750511 IEMJDGAUPKXAFK-GHMZBOCLSA-N 360.763 4.521 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 216151357 HBBRPKUDCPEPQA-QGZVFWFLSA-N 361.441 4.765 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(Cl)c1 219292371 OFXJUZAAUJUGRB-KBXCAEBGSA-N 373.880 4.834 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222977174 KNEWEABDBQHAAZ-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 224924154 YSISDPRLICVBCF-GOSISDBHSA-N 358.869 4.736 0 40 FJAB Cc1ccc(CNC(=S)Nc2cccc(-c3csc(C)n3)c2)cc1 225179805 PDIPKRWXLKWPND-UHFFFAOYSA-N 353.516 4.914 0 40 FJAB COc1cc(C)ccc1[C@H]1C[C@@](C)(NC(=O)C(C)C)[C@@H]2CC[C@@H](C)C[C@H]2O1 257268862 MNNMOOVKURPWHZ-DDRMBWNKSA-N 373.537 4.801 0 40 FJAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCC2 727412 WDJHZIQNEJZIIQ-UHFFFAOYSA-N 365.454 4.819 0 40 FJAB COc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 898929 AIFBBZJYKWZXQV-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB Cc1ccc2cc(C)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1 932910 JGDVHTZNCOEDMZ-UHFFFAOYSA-N 365.502 4.648 0 40 FJAB CC[C@H](OC(=O)c1ccc(C)c(Br)c1)C(=O)c1ccccc1 991685 AVDDWSOSXGDMGS-INIZCTEOSA-N 361.235 4.576 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nc(C)c1C 2625537 KTMCFWGULCITJC-NSHDSACASA-N 370.305 4.828 0 40 FJAB Cc1ccc(N2C(=O)C[C@H](SCc3ccc(Cl)cc3)C2=O)c(C)c1 3326454 XGAJUQRIYNAUIB-KRWDZBQOSA-N 359.878 4.522 0 40 FJAB Cc1cccc(C)c1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 3448205 FNUOZDJOLJDGSC-UHFFFAOYSA-N 350.418 4.740 0 40 FJAB Cc1ccc(C[C@H](Sc2nc3cc(C)ccc3[nH]2)C(=O)O)c(Cl)c1 4626255 OIJCUTVJENGLLV-INIZCTEOSA-N 360.866 4.621 0 40 FJAB COc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 4694896 YPBAXMXQJZMQFX-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB C[C@H]1CC=CC[C@@H]1COC(=O)CCCCC(=O)OC[C@@H]1CC=CC[C@@H]1C 4783016 FVBFUZKTISMNMG-LWYYNNOASA-N 362.510 4.838 0 40 FJAB O=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 5023198 VWHVOMNWBSTRIX-UHFFFAOYSA-N 362.813 4.973 0 40 FJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](CO)[C@@H](C(C)C)C[C@@H]3CC[C@@H]12 5084826 RIFVPADJXHOIQV-SSLWXMMXSA-N 350.543 4.673 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccccc1Cl 6352007 BEKDSHGGUZWVOJ-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB CC(=O)c1cccc(OC(=O)c2ccc(COc3ccc(C)cc3)cc2)c1 6479763 RGGRYEDOIBBALP-UHFFFAOYSA-N 360.409 4.996 0 40 FJAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 6594965 ZSRJYEHDGXVNQM-LJQANCHMSA-N 354.450 4.626 0 40 FJAB COc1ccc(-c2c(C)nn3c(-c4ccccc4)cc(C)nc23)cc1OC 6721569 FEANIWPBMFXRSA-UHFFFAOYSA-N 359.429 4.697 0 40 FJAB CSc1ccccc1C(=O)Nc1c(F)cc(F)cc1Br 6869415 IRIIKAFNMZAUCF-UHFFFAOYSA-N 358.207 4.702 0 40 FJAB CCCCCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC=O 8048257 GANRANGPJASCPV-UHFFFAOYSA-N 371.458 4.883 0 40 FJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H]2CCCC[C@H]21 8395578 DSFQEXXNYRHAOA-ZWKOTPCHSA-N 371.912 4.688 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1C 8494846 VVWOJRBMVHQLOM-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB COc1cccc(CNCc2ccccc2)c1OCc1ccccc1F 8495694 GRCIPSMFCWNLJO-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB Cc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1C 9289142 WZRDHKDUFRHAON-UHFFFAOYSA-N 354.866 4.573 0 40 FJAB COc1ccc(-c2nnc([C@H](C)Nc3ccc(Br)cc3)o2)cc1 9607461 VCLHWAVXMRCNOS-NSHDSACASA-N 374.238 4.681 0 40 FJAB CCC[C@@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C)c1ccccc1 12727389 NOSYVAQHSYEJFG-SJLPKXTDSA-N 365.473 4.721 0 40 FJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 14387160 FFOJHLULCDKETP-UHFFFAOYSA-N 352.478 4.718 0 40 FJAB O=C(CCCOc1ccccc1)NCCSCc1ccc(Cl)cc1 14398240 BHZOBAFNLBYEMK-UHFFFAOYSA-N 363.910 4.549 0 40 FJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)nc1 23459437 LREXZXJXVCNGPP-UHFFFAOYSA-N 351.372 4.507 0 40 FJAB CCCCn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12 40484625 QSZXUXIYJFZIQJ-UHFFFAOYSA-N 351.837 4.770 0 40 FJAB CC(C)c1noc(CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 41611742 VYWLZANVGXLRMS-UHFFFAOYSA-N 365.433 4.947 0 40 FJAB Cc1cc(CN(C)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)no1 47560987 BRXSIIAUUYIUQC-UHFFFAOYSA-N 374.460 4.555 0 40 FJAB Cc1ccc(-c2noc(CSc3nc(-c4ccccc4)c[nH]3)n2)cc1F 48235290 JKRYACYXXSOBLT-UHFFFAOYSA-N 366.421 4.867 0 40 FJAB O=C(Nc1ccc(-n2ccnc2)cc1)c1cccnc1SC1CCCC1 54845399 OTCCKWFPDLBNAD-UHFFFAOYSA-N 364.474 4.554 0 40 FJAB CC(C)Cn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67258741 FFIZSVHQCHOPTR-UHFFFAOYSA-N 360.429 4.623 0 40 FJAB COCc1c(C(=O)N(CCc2cccc(F)c2)C2CC2)oc2ccccc12 70958999 DQHAXPGHNSXRPR-UHFFFAOYSA-N 367.420 4.566 0 40 FJAB Cc1nn(-c2ccccc2)c(O)c1Sc1c(F)c(F)c(F)c(F)c1F 100879173 ISNUUWYJLLUFCM-UHFFFAOYSA-N 372.318 4.733 0 40 FJAB C[C@@H](Nc1ncc(-c2noc(C(F)(F)F)n2)cc1Cl)c1ccccc1 205911455 FODMIKQPUQMCIY-SECBINFHSA-N 368.746 4.977 0 40 FJAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(OC)c(C)c1 222796029 QBOMPXQQNYROPV-SFHVURJKSA-N 361.482 4.643 0 40 FJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225011948 MVDIHFRPQVXHBA-MOPGFXCFSA-N 368.550 4.553 0 40 FJAB O=C(O)C1(c2ccccc2)CCN(Cc2ccc(Cl)cc2Cl)CC1 391962168 BENVKGXNRSELHI-UHFFFAOYSA-N 364.272 4.612 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cccc(C)c2)c1 408698576 OEYXJXNOBNWYOZ-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB O=C(NCCc1csc(-c2ccccc2)n1)c1cc(F)ccc1Cl 569026314 ZEMFPMWNFJZXNE-UHFFFAOYSA-N 360.841 4.575 0 40 FJAB O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@@]2(C1)CC2(F)F 650918986 PFZZKZBOHCCNHD-CTNGQTDRSA-N 355.428 4.661 0 40 FJAB COC(=O)c1nc(-c2ccccc2)oc1Nc1cc(-c2ccc(C)cc2)[nH]n1 1775965302 ZSMTWGYFSVFEBQ-UHFFFAOYSA-N 374.400 4.570 0 40 FJAB Cc1ccc(C(=O)O)c(OCCN(C(=O)OC(C)(C)C)c2ccccc2)c1 2037873640 BDBDPRFBFVCHCL-UHFFFAOYSA-N 371.433 4.514 0 40 FJAB COc1ccccc1Nc1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1 657853 LOUSYNFGTDGABN-UHFFFAOYSA-N 368.458 4.806 0 40 FJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(C(C)=O)cc1 955150 SMUMYPZIVYGQDV-UHFFFAOYSA-N 362.429 4.920 0 40 FJAB CC1=CC(C)(C)N(C(=S)NC(=O)c2ccc(C)cc2)c2ccccc21 2316413 MFCANPFXWWMJOY-UHFFFAOYSA-N 350.487 4.712 0 40 FJAB CC(C)Oc1ccc(CSCCNC(=S)Nc2ccccc2)cc1 3066418 QXCGEMASLUTLIE-UHFFFAOYSA-N 360.548 4.694 0 40 FJAB O=C(OC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3287235 FLWNYQHDMKOHBB-LBPRGKRZSA-N 373.861 4.953 0 40 FJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 3326949 UYQHNVVZCGQZRN-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 3366539 ACYKAVGVJCOVHV-BXKDBHETSA-N 366.836 4.541 0 40 FJAB COc1ccccc1[C@]1(CCNCc2ccccc2)CCO[C@@H](C(C)C)C1 4043898 MCHNBXKKQKBCSE-DNQXCXABSA-N 367.533 4.948 0 40 FJAB biogenic CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2 4156071 DTJWRFRUOBDPAS-UHFFFAOYSA-N 351.512 4.957 0 40 FJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cccc(F)c1 4355619 OAHPTHLKNGRQDJ-UHFFFAOYSA-N 373.840 4.667 0 40 FJAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1ccco1 5322758 FJGFSCBMDVARGD-UHFFFAOYSA-N 365.385 4.913 0 40 FJAB CCc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 6381189 OLOFNUHWKIICPK-UHFFFAOYSA-N 369.468 4.828 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)NCCc1ccc(F)cc1 6435169 PXNFYLYUVVQWGJ-UHFFFAOYSA-N 374.506 4.667 0 40 FJAB CN(C)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 6437117 OAKNQOGRECTGTA-QFIPXVFZSA-N 359.469 4.665 0 40 FJAB COc1ccc(OCCN2CCC(c3nc4ccccc4s3)CC2)cc1 6848077 MRMWHBNJOBQHJX-UHFFFAOYSA-N 368.502 4.563 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)Nc1nc2ccccc2[nH]1 7239057 NSYIRXOHAGJDOB-UHFFFAOYSA-N 368.487 4.684 0 40 FJAB Cc1cccc(CSCC(=O)Nc2nc(-c3ccccc3)cs2)c1 7989778 UZRXJJHAOWLPNG-UHFFFAOYSA-N 354.500 4.990 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1NC(=O)c1ccco1 8434647 SELRGEKYOXHNMK-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB Cc1ccc(-n2ccnc(SCc3ccc(F)cc3Cl)c2=O)cc1 9320406 ZZOQUAOJEQIYHP-UHFFFAOYSA-N 360.841 4.626 0 40 FJAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(F)cc3)n2)N1C1CC1 12542778 JUJPMEGRYUMEOI-GOSISDBHSA-N 365.433 4.678 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1C 12767430 JPMBMARMJUMERK-OAHLLOKOSA-N 361.869 4.693 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3cc4ccccc4o3)c12 12923172 QYPSGZMYTXIGRN-LLVKDONJSA-N 361.401 4.646 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1F 12992091 CAHNQPGOISPNQE-HNNXBMFYSA-N 354.450 4.764 0 40 FJAB CC(C)c1ccc([C@H]2CC(=O)c3cn4c(nc3C2)nc2ccccc24)cc1 13238077 ADQWLNPBTLJDLG-QGZVFWFLSA-N 355.441 4.919 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 14268972 GBPJAGIOINSORT-AWEZNQCLSA-N 358.869 4.980 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)cc1 20610452 SQXIVFIZTPLLHK-UHFFFAOYSA-N 356.429 4.796 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1sc(-c2cccnc2)nc1C 22237560 QGLNUQUNQUBAFD-UHFFFAOYSA-N 351.475 4.891 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 22519459 RKYWSQJVNYZWNN-UHFFFAOYSA-N 352.478 4.570 0 40 FJAB CC(C)[C@@H](NCC(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccs1 29203199 IBDLUBVPACLUBG-VBKZILBWSA-N 356.491 4.658 0 40 FJAB CSCc1c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)oc2ccccc12 32738329 DXNGIEAOJBFQOX-GFCCVEGCSA-N 365.458 4.663 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC 58161825 ISIHBRKYZWNOQJ-YESZJQIVSA-N 354.494 4.887 0 40 FJAB COc1ccc(NC(=O)c2nccc3ccccc23)cc1OC1CCCC1 58421693 URGIXZDCHNRUFH-UHFFFAOYSA-N 362.429 4.817 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCc1nnc(-c2ccsc2)o1 58617913 KJAFSQJOLGEFLJ-VNQPRFMTSA-N 362.495 4.735 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 68776673 SOQFMHXIAYAJEC-IFXJQAMLSA-N 356.466 4.568 0 40 FJAB C[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1cccc2ccccc12 84656396 VGAOYHUOJLBERP-AWEZNQCLSA-N 358.397 4.829 0 40 FJAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1C(F)(F)F 90607228 RFUMRLZKJOLMHF-UHFFFAOYSA-N 371.362 4.767 0 40 FJAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[C@@H]1CC1(Cl)Cl 97362217 KFCKLHDXPNCGQH-AAEUAGOBSA-N 360.693 4.801 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2c2ncnc3ccc(Br)cc23)C1 100645480 NNEVMBDBIWBOIP-SCLBCKFNSA-N 360.299 4.797 0 40 FJAB O=C(OCc1cc(-c2ccco2)on1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 104103412 KCUBQEYYGIJTQU-NYYJTOMGSA-N 361.825 4.556 0 40 FJAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)C1c2ccccc2Oc2ccccc21 206757858 BSBOKJNPYRGSLK-XYPWUTKMSA-N 365.498 4.809 0 40 FJAB COc1cccc(CC(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)c1 206879220 ZITNERMWRRKRCU-SFHVURJKSA-N 357.881 4.687 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1F 216308367 SRTCBYWAHAFQFY-UHFFFAOYSA-N 369.461 4.651 0 40 FJAB Cc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)ccc1Cl 218942349 RPQHOROMTHTROO-UHFFFAOYSA-N 359.897 4.900 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1CCc1ccccc1 223005970 FPRZKVLEEPQHTM-GOSISDBHSA-N 359.469 4.971 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccccc2)c1 408697299 IPYRFYXIVUKKNZ-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB FC(F)Oc1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1 1138908467 RJVNASLWBMCPEX-HXUWFJFHSA-N 354.400 4.695 0 40 FJAB CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 1775977337 TUTPKABXNJNVGM-RBUKOAKNSA-N 371.864 4.895 0 40 FJAB Cc1ccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c(C)[nH]c2c1 2314344 DWTCRRWIBXGZAC-UHFFFAOYSA-N 360.501 4.922 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)c(Cl)c1 2644951 WRXZBOIWXYXMHZ-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 3088129 SYUFJJNYIPWFAT-UHFFFAOYSA-N 354.450 4.856 0 40 FJAB COc1ccc(OC)c(C(=O)CSc2nc3ccccc3cc2C)c1 4161024 QSBDNFWWQAHJEZ-UHFFFAOYSA-N 353.443 4.535 0 40 FJAB CN(C)C[C@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccc(Cl)cc1Cl 5573837 MLUKYQZFCRKVSG-QLOXRLCESA-N 356.293 4.670 0 40 FJAB C[C@H]1CCc2nc(NC(=O)c3ccc(COc4ccccc4)o3)sc2C1 6609285 VBMQUAHYAKDIIO-ZDUSSCGKSA-N 368.458 4.692 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 6651778 NMWPVFLQHRFFOG-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4cccs4)nc3c12 6759319 WVKBPKPNPJUGJZ-UHFFFAOYSA-N 351.479 4.930 0 40 FJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(C)oc2C)c2ccccc2)cc1 6863614 RSXTUNLPCQGYPR-HXUWFJFHSA-N 363.413 4.742 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 6940312 GPQWLSJFBUUAKM-KRWDZBQOSA-N 352.478 4.818 0 40 FJAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1C 7236526 PYHCDGNWGGXKNC-OAHLLOKOSA-N 369.490 4.672 0 40 FJAB CCc1ccc(-c2csc(NC(=O)Cc3noc4ccccc34)n2)cc1 7808070 FOZOTURAXAMFCC-UHFFFAOYSA-N 363.442 4.695 0 40 FJAB Cc1nc2ccc(NC(=O)CCc3nc4ccccc4s3)cc2s1 8351814 WMKHWIMBSWZCKO-UHFFFAOYSA-N 353.472 4.786 0 40 FJAB Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 8738007 LCUHMQXLQPEVTB-UHFFFAOYSA-N 374.853 4.723 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9134505 FCWLBUOJVCNMDU-UHFFFAOYSA-N 358.397 4.630 0 40 FJAB COc1cc(CCC2CCN(C(=O)Nc3ccccc3)CC2)cc(OC)c1 10407306 SKUMIHJIWPJMAC-UHFFFAOYSA-N 368.477 4.581 0 40 FJAB Cc1ccc(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 10696702 BYXJUBZVMJLCEQ-UHFFFAOYSA-N 353.472 4.704 0 40 FJAB Cc1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)on1 12119694 MSJVHBRYMASSCB-KRWDZBQOSA-N 369.396 4.535 0 40 FJAB Cc1nc2sc3c(c2c(-c2cccs2)c1C(=O)N(C)C)CCCC3 12767816 WXSGNEUTAQAXNS-UHFFFAOYSA-N 356.516 4.914 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 15431961 XDTWHMZGYLBCST-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB COc1ccc(C[C@@H](NC(=O)CC2CCCC2)c2ccc(OC)cc2)cc1 18704876 LCDAYWUFVDFSRV-JOCHJYFZSA-N 367.489 4.684 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(C)cc1 20038947 FJAXZPKGERWOGX-LJQANCHMSA-N 357.519 4.510 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSc1ccc(Cl)cc1 20460546 HEXZJLSQCTZZBE-QGZVFWFLSA-N 363.910 4.714 0 40 FJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 20610093 FXIDZKSGBOPRHJ-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB COc1ccc(-n2nc(Nc3ccccc3C)c3c2C[C@H](C)CC3=O)cc1 20796947 MWZNFMIDIWLGML-AWEZNQCLSA-N 361.445 4.698 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(C)c1 20988991 RXGGWLBICGIKBD-UHFFFAOYSA-N 372.468 4.528 0 40 FJAB O=C(CCCC(=O)c1cccs1)Nc1cccc(OC(F)(F)F)c1 25707524 GRRPGDNLZIPPME-UHFFFAOYSA-N 357.353 4.638 0 40 FJAB CC(C)c1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccco3)n2)cc1 31250568 CYPRFHNCSOMKCT-CQSZACIVSA-N 354.475 4.946 0 40 FJAB CCc1oc2ccccc2c1/C=C/C(=O)O[C@H](c1nccn1C)C(C)C 32818889 KRHMDZVFPHNCLT-CFGKVWFZSA-N 352.434 4.682 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cccs1 32868763 HDAWLBFYVQZRIJ-CQSZACIVSA-N 363.442 4.685 0 40 FJAB Cc1ccc2c(c1)CCCN2C(=O)c1sc(Cc2ccccc2)nc1C 33156786 FLIWRUGYKBDAQP-UHFFFAOYSA-N 362.498 4.944 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)oc2c1C(=O)CCC2 40129792 HKGRSRXTUMTLLU-UHFFFAOYSA-N 366.244 4.686 0 40 FJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccccc2Cl)no1 45851755 OEHFFUODZXJQOJ-UHFFFAOYSA-N 359.838 4.576 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1 59294403 RWQYXUNEXLYECH-UHFFFAOYSA-N 361.854 4.632 0 40 FJAB Cc1cc(NC(=O)[C@H](c2ccccc2)n2cccc2)ccc1Br 70636893 SCJDNXRIBXCULM-SFHVURJKSA-N 369.262 4.787 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(F)cc2Br)c(F)c1 71326087 MPPDJMMOKXNTDK-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB COc1cccc2[nH]c3c(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c12 101135016 QIEYHUJTNVMLIU-ASSNKEHSSA-N 350.466 4.525 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 224752383 ITMMUDXNUYPTHE-UHFFFAOYSA-N 373.827 4.908 0 40 FJAB CCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C 225871466 MARXPGWYFNHXQK-UHFFFAOYSA-N 368.477 4.638 0 40 FJAB COc1ccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)cc1 226331314 ZMAAOGUCPDFIAX-HZPDHXFCSA-N 367.493 4.605 0 40 FJAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)c1 408696410 BCZAUFPNADLYJP-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB C[C@H](Nc1ncc(C(=O)N(C)C)cc1Cl)c1cccc(C(F)(F)F)c1 614477283 AQNKDCNCROHUGP-JTQLQIEISA-N 371.790 4.629 0 40 FJAB CCN(Cc1ccccc1Br)Cc1cccc(O)c1Cl 1621279783 GLJNSMKBAGGIIX-UHFFFAOYSA-N 354.675 4.830 0 40 FJAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2csc3c2CCCC3)cc1 1634527097 DNGKOEDIEAUSRV-DYESRHJHSA-N 369.530 4.833 0 40 FJAB O=[P@]1(Nc2nc3ccc(Cl)cc3s2)COc2ccccc2O1 2210686 ONOJRVCKEKPZJK-OAQYLSRUSA-N 352.739 4.984 0 40 FJAB CCOc1cc(C(=O)Nc2ccccc2Cl)cc(OCC)c1OCC 3483274 UGCJFGCVHLYGBP-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB O=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Oc2ccccc2)cc1 3515959 CENAVVYXHXGROM-UHFFFAOYSA-N 374.425 4.645 0 40 FJAB CN(C)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1 4135335 JXKCGIWTWRTVJU-UHFFFAOYSA-N 357.413 4.813 0 40 FJAB C[C@H]1C[C@@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]12 4915349 UCSIADQIPSFJSN-LAPQFRIASA-N 373.924 4.692 0 40 FJAB CC1=C(/C=C/[C@H](O)CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)CCC1 5456995 IIIWMUPWTIFDSH-MLRMMBSGSA-N 360.338 4.676 0 40 FJAB Fc1cccc(CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 5499368 PTFJGPAEJAQSPS-UHFFFAOYSA-N 370.840 4.900 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccc2ccccc12 5714688 ORUXLNQDFRCXNM-UHFFFAOYSA-N 367.832 4.526 0 40 FJAB Cc1nc2ccccc2nc1COc1ccc(OC(=O)c2ccccc2)cc1 6200853 PEFGMFFPUGISEY-UHFFFAOYSA-N 370.408 4.736 0 40 FJAB O=C([C@@H](Sc1ncnc2sccc12)c1ccccc1)N1CCCCC1 7112898 NEOZMWNPBWBARK-INIZCTEOSA-N 369.515 4.537 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccc4c(c3)CCC4)cc(C3CC3)nc21 7985131 BVHYZHAUFOBDOU-UHFFFAOYSA-N 360.461 4.631 0 40 FJAB c1ccc(COc2ccc(OCc3nc(-c4ccsc4)no3)cc2)cc1 8006726 CDDULUWNLZABOZ-UHFFFAOYSA-N 364.426 4.956 0 40 FJAB Cc1cccc2sc(NC(=O)c3ccc(F)cc3Br)nc12 8061527 HRNVELFWJUCUQS-UHFFFAOYSA-N 365.227 4.759 0 40 FJAB CCOC(=O)c1oc2nc3c(c(-c4ccco4)c2c1N)CCc1ccccc1-3 8382969 HKWPFTDQTDFYRF-UHFFFAOYSA-N 374.396 4.612 0 40 FJAB COc1cccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)c1 12407859 OJPCMPACAPAWFZ-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1cccn2cc(COC(=O)c3ccc(Oc4ccccc4)cc3)nc12 12525124 OUKPRNQIWGURHW-UHFFFAOYSA-N 358.397 4.792 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H]3CCOc4ccccc43)ccc2c1 14198533 JAKOUDPFAGQQSP-YCRPNKLZSA-N 361.441 4.592 0 40 FJAB Cc1n[nH]c(C)c1SCC(=O)Nc1cccc(Oc2ccccc2)c1 14230726 WUZRYVWWPOPUIV-UHFFFAOYSA-N 353.447 4.550 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 14399708 DRBJTOPVOOQTQO-FQEVSTJZSA-N 359.469 4.991 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 17918357 RBZFLLBVDODWIT-UHFFFAOYSA-N 374.868 4.959 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(Cl)cc1 22529301 FFPMJNHQUMTURE-FQEVSTJZSA-N 359.897 4.863 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3cccc(Cl)c3)cc(C3CC3)nc21 23119766 CCDCXHNPERAEKN-UHFFFAOYSA-N 354.841 4.795 0 40 FJAB COc1cccc(-n2ccnc2SCc2coc(-c3ccccc3)n2)c1 25743378 XIBZEPNDOHRMPY-UHFFFAOYSA-N 363.442 4.828 0 40 FJAB COc1cccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)c1 27584651 FMJCBZBYVBCYOV-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=S)N1c1ccccc1 28405757 ORZUHKYELSUTSM-FQEVSTJZSA-N 358.466 4.562 0 40 FJAB O=C(Nc1ccccc1Cl)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35289452 LYTJUAPBQQFQRY-AYHJJNSGSA-N 369.896 4.657 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38849512 XYKMIDWYWHQLQA-MRXNPFEDSA-N 360.860 4.638 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1CCCC1 40040597 UHJJNOOGPJJDFI-INIZCTEOSA-N 350.462 4.649 0 40 FJAB COCc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cc1 44758719 XKVAUKWZBZXREO-UHFFFAOYSA-N 374.440 4.646 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C 44856400 ZSYNBAJOVKWESP-IBGZPJMESA-N 350.506 4.780 0 40 FJAB CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1C1CCCCC1 69950651 VXTBPNXALSJOHI-IBGZPJMESA-N 359.510 4.816 0 40 FJAB Cc1c(F)cccc1NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 71325999 BTKHEBCHMVBJOE-UHFFFAOYSA-N 369.421 4.788 0 40 FJAB Cc1ccc(-c2nc(C(=O)N[C@@H]3CCOc4ccccc43)cs2)c(C)c1 84142203 ZSDWEHWHFKKBPI-QGZVFWFLSA-N 364.470 4.681 0 40 FJAB COc1cc2c(cc1OC)C(C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)=NCC2 100682434 JZAAMTICFFUNDT-RKOMNEFPSA-N 359.897 4.627 0 40 FJAB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cc1ccc(Cl)cc1 102675363 FZHCYFXJYMRCET-UHFFFAOYSA-N 363.848 4.963 0 40 FJAB C[C@H](NC(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103353108 DVTHFBWCYCKFML-GIUOSPMZSA-N 373.500 4.639 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)sc1-c1ccc(F)cc1 113905315 YPGFRPUXDCULJY-UHFFFAOYSA-N 366.417 4.610 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCC)cc2)cc1 218981208 AMIZSPRTEICAHT-UHFFFAOYSA-N 355.434 4.685 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3OC(C)C)N21 222668189 YPNKZMGBUICRDJ-CDHQVMDDSA-N 367.518 4.848 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccc2ccccc12 222824962 REZFZWRTVJLIOK-UHFFFAOYSA-N 360.240 4.842 0 40 FJAB COc1ccc(-c2ncc(C(=O)Nc3ccc(Cl)cc3C)c(C)n2)cc1 223141105 IFKMQZHQKKKANH-UHFFFAOYSA-N 367.836 4.675 0 40 FJAB O=C(CCc1ccccc1Cl)NCCOc1cccc2ccccc12 223560783 VHWXZOMYUWGQMO-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB COc1cc2c(cc1S(=O)(=O)Nc1cccc3ccccc13)CCCC2 224146304 BPDPFMNJEHTERE-UHFFFAOYSA-N 367.470 4.528 0 40 FJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COCc1ccccc1 224750876 ROYCMOJLNQMWNT-UHFFFAOYSA-N 367.489 4.818 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NCCSCc2ccco2)cc1 225347956 INJBAUCLOIMYDM-UHFFFAOYSA-N 360.426 4.518 0 40 FJAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccc(Cl)c(Cl)c1 225428521 RCKRSUISBZZZCE-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB CCCNC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225495125 PDTJYCNNRINNQF-UHFFFAOYSA-N 361.445 4.945 0 40 FJAB O=C(NCCSCc1c(Cl)cccc1Cl)NC1CCCCC1 225754828 IBWXJEJAIBVNHL-UHFFFAOYSA-N 361.338 4.859 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)cc1 225933448 JORFNXKALDVOQB-UHFFFAOYSA-N 357.453 4.679 0 40 FJAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 408620513 GTSIZBUGJBNNJU-UHFFFAOYSA-N 368.458 4.860 0 40 FJAB CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(OC(F)(F)F)cc1 1620876857 LJUYLAUESVHCEW-SJCJKPOMSA-N 357.347 4.590 0 40 FJAB CN(Cc1ccc(Br)cc1Cl)C(=O)c1c[nH]cc1C1CC1 1634830810 OTSADQSGSUCUMK-UHFFFAOYSA-N 367.674 4.580 0 40 FJAB Cc1c(C(=O)c2ccc(Cl)c(Cl)c2)cnc2cc3c(cc12)OCO3 721421 RMXHLEDDJIDKFQ-UHFFFAOYSA-N 360.196 4.810 0 40 FJAB COc1ccc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2247085 MAJGYOIADZXHGK-UHFFFAOYSA-N 372.453 4.765 0 40 FJAB Cc1ccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)cc1 2622966 DRMRTSXBFKDVDZ-UHFFFAOYSA-N 354.262 4.516 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3cccc(F)c3)ccc21 2638640 ZTCMJGNVHXEVEQ-UHFFFAOYSA-N 362.404 4.971 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1 3044759 NBKRBPZLWZCZFD-MRXNPFEDSA-N 353.425 4.788 0 40 FJAB O=C(CCC(=O)c1cccs1)OCc1cc(Cl)ccc1OC(F)F 3223138 PKZDOYBOGVXIBL-UHFFFAOYSA-N 374.792 4.709 0 40 FJAB Cc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1 3278485 JVJFOYPYXUZFHB-UHFFFAOYSA-N 350.462 4.687 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1Cl 3359555 SWHBEZJWYGENFY-AWEZNQCLSA-N 359.853 4.956 0 40 FJAB Cc1c([C@H](C)OC(=O)Nc2ccc(Cl)c(Cl)c2)sc2ncnn12 4060322 WKZIGOPXCOHSLN-QMMMGPOBSA-N 371.249 4.716 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(Cl)c1 4072138 BQLNHKNQAQIJNT-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccc(C(F)(F)F)c1 4275912 FFUICBYFZGGTEH-UHFFFAOYSA-N 367.714 4.661 0 40 FJAB Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1CC(C)C 4860860 FGLYMOWWOVKOHO-UHFFFAOYSA-N 373.453 4.617 0 40 FJAB O=C(NC1(c2cccc(F)c2)CCCC1)c1ccc(OC2CSC2)cc1 5007262 ZZSSVWIYMZPGSY-UHFFFAOYSA-N 371.477 4.519 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=S)NCc1ccccc1 5688282 QRHYBEVDKAZVHK-UHFFFAOYSA-N 368.424 4.981 0 40 FJAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 5953968 MCACUGRPWUSBFY-SECBINFHSA-N 356.702 4.600 0 40 FJAB CCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(OC)cc1 6026315 PYANUBUUTHNEKP-UHFFFAOYSA-N 364.474 4.926 0 40 FJAB COc1c(Br)cc(Cl)cc1C(=S)N1CCC(C)CC1 6272938 RVGRLHDTMYXBDE-UHFFFAOYSA-N 362.720 4.519 0 40 FJAB O=C(NC(=S)Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1 6511616 RMRGVCDIEKPKBZ-UHFFFAOYSA-N 359.665 4.774 0 40 FJAB Nn1c(SC(c2ccccc2)c2ccccc2)nnc1C1CCCCC1 6601215 SKSFKPOJYTYYRP-UHFFFAOYSA-N 364.518 4.921 0 40 FJAB CCSc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 6788108 ZWWPWDRDSPIHCW-JTQLQIEISA-N 363.533 4.803 0 40 FJAB Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)c4ccccc4)c(=O)c23)cc1 7995038 BVWPJULNVULQBT-HNNXBMFYSA-N 374.465 4.877 0 40 FJAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(Nc3ccc(F)cc3)ncc21 10156657 ZJCIQSVVEJJHFG-CYBMUJFWSA-N 367.811 4.925 0 40 FJAB O=C(CCCSc1ccc(Cl)cc1)Nc1ncnc2sccc12 10218177 LQTQDBMSVPTNKO-UHFFFAOYSA-N 363.895 4.856 0 40 FJAB Cc1nc2ccc(C(=O)N[C@H](c3ccccc3)c3cccnc3)cc2s1 12148292 UMTPNLJWNLODEH-HXUWFJFHSA-N 359.454 4.519 0 40 FJAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1F 12551788 AFJYBLGLMJTVCP-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB COc1ccccc1/C=C/c1nn2c(-c3ccc(Cl)cc3)nnc2s1 12653861 AZFMXAARLSBNLE-DHZHZOJOSA-N 368.849 4.685 0 40 FJAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Br)cc1F 12821816 OBJXFVIUBRSCTB-UHFFFAOYSA-N 369.259 4.566 0 40 FJAB Cc1cccc2cc(-c3noc(-c4ccc(C(C)(C)C)cc4)n3)c(=O)[nH]c12 13769161 HFCSJUNEKIEAKH-UHFFFAOYSA-N 359.429 4.851 0 40 FJAB O=C(Nc1ccc(Br)cc1Cl)C1(c2ccccc2)CC1 14785124 BYIRGMPVKUUMKI-UHFFFAOYSA-N 350.643 4.773 0 40 FJAB O=C(O)CCCCSc1ncc(-c2ccccc2)n1-c1ccccc1 18194404 AFPAIZSXBRGNGY-UHFFFAOYSA-N 352.459 4.886 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 20484738 PAWPRSVNLASLHG-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(C[C@@H](C)c1ccccc1)CO3 20610047 JUTAMKMAPXBSOS-OAHLLOKOSA-N 363.457 4.619 0 40 FJAB biogenic Cc1cc(Cl)ccc1Nc1nc(Nc2ccccc2)nc2c1cnn2C 21873442 VUDFVBZTRGWGBP-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1NCc1ccccc1 22072712 JDVOUPAGOTVUSP-UHFFFAOYSA-N 355.800 4.739 0 40 FJAB CCN(CC)CCN[C@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 22871029 FXRALHNHAFKMSP-XMMPIXPASA-N 350.550 4.781 0 40 FJAB COc1cc(C)ccc1OC(=O)c1cccc(OCc2csc(C)n2)c1 27450751 DUVNKNISLVKEAD-UHFFFAOYSA-N 369.442 4.567 0 40 FJAB Cc1cccc(Cn2nccc2NC(=O)c2cc(C)nc3ccc(C)cc23)c1 30527809 DTLUKGSPXKRILO-UHFFFAOYSA-N 370.456 4.657 0 40 FJAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 32889581 HLLORIGQAFODLR-KKSFZXQISA-N 368.477 4.605 0 40 FJAB Cc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCC2)cc1 35622122 FMNNTBSGIRQLER-UHFFFAOYSA-N 353.857 4.506 0 40 FJAB Cc1cccc(N2CCN(Cc3csc(Nc4ccccc4)n3)CC2)c1 40017917 ZGAVQMFEUWSZQO-UHFFFAOYSA-N 364.518 4.517 0 40 FJAB Cc1cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1Br 40097472 DMAURPDWHLNHJN-SNVBAGLBSA-N 365.193 4.564 0 40 FJAB C[C@H]1C[C@@H](C)CN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 40143065 JGWVHGOGWVGHQC-AOOOYVTPSA-N 369.690 4.702 0 40 FJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC1CCCCCCC1 48288471 YGEZIVJLAXTHJE-UHFFFAOYSA-N 362.420 4.782 0 40 FJAB c1ccc(C(c2ccccc2)c2nc3cc(-n4cnnc4)ccc3o2)cc1 57326801 WWRIKDNAEXISFV-UHFFFAOYSA-N 352.397 4.589 0 40 FJAB COc1ccc(C2=CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1 58367941 RKQNTFVUCPCSNX-UHFFFAOYSA-N 366.848 4.759 0 40 FJAB CCOC(=O)c1csc(-c2cccc(CN(C)c3ccccc3)c2)n1 61997471 OMIVGOCMRNVQDI-UHFFFAOYSA-N 352.459 4.623 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3c(C)cccc3C)o2)cc1 63890604 QWBDEDJGTVGMFU-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1-c1ccc(F)cc1 72029911 MXRPGWKLCDYAAJ-IAGOWNOFSA-N 352.434 5.000 0 40 FJAB Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)NCC1CCCC1 76091881 GIECQTUIJVEFTO-CYBMUJFWSA-N 361.486 4.808 0 40 FJAB CCN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccccc1C 102983960 GKZMVMVASLCBAR-UHFFFAOYSA-N 366.442 4.514 0 40 FJAB CO[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1Cl 206855991 JMPCZSBQNLLQCJ-HNNXBMFYSA-N 372.774 4.868 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1F 219579326 LOFBLFZRSQOLKK-LJQANCHMSA-N 373.468 4.521 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl 224893295 VOJKJFFIPYCPKR-NSHDSACASA-N 373.758 4.953 0 40 FJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 225168086 DDMFDRARKVTRED-IBGZPJMESA-N 369.505 4.698 0 40 FJAB CC(C)Oc1ccc(CNC(=S)Nc2cccc(OC(C)C)c2)cc1 225447578 FJQXEMDUBOTJRA-UHFFFAOYSA-N 358.507 4.748 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cc1Cl 225945226 AUKFLRYRAWKKNZ-UHFFFAOYSA-N 373.836 4.528 0 40 FJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 408553953 AGQSMWOXANXRFK-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409304481 RKVMRSGMWRAQRZ-LICLKQGHSA-N 371.845 4.568 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)C2CCCCC2)N1c1cccc(F)c1 1615153509 DOSGYTHGGINWTL-PMACEKPBSA-N 358.501 4.754 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1 682496 KHNJAFLDHXOKJV-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc3ccccc23)CC1 2647394 NMRBSONSDSELKA-UHFFFAOYSA-N 364.876 4.764 0 40 FJAB Cc1cccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1 2887546 NVFOKGZMJXGRNT-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB O=C(CSc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 4088983 JVRMMRXXEOGCSQ-UHFFFAOYSA-N 361.264 4.661 0 40 FJAB CC(=O)O[C@@H](C(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1 4558928 ICZPEYVZKDYYIW-HSZRJFAPSA-N 371.436 4.754 0 40 FJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2C/C=C\c2ccccc2)CC1=O 4910702 MSGNJTAUHFXPPD-ADYPVZHUSA-N 373.500 4.864 0 40 FJAB C[C@H]1CCCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1 4980700 COVDMNDCPAJSKI-HNNXBMFYSA-N 364.468 4.651 0 40 FJAB COc1c(Cl)cc(Cl)cc1/C=C/c1cc(C(F)(F)F)nc(O)n1 5092742 RVESPVADZIVIJG-NSCUHMNNSA-N 365.138 4.687 0 40 FJAB COc1ccc([C@H](CCC(C)C)CCN2C(=O)c3ccccc3C2=O)cc1 5499969 CIKSQKJCPJAUMP-GOSISDBHSA-N 365.473 4.901 0 40 FJAB Cc1ccc(C(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 5575315 QHYDOFPCAYXGRO-UHFFFAOYSA-N 373.481 4.988 0 40 FJAB CC(C)n1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544600 NUFPWTHKZHSFHS-CQSZACIVSA-N 353.853 4.791 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)noc1C 7986097 UABAMDFLZLRSRH-UHFFFAOYSA-N 370.371 4.670 0 40 FJAB Cc1ccc(SCc2cccc(C(=O)/N=c3/sccn3C)c2)c(C)c1 7988267 BNFDFQYPMCGLKI-QZQOTICOSA-N 368.527 4.737 0 40 FJAB CCOc1cc2c(cc1CNCc1ccc(C(F)(F)F)cc1)O[C@H](C)C2 8402986 QKINWPVWWBGEGI-CYBMUJFWSA-N 365.395 4.717 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 8707523 SHMPLNCGIRPHPC-UHFFFAOYSA-N 365.502 4.565 0 40 FJAB CSc1ncccc1C(=O)Nc1nc2c(C(F)(F)F)cccc2s1 12599493 UILSKEJJQQACFR-UHFFFAOYSA-N 369.393 4.684 0 40 FJAB C[C@H]1CCN(C(=O)c2cccc(Br)c2)c2ccccc2S1 12761843 DUDQLVLQMCLJMO-LBPRGKRZSA-N 362.292 4.980 0 40 FJAB O=C(c1cc(Cl)ccc1F)N1CCC(CCc2ccc(O)cc2)CC1 12933020 LYYLNORXPFABED-UHFFFAOYSA-N 361.844 4.670 0 40 FJAB Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 15227520 RFMMXMZQQPYRCD-CPSFFCFKSA-N 366.273 4.540 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1 19717243 OMDCKPSZKIZBTM-UHFFFAOYSA-N 368.506 4.640 0 40 FJAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1 20041285 LFOZVVSSDNNMES-UHFFFAOYSA-N 354.302 4.885 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 20896750 WJHDZWLRYCWZRZ-UHFFFAOYSA-N 356.809 4.954 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cccc3ccccc23)cc1C 22540772 XXSAMXHCZLZUAA-KRWDZBQOSA-N 360.457 4.581 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)C1(C)C 24692365 CYELLZLMDCNBMP-MDZRGWNJSA-N 352.478 4.772 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2nc(Cl)ccc2Cl)C2CC2)o1 27277719 YKROSUJHYTWABW-GXFFZTMASA-N 365.260 4.910 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCC[C@H](C)CC2)c2ccccc2)cc1 27526046 SIJMBMAUUQPXSA-GOSISDBHSA-N 364.489 4.993 0 40 FJAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccccn3)o2)cc1 28230625 RSWDVMFJYRMVHX-UHFFFAOYSA-N 350.418 4.803 0 40 FJAB Cc1ccc2c(CC(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)coc2c1C 29885220 FCATXAVBVDYQRH-IFXJQAMLSA-N 351.446 4.967 0 40 FJAB c1ccc2cc(Nc3ccc(OCCCN4CCOCC4)cc3)ccc2c1 31623500 KOCPYERCXURQFX-UHFFFAOYSA-N 362.473 4.685 0 40 FJAB CCCC[C@H](CC)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl 32611658 ZOXVIXPSUHPSEE-ZDUSSCGKSA-N 351.853 4.879 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1cc2occc2n1Cc1ccccc1F 36358126 HZCXCBMFGOQICN-UHFFFAOYSA-N 369.783 4.722 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1cccc(F)c1 39987624 WGJDDQXQXRNNKW-UHFFFAOYSA-N 371.887 4.973 0 40 FJAB COc1ccc(-c2nnc(S[C@@H](C)CCc3ccccc3)o2)cc1OC 48354574 XBGKTNOMPXQHAW-AWEZNQCLSA-N 370.474 4.867 0 40 FJAB CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215614 KJXMQVPOIUMVRT-SFHVURJKSA-N 359.514 4.923 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCCC1 72216012 DIXIYAKTOLSJQS-HXUWFJFHSA-N 365.477 4.546 0 40 FJAB CCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 72350244 BTVVVSKNMTUODX-OAQYLSRUSA-N 372.516 4.789 0 40 FJAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 96005879 VRVPCTJFOMDVPF-QWQRMKEZSA-N 365.420 4.680 0 40 FJAB CCCCN(C)C(=O)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 96037927 KWTOBFVMYAXRRH-UHFFFAOYSA-N 364.493 4.790 0 40 FJAB CO[C@@H]1CCCN(c2ccc(NC(=O)Nc3ccccc3Cl)cc2)C1 96122502 QYGHYPKEXPBLOW-MRXNPFEDSA-N 359.857 4.599 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 219069087 OBYOVNKPXKHQQQ-IBGZPJMESA-N 369.505 4.607 0 40 FJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1 219282250 RCKJDYLEFFBBHS-LJQANCHMSA-N 355.478 4.521 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223377382 LPMVPCZGLRAJSH-INIZCTEOSA-N 355.478 4.935 0 40 FJAB Cc1ccc(SCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225286950 KHUIQGMIPBFNHA-UHFFFAOYSA-N 360.548 4.861 0 40 FJAB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3)C[C@@H]21 227486127 FOIDJJULTXQNDG-RXVVDRJESA-N 362.454 4.999 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(C)cc3)sc1CC2 409050933 DSSWBTWSDOJTLS-UHFFFAOYSA-N 364.470 4.786 0 40 FJAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1ccccc1 915627 RFOQOIWJKXCBPO-UHFFFAOYSA-N 350.487 4.569 0 40 FJAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(C(F)(F)F)cc1 1066318 OGKSNRFUAYHGNR-NTEUORMPSA-N 351.711 4.703 0 40 FJAB Cc1cc2nc(-c3ccc(=O)[nH]c3)n(Cc3ccc(Cl)cc3)c2cc1C 3050968 FPQFYFLXVBWWKB-UHFFFAOYSA-N 363.848 4.710 0 40 FJAB Cc1cc(O[C@@H]2OCCO[C@@H]2Oc2ccc(Cl)cc2C)ccc1Cl 3187401 AZPWQBPPTIVSPI-ZWKOTPCHSA-N 369.244 4.767 0 40 FJAB COc1ccc(-c2nc(NC(=O)CCOc3ccccc3)sc2C)cc1 3276561 MNIYYNKNOBFUQF-UHFFFAOYSA-N 368.458 4.535 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1c(-c2ccccc2)noc1C 3432059 RBWSCZVWHXVKDR-UHFFFAOYSA-N 356.809 4.873 0 40 FJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1nc2ccccc2s1 4071186 DLHONIBSAQFXCR-UHFFFAOYSA-N 363.467 4.771 0 40 FJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 4078502 MBVHKKVMLDCWMK-KRWDZBQOSA-N 357.251 4.537 0 40 FJAB C[C@H]1CN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 4411229 URSAPVYAZIFTPK-GIVPXCGWSA-N 355.522 4.790 0 40 FJAB Cc1ccc(C(=O)Oc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1 4599715 HQAXXEYGGYHTPE-UHFFFAOYSA-N 353.487 4.622 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)Cc2ccccc2)c1 4659935 LQTDCZDCWQJNFD-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB COc1cc(SC)ccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 4731622 BOOHYZLLYDRDJC-UHFFFAOYSA-N 374.893 4.524 0 40 FJAB biogenic CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1nc(C)cs1 4849442 QCEHRBRWYBBQMY-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1 4877652 RCHNNRJIGPLKOO-YJBOKZPZSA-N 373.250 4.527 0 40 FJAB CCOc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1 4902593 OPWKDWYUXFYAHH-UHFFFAOYSA-N 360.413 4.618 0 40 FJAB O=C(Cc1ccccc1)OCc1ccc(-c2ccc(Br)cc2)o1 5177233 SXFVNWIIUANUDE-UHFFFAOYSA-N 371.230 4.995 0 40 FJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 5430296 PACMCTMYBGVDPV-UHFFFAOYSA-N 371.893 4.517 0 40 FJAB O=c1cc(-c2cccc(OCc3ccccc3)c2)[nH]c2cc3c(cc12)OCO3 5582163 DJGZUHVFQISGQA-UHFFFAOYSA-N 371.392 4.503 0 40 FJAB Cc1ccc(CSc2nc3nc(C)c(Br)cc3[nH]2)cc1C 6205616 VQRFTWWNVNJAGO-UHFFFAOYSA-N 362.296 4.938 0 40 FJAB CC(=O)Nc1cccc(Oc2ncnc3sc4c(c23)CCCCC4)c1 6626606 XIQDXKGDNCNFGK-UHFFFAOYSA-N 353.447 4.711 0 40 FJAB CCCCOc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1OC 7814069 GXBYEMOOJOWOPI-QGZVFWFLSA-N 371.502 4.841 0 40 FJAB COCc1c(C(=O)NCc2ccc(Cl)cc2)sc2cccc(F)c12 8060144 HZRPXUQPQIEJIS-UHFFFAOYSA-N 363.841 4.770 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 10323157 WKHDCRRBRFLTQC-UHFFFAOYSA-N 365.792 4.719 0 40 FJAB O=C(Nc1ccc(NC(=O)NC2CCCCC2)cc1)NC1CCCCC1 12289837 DZPWWTIJKMXPDY-UHFFFAOYSA-N 358.486 4.595 0 40 FJAB CCCCc1ccc(CC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12579636 FKJUATDTCUCZHG-GOSISDBHSA-N 361.489 4.635 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 12874904 VULUVJOJUGBPRF-NRFANRHFSA-N 369.461 4.734 0 40 FJAB COC(=O)c1ccccc1/C(Cl)=C(\Cl)c1ccccc1C(=O)OC 13404226 AKZAADMIHQBAJI-FOCLMDBBSA-N 365.212 4.563 0 40 FJAB O=C(NCCCN1CCc2ccccc21)c1ccc(-c2ccccc2)cc1 13649148 WNVDNANUMMVIPP-UHFFFAOYSA-N 356.469 4.536 0 40 FJAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1cccs1 16091540 FOIIXUWBIWUKTC-CYBMUJFWSA-N 362.303 4.581 0 40 FJAB CCOc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 18194520 RLYIJYRAIOLUAT-UHFFFAOYSA-N 360.413 4.960 0 40 FJAB COC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OC)c1-c1ccc(F)cc1 22058045 UWVBURCRJLZZKT-UHFFFAOYSA-N 373.424 4.708 0 40 FJAB in-vitro COCc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 24177148 XFSPGRBOMRHGTP-UHFFFAOYSA-N 359.469 4.785 0 40 FJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(-n2cccn2)c1 32925847 VYIVJCFPZDBMEC-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2NCCCCCCO 33703531 DPRSBWGNESQTLG-QCCYXRBGSA-N 371.565 4.759 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(Cl)c2)cc1 35324433 NWYJRVNIIHWUJC-MRXNPFEDSA-N 353.809 4.658 0 40 FJAB COc1cc(CNC(=O)c2ccc(Cl)s2)ccc1OC1CCCC1 40121349 LSXYWUCPTWVGOE-UHFFFAOYSA-N 365.882 4.662 0 40 FJAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 40152250 CQSALNXRUBXMGF-UHFFFAOYSA-N 365.452 4.575 0 40 FJAB CCN(C(=O)CSc1nc2ccc(Cl)cc2o1)c1ccccc1C 48234475 NYZCNMVRXKVONJ-UHFFFAOYSA-N 360.866 4.935 0 40 FJAB O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412172 VVTORZPVKCRXNW-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)C1(C)C 58427196 YLHJKDHYWQRIBI-PKOBYXMFSA-N 363.461 4.511 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C(N)=S)cc3)ccc21 65487780 FWKFCCZHFCFQIV-UHFFFAOYSA-N 373.481 4.701 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 68776677 SOQFMHXIAYAJEC-LIRRHRJNSA-N 356.466 4.568 0 40 FJAB O=C(NCc1ccc(Cl)cc1)N(CCc1cccs1)Cc1ccco1 77184030 OPDUKOMVWVOHJZ-UHFFFAOYSA-N 374.893 4.949 0 40 FJAB Fc1ccc(OCc2nnc(S[C@H]3CCCc4ccccc43)o2)cc1 77896578 FEKYSJWNONDALY-KRWDZBQOSA-N 356.422 4.957 0 40 FJAB Cc1ccc(Sc2ncccc2C(=O)N(C)Cc2cscn2)cc1C 84180947 XUBRZYKWRBRWBM-UHFFFAOYSA-N 369.515 4.578 0 40 FJAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2C)C3)cc1 100425242 UJWHDFJSWJBSFF-FGZHOGPDSA-N 362.517 4.619 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)ccc1Cl 222849073 JJWHCHCLZJORIY-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222957287 BMANENVOCPVTAU-GOSISDBHSA-N 351.490 4.747 0 40 FJAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COCC(C)C 224739967 MQCNIKMLDUGBEV-UHFFFAOYSA-N 355.478 4.530 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3)o2)c1 224845306 BANJZEBKTGNWMM-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cccnc2)c1 225432538 INABPQLSDUDLRX-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB Cc1ccc(CSCCNC(=O)C2(c3ccccc3)CCCC2)cc1 225741809 RTAFKPZTHJIAHP-UHFFFAOYSA-N 353.531 4.856 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 245225104 MRLGGPAKNUZADQ-VBNZEHGJSA-N 370.415 4.581 0 40 FJAB NC(=O)/C=C\c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 352064150 VMOOVIBHRGBFJJ-RQOWECAXSA-N 361.022 4.514 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(F)cc1 408564113 XWBNPZRAKDTIPT-LNVKXUELSA-N 368.477 4.988 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CCCO[C@H]3c3ccnn3C(C)C)n2)s1 578114777 OJVJDYRTTOUZOC-CZUORRHYSA-N 358.467 4.519 0 40 FJAB C[C@H](NC(=O)c1ccc2nc(O)oc2c1)c1ccccc1Oc1ccccc1 625019952 RJYSUAWGXAQVLM-AWEZNQCLSA-N 374.396 4.817 0 40 FJAB Cc1occc1-c1cc(NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)no1 683807161 WJYXJUVVVLCJDZ-CZUORRHYSA-N 351.406 4.653 0 40 FJAB CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1cccc(Cl)c1 860583 GHTWLZYRRTXYJI-HXUWFJFHSA-N 350.805 4.732 0 40 FJAB O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccco1 974295 NHVPTMCDYIKSJZ-UHFFFAOYSA-N 350.157 4.993 0 40 FJAB Cc1ccc(C)c2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc12 1342974 UQQSXWIPAAZKHH-NSHDSACASA-N 353.491 4.521 0 40 FJAB CCCOC(=O)[C@@H](CC)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 1778566 QHCVRBBNMSYDRT-WCQYABFASA-N 364.536 4.640 0 40 FJAB O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 3258996 LEUZHDBNCNAOOO-UHFFFAOYSA-N 350.801 4.928 0 40 FJAB CCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C 3300842 AIIDFWVDDLHSJP-UHFFFAOYSA-N 373.412 4.513 0 40 FJAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1 4162567 LEKUVQDMZWNLSI-UHFFFAOYSA-N 350.418 4.978 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4699752 LDVCMDJHGCZEQS-HILYYZTDSA-N 361.913 4.748 0 40 FJAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1nc(C)cs1 4849421 DRLDGFVYJOGCON-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5352137 AXSNEMIXMKBHOB-UHFFFAOYSA-N 369.461 4.602 0 40 FJAB CCCCc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 5454594 REIJWBLKQXILGK-UHFFFAOYSA-N 374.897 4.685 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1Cl 6152731 PKLLYWQFIDZADL-NSHDSACASA-N 368.658 4.817 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OC 6439490 QDXAOUZYKVRUPU-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB CC(C)(C)c1ccccc1NS(=O)(=O)c1cccc(Br)c1 7056503 LOISZLSLYUSRHK-UHFFFAOYSA-N 368.296 4.547 0 40 FJAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 7604029 CANWIEBRDVMBJQ-UHFFFAOYSA-N 361.608 4.933 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 7687957 DDOGEKSHCOUDEI-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB CCn1c(C)cc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c1C 7845463 VYNLZQCGFTTXPO-UHFFFAOYSA-N 353.491 4.738 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccccc3[C@H](C)CC)CC2=O)cc1 7929126 CKZREKVUAVNJHF-AEFFLSMTSA-N 365.473 4.721 0 40 FJAB COc1ccc2c(-c3ccccc3)cc(S[C@H]3C[C@H](C)OC3=O)nc2c1 8191311 GSQCJFOGAVTDSK-DJJJIMSYSA-N 365.454 4.707 0 40 FJAB C[C@H](O)CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8497851 KYZUSUPIICSWNS-HNNXBMFYSA-N 355.865 4.543 0 40 FJAB CCc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 9141400 ZQJMYWPPFVXUMQ-UHFFFAOYSA-N 356.429 4.544 0 40 FJAB O=C(Nc1cccc(F)c1)c1csc2nc(-c3ccc(F)cc3)cn12 11902583 DABRXLVXJAIMLO-UHFFFAOYSA-N 355.369 4.593 0 40 FJAB Cc1c(-c2csc(Cc3nnc4n3CCCCC4)n2)oc2ccccc12 12681784 BSKCXZVHJRNCOJ-UHFFFAOYSA-N 364.474 4.773 0 40 FJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)cc2)c1 12733240 VVSMJQRUYUTFMG-UBIUBJKMSA-N 371.864 4.734 0 40 FJAB Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 12979071 ZRBYBXULQLSGRI-IBGZPJMESA-N 357.885 4.607 0 40 FJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Br)o2)cc1 14268888 CIKRICYFBYTPKK-GFCCVEGCSA-N 363.255 4.673 0 40 FJAB Cc1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 14850238 JTRXXDZUWTWGKM-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Brc1nc2c(Br)ccc(Br)c2s1 14985060 IUMVKIBMXFBIEM-UHFFFAOYSA-N 371.879 4.584 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)c2cc(Cl)ccc2o1 16806665 YJMOHXJXAIZBSV-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1Cl 20039097 YFWDCTGBSDYYLG-JTQLQIEISA-N 358.652 4.731 0 40 FJAB CC1CCN(Cc2csc(NC(=O)c3cccc4ccccc34)n2)CC1 22324841 WGPXEHZXBLIBHZ-UHFFFAOYSA-N 365.502 4.781 0 40 FJAB CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220563 NMGLLLMYBLLZQZ-QGZVFWFLSA-N 372.896 4.589 0 40 FJAB Cc1ccc(-n2cnnc2CCn2c3c(c4ccccc42)CCCC3)cc1 28297165 WMDIIJWCIAPVOH-UHFFFAOYSA-N 356.473 4.652 0 40 FJAB CC1CCN([C@@H](CNC(=O)c2cc3ccccc3o2)c2cccs2)CC1 33028228 VGTYQRRLOORCDS-KRWDZBQOSA-N 368.502 4.697 0 40 FJAB FC(F)(F)c1ccc(Cl)c(-c2nn3c(-c4ccco4)nnc3s2)c1 36353702 YQXQKECCVOCWQZ-UHFFFAOYSA-N 370.743 4.785 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1OC 44900360 CLMXHWMRJYJQNI-GOSISDBHSA-N 363.910 4.878 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 44937000 SQRSQNPRJHIWRX-QFIPXVFZSA-N 361.489 4.757 0 40 FJAB CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45889395 TXRMPUHRYMRMQR-UHFFFAOYSA-N 369.490 4.927 0 40 FJAB C[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1 57322912 WVFGTSUWCWKEHA-INIZCTEOSA-N 364.420 4.907 0 40 FJAB CC(C)(C)OC(=O)N1CCC(CN2CCC[C@@H]2c2ccc(F)cc2)CC1 70021873 ZIMWGAHRCXWBFY-LJQANCHMSA-N 362.489 4.610 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(F)cc2Br)cc1F 71325913 QEAXHKUQFRJQGM-UHFFFAOYSA-N 373.222 4.545 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358001 BUMBNEXIJWZPFG-OAQYLSRUSA-N 352.453 4.665 0 40 FJAB Clc1ccccc1CN1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 72375113 JLLTYITXWHPEQA-GOSISDBHSA-N 365.868 4.606 0 40 FJAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cc2ccccc2o1 90610553 DCHWKEGKIHOTMS-UHFFFAOYSA-N 367.451 4.717 0 40 FJAB Cc1ccnc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)c1 95474397 DBIDEVQNVUXFAG-KRWDZBQOSA-N 353.853 4.658 0 40 FJAB CCCCCc1cc(C[C@@H](O)CCC)cc(-n2nc3ccccc3n2)c1 95931569 KNQFGKYCUMPAHP-FQEVSTJZSA-N 351.494 4.857 0 40 FJAB Cn1c(C(=O)NC2CCCCCC2)cc2c1c1ccccc1n2CC1CC1 96037426 UWDFJMQFYIGZGN-UHFFFAOYSA-N 363.505 4.996 0 40 FJAB O=C(c1ccsc1)N1CC[C@H](c2ccn(CC3CC3)n2)c2ccccc21 96087172 UMVBPXVJJIXANN-KRWDZBQOSA-N 363.486 4.537 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C(F)(F)F)c1 105675573 RHDJCPUYVWOFHR-ZIBATOQPSA-N 371.403 4.610 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292192 PNDQNHMHBRIURA-RDTXWAMCSA-N 373.880 4.834 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1Cl 222630847 FXOAJDOQUYHCHN-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223049820 XIJPNGSYXFKQHU-INIZCTEOSA-N 369.461 4.701 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccc(C(C)(C)C)cc1 224177739 GCCOFWZXEJNAOV-UHFFFAOYSA-N 369.505 4.958 0 40 FJAB COc1ccc(C(=O)NCc2ccccc2)cc1CSc1ccccc1 224321732 QCEJLDLMECORKU-UHFFFAOYSA-N 363.482 4.918 0 40 FJAB COC(=O)c1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1C 225351348 ZPIPDAXNCQOWQQ-UHFFFAOYSA-N 366.244 4.660 0 40 FJAB Cc1cccc(CCCNC(=S)Nc2cccc(Br)c2)c1 225390978 DZFFKHTVQHLYOA-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(C(=O)NC2CC2)c1 225480471 DSHQHRXNMIRGJR-UHFFFAOYSA-N 359.429 4.697 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225829401 FZICBKKTQMKNQS-MOPGFXCFSA-N 359.441 4.568 0 40 FJAB Cc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)c(Cl)c1 226271770 AMXVVNKGPNYVBZ-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Oc1ccc(C2CCCCC2)cc1 226857481 PSFXFWASZXBZBZ-UHFFFAOYSA-N 374.458 4.509 0 40 FJAB Cc1cccc(Nc2cncc(C3CCN(CC4CCCCC4)CC3)n2)n1 257238983 HNKMRTREOQPBHA-UHFFFAOYSA-N 365.525 4.683 0 40 FJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1 408628042 PVERSZRILZXCIU-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB Cc1ccccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675879 LMGNWWQMXYHTLX-UHFFFAOYSA-N 372.399 4.875 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)cnc2cc(-c3ccc(Cl)cc3)nn12 409227640 ZSQTXIARPWRLDL-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB Cc1ccc2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2n1 589439100 NLSNGSUPDCRJGY-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615117202 ANKVFWSZOGXXNK-QHCPKHFHSA-N 366.480 4.798 0 40 FJAB CCOc1cc(-c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)ccc1OC 1772491210 NFCVDLKINZWSCH-NSHDSACASA-N 370.474 4.596 0 40 FJAB Cc1c(C(=O)NC2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1 669171 VTUSUBZXGJBSBI-UHFFFAOYSA-N 359.473 4.910 0 40 FJAB O=C(NCc1ccccc1)N[C@H]1c2ccccc2CSc2ccccc21 702015 UOTAKPNQGXSUSO-NRFANRHFSA-N 360.482 4.881 0 40 FJAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952271 VFWWPLZTJBHPCO-CABCVRRESA-N 366.413 4.569 0 40 FJAB biogenic CCOc1ccc(-c2nc(NC(=O)Cc3ccccc3F)sc2C)cc1 2639554 AZQGGDQVUNURMJ-UHFFFAOYSA-N 370.449 4.838 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Br)o1 3552125 JRWWFKBUWQEYQC-UHFFFAOYSA-N 352.228 4.601 0 40 FJAB O=C(NCCc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 3908506 SUHIJQZZKKZCOE-UHFFFAOYSA-N 361.228 4.621 0 40 FJAB COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccc(C)o3)C[C@@H]21 4715929 GQGMLAAIDFTDNG-KRWDZBQOSA-N 352.434 4.801 0 40 FJAB Clc1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 5391888 LIYUOZLBGHLGPK-UHFFFAOYSA-N 370.821 4.732 0 40 FJAB CCOc1cccc2c1Oc1nc(-c3ccccc3OC)nc(S)c1C2 6000624 JULYMOVCQYTQCM-UHFFFAOYSA-N 366.442 4.536 0 40 FJAB COc1cc(C)c(NC(=O)c2oc3ccc(Cl)cc3c2C)cc1OC 6540204 NYJSULATEZIFOW-UHFFFAOYSA-N 359.809 4.973 0 40 FJAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(C)cc32)cc1 6600831 OBFUEBWHCKSZBX-UHFFFAOYSA-N 355.441 4.828 0 40 FJAB CCCCOc1ccc(/C=C2/C(=O)N(CC)c3ccccc32)cc1OC 6651638 JBBWFAXSHRHXGH-NBVRZTHBSA-N 351.446 4.781 0 40 FJAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc2ccccc12 6911869 FJRTVYHNFYYXPC-OAHLLOKOSA-N 374.469 4.540 0 40 FJAB O=C(O)/C(=C/c1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603199 ZMKLIWQEBYTYSS-UVTDQMKNSA-N 358.806 4.608 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2ccccc2F)cc1 7778027 RVPXZQNPOICOSC-UHFFFAOYSA-N 362.448 4.555 0 40 FJAB COc1ccccc1-c1nnc(SCCOc2ccc(Cl)cc2)o1 8072803 NZSLWWOUPFXFRX-UHFFFAOYSA-N 362.838 4.570 0 40 FJAB O=C(c1cc2ccccc2o1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8316521 IKBFRCAYVCIMNL-UHFFFAOYSA-N 363.413 4.747 0 40 FJAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 9064045 CLTCTLFCQLSPJQ-CYBMUJFWSA-N 356.491 4.644 0 40 FJAB COc1ccc2cc(CNC(=O)N[C@H](C)c3ccc(F)cc3F)ccc2c1 10281307 ABNWXLDKXIYUTK-CYBMUJFWSA-N 370.399 4.687 0 40 FJAB CCn1cc(CC(=O)Nc2[nH]nc(-c3cccs3)c2C)c2ccccc21 12147453 BEZVOHAQDOYNRC-UHFFFAOYSA-N 364.474 4.602 0 40 FJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Cl)cc1 12700601 KMFJVQFJXXDRRT-UHFFFAOYSA-N 369.877 4.773 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1OC 12758293 MNIAOFBUJPJLSV-UHFFFAOYSA-N 368.458 4.608 0 40 FJAB O=C(/C=C/c1cccc2ccccc12)OCc1cc(F)cc2c1OCOC2 12928543 SHBPNWHQPBICQZ-CMDGGOBGSA-N 364.372 4.602 0 40 FJAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c1 13123342 VHMRXAOCALLYHW-CCEZHUSRSA-N 352.437 4.924 0 40 FJAB COc1ccc(OC)c(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1 13726694 LZELOCMRFUJDIZ-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB O=C1C[C@H](c2cccs2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15084906 MUIPPZKKULZOGC-LLVKDONJSA-N 355.440 4.649 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1OCc1ccccc1 15967047 ORLSSBVOTUBKDA-KRWDZBQOSA-N 361.441 4.765 0 40 FJAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 20450372 QMGVWAPYZDGHAH-FQEVSTJZSA-N 371.889 4.716 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20452683 ARADLAYSKOKUOL-UXHICEINSA-N 364.533 4.670 0 40 FJAB COCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)oc2ccccc12 21363613 FUSSJCAKRZTWKS-UHFFFAOYSA-N 363.335 4.528 0 40 FJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccccc1Cl 22072418 SZJYHSUJAMEEMH-UHFFFAOYSA-N 367.836 4.608 0 40 FJAB Cc1cccc2c1N[C@@H](c1ccc(OCc3ccccc3F)cc1)NC2=O 28923732 IOORBSAVVUQBDY-OAQYLSRUSA-N 362.404 4.567 0 40 FJAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(-c2ccccc2)cc1 38754226 RZYSUHKUVRDBQE-UHFFFAOYSA-N 367.452 4.778 0 40 FJAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C(C)C)C1 57342104 QSTWWXAQDMVSOH-UHFFFAOYSA-N 353.418 4.631 0 40 FJAB Cc1ccc2cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)[nH]c2c1 58433627 FDLJDSFGGRXIDT-JOCHJYFZSA-N 355.441 4.733 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)cn2)cc1C 65456756 DZTBGZKTCJJWRX-INIZCTEOSA-N 369.465 4.522 0 40 FJAB COc1ccccc1-c1noc(Cc2nc(-c3ccc(F)cc3)cs2)n1 67246045 TYXBUFSEEAFTPF-UHFFFAOYSA-N 367.405 4.599 0 40 FJAB Cc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)c(C)c1 71978022 MUZQQFYOZJJAGR-UHFFFAOYSA-N 354.251 4.772 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213834 KHADHUDVHSNMRR-IBGZPJMESA-N 351.450 4.520 0 40 FJAB CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215728 OCCFIILAKZILJW-GOSISDBHSA-N 359.514 4.923 0 40 FJAB COc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(N)cc2Cl)c1 72229555 BPAKEHOBAPJCGE-ZDUSSCGKSA-N 373.884 4.562 0 40 FJAB Cc1c(Br)cccc1NC(=O)CCc1cccc(F)c1F 72318915 YOBJTKFBLKLSCJ-UHFFFAOYSA-N 354.194 4.607 0 40 FJAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCc1cccnc1 76176849 IDWCFHYJDFTCQB-UHFFFAOYSA-N 364.420 4.679 0 40 FJAB CC(C)N(C)c1ccc(NC(=O)N2CCS[C@H]3CCCC[C@@H]32)cc1F 84597176 HLVQLZJRZVGRLA-ROUUACIJSA-N 365.518 4.562 0 40 FJAB O=C(c1nc2ccccc2s1)N(Cc1ccoc1)Cc1cccs1 90612148 ODCJQNHCEGCBHG-UHFFFAOYSA-N 354.456 4.793 0 40 FJAB CN(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)[C@H]1/C=C\c1ccccc1 104280428 LDNPWLLXLIEPKG-GABPYWAHSA-N 354.453 4.620 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218982082 MKECHFMWDSUEEE-UHFFFAOYSA-N 359.425 4.959 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cccc(Cl)c2)cc1 222769696 NIJBNFUXOJNROP-LJQANCHMSA-N 361.869 4.631 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(=O)OC)c1 222927234 AZPNLKZMBHLZBX-IBGZPJMESA-N 369.461 4.567 0 40 FJAB COCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 224398180 ONIFSQAOHDQFFP-UHFFFAOYSA-N 373.758 4.766 0 40 FJAB C[C@@H]1CN(C(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)C[C@@H](C)O1 230166968 WQYFXZAVWSDGBK-VTLGGBRFSA-N 355.865 4.516 0 40 FJAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2ccco2)CC1 306132399 LHNJGNACEVJZDI-UHFFFAOYSA-N 363.461 4.608 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC)cc2OCC)C1=O 409199045 AVCCCNXZJQXSJH-ATVHPVEESA-N 363.479 4.711 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2cc(Cl)c(OC)cc2OC)C1=O 409210718 KTUHOJXPIJOPMR-DHDCSXOGSA-N 369.870 4.584 0 40 FJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]21)c1ccccc1 409370538 SQDZOWKOWUEEFJ-DAVBRLECSA-N 369.464 4.699 0 40 FJAB C[C@H]1C[C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)c2ccccc21 573351147 OLLZJPDXVNBLKI-KSFYIVLOSA-N 357.457 4.672 0 40 FJAB O=C(Cc1cccs1)c1ccc(Br)cc1OC(F)(F)F 575362673 WRYWABKPZIYPDX-UHFFFAOYSA-N 365.170 4.835 0 40 FJAB O=C(Nc1csnc1-c1cccc(C(F)(F)F)c1)[C@@H]1CCCOCC1 577100500 RKXPGHYQSQNOKO-LLVKDONJSA-N 370.396 4.584 0 40 FJAB Cc1cccc(C(C)(C)NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 680519877 PWENACOTHDMCNC-PMACEKPBSA-N 370.468 4.589 0 40 FJAB C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C(C)(C)Oc1ccc(F)cc1 1518648539 ZJSUDCCBIZUPGU-KBPBESRZSA-N 359.416 4.657 0 40 FJAB CCCSCc1nnc2sc(-c3ccc(C(F)(F)F)cc3)nn12 1772491259 GFTOPZGSOYRVKB-UHFFFAOYSA-N 358.414 4.515 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccccc3)s2)cc1 715001 ZQNHBDJKMZLXPM-UHFFFAOYSA-N 367.474 4.667 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 999334 SVUJJAZGALFYHI-UHFFFAOYSA-N 359.425 4.552 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)s1 2696190 NYFYMZIUYZIARN-UHFFFAOYSA-N 353.472 4.536 0 40 FJAB Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1Cc1cccs1 3360293 LRUMJXCABFAKOD-OAHLLOKOSA-N 373.547 4.929 0 40 FJAB O=C(COc1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1 4075784 NUZUZRDASSAABH-UHFFFAOYSA-N 350.852 4.543 0 40 FJAB COc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 4402235 WEHVCQOZAFPSIQ-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2F)N3)C1 5274713 KBESGDBXEBSDDF-GTNSWQLSSA-N 358.482 4.892 0 40 FJAB Cc1ccc(NC(=O)Cc2cccc3ccccc23)cc1N1CCCCC1=O 5441811 JNVDBQKBFSTTMI-UHFFFAOYSA-N 372.468 4.846 0 40 FJAB CCOc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 5630879 GQSJOUHQNKYHMW-UHFFFAOYSA-N 360.409 4.792 0 40 FJAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1-c1ccccc1 5699266 GFXQBFZMYYHXBW-INIZCTEOSA-N 374.440 4.564 0 40 FJAB CCCCC[C@H](C)NC(=O)CCSCCC(=O)N[C@@H](C)CCCCC 5792635 JVSCVMQWDNRXDB-ROUUACIJSA-N 372.619 4.670 0 40 FJAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccc(Cl)cc3o2)[C@@H]1C 5938732 CEPPNJBXOSVDAR-WZRBSPASSA-N 352.887 4.514 0 40 FJAB Cc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1N 6367741 GWYRQYGWWPDQOD-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)N1N=C(Cl)C=CC1=N2 6550335 LWDCETJLZNGTJB-UHFFFAOYSA-N 365.868 4.808 0 40 FJAB O=C(COc1ccccc1Cl)N(Cc1cccc(F)c1)Cc1ccco1 6747594 SGBMNXNMUYQXRN-UHFFFAOYSA-N 373.811 4.680 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 6880549 SWIWHTZDZOEUCB-MRXNPFEDSA-N 369.461 4.784 0 40 FJAB CCOc1ccc(Cl)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 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40 FJAB CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CCOC(C)(C)C1 13553139 FGXVWGHEVQCKIM-HXUWFJFHSA-N 351.490 4.625 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 13710476 UCLXARCITYESIG-IBGZPJMESA-N 351.490 4.552 0 40 FJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCCc1cccs1 14125943 ZRTHVXYNGCYQPY-UHFFFAOYSA-N 363.482 4.737 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c2cccnc12 15840805 DPJGVLLBORUHHQ-MRXNPFEDSA-N 364.445 4.656 0 40 FJAB O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc(Cl)c(Cl)c1 17075181 XMBOVKNAPXUFCZ-UHFFFAOYSA-N 366.223 4.978 0 40 FJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)C2CCCC2)n1 19690863 UPEGXFBLQBBDJC-JOCHJYFZSA-N 366.480 4.974 0 40 FJAB Fc1ccc([C@H]2C3=C(Nc4nc5ccccc5n42)c2ccccc2OC3)cc1 20436071 CNMPURGHNJYKRJ-QFIPXVFZSA-N 369.399 4.994 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(C)=O)cc1 20455498 TYXISNHFYFIFKQ-KRWDZBQOSA-N 362.882 4.808 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 20493737 PNIYPZAQXFOHFH-AWEZNQCLSA-N 363.910 4.849 0 40 FJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 21587770 KGBHLRBARUIKNF-FQEVSTJZSA-N 367.832 4.778 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cn2c3c(cccc3c1=O)CCC2 22235277 WTWQBBKOHFCWNW-UHFFFAOYSA-N 373.239 4.507 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)NC3CCCCCC3)n2)cc1 23390868 MJDBRCQSHKXVMI-UHFFFAOYSA-N 355.482 4.632 0 40 FJAB COc1ccc(CN(C)C(=O)CCc2ccc(-c3ccccc3)o2)cc1F 23734538 GMGVHIXEDVNBIC-UHFFFAOYSA-N 367.420 4.686 0 40 FJAB CN(Cc1ccccc1NC(=O)[C@@]1(C)CC1(Cl)Cl)C1CCCCC1 26129386 SURCZKNFSWLGIQ-GOSISDBHSA-N 369.336 4.974 0 40 FJAB CCCCOc1ccccc1C(=O)N1CCC(CCN2CCCCC2)CC1 27994782 LIDWHUKCDUFCBS-UHFFFAOYSA-N 372.553 4.594 0 40 FJAB Cc1ccc(-n2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 29509346 LCYZHIOLUXUCEH-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB O=C(CCSCc1csc(-c2ccco2)n1)Nc1cccc(F)c1 31421270 OVHBOPRUYCSZSP-UHFFFAOYSA-N 362.451 4.804 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CSc2cccc3ccccc23)cc1 32692145 UAKMABAHYNIBAA-UHFFFAOYSA-N 350.443 4.529 0 40 FJAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(-c3ccccc3)n[nH]c2N1 35143197 KMRRJJXWBAIBFS-CYBMUJFWSA-N 358.228 4.858 0 40 FJAB CC[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1ccccc1 36617418 YLJPNPIPXALUNU-MRXNPFEDSA-N 361.401 4.672 0 40 FJAB O=C(NCc1ccc(Br)cc1)c1cc2cc(Cl)ccc2[nH]1 57416204 HJGQSPIJVSMCLT-UHFFFAOYSA-N 363.642 4.514 0 40 FJAB COc1ccc2cc(CN(Cc3ccc(C)o3)C3CC3)c(Cl)nc2c1 58357306 GJNKFWVBKMXSOD-UHFFFAOYSA-N 356.853 4.963 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1NCc1cccc2ccccc12 63283907 QBVRGOLOHINBHN-UHFFFAOYSA-N 360.457 4.697 0 40 FJAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CCCCC1 72215694 ZMWOCFFAENDUAQ-SFHVURJKSA-N 359.514 4.970 0 40 FJAB CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215847 PQJPSDYAWCJUQY-SFHVURJKSA-N 353.466 4.922 0 40 FJAB Cc1cc(NC(=O)CS[C@H](C)c2c(F)cccc2F)n(C(C)(C)C)n1 84101638 VFMQUHKHAYFSNM-GFCCVEGCSA-N 367.465 4.658 0 40 FJAB O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 92076443 SFOQURGHBGBDAH-QFIPXVFZSA-N 367.464 4.527 0 40 FJAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1c(F)cccc1F 96232282 IBARJPBOCGKLLO-OAHLLOKOSA-N 360.791 4.907 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717952 UADDPZKRWXDYAE-AWEZNQCLSA-N 370.880 4.629 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 113935044 WRDHKHUJCSHGTB-AWEZNQCLSA-N 363.910 4.924 0 40 FJAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118928159 GQXZPRCPDHVBKD-RRPVOMPVSA-N 362.554 4.958 0 40 FJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1Cl 215261537 YQOJHVRXXBCZIG-VIZOYTHASA-N 365.788 4.855 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 219518520 ZZVCDPWRIONMMS-XLIONFOSSA-N 367.489 4.798 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1C(C)C 223790836 REAQWCZAUNRORS-FQEVSTJZSA-N 369.505 4.779 0 40 FJAB Cc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1 224040210 VROSGUMHMFHGMK-UHFFFAOYSA-N 353.506 4.729 0 40 FJAB CCOc1ccc(CCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225623013 ABHCLHGLMBQKLY-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c2ncccc12)C1CC1 225913582 DXPFHUHSLGSHKG-OAQYLSRUSA-N 356.466 4.556 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cc2cccc(Cl)c2oc1=O 226040750 NTYGVAQWYFRFNV-UHFFFAOYSA-N 355.821 4.824 0 40 FJAB COc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(N)c3)o2)cc1Cl 226765588 PJXFETZKRIEQGU-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB C[C@H](NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12)c1ccccc1 408624119 UPLAYHVBQHISMK-KRWDZBQOSA-N 368.436 4.666 0 40 FJAB COc1cccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 408906279 FHAGAZHWEJPBOB-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB O=C(NC[C@@H]1CCCc2ccccc21)N(Cc1cccc(F)c1)C1CC1 515848588 MJOAIPMDBBRXTP-SFHVURJKSA-N 352.453 4.620 0 40 FJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H](C2CCC2)CC1 1288166131 UEGXKLQKPVUBLI-SFHVURJKSA-N 350.462 4.916 0 40 FJAB O=C1N[C@@H](c2cc3ccccc3nc2Cl)Nc2sc3c(c21)CCCC3 974589 DMBVJMKSRXIUMX-QGZVFWFLSA-N 369.877 4.683 0 40 FJAB Cc1ccccc1N1CCN(C(=S)Cc2ccc3ccccc3c2)CC1 1730977 RGBNPEYPQHQVIB-UHFFFAOYSA-N 360.526 4.840 0 40 FJAB CCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 2399429 PUQOSCKBVRPBQT-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@H](c3ccc(F)cc3)CN12 4084834 RZECRGIQWCIZHU-WMZHIEFXSA-N 368.411 4.998 0 40 FJAB biogenic COc1cc2c(OC)cccc2cc1C(=O)N1CCCc2ccc(C)cc21 4721229 IFXSRDMICQKFTL-UHFFFAOYSA-N 361.441 4.758 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@@H](C)C4)c(C)c1 5214446 GTUHIOCHOSZVKE-CQSZACIVSA-N 369.486 4.975 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1 5713616 YVPFZKVFEKYRJC-UHFFFAOYSA-N 359.640 4.840 0 40 FJAB O=C(CSc1nnc(C2CCCCC2)o1)C12CC3CC(CC(C3)C1)C2 6373951 CXSIMKIOZYALDG-UHFFFAOYSA-N 360.523 4.995 0 40 FJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COc1cccc(Cl)c1Cl 6609911 QJYULLRVYLLQAQ-SECBINFHSA-N 370.198 4.562 0 40 FJAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2O1 7749156 RJTQVYNAQGDDRG-UHFFFAOYSA-N 366.244 4.724 0 40 FJAB COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 7758771 QOMLWJILWKZPEG-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)oc2ccccc12 7985883 KJDHOBOSSOIKBU-UHFFFAOYSA-N 362.429 4.620 0 40 FJAB Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1NC(=O)c1ccco1 8127585 DOBRKEKDMOXQJK-UHFFFAOYSA-N 371.396 4.641 0 40 FJAB Cc1cc(CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)on1 8216177 PEBLNHKYSPEXFN-UHFFFAOYSA-N 350.447 4.602 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc(COc3ccccc3F)s2)cc1C 8768899 STBWBWFRMPGRGC-UHFFFAOYSA-N 372.425 4.517 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)o1 8876933 UPRGRQKZROEHAH-GWCFXTLKSA-N 374.289 4.531 0 40 FJAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063373 WHQYXSOFEMQRGC-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(O[C@H](C)CC)cc2)c(OCC)c1 9208220 BZQBJYLSKWOSML-OAHLLOKOSA-N 357.450 4.914 0 40 FJAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 9355462 NNROELGVNPDHAY-DEOSSOPVSA-N 366.464 4.966 0 40 FJAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C 9360332 IVQNNRLHKXPANQ-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3)C[C@H]21 10215564 FOIDJJULTXQNDG-WIYYLYMNSA-N 362.454 4.999 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 10366654 PEXDMRVKJHNKTO-CABCVRRESA-N 352.434 4.953 0 40 FJAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 10908307 BDDFVDUOUKICRD-UHFFFAOYSA-N 371.415 4.608 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)C1=Cc2ccccc2OC=C1 11689855 RPMVTKPABOTLRJ-UHFFFAOYSA-N 353.421 4.882 0 40 FJAB Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1C 12274579 QTETUSBZHSQNOI-UHFFFAOYSA-N 370.246 4.994 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(=O)[nH]c2ccccc12 14664139 UUXXIFCDQASRIB-UHFFFAOYSA-N 354.837 4.559 0 40 FJAB c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)n3)o2)cc1 16493654 JGQKTBMFYFPTOX-UHFFFAOYSA-N 367.368 4.516 0 40 FJAB CCCCOc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1 20807975 DJEMSYKBCKVCBN-UHFFFAOYSA-N 361.854 4.776 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)c1 27916328 ZOSSLKSQKNLANU-UHFFFAOYSA-N 371.893 4.867 0 40 FJAB CC(C)c1nnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 31891862 YAKUWYQVBVFWCP-UHFFFAOYSA-N 359.476 4.554 0 40 FJAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1cc2ccccc2o1 32090222 IWWXEBQFSFIPEY-UHFFFAOYSA-N 369.380 4.566 0 40 FJAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 32636426 LZBGRZCUNIVANL-LBPRGKRZSA-N 373.861 4.589 0 40 FJAB O=C(Nc1ccncc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 32726545 SNSWNUAWNFOUAO-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB O=C(Nc1ccccc1-c1cccs1)[C@@H]1CC(c2cccc(F)c2)=NO1 33163277 UJLRZALYVCFHSA-SFHVURJKSA-N 366.417 4.686 0 40 FJAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc4ccccc4c3)n2)c1 33748322 OKTOCPGPHQVXLY-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB C[C@H]1CCCN(Cc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)C1 40107913 TYTYBJKISNHCPL-SFHVURJKSA-N 364.489 4.520 0 40 FJAB CCCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2cc(F)ccc21 49001964 OFQXPJXFCNPOHD-UHFFFAOYSA-N 363.392 4.576 0 40 FJAB COc1ccc(Cl)cc1NC(=O)N1CCC(c2ccsc2)CC1 75157183 IRKZKKJEKKIUJH-UHFFFAOYSA-N 350.871 4.822 0 40 FJAB CC(C)N(CCc1nccs1)C(=O)c1ccc(SC(F)(F)F)cc1 89869604 LUQYZTSKGUWCOD-UHFFFAOYSA-N 374.453 4.848 0 40 FJAB Cc1ccccc1Nc1nc2sc(C(=O)NCC(F)(F)F)cc2s1 95369559 XMZJFGJCIOGDJN-UHFFFAOYSA-N 371.409 4.702 0 40 FJAB CC(C)(C)Sc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 95467105 MLZJRFUIUQDMFS-IAGOWNOFSA-N 364.555 4.838 0 40 FJAB Cc1cccc(-c2c(NC(=O)c3ccco3)oc3c(C)cccc3c2=O)c1 101192215 QWFISULCYLBHQL-UHFFFAOYSA-N 359.381 4.922 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 216277497 GDTNVMDIOZZKDY-MOPGFXCFSA-N 350.506 4.718 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)cc1 216867636 BWMNABFPYPLVMU-HOTGVXAUSA-N 351.494 4.620 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 219037242 AYQZPPRYMJCIRF-QGZVFWFLSA-N 363.457 4.711 0 40 FJAB Cc1ccnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c1 223986563 YTSPZGQYWXRXDZ-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1 224286540 FDNPETHLKBHZKF-HNNXBMFYSA-N 353.849 4.619 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)c2ccccc2O1 224346842 YKNCXQRKWLOIBM-FXAWDEMLSA-N 367.489 4.961 0 40 FJAB CCCCOCc1cc(C(=O)NCc2ccccc2Cl)ccc1OC 224434175 OBCMKLOEVLBCGD-UHFFFAOYSA-N 361.869 4.595 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 224852611 ILJNZEBLSDKZAC-UHFFFAOYSA-N 374.799 4.714 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 225331419 BGBBPGGINKYKBK-UHFFFAOYSA-N 350.462 4.618 0 40 FJAB COc1cccc(-c2nnsc2C(=O)Nc2cccc3ccccc23)c1 225765662 HKQCRUZOYUGGEC-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C)n1 225895915 GWWCFVBDMYKCDT-UHFFFAOYSA-N 350.503 4.595 0 40 FJAB COc1ccc(C(=O)Sc2nc3cc4ccccc4cc3[nH]2)c(OC)c1 409390502 DMJLFSWFYKJFDZ-UHFFFAOYSA-N 364.426 4.666 0 40 FJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccco2)o1 618255520 SFCZIKWWPLEOLA-UHFFFAOYSA-N 363.335 4.807 0 40 FJAB Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)c2c(F)cccc2F)c(C)c1 676721862 NBZMNBCJHLDMNG-UZLBHIALSA-N 355.432 4.870 0 40 FJAB CC(C)(C)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 846722 PAESBFXBNGSCDM-CQSZACIVSA-N 365.304 4.850 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)cc1 1058670 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C[C@@H](NC(=O)COc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2 6053005 JIZXOVBGBQXKPH-NXTQRVMMSA-N 363.501 4.940 0 40 FJAB CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 6747658 DZRPZCIWBOHHNR-UHFFFAOYSA-N 367.420 4.589 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2cc(F)ccc2F)cs1 7779774 JSFNDCQNXOQXGI-UHFFFAOYSA-N 364.804 4.923 0 40 FJAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1Cl 7922143 MFHMEEMFHMUNSL-ZDUSSCGKSA-N 373.909 4.890 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1ccc(-c2cn3ccsc3n2)cc1 8134587 ZZAPNOHNIXJISV-UHFFFAOYSA-N 367.861 4.897 0 40 FJAB CC1CCN([C@H](CNc2ncnc3sccc23)c2cccs2)CC1 8727558 QSKKXLXLQGYOGQ-OAHLLOKOSA-N 358.536 4.638 0 40 FJAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccc(Cl)c1 9274870 VSBIZVHRAUZNHR-UHFFFAOYSA-N 368.607 4.949 0 40 FJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503798 ILFXGDYPWHLPBL-AWEZNQCLSA-N 373.378 4.602 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 11558653 GLRCCBYPNXBOCP-UHFFFAOYSA-N 360.457 4.779 0 40 FJAB Cc1cnc(C(=O)N(c2ccc(C)c(C)c2)c2nc3ccccc3s2)cn1 12800414 GXRUHENGSYVVFN-UHFFFAOYSA-N 374.469 4.990 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCc2ccccc21 12999282 CNSAZCFIQJCYBX-BDJLRTHQSA-N 350.245 4.564 0 40 FJAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 13144241 HFQHBWBLOYKBSF-MRXNPFEDSA-N 373.431 4.715 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(F)c(F)c1 14186853 WKXDAUUIIGLXBQ-CQSZACIVSA-N 355.432 4.677 0 40 FJAB CCc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 14227660 UQWJNGXMVGGTAJ-UHFFFAOYSA-N 351.471 4.641 0 40 FJAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1C 14405580 QXHRLUJWDIGULO-UHFFFAOYSA-N 370.497 4.537 0 40 FJAB COc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)ccc3c1CO2 14819625 AEAIWNGAMDGGNB-UHFFFAOYSA-N 352.386 4.921 0 40 FJAB endogenous,in-man COc1ccc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)cc1 15084397 AZLQRCJZOVFYAV-UHFFFAOYSA-N 366.424 4.544 0 40 FJAB O=c1nc2n(c3sc4c(c13)CCCC4)[C@H](c1ccccc1)C=CS2 19898694 HJOLDRTXLZQQHI-AWEZNQCLSA-N 352.484 4.546 0 40 FJAB Cc1sc(NC(=O)c2cc(Cl)ccn2)nc1-c1ccc(F)c(F)c1 22580830 ICRPOHAFHXNZHC-UHFFFAOYSA-N 365.792 4.697 0 40 FJAB CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1C(=O)c1ccccc1 23239508 AKJRVBLMPPAEQH-UHFFFAOYSA-N 369.873 4.905 0 40 FJAB C[C@@H](c1ccc(F)cc1)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 26890512 WZOIVTZDSVWRNJ-JKSUJKDBSA-N 369.509 4.875 0 40 FJAB CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1C 27588287 WOEFKINMTOHGGK-UHFFFAOYSA-N 350.311 4.645 0 40 FJAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccoc1C 27922659 WFNARNLCRIIMMV-UHFFFAOYSA-N 359.429 4.855 0 40 FJAB CC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 31798758 FUEXIXQUMVUJFD-QHCPKHFHSA-N 364.489 4.625 0 40 FJAB FC(F)(F)c1cc(Br)c2cccc(Br)c2n1 38298382 QACMTFHCILQPLS-UHFFFAOYSA-N 354.951 4.779 0 40 FJAB CCOc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 40001131 SSLQUZTUESVBQD-LBPRGKRZSA-N 352.356 4.543 0 40 FJAB CCc1ccc(CNC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)s1 48254953 ARZNVSZFXQUGSK-UHFFFAOYSA-N 359.495 4.535 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2cc(C)nc(-c3ccccc3)n2)c1 57519776 YHXRRDWFYLWTKF-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cccc(Br)c1 59186141 SMAOEKCFTVCCDG-QPEQYQDCSA-N 368.152 4.961 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3cccc(F)c3F)o2)s1 60016752 ZJAZXBKLLPEBDX-CQSZACIVSA-N 361.417 4.722 0 40 FJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(F)c1F 60139639 FZEOAHRRUQYQCA-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB C[C@H](OC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(F)c(F)c1 62278658 QGHIXBFJLVSTBX-QMMMGPOBSA-N 368.430 4.620 0 40 FJAB O=C(CSc1nc2ccccc2n1C(F)F)NC1CCCCCCC1 71813291 CRFQDYMZUVMNCV-UHFFFAOYSA-N 367.465 4.753 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357744 PTDBSZXTELUTSN-HSZRJFAPSA-N 374.459 4.718 0 40 FJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1C[C@@H]1c1cccnc1 84374375 VCTPVQPIYOPXOL-SJORKVTESA-N 356.516 4.693 0 40 FJAB CCC[C@H](C)C(=O)NCc1ccc(Cl)c(NC(=O)[C@@H](C)CCC)c1 95432183 HSCOLEOFMSCSIO-KBPBESRZSA-N 352.906 4.767 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)C[C@@H](c2ccco2)C1 102565488 SDRBOROKOIYCSY-KZULUSFZSA-N 366.808 4.590 0 40 FJAB CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1=C(O)CC(C)(C)CC1=N2 102668157 MBXXORBYJIGLPS-INIZCTEOSA-N 354.479 4.616 0 40 FJAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccn1 102710640 WSLLKDHEPHOBCY-OAQYLSRUSA-N 361.445 4.894 0 40 FJAB COc1ccc2oc(C(=O)N3CCS[C@@H](c4ccccc4)CC3)cc2c1 206989774 KXXSHXFNFPLMFY-HXUWFJFHSA-N 367.470 4.762 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219327817 ABSPYEBVRACRHO-RBUKOAKNSA-N 371.452 4.710 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(OC)ccc1OC 222908594 CQQLTDWFTQZIAJ-IBGZPJMESA-N 371.477 4.797 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)CCc2ccc(Cl)cc2Cl)c1 224050431 MMJKBVBSERXTRR-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB CC(C)NC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225432340 QCOMAMLTYRDMCJ-UHFFFAOYSA-N 361.445 4.943 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)c(C)n1 225911127 LSQUSCQMTOMRHN-IIBYNOLFSA-N 362.514 4.883 0 40 FJAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C[C@H](C)O1 226318663 QUFCTYXBBBGDGF-KBPBESRZSA-N 356.853 4.757 0 40 FJAB Nc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl 226343877 ZMEXQQAOSNLKTG-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB CCN(CC)C(=O)c1cccc(NCCC(=O)c2cc3ccccc3o2)c1 226760088 CBDUWUCBJNKDKN-UHFFFAOYSA-N 364.445 4.600 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)S1 260781395 STSFVOACQFGUQJ-CDHQVMDDSA-N 366.534 4.978 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)c(Cl)c2)S1 260786470 XHRPQTBLTZHWLS-HPEXNQPKSA-N 364.301 4.978 0 40 FJAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccnc1Cl 408624040 WTBBQAYWDUSZJQ-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Cc1ccc(Br)cc1SCC(=O)Nc1ccc(F)cc1 938573 HVJKWHNTZPSAGC-UHFFFAOYSA-N 354.244 4.627 0 40 FJAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1 1789709 NFNCPMSHPAPZGW-UHFFFAOYSA-N 372.925 4.902 0 40 FJAB CC(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 3376872 ZDBYYTRGXBAPOZ-UHFFFAOYSA-N 370.758 4.612 0 40 FJAB Cc1cccnc1N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@@H](C)S1 4047808 KLLPLOQRRONBNA-GFCCVEGCSA-N 360.870 4.573 0 40 FJAB Cc1ccc(C)c(C2=Nn3c(C[C@H](C)c4ccccc4)nnc3SC2)c1 5883497 ABLKDIIUNGKMML-INIZCTEOSA-N 362.502 4.599 0 40 FJAB CN(C)C(=O)[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 6989778 OXBFJZZNEKGWBP-OAHLLOKOSA-N 358.652 4.855 0 40 FJAB COc1ccc2c(CC(=O)N[C@@H](CC(C)C)c3ccccc3)coc2c1 7037045 JYPWYHYRZWSMAX-FQEVSTJZSA-N 351.446 4.888 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)c2ncnc3sccc23)cc1 7272942 IWLVOMCGTNAYPZ-UHFFFAOYSA-N 360.486 4.856 0 40 FJAB Cc1cc2nc(Oc3ccc(Br)cc3)c3ccccc3n2n1 7735852 BMEWOYLBXBYDBD-UHFFFAOYSA-N 354.207 4.746 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Oc1ccccc1 7814082 UZAAVFWOJOXHJA-UHFFFAOYSA-N 356.425 4.933 0 40 FJAB CN(C)CCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 8373913 VVGSOMPACBEXHQ-UHFFFAOYSA-N 367.320 4.614 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1OCCOc1ccccc1 8391199 VCSPQKWIXGVWQK-UHFFFAOYSA-N 373.452 4.885 0 40 FJAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)(C)C)cc1 9307254 ADPGRMNIXSZHBZ-UHFFFAOYSA-N 362.473 4.586 0 40 FJAB COc1ccccc1[C@H](CCN(Cc1ccco1)C(C)=O)c1ccccc1 9530538 ZIKLZKNJXZNMSP-OAQYLSRUSA-N 363.457 4.859 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@H]1CC=CCC1 9729784 QKXJSWDDSVTPMK-LBPRGKRZSA-N 363.280 4.867 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10335787 ROCAYDIUDJUIJA-UHFFFAOYSA-N 366.505 4.911 0 40 FJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccccc1)O2)CCCC3 12321755 OYZXWERPGGXBLS-GOSISDBHSA-N 360.409 4.687 0 40 FJAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1nc2ccccc2s1 12391574 VPJAWVHLSZLFEL-UHFFFAOYSA-N 369.446 4.740 0 40 FJAB COc1cccc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)c1 12550996 QPOAQWHWXXLIMQ-CQSZACIVSA-N 352.459 4.671 0 40 FJAB Cc1csc(NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)n1 12757754 ZSEVHYKJJLIGOQ-UHFFFAOYSA-N 369.490 4.876 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 12766621 SJWZEJXWCCHUIY-NRFANRHFSA-N 363.457 4.756 0 40 FJAB CC[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 12773845 NEMPPXBLRVZWMJ-GOSISDBHSA-N 350.506 4.612 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 12922480 ZBBGICIAXYGBMS-UHFFFAOYSA-N 370.499 4.611 0 40 FJAB CC1(C)[C@@H](c2ccccc2)[N+]([O-])=C(c2ccccc2)C(c2ccccc2)=[N+]1[O-] 13764162 SYFPJEMOIBKXSD-HSZRJFAPSA-N 370.452 4.519 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)/C=C/c2ccc(OC(F)F)cc2)o1 14246658 ZJIGHPSJIJJJFC-DEWFYXROSA-N 361.388 4.676 0 40 FJAB CCCn1nc(C)c(-c2cncn2Cc2cccc(OC(C)C)c2)c1C 19654555 METSIAAIKQBPDV-UHFFFAOYSA-N 352.482 4.609 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1Cl 20040806 JRRRVTGYMHRCTA-KRWDZBQOSA-N 366.288 4.900 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(NC(C)=O)c1 20450865 RVLNPUPXNQEKOZ-HXUWFJFHSA-N 362.429 4.594 0 40 FJAB CC(C)c1nnc(S[C@@H](C)c2nnc(-c3ccccc3)o2)n1C1CC1 22133356 VXIAJIQEXSVWKM-LBPRGKRZSA-N 355.467 4.640 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1c(F)cccc1F 22237743 KLEKBGAEHQRWAQ-UHFFFAOYSA-N 359.401 4.750 0 40 FJAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cccc(Cl)c1 23126028 LDUSOOIJWJPMSM-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB Cc1ccc(C(=O)Oc2cccc(/C=C3\SC(=S)N=C3O)c2)cc1 27532456 NZKIYNIDJLYIDZ-GDNBJRDFSA-N 355.440 4.543 0 40 FJAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(-c2ccccc2)cc1 27916666 VQACPVMSGRHCBB-UHFFFAOYSA-N 371.415 4.990 0 40 FJAB Cc1ccc2c(CC(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)coc2c1C 29885218 FCATXAVBVDYQRH-LIRRHRJNSA-N 351.446 4.967 0 40 FJAB Cc1ccc(-c2nc(COc3ccc(N4CCCC4=O)cc3)cs2)cc1 30952943 UQUFSWBKZQGEEZ-UHFFFAOYSA-N 364.470 4.824 0 40 FJAB COC(=O)C(C)(C)C1(C)c2ccccc2N(C(=O)C(C)C)c2ccccc21 38337758 ZMHOOCXNFITYSV-UHFFFAOYSA-N 365.473 4.826 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(N(C)C(C)C)c(F)c2)c1 40152957 VWKZWWGHPJUCGP-INIZCTEOSA-N 357.473 4.726 0 40 FJAB CC(=O)Nc1ccc(SCc2ccc(OCC(F)(F)F)cc2)cc1 47171986 GZLIMXFHZGTKMP-UHFFFAOYSA-N 355.381 4.878 0 40 FJAB COc1ccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348932 KKVSWUGRTVSHIQ-IBGZPJMESA-N 359.473 4.532 0 40 FJAB Fc1ccc(-c2nccnc2[C@@H]2CCCN(CCc3ccccc3)C2)cc1 72358512 UMYJFGOBFSEWRI-HXUWFJFHSA-N 361.464 4.705 0 40 FJAB Cc1cccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)c1 222724828 GKNOQOUFHQKCBO-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 222895844 IWQLNOFAVDPTMY-PMACEKPBSA-N 367.489 4.825 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222977451 RMNMGATXFXQJGU-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223904761 AYKVRXYMJPKHTJ-SFHVURJKSA-N 365.395 4.796 0 40 FJAB CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225674947 JVUPNDNPUOIXAD-GOSISDBHSA-N 370.518 4.983 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1c(F)cccc1F 225678726 HQGKLFXXYBPZOR-HNNXBMFYSA-N 362.445 4.862 0 40 FJAB C[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(COc3ccc4ccc(=O)oc4c3)CCC[C@@]12C 254519295 HCHKBKRQLFXVQM-OEDOQMMHSA-N 370.489 4.775 0 40 FJAB COc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C)cc1 408553743 PJLSKYFLGNLYKO-UHFFFAOYSA-N 363.413 4.541 0 40 FJAB CCCOc1ccc(CNc2cccc(C(=O)O)c2)cc1Br 408610264 ORMMXPFNTDVUCL-UHFFFAOYSA-N 364.239 4.548 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408628256 VJLNYGCLCAAFON-UHFFFAOYSA-N 372.424 4.978 0 40 FJAB C[C@H](c1nc2ccccc2o1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 679216926 GKUZDPBUMJUJBK-NEPJUHHUSA-N 364.371 4.510 0 40 FJAB c1cc(-c2cnc3nc(C4CCN(CC5CCC5)CC4)ccc3c2)ccn1 2086894039 URCFDYZRNXCEEC-UHFFFAOYSA-N 358.489 4.671 0 40 FJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1 680962 XFIPOUNUTSSZAH-UHFFFAOYSA-N 369.273 4.519 0 40 FJAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2c1 907291 YCZXFUCYHJRARA-UHFFFAOYSA-N 351.406 4.732 0 40 FJAB O=c1c2ccccc2nc(CNc2ccccc2)n1-c1ccccc1Cl 3030916 HZDBBRQQHTULAE-UHFFFAOYSA-N 361.832 4.651 0 40 FJAB COc1ccc(CSCC(=O)Nc2ccc3ccccc3c2)cc1F 3059036 NTHPHPCMGFKIQX-UHFFFAOYSA-N 355.434 4.859 0 40 FJAB CCOc1ccc2nc(SCC(=O)N(CC)c3ccccc3)sc2c1 3245361 INPRQGUGERFTDS-UHFFFAOYSA-N 372.515 4.840 0 40 FJAB Cc1ccc(C)c(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 3310630 JSURMJZXJCJZFE-UHFFFAOYSA-N 374.819 4.684 0 40 FJAB O=C(CNc1cccc(Cl)c1)Nc1ccccc1Cc1ccccc1 3339371 JRMBGFGTWLFIFD-UHFFFAOYSA-N 350.849 4.981 0 40 FJAB CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3)s2)cc1OC 3354775 OHDXHNLCKWBRBV-UHFFFAOYSA-N 368.458 4.778 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1C 3364092 MHYCGIKRCKFJIE-UHFFFAOYSA-N 351.471 4.695 0 40 FJAB Cc1ccc2c(CC(=O)OCc3cc(Cl)cc4c3OCOC4)coc2c1 3428596 BTIVTKHLVSNYFK-UHFFFAOYSA-N 372.804 4.547 0 40 FJAB FC(F)(F)c1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 4051264 MAOLEERDCXCMKJ-UHFFFAOYSA-N 354.715 4.988 0 40 FJAB CC(C)CCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc21 5206218 YBYOGGDADQTZOK-UHFFFAOYSA-N 370.460 4.756 0 40 FJAB O=C(c1cccs1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5265206 RQPHIEJGSSNSOY-UHFFFAOYSA-N 369.446 4.739 0 40 FJAB CCc1cc2oc(=O)cc(C)c2cc1OCC(=O)c1cc2ccccc2o1 6555743 ITBCMSJODNZMEF-UHFFFAOYSA-N 362.381 4.672 0 40 FJAB Cc1nc(SCC(=O)N2CCc3ccccc32)n(C2CCCCC2)c1C 6589129 XAZBHHMJCOGGNO-UHFFFAOYSA-N 369.534 4.687 0 40 FJAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)nc2ccccc12 6862688 UPDXOMPDHGKZGJ-HNNXBMFYSA-N 365.502 4.729 0 40 FJAB O=C1CCCN1c1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 7063312 WDOCIXGQVOXPMD-UHFFFAOYSA-N 368.820 4.701 0 40 FJAB Cc1cccc(OCCCC(=O)Nc2ccc(Br)cc2F)c1 7968980 QZLFSXAJRZVTMZ-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB CC[C@H](C)Cc1c(C)sc2nc(CNc3ccc(OC)cc3)[nH]c(=O)c12 9118743 NLAZMPVDLHMKJC-LBPRGKRZSA-N 371.506 4.502 0 40 FJAB CSc1nsc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 9146296 ZQYAMNSUVHAPAB-OAHLLOKOSA-N 358.513 4.976 0 40 FJAB O=C(Nc1ccc(F)cc1F)N(Cc1c(F)cccc1Cl)C1CC1 12767431 VZBILWJVRBWLFI-UHFFFAOYSA-N 354.759 4.954 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3cc(F)cc(F)c3)c2)cs1 12934245 UQQIDHLPDQLEGN-UHFFFAOYSA-N 360.385 4.561 0 40 FJAB COc1c(Cl)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl 14258539 KTHDSCOLVNIASM-UHFFFAOYSA-N 354.277 4.701 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)cc1 16339275 XONUZQHUCVVROD-SFHVURJKSA-N 369.852 4.736 0 40 FJAB Cc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)n1 19236176 KWZXTIGVCKQUBD-UHFFFAOYSA-N 372.419 4.552 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1 20489115 UCNKTYAQENBNCL-CQSZACIVSA-N 363.910 4.849 0 40 FJAB COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)cc1Cl 22107375 ITAYADLKRQMDPZ-LHSJRXKWSA-N 371.864 4.820 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccc(C)cc1 22509371 NKDNBDUPTAGTKD-SFHVURJKSA-N 363.910 4.714 0 40 FJAB CCCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 23573126 AFVBOGRODOGVLQ-IBGZPJMESA-N 350.462 4.615 0 40 FJAB CCCCCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1 25009873 LQRHMLPZVWFWFU-UHFFFAOYSA-N 352.356 4.791 0 40 FJAB Clc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)co2)cc1 32385171 ULTKMKWTDUWUBL-UHFFFAOYSA-N 359.794 4.930 0 40 FJAB Cc1cc(C)c2nc3sc(C(=O)N4CCCCCC4)c(N)c3cc2c1 35289643 FJGMWIWUPATPIA-UHFFFAOYSA-N 353.491 4.665 0 40 FJAB Cc1nc(-c2ccc(CC(=O)NCCCOC3CCCCC3)cc2)cs1 40079658 LCNATBXAQAVANQ-UHFFFAOYSA-N 372.534 4.517 0 40 FJAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41095286 UAAFSZQLAUDXOC-WPRPVWTQSA-N 356.702 4.504 0 40 FJAB [O-][n+]1ccccc1SCc1csc(-c2ccc(C(F)(F)F)cc2)n1 48234465 KEQOIUNTSUNLGM-UHFFFAOYSA-N 368.405 4.755 0 40 FJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1cccc(Cl)c1 58315359 YHXBSZXGJIVCTI-UHFFFAOYSA-N 355.825 4.668 0 40 FJAB CC(C)(C)OC(=O)N1[C@H](CCCCOCc2ccccc2)COC1(C)C 85223601 LCLONYUYWBDMKD-GOSISDBHSA-N 363.498 4.746 0 40 FJAB Clc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193790 AWHSUMMWZXMHEJ-UHFFFAOYSA-N 352.806 4.919 0 40 FJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1C 100648075 HHCOFGUPYPPBJL-DLVCFXQMSA-N 361.441 4.797 0 40 FJAB O=c1[nH]c2c(s1)[C@@H](c1c[nH]c3ccccc13)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101174885 AASRQRDVFMNPRX-JESKECONSA-N 354.500 4.570 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OC(C)C)CC(C)(C)O2 219744940 AENCEAWPXNAGGY-SFHVURJKSA-N 369.461 4.515 0 40 FJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cccc2ccccc12 222579909 LFOPOQDYYTZKIV-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 222853187 BXJDFOADAJEPDK-VQTJNVASSA-N 368.550 4.769 0 40 FJAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225059613 IPOIQZCZHMGYOZ-UHFFFAOYSA-N 353.487 4.980 0 40 FJAB CCc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 225718540 WLNLQBMNIXMSCV-KRWDZBQOSA-N 358.507 4.704 0 40 FJAB Cc1ccc(CSCC(=O)NCCSCc2cccc(C)c2)cc1 408925251 LKBMCIUNEPLMBE-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB Cc1cccc(Cn2cc(/C=C3/SC(=O)N(C)C3=O)c3ccccc32)c1 408995848 BOEKSGBLGIUOGV-YBFXNURJSA-N 362.454 4.664 0 40 FJAB CCc1ccc(Br)c(NC(=O)c2cc(-c3ccccc3)no2)c1 1537203973 ZBHVBTWWTIXXBL-UHFFFAOYSA-N 371.234 4.919 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1 1664197991 FETSSSOXOOBRFU-HXUWFJFHSA-N 355.503 4.726 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C)c1 683234 NRAKDKOUOMUVLG-UHFFFAOYSA-N 374.440 4.898 0 40 FJAB COc1ccc2ccccc2c1[C@H]1NC(=O)c2c(sc3c2CCCC3)N1 989573 GZLVBTLLIWIHNR-IBGZPJMESA-N 364.470 4.643 0 40 FJAB CCc1cccc([C@@H](C)CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1 1624272 QSMIRHYSRGDBOV-AWEZNQCLSA-N 364.445 4.654 0 40 FJAB ClC1(Br)[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Br 2243891 SFVAUXRMMFFMJV-RMJMHHOKSA-N 362.920 4.712 0 40 FJAB CC[C@H]1CCCCN1C(=O)COC(=O)c1sc2ccccc2c1Cl 3244714 ARVJMZCIWQXQPM-LBPRGKRZSA-N 365.882 4.503 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 3268749 KWEIDEKYTDJTPF-UHFFFAOYSA-N 360.413 4.534 0 40 FJAB aggregator COc1cccc(NC(=O)[C@H](NCC2CCCCC2)c2ccccc2)c1 3332935 FWOGFHIPUNTMEB-OAQYLSRUSA-N 352.478 4.545 0 40 FJAB C[C@H](Oc1ccccc1-c1ccccc1)C(=O)N1CCc2ccccc2C1 3454192 KAYHGZQDGXLWGK-SFHVURJKSA-N 357.453 4.706 0 40 FJAB CN(C)C(=O)c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1 3455987 LLJJRVRFNFFTIC-UHFFFAOYSA-N 374.469 4.804 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(OC)cc3)ccc21 4600247 TZAKEKXJLXVXPW-UHFFFAOYSA-N 374.440 4.841 0 40 FJAB aggregator CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 5866716 NMLDDLUEUDDFSX-UHFFFAOYSA-N 361.913 4.830 0 40 FJAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl 7377517 YQJFBDSJQIDBEV-UHFFFAOYSA-N 358.290 4.593 0 40 FJAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)c1 7615828 MVUACNUMUAAJOA-OAHLLOKOSA-N 367.836 4.527 0 40 FJAB O=C(Cc1cccs1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7652050 LCBJXGIPIBFIHU-QGZVFWFLSA-N 366.511 4.782 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 7935343 NTVOODVWQLNGDX-NSHDSACASA-N 366.280 4.577 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 8335521 NGNICKINOZDDOW-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB CCOC(=O)c1cnc2ccc(C)cc2c1OCc1cc(F)cc(F)c1 8580746 OVHKSUOTLBQGSO-UHFFFAOYSA-N 357.356 4.577 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc(C)s2)cc1 9514179 ZCIASYOKKDHPBU-UHFFFAOYSA-N 371.487 4.678 0 40 FJAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1c(F)cccc1Cl)O2 11866504 VHGNNCWKRSKVRL-HNNXBMFYSA-N 372.779 4.909 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)c(C)c1 12558916 RQAOOPGPJBJQGV-GOSISDBHSA-N 351.494 4.733 0 40 FJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2c(C)cc(C)cc2C)cc1 12768472 HQUPBAROSSXJHX-OAHLLOKOSA-N 356.491 4.690 0 40 FJAB O=C(c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1)N1CCCCC1 12785253 XHMGDGHWLQBJJX-UHFFFAOYSA-N 373.428 4.505 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 14244285 AJNCNBVGZHXQGT-MGPQQGTHSA-N 353.915 4.840 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20452312 QYYCKZAMUJSKCB-KRWDZBQOSA-N 369.461 4.503 0 40 FJAB Cc1cc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c(C)o1 27931738 AEWJPYWVDAVETC-UHFFFAOYSA-N 364.232 4.700 0 40 FJAB CSCc1ccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1 32930274 LQBMZQJVKQSTBU-UHFFFAOYSA-N 356.491 4.705 0 40 FJAB CC1CCN([C@H](CNC(=O)c2cc3ccccc3o2)c2cccs2)CC1 33028229 VGTYQRRLOORCDS-QGZVFWFLSA-N 368.502 4.697 0 40 FJAB Cc1ccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nn1 35597944 WQUMEWXMFXURJZ-UHFFFAOYSA-N 356.788 4.573 0 40 FJAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C)nn(-c3ccccc3)c2n1 36611659 RCSNZLDAHBFGDD-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cn2ccnc2)cc1 44917325 VPNOCVIOGGDSOB-UHFFFAOYSA-N 361.445 4.505 0 40 FJAB Cc1ccc(Cn2cnc3c(-c4cccc(F)c4)csc3c2=O)c(C)c1 64667690 RJFZYQYGTFAMHO-UHFFFAOYSA-N 364.445 4.929 0 40 FJAB CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215343 HHUANXNQLOALAU-SFHVURJKSA-N 359.514 4.921 0 40 FJAB Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1NC(=O)c1ccco1 72303339 JACSXLXYJJIREJ-IERDGZPVSA-N 374.440 4.674 0 40 FJAB Cc1ccc(-c2noc([C@H]3CCN(Cc4ccnc5ccccc45)C3)n2)cc1 72369990 JJIILQKHALFITJ-IBGZPJMESA-N 370.456 4.583 0 40 FJAB Cc1nnc([C@H](C)NC(=O)c2ccccc2Nc2cccc(C)c2C)s1 95940095 JVIMMRHJNNQEOH-AWEZNQCLSA-N 366.490 4.698 0 40 FJAB COc1coc(CSc2nc3ccccc3n2C2CCCCC2)cc1=O 96191905 CMJUEKWMYQABPL-UHFFFAOYSA-N 370.474 4.796 0 40 FJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Oc3ccccc3)cc1)OC2=O 100260881 PZMYQJPTKLOLNI-VXKWHMMOSA-N 365.429 4.539 0 40 FJAB O=C(NCCCSc1ccccc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 105177200 PIQJKOLVGQWJDH-JZFKGDSASA-N 363.954 4.863 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219316814 HNPTYNGLGTVRHB-OALUTQOASA-N 353.462 4.571 0 40 FJAB Cc1nc(C(C)C)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 222571802 RVQIYYRBXPKVMA-UHFFFAOYSA-N 357.763 4.833 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(C(C)(C)C)c3)N21 222687164 QXJMUZCGPKYQTO-CGTJXYLNSA-N 354.523 4.618 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 223083289 JOIRYZBXXIJBKC-QFIPXVFZSA-N 351.490 4.774 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223669501 UDVWCCNNBGNZDE-KRWDZBQOSA-N 371.546 4.968 0 40 FJAB CCOc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223735319 NKBTZHBFNBAILP-UHFFFAOYSA-N 355.478 4.500 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224465342 KSOGUXIEFCTRSN-OAQYLSRUSA-N 361.441 4.743 0 40 FJAB Fc1ccc(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225547560 HEDPYCQLMGBUFH-UHFFFAOYSA-N 356.388 4.764 0 40 FJAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1)C1CC1 225857456 BBHTZRWHXSWUPP-KRWDZBQOSA-N 359.388 4.638 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2cccnc12 225883780 YTZWLSVFMWNNTK-NRFANRHFSA-N 358.482 4.803 0 40 FJAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2cccnc12 225891190 CAYXVHDZQLKCGW-UHFFFAOYSA-N 356.466 4.557 0 40 FJAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2-c2ccc(C(=O)O)o2)cc1 226356610 TXRXOEDDFDYSLW-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCC1 408978921 OTGLHFNDHQPNPM-UHFFFAOYSA-N 373.412 4.776 0 40 FJAB COc1cccc(OC(=O)c2ccc(COc3ccccc3OC)cc2)c1 409182629 NREVDYDBIKHLGB-UHFFFAOYSA-N 364.397 4.502 0 40 FJAB CN(Cc1ccccc1)CC1CCN(c2ccnc3cc(F)ccc23)CC1 500479228 OFCFPRAOTJEDHP-UHFFFAOYSA-N 363.480 4.722 0 40 FJAB CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCCC(F)(F)CC3)c2O1 626551849 WHBQDZGOUIFDPC-UHFFFAOYSA-N 358.816 4.707 0 40 FJAB Cc1occc1-c1cc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)no1 683807160 WJYXJUVVVLCJDZ-CJNGLKHVSA-N 351.406 4.653 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCCCC2)cc1 801792 OZPQWPXWDPLCPQ-UHFFFAOYSA-N 367.474 4.549 0 40 FJAB COc1ccc(-c2c(-c3ccccc3)c3ccc(O)cc3oc2=O)cc1OC 1080958 BYLCNWQEOASNRQ-UHFFFAOYSA-N 374.392 4.850 0 40 FJAB biogenic,in-vitro COc1cc2c(cc1NC(=O)c1ccc(Cl)nc1)oc1ccccc12 3517103 POUHTMVGGBSAFE-UHFFFAOYSA-N 352.777 4.895 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 3558525 NCMMFMHNLGDELK-UHFFFAOYSA-N 365.429 4.551 0 40 FJAB Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(F)cc1 4678313 IGPYJDOMALMEED-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB CC(=O)Nc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 5217590 NLJGFVPLAPZFMG-UHFFFAOYSA-N 371.396 4.753 0 40 FJAB CCc1ccc(-c2csc(NC(=O)Cc3cccc(OC)c3)n2)cc1 5579041 OEPIMNRYJYMJNG-UHFFFAOYSA-N 352.459 4.562 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 6274376 DAPSZBVNJFRZMV-UHFFFAOYSA-N 355.434 4.683 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 6657274 DNPAZLVSNLCZNW-LDADJPATSA-N 371.433 4.851 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccccc3Cl)on2)cc1 6755275 QPIUXFOPYHVILO-ZDUSSCGKSA-N 356.809 4.709 0 40 FJAB CCc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(F)cc2)cc1 6870924 WEJNDIYHEJWYQZ-UHFFFAOYSA-N 356.466 4.570 0 40 FJAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1Cl 7249366 MJQTVHIBFWKGCE-VMPCVLLUSA-N 356.274 4.645 0 40 FJAB CC(=O)Nc1nc(CSc2cc(C)c3cc(C)cc(C)c3n2)cs1 7777402 MQPLQOQHZPEHAS-UHFFFAOYSA-N 357.504 4.867 0 40 FJAB CCOc1ccc2oc(C(=O)OCC(=O)c3cccc(Cl)c3)c(C)c2c1 7780672 WJHFVTILXYNKEL-UHFFFAOYSA-N 372.804 4.833 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 8335519 RKXMBUXRKYKBTE-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB COCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 8469032 YKXHOMRZNXJMCU-UHFFFAOYSA-N 355.865 4.808 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)OCc1ccc(Br)cc1 8650121 RVMGOYYXZBHYMX-UHFFFAOYSA-N 358.235 4.606 0 40 FJAB Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(Cl)cc1Cl 8697865 NEPHACVWWYERLT-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB CCc1nnc(CSc2nc(Nc3ccccc3)c3ccccc3n2)o1 9368084 KCAXEPDGPJBRAE-UHFFFAOYSA-N 363.446 4.611 0 40 FJAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1 9573330 QJCDAWTTXGBAEJ-UHFFFAOYSA-N 367.497 4.504 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(Cl)c1 9689920 GCGBHOSYZLUMBN-UHFFFAOYSA-N 360.822 4.808 0 40 FJAB C[C@H](Sc1nnc(-c2cccs2)o1)c1nnc(-c2cccs2)o1 9834239 NEEMFYQZMVMBDD-QMMMGPOBSA-N 362.461 4.763 0 40 FJAB COc1ccc(C2(NCc3c[nH]c4cc(OC)ccc34)CCCC2)cc1 12293050 QRDGZLUIXIUJSR-UHFFFAOYSA-N 350.462 4.744 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2Cl)cc1OC 12935762 DUWOIYOLQHUMGF-UHFFFAOYSA-N 358.196 4.792 0 40 FJAB COc1ccc2cc(CN(C)C(=O)Cc3c[nH]c4ccccc34)ccc2c1 14186694 NDLWELZLOWZYKY-UHFFFAOYSA-N 358.441 4.531 0 40 FJAB Cc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 16959341 ZOMRGOCAGYIMKI-UHFFFAOYSA-N 355.441 4.574 0 40 FJAB Cc1ncc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)n1 19937113 OLXBIJVQQYFUIU-UHFFFAOYSA-N 353.809 4.791 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1Cl 20137794 NOSGBGAIZAYLEI-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 20452830 NMTKUNGAMXQTCU-IFXJQAMLSA-N 361.869 4.774 0 40 FJAB COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(Cl)c1 22072776 XQDWIPVEUQTNDK-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB CCCc1nc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2s1 22254775 XUUAPOIJEZFDAQ-UHFFFAOYSA-N 356.447 4.518 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(C)n1[C@H](C)c1ccccc1 24475641 NSBPIRUOTQEUJD-OAHLLOKOSA-N 362.429 4.695 0 40 FJAB C[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1Cc1ccccc1Cl 27587803 HOIHROGUDCCROQ-AWEZNQCLSA-N 369.896 4.961 0 40 FJAB O=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 28241173 IVFNJRIMFPFAJJ-UHFFFAOYSA-N 374.271 4.810 0 40 FJAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 30940430 SJSLDYUOWDCWQE-SFHVURJKSA-N 366.505 4.958 0 40 FJAB CCCc1ccc(-c2csc(NC(=O)COc3cccc(F)c3)n2)cc1 32988947 GZSHURYIEFZPHY-UHFFFAOYSA-N 370.449 4.919 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 44904596 RBTGBOOTDIDVPA-IBGZPJMESA-N 368.521 4.860 0 40 FJAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)ccc1OC(C)C 49547848 PADPZKMRLLCSLY-AWEZNQCLSA-N 357.454 4.558 0 40 FJAB Cc1ccc(C)c(SCC(=O)NCCSc2ccc(Cl)cc2)c1 57781284 IOAVIZFTZCIWHE-UHFFFAOYSA-N 365.951 4.957 0 40 FJAB O=C(Nc1c(Cl)ccc2nsnc12)c1cc(Cl)ccc1Cl 59294384 GTUNPJHVZBPHJE-UHFFFAOYSA-N 358.637 4.904 0 40 FJAB Cc1ccc(SCC(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1 72288768 SRPSWGZOJLEOLN-INIZCTEOSA-N 367.518 4.895 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72353928 UVOPYNNKQFOVQN-JOCHJYFZSA-N 362.517 4.877 0 40 FJAB COc1cc(CNc2ccc3nc(C)sc3c2)ccc1OC(F)F 84290403 QSDJHHOOENUMHD-UHFFFAOYSA-N 350.390 4.827 0 40 FJAB CC(C)n1cc(C(=O)Nc2nc(-c3cccnc3)cs2)c2ccccc21 96231638 BZVJWKSRPPGSCD-UHFFFAOYSA-N 362.458 4.993 0 40 FJAB C/C(=C\c1ccccc1)CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100727104 AQKGRTSCYROUEQ-DFSJCDEESA-N 351.465 4.744 0 40 FJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@]2(Cl)C1 118926017 HWLOAYIHCDYIQF-VPAFNXHNSA-N 366.929 4.891 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 216388305 SBZPGHYRIPMXAK-NRFANRHFSA-N 354.494 4.633 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)cc1 222819796 DUGDJFROXQGXBB-KKSFZXQISA-N 367.489 4.609 0 40 FJAB C[C@@H](CNC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 225135743 QQQWIMNZVFSJJN-ZDUSSCGKSA-N 351.874 4.632 0 40 FJAB COc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2N)cc1 225182316 YQSUEQMZESVKSD-UHFFFAOYSA-N 367.758 4.802 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225188773 GYJGXKIZLMKCLF-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB O=C(NCc1cncc(-c2cccs2)c1)NCc1cccc2ccccc12 225668332 GVDYBEOSBFFUEQ-UHFFFAOYSA-N 373.481 4.963 0 40 FJAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3Cl)CCCC2)s1 225680938 ZZDDKLXUZFJVMS-CYBMUJFWSA-N 363.910 4.697 0 40 FJAB COC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 226333114 HSTLDRAPXBAHOP-CSKARUKUSA-N 361.235 4.523 0 40 FJAB C[C@@H]1[C@@H](n2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)CCC[C@H]1C 253575344 UMHHCJGRDWHUNG-GUXCAODWSA-N 372.472 4.708 0 40 FJAB c1ccc(-c2ccc(CN3[C@H]4CC[C@H]3c3cnc(C5CC5)nc3C4)cc2)nc1 253588665 NHVDXODXPHDQSV-CVDCTZTESA-N 368.484 4.678 0 40 FJAB CC(C)(C)OC(=O)N1[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]13)N[C@@H]2Cc1ccccc1 257311509 UJUZQOXUERKFEN-ZJQTUCFNSA-N 370.537 4.528 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(C)cc3)n2)cc1 409385002 HJCQQNFGWZMQRC-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB O=C(NC[C@H]1CCCc2ccccc21)N(Cc1cccc(F)c1)C1CC1 515848587 MJOAIPMDBBRXTP-GOSISDBHSA-N 352.453 4.620 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC2(CC1)CC2(F)F 650600112 RKBGUUKXZNEQEW-UHFFFAOYSA-N 355.428 4.856 0 40 FJAB Cc1ccsc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615155409 HRDCUVIBVLWOMY-QAPCUYQASA-N 372.509 4.715 0 40 FJAB Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl 877652 LMPAXSITRJLWCP-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB COc1ccc2c(C)cc(SCC(=O)Nc3cc(C)ccc3C)nc2c1 943175 OBGJMPSSXLTRIT-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB COc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 1162356 GFDLOQVUVBBATG-UHFFFAOYSA-N 356.429 4.994 0 40 FJAB CCCCCCc1cc2cc(-c3cn4ccsc4n3)c(=O)oc2cc1O 1863800 XDNHQDLQOFFCCW-UHFFFAOYSA-N 368.458 4.998 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)c1 3257274 YMQJJMUGJYSDSO-LJQANCHMSA-N 365.454 4.902 0 40 FJAB aggregator Cc1cccc(Nc2nnc(SCc3cn4ccsc4n3)s2)c1 3264988 KPUWEYVQYFFMHZ-UHFFFAOYSA-N 359.505 4.592 0 40 FJAB Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2C)cc1 3430856 FDZZRIADDFFTNQ-UHFFFAOYSA-N 359.882 4.648 0 40 FJAB Cc1c(CC(=O)NC(C)C)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5348880 XXDZKFZOCAEWBT-UHFFFAOYSA-N 369.461 4.521 0 40 FJAB O=C(CCCOc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 6332816 XRESVMLDWFVLMB-UHFFFAOYSA-N 355.768 4.739 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 6341598 SGSMYDQRGAHYDG-UHFFFAOYSA-N 368.458 4.858 0 40 FJAB CCc1ccc(Cc2cnc(NC(=O)CCc3ccc(C)o3)s2)cc1 6359155 JVZXSFZYZPIYAZ-UHFFFAOYSA-N 354.475 4.769 0 40 FJAB CSc1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 6653849 VQSRVJSZWKSMEL-UHFFFAOYSA-N 363.895 4.669 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1C 8497675 KOAYVEOCLFFNTJ-LBPRGKRZSA-N 366.230 4.611 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 8560782 UXECFPYVIIYBGT-UHFFFAOYSA-N 355.434 4.683 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1C 10129952 APCZPKJPRJLRPA-UHFFFAOYSA-N 368.245 4.974 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(Cl)ccc1Cl 10286506 YWIPLTBBNXOFAN-UHFFFAOYSA-N 351.258 4.875 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2SC)cc1OCC 10542791 DAEIKVLJQJDRGG-AWEZNQCLSA-N 359.491 4.697 0 40 FJAB COc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)c(C)c1C 12222735 VJQRCOMFHLBEKL-UHFFFAOYSA-N 361.489 4.635 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(OC)c2)cc1OCC 16317296 WRMPEVWKUQNEON-AWEZNQCLSA-N 374.506 4.540 0 40 FJAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(Nc3ccc(Cl)cc3)ncc21 17246260 XRCUQYGRJBWQNA-CYBMUJFWSA-N 367.811 4.925 0 40 FJAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)n1 19573012 DQCALKQWPQCQPO-ZIAGYGMSSA-N 359.857 4.728 0 40 FJAB COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(CO)o1 20139155 RKHAUHGSHPIMKS-UHFFFAOYSA-N 373.408 4.853 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20143068 BJEYNDMEXDMEOX-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 20450374 QMGVWAPYZDGHAH-HXUWFJFHSA-N 371.889 4.716 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc2cccnc12 21353412 CRRVNBMVKUWYLU-MDZDMXLPSA-N 368.868 4.701 0 40 FJAB CCSc1ncc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 27993338 YXKKMWFRXKVESR-UHFFFAOYSA-N 353.234 4.612 0 40 FJAB Cc1nc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)sc1C 31533661 UUJFZIXUMFABTM-UHFFFAOYSA-N 366.490 4.602 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)s1 32903625 JKSXBZOFDNCNQM-UHFFFAOYSA-N 370.518 4.968 0 40 FJAB Cc1ccc(Oc2ccc(N(C)C(=O)Nc3cccc(F)c3C)cc2)nn1 38670843 IQCBFNDZEGCVPO-UHFFFAOYSA-N 366.396 4.693 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 44839106 FJELBJODEBVXMI-RTWAWAEBSA-N 355.478 4.756 0 40 FJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C 65539173 YNPZDKNRXIIUOK-RBUKOAKNSA-N 352.478 4.633 0 40 FJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C2CCCCC2)C1 72358336 QNPQJTPHNFQPMB-QGZVFWFLSA-N 351.494 4.664 0 40 FJAB C[C@H]1CCCCN1C(=O)c1ccc2ccc(N(C)Cc3ccccc3)n2c1 96146144 DUJFVXGIEXBVAP-SFHVURJKSA-N 361.489 4.590 0 40 FJAB Cc1ccccc1-c1nc(C)c(CNC(=O)[C@@H](C)Oc2ccccc2)s1 96342827 YOYWGLDCAGRUSU-MRXNPFEDSA-N 366.486 4.511 0 40 FJAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(OC)c(OC)c1 218999882 JBYOQHJQKKSKLK-GOSISDBHSA-N 373.518 4.595 0 40 FJAB C[C@@H](NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1 222608748 FBCOGUBFZMBDHM-GFCCVEGCSA-N 372.255 4.941 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1cccc(Cl)c1 224485331 RXODFFYWSUPKRX-AWEZNQCLSA-N 361.869 4.846 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 225224567 YVAGLOFAIMWYRR-LEWJYISDSA-N 369.505 4.991 0 40 FJAB COc1ccc(NC(=S)NCCSC2CCCCC2)cc1Cl 225357362 FQLDYXFXOWZBQL-UHFFFAOYSA-N 358.960 4.701 0 40 FJAB Cc1ccccc1CSCCNC(=S)Nc1ccc(Cl)cc1 225360157 HFEAGSFVLJFVQD-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 225717676 WBIBXOPXUPKWGG-MRXNPFEDSA-N 358.507 4.758 0 40 FJAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c2cccnc12 225894575 BUROHPRLXGEMKA-OAQYLSRUSA-N 358.482 4.803 0 40 FJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccccc3F)nc2c1 226282910 BITCSPWLIJKETA-UHFFFAOYSA-N 366.314 4.858 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)O)CC[C@H]32)C1 253497453 KXWWWRVUYQUXMN-YAUOJQOPSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro c1cncc(-c2ccc3c([C@@H]4CCCN4Cc4ccsc4)ncn3c2)c1 306134599 NTGPSMZHEIIJES-IBGZPJMESA-N 360.486 4.795 0 40 FJAB Cc1ccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)cc1 408723071 ZFWIDNHCFDDGAJ-UHFFFAOYSA-N 368.502 4.643 0 40 FJAB O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cc2ccccc2nc1O 542904662 DADFZGSGHMKHAI-UHFFFAOYSA-N 364.420 4.536 0 40 FJAB CC(C)N1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583173 UUCIOJMDQXJIAZ-UHFFFAOYSA-N 367.489 4.749 0 40 FJAB CCSCc1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn12 1776110977 DLDZLOVJQODVAW-GQCTYLIASA-N 371.318 4.916 0 40 FJAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccc(Cl)c(Cl)c2)c1 1889128382 QIZUBRNVRWXTSI-XYPWUTKMSA-N 350.293 4.866 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccccc1 938579 STKZEMYHFUFBHK-UHFFFAOYSA-N 365.454 4.773 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1c2ccc(F)cc2CC[C@H]1C 997560 PWASPLNMKKRBQV-KGLIPLIRSA-N 361.844 4.923 0 40 FJAB CCc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2CC(C)C 1369502 YDSWSSOWBIMQQI-OALUTQOASA-N 359.583 4.577 0 40 FJAB COc1cccc(CN2C[C@@H]3CCCN3c3ccc(C(F)(F)F)cc32)c1 1385091 QSLPJUODIPZBMD-INIZCTEOSA-N 362.395 4.703 0 40 FJAB Cc1cc(-c2noc(-c3ccc(Br)o3)n2)c2ccccc2n1 1426813 BMHUWSYXALWUFN-UHFFFAOYSA-N 356.179 4.616 0 40 FJAB CCCOc1ccc(C(=O)[C@H](CN2CCCCC2)c2ccccc2)cc1 1816656 FFWCCKUNJDPIMI-JOCHJYFZSA-N 351.490 4.928 0 40 FJAB O=C(Nc1ccccc1F)N(C[C@H](O)c1ccccc1)C1CCCCC1 2034949 RQDIWLKSTCRVTH-FQEVSTJZSA-N 356.441 4.726 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)c1 3411782 XUOOMOZCDPFLBQ-UHFFFAOYSA-N 355.488 4.874 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4734727 VXVHWDAQHUHBQS-FQEVSTJZSA-N 361.445 4.585 0 40 FJAB Cc1c(C(=O)NC2CCCCC2)sc2nc(-c3ccc(F)cc3)cn12 4930894 GGJLGOSTFVYYTH-UHFFFAOYSA-N 357.454 4.573 0 40 FJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 6127255 UHHFGWSZFCXHMZ-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1Oc1ccccc1 6346447 VDLJVNUZXDAJED-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB Cc1ccccc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 6551396 JOZDWDLCEMLYFR-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB COc1ccc(OCCCSc2ncnc3sc4c(c23)CCC4)cc1 6936988 GEGRVACNYIUCEE-UHFFFAOYSA-N 372.515 4.750 0 40 FJAB Brc1ccc(OCc2ccccc2)c(CNCc2ccco2)c1 7523638 LOQDVKMIJCEQSB-UHFFFAOYSA-N 372.262 4.911 0 40 FJAB Cc1ccc2oc(-c3cc(NC(=O)C(F)(F)F)ccc3Cl)nc2c1 8053906 CVSYHERZWADRHN-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2)cc1OC 8253361 IUVSZMDMVGBGNC-ZDUSSCGKSA-N 364.283 4.707 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1sccc1-c1ccccc1 8325317 BOBLDCRQVNVXGZ-GOSISDBHSA-N 366.486 4.575 0 40 FJAB Cc1csc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n1 10554920 MWNXRYZIPQMZLQ-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@H]1c1ccccc1Cl 10818641 VHVIBRWRUOKPDU-STQMWFEESA-N 355.850 4.601 0 40 FJAB CCc1cccc(CC)c1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 11052425 RNNLSINXGXANJY-HNNXBMFYSA-N 365.473 4.827 0 40 FJAB O=C(Cn1cnc2cc(F)c(F)cc21)Nc1ccccc1-c1ccccc1 12537185 PLZAIYSZWIBDPQ-UHFFFAOYSA-N 363.367 4.620 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccccc1Cl 12764353 LUAJUSNBDQSZKJ-LLVKDONJSA-N 357.866 4.658 0 40 FJAB CCOC(=O)Nc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)cc1 13570661 XBYQRJYPZPCMNJ-UHFFFAOYSA-N 371.418 4.532 0 40 FJAB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(nc3ccccc32)N1 13634808 AIIJYJPVSULLPR-SFHVURJKSA-N 367.474 4.730 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 20488332 RWPPNGNUVRESAN-KRWDZBQOSA-N 369.461 4.503 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)c1 25213944 PFTDJWWUSXCOIY-ZDUSSCGKSA-N 352.356 4.641 0 40 FJAB Cc1cc(NC(=O)CCCC(=O)c2cccs2)ccc1Br 25527815 RKZKHQKIZUZYGF-UHFFFAOYSA-N 366.280 4.811 0 40 FJAB O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 30944020 AFOYZJURLHQKKB-SFHVURJKSA-N 362.945 4.781 0 40 FJAB CCN(C(=O)c1csc(COc2ccc(C)cc2)n1)c1ccccc1 32841563 DILHDCCTPVXAKO-UHFFFAOYSA-N 352.459 4.697 0 40 FJAB CCc1sc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1C 32892901 GHJYZZPKTITVKU-AWEZNQCLSA-N 353.491 4.515 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 35289606 BHYQRFOULPGJET-IBGZPJMESA-N 365.477 4.501 0 40 FJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 40119585 NXRBCIFCRQFLHB-LBPRGKRZSA-N 373.428 4.646 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 45221831 FWRLMIWCWSFFFU-ROUUACIJSA-N 359.853 4.692 0 40 FJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 57266079 BCYTWLHUCQCOHK-INIZCTEOSA-N 371.452 4.690 0 40 FJAB CCCn1cc(C(=O)N(C)CCCOc2ccccc2)c2ccccc21 58023441 FSDMUFIETWSJHK-UHFFFAOYSA-N 350.462 4.592 0 40 FJAB COc1ccc2c(-c3ccccc3)c(C(=O)N3CCCSCC3)oc2c1 83970200 YNXPWWIUWBLYQT-UHFFFAOYSA-N 367.470 4.688 0 40 FJAB COc1cccc([C@@H](CNC(=O)c2ccc(-c3ccsc3)cc2)OC)c1 96390142 DALQAHPVLVMSHQ-HXUWFJFHSA-N 367.470 4.541 0 40 FJAB Cc1ccc(-c2noc(-c3nc(C)n(-c4ccc(Cl)cc4)n3)n2)cc1C 98211993 ABGPKSAJLBDROI-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc2ccccc2c1 223622243 ZMYUIBGFNRWSEM-QFIPXVFZSA-N 363.457 4.501 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1Cl 225040025 KBWQBUOTWTTYRJ-HNNXBMFYSA-N 361.869 4.553 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225167316 ZPRBMRICZRCJQZ-DLBZAZTESA-N 355.478 4.772 0 40 FJAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OC 237046104 NFQRUGHAIGBIHH-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc(C)c1 409197086 VPZJRBUYASNKRC-UHFFFAOYSA-N 355.503 4.744 0 40 FJAB COc1ccc([C@H](C)NC(=O)Nc2ccc(Nc3ccccc3)cn2)cc1 1626434606 VGAPAFWNZUCPRX-HNNXBMFYSA-N 362.433 4.717 0 40 FJAB CC(C)(C)c1ccc(CC(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1 1638662514 WUCUYFSPKSZMBX-UHFFFAOYSA-N 374.444 4.697 0 40 FJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc2ccccc12 869764 PPRIYFKMOQBNKI-UHFFFAOYSA-N 373.378 4.573 0 40 FJAB Cc1ccc([C@H](c2nnnn2C2CCCC2)N2c3ccccc3C[C@@H]2C)cc1 883943 HQCLHHBOZCUWNJ-HTAPYJJXSA-N 373.504 4.637 0 40 FJAB aggregator N=C(NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 1491941 YGOCAMFQDLFNQK-UHFFFAOYSA-N 362.273 4.719 0 40 FJAB O=C(O)C[C@@H](c1ccc(Cl)cc1)[C@@H](CC(=O)O)c1ccc(Cl)cc1 1713625 GUQHSNHAMGACCO-HOTGVXAUSA-N 367.228 4.810 0 40 FJAB CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCC2 2259134 ATXQPFDXXMDGIO-UHFFFAOYSA-N 364.854 4.711 0 40 FJAB CC(C)C[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 2271927 PVRGUGDRQFLDMQ-DZGCQCFKSA-N 360.479 4.522 0 40 FJAB COc1cccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 3173025 OSBUSBMKPMRDRV-UHFFFAOYSA-N 366.414 4.872 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1C 3382354 PKYCWEOZRMVREL-GFCCVEGCSA-N 356.487 4.838 0 40 FJAB CCCCOc1ccc([C@@H]2NC(=S)NC3=C2CCc2ccccc23)cc1 3771584 YBLQMVGOPFIXLJ-FQEVSTJZSA-N 364.514 4.742 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)CCCC2 4275922 KQOVVNXVBZJCTK-UHFFFAOYSA-N 353.809 4.521 0 40 FJAB O=C(C1CCCCC1)N(Cc1ccccn1)c1nc2ccccc2s1 4304743 HBBOFYAORABPIF-UHFFFAOYSA-N 351.475 4.805 0 40 FJAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(C(C)C)cc3)cc12 5721909 HNBUFRSCZFBLMN-UHFFFAOYSA-N 372.472 4.758 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccc(C)c(C)c3)n2)cc1 5867308 DEODKCBFHZKJFE-OAHLLOKOSA-N 351.475 4.760 0 40 FJAB Cc1nccn1-c1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 6660080 MIJPXTKKQMYNKW-UHFFFAOYSA-N 351.413 4.557 0 40 FJAB Clc1ccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)c(Cl)c1 6668090 RVJDUWBCBNHWHY-DUXPYHPUSA-N 374.256 4.725 0 40 FJAB COc1ccccc1CNC(=O)c1sc(-c2cccc(Cl)c2)nc1C 8061212 HCQOIGQUBXXXJX-UHFFFAOYSA-N 372.877 4.711 0 40 FJAB CCCn1c(NC(=O)c2csc(-c3cccs3)n2)nc2ccccc21 9318867 YKJCMJWCYPFQRV-UHFFFAOYSA-N 368.487 4.884 0 40 FJAB O=C(CCCc1ccccc1)Nc1nnc(CSc2ccccc2)s1 9426490 BHOMSIYVMQABBU-UHFFFAOYSA-N 369.515 4.792 0 40 FJAB CCc1ccc([C@@H](NC(=O)c2ccc3c(c2)OCO3)c2cccs2)cc1 10447664 KDYAHXUVVWXHIF-HXUWFJFHSA-N 365.454 4.559 0 40 FJAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc4c(s3)CCCC4)sc2n1 10519406 WOVKQOOVYGXWOW-UHFFFAOYSA-N 357.504 4.809 0 40 FJAB Cc1nc(Nc2cccc(CO)c2)c2c(-c3cccs3)csc2n1 12534713 DHQKWPHOVOQNGW-UHFFFAOYSA-N 353.472 4.964 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c1 12985168 WPSQPSMHRZIRTH-HZPDHXFCSA-N 367.493 4.890 0 40 FJAB CCCCn1nc(C)c2c(C(=O)Nc3cccc(C)c3C)cc(C)nc21 17072750 BDMYMHDPDYIDPX-UHFFFAOYSA-N 350.466 4.717 0 40 FJAB c1cc(CN[C@@H](Cc2ccsc2)c2nccs2)c2cccnc2c1 19293252 HIJWZVVSGSBEQL-SFHVURJKSA-N 351.500 4.826 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(-n2cccn2)cc1 21796974 RHMRCOSELCPAEY-UHFFFAOYSA-N 353.853 4.903 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(Cc2ccccc2)no1 22462018 DHOIECHCMPKVIO-OUKQBFOZSA-N 371.396 4.572 0 40 FJAB Cc1[nH]c2c(C(=O)Nc3ccc(F)c(NC(=O)C4CC4)c3)cccc2c1C 24877784 ITGXWIGHWPXPCQ-UHFFFAOYSA-N 365.408 4.525 0 40 FJAB CCCCOc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC 27563264 FABSHXYRDUURMB-ACCUITESSA-N 355.434 4.535 0 40 FJAB Cc1c(C)n(C[C@H](O)CN[C@H](C)c2ccccc2)c2c(Cl)cccc12 28296762 NOZOXHKYFNAUCM-CRAIPNDOSA-N 356.897 4.623 0 40 FJAB COc1ccc(-c2noc(CNc3ccccc3Cc3ccccc3)n2)cc1 32819337 XGGQOTQLZXEUQU-UHFFFAOYSA-N 371.440 4.948 0 40 FJAB Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1C 33326231 ZIMHHEJTUBGLJU-UHFFFAOYSA-N 352.459 4.520 0 40 FJAB C[C@@H]1CCC[C@H](N[C@@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)[C@@H]1C 36075253 RROFHMUQHXNYJT-YAKVFXAGSA-N 352.522 4.640 0 40 FJAB CCCCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397228 ZXFQIGJGRWBSFX-UHFFFAOYSA-N 366.852 4.555 0 40 FJAB CC1=C[C@]2(Nc3cc(Cl)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40545375 SDANAKQPOHYFAC-HXUWFJFHSA-N 365.820 4.788 0 40 FJAB CC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)n1 46012461 RYZBVYHETSQMIC-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1OCC 46081997 BNITTZRJTHPAAR-UHFFFAOYSA-N 373.449 4.534 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1(C)C 46407736 CYELLZLMDCNBMP-FCEWJHQRSA-N 352.478 4.772 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 46891035 BCSGDKKMGMKSHK-ZDUSSCGKSA-N 353.409 4.644 0 40 FJAB c1ccc2c(C3CCN(Cc4ccc(-n5cccn5)cc4)CC3)c[nH]c2c1 48262102 MDIAPVKZWCCNRQ-UHFFFAOYSA-N 356.473 4.733 0 40 FJAB CCCNc1nnc(SCc2cccc(OCC(F)(F)F)c2)s1 59832808 QVVAXXQCAPRSDU-UHFFFAOYSA-N 363.430 4.593 0 40 FJAB CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NCc1cccnc1 67889832 CCQBLAVNHCFPAI-UTKZUKDTSA-N 365.452 4.623 0 40 FJAB biogenic,in-vitro CCn1ccnc1SCc1cc(Cl)ccc1OCc1cccnc1 71817040 PHIADTKMARFXLY-UHFFFAOYSA-N 359.882 4.823 0 40 FJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@@H]1c1ccco1 84432132 YVYLUAMOYLNNLP-ROUUACIJSA-N 353.368 4.567 0 40 FJAB O=S(=O)(c1ccc(NCc2ccc(-c3ccccc3)o2)cc1)C(F)F 89851196 XAJTTXWKQPEYOD-UHFFFAOYSA-N 363.385 4.555 0 40 FJAB COc1cc(C(=O)Nc2c(C)cccc2Cl)sc1Br 95976171 QEEGUCSSFHYDTP-UHFFFAOYSA-N 360.660 4.733 0 40 FJAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2csc(-c3ccoc3)n2)o1 173548479 CAJRMCKNJYGTRC-DYVFJYSZSA-N 370.474 4.847 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219494232 PACIMVGLJFCRKD-HOTGVXAUSA-N 355.478 4.637 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)OC)cc1 222909378 WNWGXAAKPIQLDJ-LJQANCHMSA-N 369.461 4.567 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224250750 OISGHIJSOSDZCM-CYBMUJFWSA-N 359.853 4.633 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225375859 SKUDDGBEZHWNSF-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB CC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2N)CC1 226263174 ABTNGLJYQYXZAK-UHFFFAOYSA-N 359.473 4.911 0 40 FJAB COC(=O)c1cn(C(=O)c2cccc3c(Cl)cccc23)c2ccccc12 226366002 WJHWPZIRORRKJU-UHFFFAOYSA-N 363.800 4.923 0 40 FJAB COc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)cc1 244909625 ANPSQFMUUBULGJ-CTNGQTDRSA-N 362.454 4.999 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 408678962 LJGIFROCBQAUFN-GOSISDBHSA-N 363.910 4.547 0 40 FJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)cc1 409001181 VFBZGHIIHMPIRM-MZYLBHOOSA-N 371.436 4.864 0 40 FJAB Cc1cccc(CC2CN(C(=O)Nc3ccc(C(=O)C(C)C)cc3)C2)c1 585086988 DNJOASBKIYKULP-UHFFFAOYSA-N 350.462 4.540 0 40 FJAB Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c1 1518136986 CUVZENFWXZLNNQ-VQTJNVASSA-N 359.429 4.628 0 40 FJAB Cc1ccccc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615118979 GKHCFSJLWQKZOJ-QHCPKHFHSA-N 366.480 4.798 0 40 FJAB O=C(Nc1ccc(Br)cc1Br)c1ccc(F)cc1 844786 AGPIVQFTQOZXPR-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1 1516649 SXZMVIYRYNIFJY-UHFFFAOYSA-N 369.343 4.597 0 40 FJAB Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2C)c1 1927076 XSULBPNCDVQKLS-UHFFFAOYSA-N 369.468 4.631 0 40 FJAB Cc1ccc(C)c(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1 2212104 MCKNRHOPEPGDGA-UHFFFAOYSA-N 373.485 4.633 0 40 FJAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2)cc1 2371621 YAAYRNWARXLNIC-RLWLMLJZSA-N 373.433 4.696 0 40 FJAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 2483700 XLGVIYMTBYCWIS-UHFFFAOYSA-N 359.834 4.933 0 40 FJAB Cc1cc(OCCn2nnc(-c3ccc(Cl)cc3)n2)ccc1C(C)C 3434047 DXKIZIQPJVBJLH-UHFFFAOYSA-N 356.857 4.504 0 40 FJAB Cc1ccc2sc(NC(=O)c3ccccc3Br)nc2c1C 4275346 PXDBZPJQNQDRFA-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB CCCCCCNC(=O)c1c(NCCCCCC)c2ccccc2[nH]c1=O 4905198 GJUSHGQVIFMUPU-UHFFFAOYSA-N 371.525 4.830 0 40 FJAB CCc1ccc2c(c1)C(C)(C)[C@@]1(C)N(Cc3ccc(Cl)cc3)C(=O)CN21 5478454 QRKUKEPUHYSGSJ-JOCHJYFZSA-N 368.908 4.759 0 40 FJAB O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 6511624 MLBWYLRMCKZXMP-UHFFFAOYSA-N 359.665 4.774 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 6610331 WJMCRRHBIGYRMC-UHFFFAOYSA-N 374.440 4.502 0 40 FJAB Clc1ccccc1-c1noc(CSc2ncnc3sccc23)n1 7112877 KJFRIEUYYWZNMJ-UHFFFAOYSA-N 360.851 4.687 0 40 FJAB COc1cccc(CSc2nc(C(F)(F)F)nc3ccccc23)c1 7160759 WNVPSCRNIJJMNP-UHFFFAOYSA-N 350.365 4.950 0 40 FJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 8166614 MPPCZGZZUHNTAV-MHWRWJLKSA-N 359.834 4.585 0 40 FJAB COc1ccc(Nc2nc(COc3ccc(C(C)=O)cc3)cs2)cc1 8344289 HGGTZPOHZGKIPQ-UHFFFAOYSA-N 354.431 4.677 0 40 FJAB COc1ccc(CCNCc2ccccc2OCc2ccccc2F)cc1 8474543 ALAWIJYMADMZPE-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2cc([C@@H](C)CC)ccc2O)cc1 9064153 CDFOZLISKFSDTQ-ZDUSSCGKSA-N 356.491 4.595 0 40 FJAB CCCCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12 11565933 GSCUFTZUKNYREQ-UHFFFAOYSA-N 370.474 4.523 0 40 FJAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1Cc1ccccc1 11623388 JKSCXLZOACTGIC-UHFFFAOYSA-N 358.441 4.531 0 40 FJAB Cc1cc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)sc1C 12188140 GAAOTBUDYZBFDS-SFHVURJKSA-N 350.487 4.933 0 40 FJAB COCCn1c(SCc2cc(-c3ccccc3)on2)nc2ccccc21 12539428 MIXDRGFYPZNWQW-UHFFFAOYSA-N 365.458 4.630 0 40 FJAB COc1ccc(C)cc1NC(=O)c1csc(COc2ccc(C)cc2)n1 12821242 WJAJQMINFXRNDB-UHFFFAOYSA-N 368.458 4.600 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cs1 12993486 XTPPCLXLUIFIJR-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(C)ccc(C)c2s1 14258016 SYIGRHUZRJZMFY-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB CCCn1c(=N)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 19808866 VGRAKZPNYWFBCQ-UHFFFAOYSA-N 351.494 4.709 0 40 FJAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2OCc2ccccc2Cl)C1 20734287 DIJKDLQBIOCMKE-CQSZACIVSA-N 353.809 4.766 0 40 FJAB Cc1ccccc1Nc1nc(Nc2ccc(Cl)cc2)c2cnn(C)c2n1 21873517 DYIYLVUNFSSVCX-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB O=C(Cc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccccc1)CCC2 22088679 FHWGKCSXBCAYHB-UHFFFAOYSA-N 367.452 4.695 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2OC(F)F)cc1 22326367 PZLUZOYCDYTYIN-LVMGUKCRSA-N 373.399 4.674 0 40 FJAB CCc1cc2c(Nc3ccc(OC)c(OC(F)F)c3)ncnc2s1 24202610 WGRFROXFZSMFMF-UHFFFAOYSA-N 351.378 4.607 0 40 FJAB O=C(Nc1cccc(-c2nnco2)c1)c1sc2cc(F)ccc2c1Cl 24736849 CCMZLRGOZUXELG-UHFFFAOYSA-N 373.796 4.996 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25929405 WAIPZSLRLNQMSK-UHFFFAOYSA-N 357.413 4.882 0 40 FJAB C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(C(F)(F)F)cc1 29239855 XBSJUUQZFLFUOK-MRVPVSSYSA-N 362.145 4.552 0 40 FJAB COc1cccc2c1N(C(=O)c1ccc(-c3ccccc3)nc1C)CCC2 30574806 IZXSJCLEWKGXAY-UHFFFAOYSA-N 358.441 4.659 0 40 FJAB O=C(CSc1ccccc1F)Nc1cccc(OCc2ccccn2)c1 32922917 YOOOTZRCDIISJO-UHFFFAOYSA-N 368.433 4.531 0 40 FJAB CC(C)(C)[C@H]1CCc2c(sc(=N)n2CC(=O)c2ccc(Cl)cc2)C1 34172664 HRFUOUXUXLICCS-ZDUSSCGKSA-N 362.926 4.716 0 40 FJAB Cc1ccc2nc(C3CCN(C(=O)Nc4c(C)cccc4C)CC3)[nH]c2c1 35291868 FKYSBNIUMCADLE-UHFFFAOYSA-N 362.477 4.900 0 40 FJAB Brc1ccc(CNCC2(N3CCCCC3)CCCCC2)cc1 39792982 XNOOHFIBXNCRHC-UHFFFAOYSA-N 365.359 4.728 0 40 FJAB CCOc1ccc(-c2nc(N)cc(Nc3cccc(C(F)(F)F)c3)n2)cc1 49468067 CNFFNJBAMBXJCR-UHFFFAOYSA-N 374.366 4.887 0 40 FJAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 58184535 HNDDUXQKNZKCJY-GFCCVEGCSA-N 361.401 4.842 0 40 FJAB CCOc1ccc(OC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1 58406063 OORJFQKRIRHDNU-UHFFFAOYSA-N 368.458 4.803 0 40 FJAB COc1cccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 70461146 ZNVKIIHKAREHID-FQEVSTJZSA-N 367.832 4.683 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1Cl 72238559 ZJFIEHJPQRKOBK-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB O=C(CSc1ccc(Br)cc1)Nc1cccc2[nH]ccc12 84490417 CSVZOHYKDWYHDB-UHFFFAOYSA-N 361.264 4.661 0 40 FJAB COc1ccc(C[S@@](=O)C2CCCCC2)cc1SC(F)(F)F 95962105 CVFYYKORXDSUMQ-QFIPXVFZSA-N 352.443 4.889 0 40 FJAB c1ccc(-c2ccc3nc(C4CCN(Cc5cccs5)CC4)nn3c2)cc1 96038168 FLSIEGPDVDYVCC-UHFFFAOYSA-N 374.513 4.837 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc(C)c1Cl 113942823 HKDIYHVUTCIHOC-CYBMUJFWSA-N 352.261 4.694 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219375232 VYSFIXXXKZYHMJ-RTBURBONSA-N 367.489 4.879 0 40 FJAB CCN(CC)C(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224304792 XSPBPNXLPSFENB-UHFFFAOYSA-N 363.457 4.909 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 224969293 VSVOLPPKILQMJQ-LJQANCHMSA-N 356.441 4.612 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccccc2Cl)c1 225033414 HWNTZGVCTIJAHU-LJQANCHMSA-N 359.897 4.939 0 40 FJAB O=C(Cc1ccccc1F)NCCSCc1ccc(Cl)c(Cl)c1 225444980 UUMUORXEDOEXSG-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 225474898 KXUDZRVVQBAXMD-KRWDZBQOSA-N 351.874 4.980 0 40 FJAB CCc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1 225568391 MHRIYFDGBPYCCS-UHFFFAOYSA-N 356.535 4.955 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1ccccc1OCC 225624709 SPTFFSYICIEJBL-UHFFFAOYSA-N 372.534 4.793 0 40 FJAB CCCc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 225763290 NKEVONKMIIRLDD-YTIYSZQSSA-N 369.505 4.510 0 40 FJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cc(C)ccc2C)c1 225869458 SSUBVTUAKPLWFU-STZFKDTASA-N 374.440 4.614 0 40 FJAB CCc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 408594586 IRSRLXOEELDMLV-UHFFFAOYSA-N 353.274 4.683 0 40 FJAB Cc1ccc(COc2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 675031468 POHDBQCDDPBGRY-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB Cc1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1Br 1560876264 CQWFHKUUSDSOAK-UHFFFAOYSA-N 366.249 4.710 0 40 FJAB O=C1NCCc2c(N[C@@H]3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)cccc21 1664996704 YDYDBZCTZPSPCG-GOEBONIOSA-N 374.406 4.740 0 40 FJAB CC(C)N1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1 537935 XHOJAWVAWFHGHL-UHFFFAOYSA-N 370.924 4.789 0 40 FJAB world COc1c(Br)c(Br)c(C)c2c1[C@@]1(C)C=C[C@]2(C)O1 638672 QEXOPMVYGHTVNZ-UONOGXRCSA-N 374.072 4.559 0 40 FJAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl 854671 UWTXTJWEYKRBSW-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB Cc1cccc(-c2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)c1 1018218 FWGBHVNJZSWFSQ-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB CCOC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1082643 DSZNABIJXKRGSR-UHFFFAOYSA-N 359.425 4.634 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCSCC2)c1 2515310 VHBPWSWQRXCDPU-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1cccc(F)c1 3131906 HBJGIKWZQFTTGP-NVNXTCNLSA-N 362.813 4.585 0 40 FJAB CCc1ccc(-n2c(C)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 4675633 BPWXOIBBGFGDDF-UHFFFAOYSA-N 371.893 4.767 0 40 FJAB CC(=O)Oc1c(C)cccc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 4845045 RAOILABFKZPAQN-ACCUITESSA-N 361.397 4.564 0 40 FJAB COc1cc(OC)cc(-c2nnc(SCc3cc(C)ccc3C)o2)c1 5435477 MDJKFJGFYZUYEQ-UHFFFAOYSA-N 356.447 4.663 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)n2)cc1 5867302 DEODKCBFHZKJFE-HNNXBMFYSA-N 351.475 4.760 0 40 FJAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 6315684 WUDRAPSLHDMFJK-UHFFFAOYSA-N 368.296 4.682 0 40 FJAB Cc1ccc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 6566928 VDRJVJIINQHUEQ-QFIPXVFZSA-N 369.468 4.894 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c(C)c1 8105448 NMZMSGBMEIFMFW-MRXNPFEDSA-N 350.487 4.933 0 40 FJAB CN(C(=O)c1ccccc1OCCOc1ccccc1)C1CCCCC1 8158208 JPLUFILILLBDMM-UHFFFAOYSA-N 353.462 4.549 0 40 FJAB CCOC(=O)c1c(C)[nH]c(-c2nc(-c3ccc(O)cc3)sc2C)c1C 8297610 DLNQVCYFCJUDGN-UHFFFAOYSA-N 356.447 4.613 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C 9164794 DQPJFXXCLXSUOJ-UHFFFAOYSA-N 364.489 4.881 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1C 9320917 SCKTXDRDHXPYFV-HNNXBMFYSA-N 367.836 4.527 0 40 FJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCc1ccco1 9742987 CDGCVALMAURRTC-UHFFFAOYSA-N 367.257 4.569 0 40 FJAB CCOc1ccccc1CCCNC(=O)c1ccc(Cl)cc1Cl 10110848 BSQZCVVASHGSIM-UHFFFAOYSA-N 352.261 4.755 0 40 FJAB Cc1cc(NC(=O)c2ccc(CN3CCCC3)cc2)ccc1Br 10338993 UYCGCKSNWCSVQG-UHFFFAOYSA-N 373.294 4.606 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 10434113 MFBUWCUPYYTHKR-UHFFFAOYSA-N 352.659 4.982 0 40 FJAB CCOc1ccc(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OCC 12557338 XSIOSHFLXMBBOC-KRWDZBQOSA-N 370.493 4.848 0 40 FJAB O=C(c1cnccn1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 12775833 NTRKQBKRVNEVOF-UHFFFAOYSA-N 366.833 4.718 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@@]1(CCC[C@@H](C)C1)O3 13689347 JXRQKIJTOOYLDC-DMZKTXOQSA-N 354.446 4.968 0 40 FJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)s2)c(OC)c1 13989848 SVYFSHDHOCNOHF-UHFFFAOYSA-N 368.502 4.671 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 14022610 INPLEHBEDROHKL-UGSOOPFHSA-N 374.481 4.822 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)CCc1ccccc1 14399355 NJOCBCFFUDVCLE-MSOLQXFVSA-N 353.506 4.889 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1cc2ccccc2o1 14701489 FCGXRCQUNSURLW-GFCCVEGCSA-N 359.857 4.738 0 40 FJAB Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)c2n1 15835256 LESCNPVJIHPAND-AWEZNQCLSA-N 354.837 4.911 0 40 FJAB CC(=O)O[C@@H]1c2cc(Br)ccc2O[C@H](c2ccccc2)[C@@H]1C 16608265 HFTDLEDPSINFHJ-NBHSMZAVSA-N 361.235 4.823 0 40 FJAB CSc1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20043774 HBKALLBXOQQKNQ-MRXNPFEDSA-N 354.519 4.893 0 40 FJAB COc1ccccc1CN(C)C(=O)Cc1coc2ccc3ccccc3c12 21922788 UOINDPJESVPIEC-UHFFFAOYSA-N 359.425 4.796 0 40 FJAB O=C(Nc1ccc(Br)c2cccnc12)[C@H]1C[C@H]1c1ccccc1 27930473 RHLHUZHAGZEMBR-GJZGRUSLSA-N 367.246 4.740 0 40 FJAB COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(SC)cc3)cc2c1 29690708 IAPSEJUEVANBRP-UHFFFAOYSA-N 366.486 4.546 0 40 FJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1Cc2ccccc2O1 30316826 FFUNRRNUVRIWPH-DIFFPNOSSA-N 350.245 4.517 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccc(C)o3)n2)cc1 31802172 VCTMZVMRBZKRAI-VNDWYCCKSA-N 353.447 4.548 0 40 FJAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1OCC 40087399 KUKZUMGMOYXJKM-UHFFFAOYSA-N 370.380 4.530 0 40 FJAB Cc1cc(N(C)C)ccc1NC(=O)c1sc(-c2ccsc2)nc1C 40111707 PCVHLNFEFPUVIJ-UHFFFAOYSA-N 357.504 4.807 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 40995076 XIKKMUSDESCAOS-UHFFFAOYSA-N 359.853 4.868 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3Cl)n[nH]2)cc1 51315474 MMEQJYBPDLGOJK-UHFFFAOYSA-N 359.788 4.520 0 40 FJAB Cn1cccc1-c1csc(NC(=O)c2ccc(-c3ccccc3F)o2)n1 65578217 BQBPMCFXDGWLKO-UHFFFAOYSA-N 367.405 4.800 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 71763155 RMDSHMFCQQMUKD-HXUWFJFHSA-N 367.832 4.683 0 40 FJAB CN(CCc1cccc2ccccc12)C(=O)c1cc(-c2cccs2)on1 72064853 HCYYZARQAHEKRF-UHFFFAOYSA-N 362.454 4.871 0 40 FJAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CCCCC1 72215754 LYMPPUKKRPNPKA-SFHVURJKSA-N 359.514 4.970 0 40 FJAB Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348812 DAAOXGYLNRULDR-JOCHJYFZSA-N 357.501 4.755 0 40 FJAB Nc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Br 73634758 AHEOXDCGQIYJPG-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1cnc(Oc2ccccc2)nc1 77101360 PQGKMCAYJDINIJ-UHFFFAOYSA-N 370.796 4.575 0 40 FJAB Cc1ccsc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)c1ccco1 89702007 QRBNTLPZHWUGDK-INIZCTEOSA-N 354.406 4.780 0 40 FJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(F)c(F)c2)SC1 95477539 PJZDWCSOAPECGV-SFHVURJKSA-N 371.412 4.634 0 40 FJAB CCc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 101961581 LLPDEODMJJFTNF-KRWDZBQOSA-N 354.816 4.689 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(OC(C)C)c2)cc1 113970311 BDBKNGJUUQFPMZ-OAQYLSRUSA-N 355.478 4.510 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc2c(c1)CCCC2 223127631 COKCASAVHFBSPS-FCHUYYIVSA-N 351.490 4.990 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSc2ccccc2)c1 223388707 MUHXLQLXOKQROU-KRWDZBQOSA-N 357.519 4.794 0 40 FJAB O=C(CCc1cccc2ccccc12)NCC1(c2ccccc2)CCOCC1 223756141 HZSBMOINNKYADY-UHFFFAOYSA-N 373.496 4.637 0 40 FJAB CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)c(C)c1 225114878 TVOMYZWEEFERCC-NRFANRHFSA-N 351.490 4.829 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCC1 225157515 BOVAEUKUYYPNDE-FQEVSTJZSA-N 357.519 4.789 0 40 FJAB Cc1ccc(SCCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225587998 AGZYVHPPBKFQET-UHFFFAOYSA-N 352.475 4.742 0 40 FJAB O=C(C[C@H](c1ccc2c(c1)OCO2)[C@@H]1CCCCC1=O)c1ccccc1 226757398 DUIDZRXLUDFXJF-ZWKOTPCHSA-N 350.414 4.531 0 40 FJAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc2ncsc2c1 390827055 SUDBCSRELHWCOR-MRXNPFEDSA-N 356.497 4.939 0 40 FJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1Br 390830811 NOUXGROGQYOFGW-LBPRGKRZSA-N 358.235 4.556 0 40 FJAB Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 409028763 RUQKOEOOCOXTRA-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB Cc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccccc1 409197899 RNZLJUGFUUWSFB-LNVKXUELSA-N 366.530 4.706 0 40 FJAB Cc1cncc(CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c1 1596060477 LCQIOMKBPMWPBM-RTWAWAEBSA-N 350.506 4.801 0 40 FJAB Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2s1 630462 JUZLMBVWPRSVEE-UHFFFAOYSA-N 360.504 4.639 0 40 FJAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(cc12)CCCCCC3 663254 GGHSWFPWQAWSNR-UHFFFAOYSA-N 369.465 4.929 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)cc1C 892220 PCKBLDIOSKMDPJ-HNNXBMFYSA-N 367.474 4.781 0 40 FJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)C(C)(C)C)c2c1 993151 ANROUBVBKUHRRX-UHFFFAOYSA-N 361.441 4.982 0 40 FJAB CC1(C)C(=O)[C@]2(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC[C@H]1C2 1448504 PDTXSQCTLQNEOG-RDPSFJRHSA-N 361.485 4.611 0 40 FJAB COC1(OC)[C@@]2(Cl)C=C(c3ccccc3)[C@]1(Cl)C(Cl)=C2Cl 1701987 ZJISSEZHGZUVDT-KGLIPLIRSA-N 366.071 4.731 0 40 FJAB Brc1ccc(CSc2ccc(-c3ccncc3)nn2)cc1 4392067 WMEBHZMJZXOSTE-UHFFFAOYSA-N 358.264 4.593 0 40 FJAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccccc4)cc3)c2c1 4777224 DSZNGEKRTSTCNN-UHFFFAOYSA-N 370.452 4.816 0 40 FJAB CCc1cc2cccc(C)c2nc1SCC(=O)NCc1ccccc1 4849274 COHSOVGAUDWFEG-UHFFFAOYSA-N 350.487 4.514 0 40 FJAB Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 4965475 UWPHNGDAPORZQY-UHFFFAOYSA-N 371.868 4.531 0 40 FJAB COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)n[nH]c2=S)cc1 4973826 HZZIIMJGUMHLDL-UHFFFAOYSA-N 360.870 4.512 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(C)cc2)no1 5451533 LGEPDZOLOMRDIO-KRWDZBQOSA-N 354.381 4.585 0 40 FJAB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc12 6324897 BJHPCZHSFVEWOW-FOLIBTTPSA-N 368.502 4.938 0 40 FJAB CSc1nc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2s1 6508658 DVCDJHAKMOAPHX-UHFFFAOYSA-N 356.472 4.620 0 40 FJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 6979855 LWZNDTYZEZOHFW-UHFFFAOYSA-N 366.848 4.562 0 40 FJAB COCCNc1nc(-c2cc(C)n(CCc3cccs3)c2C)cs1 7643429 NKXKLUPZKVLOSZ-UHFFFAOYSA-N 361.536 4.591 0 40 FJAB Fc1cc(Br)ccc1Oc1ncnc2sc3c(c12)CCC3 7983919 XHNAGLQKHMWNQS-UHFFFAOYSA-N 365.227 4.874 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1C 9204446 KWJCHUBTUOCCAC-UHFFFAOYSA-N 355.459 4.566 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(Cl)ccc1Cl 12752999 HVQNKBXJZPXEKS-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB CCCCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nc(C)c1C 12778621 WMNSZSPJURSJEP-OAHLLOKOSA-N 363.502 4.867 0 40 FJAB Cc1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1Cl 13080340 RGRJUTLEXYEENH-UHFFFAOYSA-N 369.804 4.517 0 40 FJAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNCc1cccc(F)c1 19848723 ABRQTXWJOXUPCQ-UHFFFAOYSA-N 366.358 4.846 0 40 FJAB Cc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1 32899289 ZZPZWOYSTXRZHX-QFIPXVFZSA-N 370.408 4.652 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2C)c2c(C)nn(-c3ccccc3)c2n1 36611658 KNAJPXVYMSEXGB-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2ccccc2n1 40033544 BXBJHOPZEBCAPN-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 43781325 OXCQUKDMBDEMIN-UHFFFAOYSA-N 362.216 4.644 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44905817 XZCUHMYUXOJJOH-AZUAARDMSA-N 368.496 4.532 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2)n1 58369730 ZKAQFXNJIQFLIB-KRWDZBQOSA-N 365.452 4.521 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cc(-c2ccccc2)no1 58476849 UPMFYLYEUUTQLB-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 59474605 FBLPHIGGFQKBBQ-FQEVSTJZSA-N 351.833 4.868 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)n1cccc1 70636890 SZGZRBXBEMASDR-DEOSSOPVSA-N 366.464 4.983 0 40 FJAB Fc1c(F)c(F)c2c(c1F)[C@@H]1C=C(I)[C@H]2CC1 71785848 HILJQXZQYUOFET-CRCLSJGQSA-N 354.084 4.537 0 40 FJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414240 QGGSDHXUCXLWFN-UHFFFAOYSA-N 354.475 4.642 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1F)[C@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194639 FGRICAIZIHIJBY-DGNCOMPZSA-N 355.384 4.960 0 40 FJAB Cc1ccccc1NC(=S)NC(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 100871889 WZYIKJFOERHOFK-IJXDTGRPSA-N 356.535 4.805 0 40 FJAB Cc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 102581116 FQKAYBVQTSJLTK-LAUBAEHRSA-N 356.429 4.652 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 219533850 OSGOWRRWKFHEJC-HKUYNNGSSA-N 367.489 4.798 0 40 FJAB Cc1ccccc1CSCCNC(=O)COc1ccccc1C(C)C 222806357 NMRNBOFAORIYNS-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc2c3c(cccc13)CC2 224175091 MNOWNIMTMXXALO-UHFFFAOYSA-N 357.862 4.534 0 40 FJAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(C)c(C)c1 224293303 KBJQMKXGCOJQRT-UHFFFAOYSA-N 367.489 4.763 0 40 FJAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225066825 ZOTRDLOSSYCOBS-UHFFFAOYSA-N 369.486 4.842 0 40 FJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(OC(C)C)c1 225704940 KUTSQHKSNOVZAI-FQEVSTJZSA-N 370.518 4.846 0 40 FJAB Cc1cccc(CN2CCC[C@@H](c3cncc(Nc4ncccc4C)n3)C2)c1 257228476 FUAPRVVZKLARCY-HXUWFJFHSA-N 373.504 4.612 0 40 FJAB O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)c(Br)c1 409198805 LEDLASGYUYHJSN-UHFFFAOYSA-N 374.662 4.972 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(Cl)c1 629400 WEGCRKVJLITTDG-UHFFFAOYSA-N 353.834 4.969 0 40 FJAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 846076 NSQQKZMXKPAZFL-UHFFFAOYSA-N 355.802 4.943 0 40 FJAB Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 1425683 RSAGXERNARFIDG-UHFFFAOYSA-N 363.314 4.591 0 40 FJAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 2334992 IZNSZPNIPLORNP-AWEZNQCLSA-N 363.483 4.584 0 40 FJAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 2738559 PZISUFZAQFSTMP-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2C1 3180026 QKTLXKXWYLHCOG-UHFFFAOYSA-N 369.273 4.857 0 40 FJAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 3334955 JQWFDSXUURAGJY-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccccc1 4027161 PBQYOPSXQSMRGG-XMMPIXPASA-N 365.517 4.952 0 40 FJAB biogenic CCc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4540012 GODSLMLTPXFBJC-JOCHJYFZSA-N 371.436 4.956 0 40 FJAB O=C(COc1ccccc1Cl)Nc1cccc(Cl)c1N1CCCC1 4703814 GNOPHZIJKYEHGJ-UHFFFAOYSA-N 365.260 4.611 0 40 FJAB Cc1csc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)cn12 5083752 GMOIQRNQJWGVJL-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB COc1cccc(-c2cc(C(=O)Nc3ncccc3C)c3ccccc3n2)c1 5936233 OKLADRJQUWLDFP-UHFFFAOYSA-N 369.424 4.866 0 40 FJAB CCCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c1 6204730 MFWLNJZDKXZUAQ-UHFFFAOYSA-N 358.869 4.981 0 40 FJAB Cc1ccc2c(COC(=O)/C=C/c3ccccc3Cl)cc(=O)oc2c1 6790620 RULOYDYYHZOJCP-VQHVLOKHSA-N 354.789 4.511 0 40 FJAB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1C 6959690 ZQNDGLLJTBOYTH-UNOMPAQXSA-N 362.454 4.723 0 40 FJAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1c1ccccc1 7088084 QBSCSBHEOQUSHT-QFIPXVFZSA-N 366.424 4.643 0 40 FJAB CC(=O)Nc1cccc(N[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 7224505 CLUNRLNGPILNGR-QFIPXVFZSA-N 373.456 4.745 0 40 FJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1cccs1 7309964 BTIIOJJZJNYWST-LBPRGKRZSA-N 362.303 4.581 0 40 FJAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 7830657 WVEBOMCLBDCIHF-CYBMUJFWSA-N 372.490 4.855 0 40 FJAB CCc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 7920737 AXCFONRRAVVIBC-UHFFFAOYSA-N 360.442 4.568 0 40 FJAB COc1ccc(CN(Cn2nc(-c3ccccc3)oc2=S)C2CC2)cc1 8148367 ZFSYWZYUKUDQFL-UHFFFAOYSA-N 367.474 4.503 0 40 FJAB CCOc1c(Br)cc(CN[C@H](C)c2ccccc2)cc1OC 8253363 IUVSZMDMVGBGNC-CYBMUJFWSA-N 364.283 4.707 0 40 FJAB Cc1ccccc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 8392228 GZFJVDHOGMTHGL-UHFFFAOYSA-N 374.849 4.762 0 40 FJAB C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCc2ccccc21 9157539 YSJVNMHEINBUTM-AWEZNQCLSA-N 373.481 4.775 0 40 FJAB Cc1cccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)c(=O)[nH]c12 9192144 MXIQMPNFNQGEDV-UHFFFAOYSA-N 368.864 4.541 0 40 FJAB CCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1 10958970 OBKLCOSDQQVPMY-UHFFFAOYSA-N 359.351 4.706 0 40 FJAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3c(F)cccc3F)cc2)CC1 12550812 XJMHZPQCKCYGIM-OAHLLOKOSA-N 373.447 4.640 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1 12619474 MUSBEOMDPITMKX-UHFFFAOYSA-N 352.409 4.977 0 40 FJAB O=C(NCCOc1ccccc1)c1ccccc1-c1nc2ccccc2s1 12795330 FFUDZRNNZSMSGL-UHFFFAOYSA-N 374.465 4.772 0 40 FJAB Cc1ccc2ncc(C(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)n2c1 12901715 SDCBOKHLXKBIAQ-UHFFFAOYSA-N 363.461 4.502 0 40 FJAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccccc3)c2C)cc1 12949268 RACIISQNVWSQHT-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(C)cc2F)cc1 12975634 CXEJMNQWHBRMCE-OAQYLSRUSA-N 370.468 4.699 0 40 FJAB COc1ccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)cc1Cl 13732433 ICWQPWSDYNXJCX-UHFFFAOYSA-N 371.824 4.774 0 40 FJAB Cc1ccc(-n2ncc3c(Nc4cccc(C(F)(F)F)c4)ncnc32)cc1 17052458 NWJVUOWGPJXSIM-UHFFFAOYSA-N 369.350 4.886 0 40 FJAB C[C@H]1CC(=O)c2c(Nc3ccccc3)nn(-c3nc4ccccc4s3)c2C1 19817221 ACOUXNKANMPAER-CYBMUJFWSA-N 374.469 4.991 0 40 FJAB Cc1ccc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)cc1 19960636 PGUUZRAODGTIJO-UHFFFAOYSA-N 355.485 4.722 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(OC)ccc1OC 20485656 IUAODSHDGPODFB-HXUWFJFHSA-N 365.429 4.653 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)ccc1C)c1ccc(OC)cc1 20488123 VALVIKCDFCVMLI-VQTJNVASSA-N 355.478 4.737 0 40 FJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccc2ccccc12 22893588 ZSUPCNHKEBVJAR-UHFFFAOYSA-N 364.445 4.911 0 40 FJAB COc1ccc2nc(C)c(C(=O)Nc3cccc(Br)c3)cc2c1 25949742 TWQPKUOXKBLQOS-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB CCCc1nc(CSc2nnc3c4ccccc4n(CC)c3n2)cs1 26013320 AQIDZNWZCOTZPE-UHFFFAOYSA-N 369.519 4.701 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(Cl)cc1 30752161 YPHDWAOVYNHBNA-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB CCCC[C@H](C(=O)CCC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C 31829815 PZGMNYBOAPFXDZ-MRXNPFEDSA-N 351.874 4.659 0 40 FJAB O=C(CCSCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1 32779123 MLOYRBPGFLOYMO-UHFFFAOYSA-N 373.865 4.652 0 40 FJAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 36621155 HRGVDUOESXXHBB-FQEVSTJZSA-N 361.482 4.550 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 40056851 LNPHUQVNQJCIHW-INIZCTEOSA-N 359.429 4.511 0 40 FJAB CCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(F)ccc21 49001970 YSDFOKZUXNMWSD-UHFFFAOYSA-N 363.392 4.576 0 40 FJAB Cc1noc2ncc(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)cc12 55506545 PDUSZKWBBVFMJK-UHFFFAOYSA-N 371.824 4.758 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1 67190089 GSORHKKLTAYFHV-GYHWCHFESA-N 355.397 4.621 0 40 FJAB Cc1ccccc1NC(=O)CSc1ncnc2c(-c3ccccc3)c[nH]c12 71328107 QNHGOHPYOPFOKK-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB c1ccc(C2(c3nnc(Cc4cccc5ccccc45)o3)CCOCC2)cc1 75134652 SGLWLBISLDHLQA-UHFFFAOYSA-N 370.452 4.910 0 40 FJAB CC(C)(C)OC(=O)[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 95992691 AEZHCTXTTZSAOH-INIZCTEOSA-N 360.523 4.613 0 40 FJAB CCCCOc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1 102276467 NRKWWLVZMWXNCM-NRFANRHFSA-N 360.461 4.821 0 40 FJAB CCOCc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)[nH]c1C 158539145 SIRKYORUIJIOPG-UHFFFAOYSA-N 369.852 4.827 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)NCCCc2cccc(OC(C)C)c2)c1 218968534 LZQWVDJRCHWLOW-UHFFFAOYSA-N 369.505 4.527 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1cc(C)cc(C)c1C 224274156 YLPCOVPPBATSFZ-UHFFFAOYSA-N 367.489 4.872 0 40 FJAB CC(C)Oc1ccc(NC(=S)NCCSCc2ccccc2)cc1 225291178 DHSJTJUEHUVAIY-UHFFFAOYSA-N 360.548 4.694 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)CCCC2 225633212 VZRANMGZSYIRNR-FQEVSTJZSA-N 365.473 4.606 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(F)(F)F 225650617 MIJSQPZDDZKAMN-ZDUSSCGKSA-N 363.379 4.990 0 40 FJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C 408557135 LGYLOOFXLAEKSV-UHFFFAOYSA-N 367.898 4.971 0 40 FJAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 408562495 QEGOCPVCPKREJW-VZCXRCSSSA-N 356.878 4.939 0 40 FJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(Oc2ccccc2F)nc1 1270903594 ISWZFGXDOSCDNB-UHFFFAOYSA-N 374.774 4.987 0 40 FJAB COc1cc2c3c(c1)[C@@H](CC(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1740816401 DFFYCOUTFMELDN-LJQANCHMSA-N 361.441 4.594 0 40 FJAB CCOc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3C)c2)cc1 673237 GSJACNFINXKPIU-QGZVFWFLSA-N 353.462 4.679 0 40 FJAB Cc1cccc(OCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 848352 LAKZCFHPYXZUEK-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB CC(C)(C)[C@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 938360 KXMCQEYWQNQHCS-HNNXBMFYSA-N 352.503 4.657 0 40 FJAB CC1(C)CCCN(c2ncnc3c2sc(=S)n3-c2ccccc2)C1 1078448 HUIVZBWVEXQCJA-UHFFFAOYSA-N 356.520 4.838 0 40 FJAB O=S1(=O)C=C(SCc2ccc(Cl)c(Cl)c2)Nc2ccccc21 1406156 VPIQNUBBZKDYFR-UHFFFAOYSA-N 372.298 4.925 0 40 FJAB CCc1ccc(N2COc3c(Cl)cc4c(CC)cc(=O)oc4c3C2)cc1 2446729 LBLWSKNNRWKGML-UHFFFAOYSA-N 369.848 4.928 0 40 FJAB O=C(c1ccc(Br)cc1)c1ccc(CN2CCCCC2)cc1 2514505 OXJYMLITXZYWHU-UHFFFAOYSA-N 358.279 4.666 0 40 FJAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 4949271 ZXLFIXUAIBHNAN-JAURWZBKSA-N 373.412 4.704 0 40 FJAB Cc1cccc(-c2noc(-c3ccccc3C(=O)NC3CCCCC3)n2)c1 5556259 MIQRGCCQNFPBNQ-UHFFFAOYSA-N 361.445 4.775 0 40 FJAB Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1C 6886984 OUEXSGOGMIWODE-QFIPXVFZSA-N 372.468 4.803 0 40 FJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1 7883987 VZGJRLNXQSITFL-JOCHJYFZSA-N 358.441 4.770 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 7987887 ZFVBKRVKESSMNV-CQSZACIVSA-N 369.848 4.758 0 40 FJAB CCN(Cc1ccncc1)Cc1ccc(OC)c(OCc2ccccc2)c1 9849533 GRKOBHUYGYKMLJ-UHFFFAOYSA-N 362.473 4.691 0 40 FJAB Cc1cc2occ(CC(=O)Nc3ccccc3Br)c2cc1C 12911778 RSJJVBHSBPSJGT-UHFFFAOYSA-N 358.235 4.993 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 13674336 RSXHNFXXNQILLM-OAHLLOKOSA-N 357.475 4.599 0 40 FJAB ClC1(Cl)C[C@@H]1CSc1nnc(NCCc2cccs2)s1 14703858 NVEYXRHVKDSHDU-MRVPVSSYSA-N 366.364 4.540 0 40 FJAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(C)C 16439309 AQTZUUYCCLAIFS-WOJGMQOQSA-N 364.445 4.645 0 40 FJAB Cc1cccnc1[C@@H](Cc1ccsc1)NCc1c[nH]nc1C(C)(C)C 19237631 XWRUEOFVPQKUSQ-QGZVFWFLSA-N 354.523 4.546 0 40 FJAB Cc1nn(C)cc1CN1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 19583838 KNHJGEQYBMRCAQ-FQEVSTJZSA-N 368.456 4.640 0 40 FJAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccccc2C)c2ccccc2)cc1 22513467 MOXNWAQMENQLDE-XXBNENTESA-N 359.469 4.977 0 40 FJAB O=C(Nc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(F)cc2)c1 27920497 ZUXKLRHOZBAIMM-UHFFFAOYSA-N 360.392 4.868 0 40 FJAB COc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)c1 28908087 FJPIZGNHGUVEQL-INIZCTEOSA-N 362.429 4.927 0 40 FJAB Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1C1CC1 29300305 KBNKQHRVYWFVFE-UHFFFAOYSA-N 361.367 4.691 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 38856092 APPGOWJQSGFYEY-LJQANCHMSA-N 354.469 4.602 0 40 FJAB CCOC(=O)c1c(C)n(CCCCc2ccccc2)c2ccc(O)cc12 39379114 WOAUGXDWDKVAPZ-UHFFFAOYSA-N 351.446 4.855 0 40 FJAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)C(C)C)cc12 44165727 PXYAIPPDTWHFLJ-UHFFFAOYSA-N 364.445 4.904 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 44937003 SQRSQNPRJHIWRX-JOCHJYFZSA-N 361.489 4.757 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC(C)C)cc1 44946298 STIRDPJATXSHQJ-HXUWFJFHSA-N 355.478 4.564 0 40 FJAB O=C(COc1cccc(Cl)c1Cl)N1CCC[C@@H]1c1cccs1 48272756 HYDNYGSVCBHCTP-GFCCVEGCSA-N 356.274 4.797 0 40 FJAB O=C(Nc1cccc(Br)c1)Nc1cccc(Br)c1 51354351 BFHFAXGAEDMUDI-UHFFFAOYSA-N 370.044 4.856 0 40 FJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)c(OC)c1 71287312 PVIVSOUJSOHBSW-QGZVFWFLSA-N 373.478 4.607 0 40 FJAB CNc1ncccc1CN1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 72358218 LRJMSFYMMJDXQZ-QHCPKHFHSA-N 372.516 4.755 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 103061565 ZYSHFGYWSLCRKK-FDDCHVKYSA-N 363.505 4.791 0 40 FJAB Cc1c(CO)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Cl)cc1 216920510 OHKXXOFEGOTRPA-UHFFFAOYSA-N 357.837 4.593 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1 218931028 FNZAYVMMKSVNEU-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 218969297 LSCFGOCHDKCKNF-IBGZPJMESA-N 367.489 4.718 0 40 FJAB COC(=O)c1cn(C(=O)CCCOc2ccc(Cl)cc2)c2ccccc12 222605725 PNNRKEMGEDBXNA-UHFFFAOYSA-N 371.820 4.581 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(Br)c2)cc1 222871754 NTOIEJFRNKJACM-KRWDZBQOSA-N 362.267 4.808 0 40 FJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 222898288 YSYHKQGIKLZOOU-PMACEKPBSA-N 368.550 4.771 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1C 222966479 RFXVMVFPWAPRSM-LJQANCHMSA-N 369.461 4.585 0 40 FJAB Cc1cc(NC(=S)NCC2(c3ccccc3)CCCC2)ncc1Cl 223972144 JBQUKMQNMYCISZ-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(OC)cc2)c1 224603314 FYRINALCXQJMTM-MRXNPFEDSA-N 371.477 4.591 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882853 XETNNVCLQYPXGD-MRXNPFEDSA-N 367.367 4.998 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225139927 PIUSNBHKSWQUGQ-MRXNPFEDSA-N 369.461 4.619 0 40 FJAB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2ccco2)c1 855716 CLNNIRRHFIBVPS-UHFFFAOYSA-N 356.381 4.937 0 40 FJAB Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 1369061 XXVGWFVZUKVJCY-OALUTQOASA-N 369.534 4.764 0 40 FJAB COC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1438825 HKIFYLZRMKEKSL-OAQYLSRUSA-N 359.425 4.899 0 40 FJAB 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40 FJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C(C)C)C(C)C)c2n1 12483240 DCCHXOSHCIQWEJ-UHFFFAOYSA-N 369.292 4.874 0 40 FJAB CCCCCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 12519830 PAMKHJNUYGUGIG-UHFFFAOYSA-N 353.491 4.547 0 40 FJAB COc1cccc(Nc2nc(-c3ccc(CN(C)C(C)=O)cc3)cs2)c1 12533296 QOYJFWUIQGKDCB-UHFFFAOYSA-N 367.474 4.541 0 40 FJAB Cc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 12627381 XCPSBJOLCPFBBZ-NRFANRHFSA-N 369.468 4.596 0 40 FJAB CCOc1ccc(Nc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1OC 12651571 YXCBDSJCAAJESZ-GFCCVEGCSA-N 369.490 4.967 0 40 FJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 12751251 GDQWSDRVTJWXKN-KRWDZBQOSA-N 362.473 4.616 0 40 FJAB CN(Cc1c(F)cccc1Cl)CN1C(=O)c2cccc3cccc1c23 13000044 PQKANNJMKNVSGI-UHFFFAOYSA-N 354.812 4.682 0 40 FJAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 13041808 RGTGAWWAKUTIAY-UHFFFAOYSA-N 372.896 4.705 0 40 FJAB COc1ccc(-c2ccccc2)cc1NCc1cc2ccccc2[nH]c1=O 13086666 STEDNJNUKHMFOB-UHFFFAOYSA-N 356.425 4.816 0 40 FJAB COc1ccccc1CN(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 18076637 ZWTRSFYHJWCULI-UHFFFAOYSA-N 365.404 4.899 0 40 FJAB COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1O 20552112 STZIMHGHAYWAKG-UHFFFAOYSA-N 356.647 4.737 0 40 FJAB CCOCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 21633545 WUIFKGNOQALROD-UHFFFAOYSA-N 353.340 4.503 0 40 FJAB CCCc1noc(COc2c(Cl)cc(Cl)c3ccc(C)nc23)n1 29410594 XNIRNXPGSSFWGO-UHFFFAOYSA-N 352.221 4.765 0 40 FJAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1C(F)(F)F 32776614 LANZSXOVZWCBFM-OAHLLOKOSA-N 365.351 4.516 0 40 FJAB Cc1nc(CSCCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cs1 32809486 KZDQUXDVVVNNIU-GFCCVEGCSA-N 368.955 4.948 0 40 FJAB O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 33661361 WLYWHDMFGCNWJB-UHFFFAOYSA-N 366.486 4.631 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccc(Cl)cc1 36366179 WVAGXUJIXTVZNZ-HNNXBMFYSA-N 353.809 4.658 0 40 FJAB COc1ccc(CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1F 40097821 BYUOGYMZEZPHRW-UHFFFAOYSA-N 356.319 4.517 0 40 FJAB CCCCN1C(=O)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21 55142560 HKHQXIBVZUVHBL-UHFFFAOYSA-N 373.452 4.579 0 40 FJAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@@H]1COc2ccccc21 71844120 NPVCPPSILMJYBH-LJQANCHMSA-N 364.376 4.873 0 40 FJAB CCN(C(=O)Nc1cccc(OC)c1)[C@H](Cc1ccc(C)cc1)C1CC1 72303862 VEXOIWGCTJKPPS-OAQYLSRUSA-N 352.478 4.879 0 40 FJAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)cc1 72349628 KOGFQIYWLRGOOL-LJQANCHMSA-N 364.489 4.653 0 40 FJAB CC[C@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)c1cnn(CC)c1 75104797 PHUVTJSYIJCGKE-FQEVSTJZSA-N 364.449 4.968 0 40 FJAB CSc1ccccc1C(=O)N(CCc1cccs1)Cc1cccnc1 75154742 BRSZCELRDITIHF-UHFFFAOYSA-N 368.527 4.750 0 40 FJAB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 82252813 LBLSNIQOFYPHGR-LPYMAVHISA-N 365.364 4.759 0 40 FJAB O=C(NCc1cccs1)c1cc2c(OCc3ccccc3)cccc2[nH]1 96096698 QHUSCNMNUCBHET-UHFFFAOYSA-N 362.454 4.738 0 40 FJAB C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ncc(Cl)cc1Cl 97050203 JTYSTZDVZNYJCH-SECBINFHSA-N 364.681 4.718 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100768891 WUYKWGBQZCUCIQ-FPAYPSAMSA-N 353.849 4.522 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC(C)C)cc1)CC(C)(C)O2 218985078 KUQSAMQZFSQZNL-LJQANCHMSA-N 353.462 4.814 0 40 FJAB Cc1cccc(CSCCNC(=O)COc2ccccc2C(C)C)c1 222805746 MFDNYRFWVQZOIR-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225012037 MVDIHFRPQVXHBA-OALUTQOASA-N 368.550 4.553 0 40 FJAB CCOc1ccccc1NC(=S)NCCSCc1cccc(C)c1 225336776 UKUGALGOOHLFMN-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CC(C)[C@H]1O[C@H]2c3cc(C(C)(C)C)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257213786 CJBHHHLHLZAYCV-RWQQGDIJSA-N 360.494 4.958 0 40 FJAB O=C(NCCc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccccc2)cc1 524734821 QNGFNBPRWQWPEA-UHFFFAOYSA-N 372.428 4.719 0 40 FJAB Fc1ccc([C@H]2CC[C@@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 528084077 UNOKYQAWJSQGTQ-MSOLQXFVSA-N 364.424 4.532 0 40 FJAB Brc1ccccc1OCOc1ccccc1Br 2362803711 ADXDYWOSRPBYLJ-UHFFFAOYSA-N 358.029 4.627 0 40 FJAB COc1cccc(C(=O)CSc2nc(C(C)C)nc3ccccc23)c1 1343010 QKBYQLZBPWXPCT-UHFFFAOYSA-N 352.459 4.737 0 40 FJAB Cc1cc2nc([C@@H](Cc3ccccc3)NC(=O)c3ccccc3)[nH]c2cc1C 1385871 BRMZPKJHKWYMCX-JOCHJYFZSA-N 369.468 4.894 0 40 FJAB Cc1ccc([C@]2(O)c3cccc4cccc(c34)[C@@]2(O)c2ccc(C)cc2)cc1 1654131 HBACSMCHIMYSID-UIOOFZCWSA-N 366.460 4.942 0 40 FJAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2)c(=O)c2ccccc2n1C 2228794 PXKMYKWQLMFDLA-UHFFFAOYSA-N 368.436 4.766 0 40 FJAB COc1ccc(-c2ccc(-c3noc(-c4ccc(C)cc4)n3)c(OC)n2)cc1 2402901 LWMGOLRERFCQAW-UHFFFAOYSA-N 373.412 4.791 0 40 FJAB CC(C)Sc1nc(N2CCCC2)c2c3c(sc2n1)COC(C)(C)C3 2425805 APHQFIMHBPYLFX-UHFFFAOYSA-N 363.552 4.643 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(Br)c(C(F)(F)F)c1 2651589 VOQCXAQIXNKKJM-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB CCNc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12 3434611 BRYADXWQXOCNNO-UHFFFAOYSA-N 352.507 4.776 0 40 FJAB CC[C@H](C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C)c1ccccc1 4033107 MMKVSTHRRPPGIO-IBGZPJMESA-N 370.456 4.837 0 40 FJAB Cc1ccn2cc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)nc2c1 4370820 KCQXHFYTCYSWNI-KPKJPENVSA-N 353.425 4.962 0 40 FJAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4o3)c2C)no1 5034447 OMASRHZTUWCIIE-UHFFFAOYSA-N 367.430 4.507 0 40 FJAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 5142040 ROLWUWAAJZCRGY-UHFFFAOYSA-N 369.833 4.785 0 40 FJAB COc1ccc(NC(=O)CCC(=O)OC2CCC(C(C)(C)C)CC2)cc1 5229768 VTBXPCVTFDIDDZ-UHFFFAOYSA-N 361.482 4.562 0 40 FJAB C[C@H](SCCCCCCCCCCS[C@@H](C)C(=O)O)C(=O)O 5519572 MBVHGSSDZDDVJS-KBPBESRZSA-N 350.546 4.520 0 40 FJAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2c(F)cccc2F)cc1 5535601 BSCAGHWNHLHXOR-UHFFFAOYSA-N 367.351 4.574 0 40 FJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2ccccc2c1 6063959 ATZPPJTUPKCLJM-UHFFFAOYSA-N 363.457 4.538 0 40 FJAB CCc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1cccs1)=N2 6844121 YPAYLINNWGRZIA-UHFFFAOYSA-N 361.470 4.753 0 40 FJAB CSc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 7127918 REOYAYGQQPZZKD-UHFFFAOYSA-N 368.483 4.975 0 40 FJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cccc(Cl)c1 7580264 DOSHQYZQCHFPJA-UHFFFAOYSA-N 360.866 4.635 0 40 FJAB CCCOc1c(OCC)cccc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886161 TVHSFKLUGBTVMS-OAQYLSRUSA-N 366.461 4.603 0 40 FJAB CNCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 8376923 DLLQXHXNBUYZKP-UHFFFAOYSA-N 368.908 4.771 0 40 FJAB Cc1ccc(-c2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)on2)cc1 8869067 ZNLYLUSXIBSBMU-UHFFFAOYSA-N 364.445 4.965 0 40 FJAB c1ccc(-c2ccc(-c3nn4c(-c5ccccn5)nnc4s3)cc2)cc1 9052290 FYFZCQAGOLVUIU-UHFFFAOYSA-N 355.426 4.582 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccccc3C)cc2c1 9461678 WYFQLOOIASISPA-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB O=C1CCCN1c1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 9740933 SIMJHYCZKUBIBC-UHFFFAOYSA-N 373.334 4.568 0 40 FJAB C[C@@H](CNC(=O)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F 10638797 NWHMHUVQYXQQIZ-LBPRGKRZSA-N 369.371 4.711 0 40 FJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12852409 GIWACTWOLHESBZ-VIFPVBQESA-N 364.442 4.949 0 40 FJAB CC(C)(C)n1ccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 14001560 IDQUYRLKDSSECS-UHFFFAOYSA-N 368.500 4.671 0 40 FJAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2)o1 15881554 ARBLANUJABHSMZ-UHFFFAOYSA-N 374.444 4.529 0 40 FJAB CC[C@H](NC(=O)c1oc2cc(C)ccc2c1C)c1c(C)nn(CC)c1C 19500418 RZVYVFXRNRRQFB-KRWDZBQOSA-N 353.466 4.764 0 40 FJAB C[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(Cl)cc1 20042295 RJTWTHQRYFNNLV-HNNXBMFYSA-N 353.849 4.919 0 40 FJAB CN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 22507076 HJUGHMXZEZEVSY-UHFFFAOYSA-N 364.232 4.546 0 40 FJAB CCc1c(C(=O)OC)c2cc(OC)ccc2n1Cc1cccc(Cl)c1 22996552 MSQQCAPQFQMYSY-UHFFFAOYSA-N 357.837 4.701 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1coc(-c2cccs2)n1 27194908 VQGSEJOCQURPLZ-ZDUSSCGKSA-N 370.499 4.614 0 40 FJAB COc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1C 27740806 NTLATXPRIHLTPC-UHFFFAOYSA-N 365.433 4.603 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)Cc1csc(-c2ccccc2)n1 30549586 ZHSCWAKPADOTIH-ZDUSSCGKSA-N 354.500 4.560 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2Cl)c1 32610144 MKOYLHGZQVDMPH-JTQLQIEISA-N 354.233 4.502 0 40 FJAB CC(C)C[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 32847916 YVEPBMMZQPYBIY-ZDUSSCGKSA-N 371.349 4.828 0 40 FJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)NC(C)C 36646042 XIFLUVPRBJEJTG-UHFFFAOYSA-N 366.870 4.775 0 40 FJAB O=C(/C=C/c1cccs1)OCc1cc(-c2cc3ccccc3o2)on1 38768065 UUNNQJJUHMMZMR-BQYQJAHWSA-N 351.383 4.906 0 40 FJAB O=C(NCCSC1CCCC1)c1cc(Br)ccc1Cl 40082541 TYRFTOABUGYXRZ-UHFFFAOYSA-N 362.720 4.508 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2Cl)c1 40096596 FALSLIPFCJWOGM-JTQLQIEISA-N 366.248 4.835 0 40 FJAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc(C)c1Cl 44836722 UTDDZTBJZOAXQW-UHFFFAOYSA-N 372.679 4.959 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1 51139486 OPESNPUXMOGDSK-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Cl)nc1Cl 60246209 YLGWNJOHQNNLQK-UHFFFAOYSA-N 374.065 4.736 0 40 FJAB COc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c(OC)c1 67339218 YNTGNQOBJISTNK-VMPITWQZSA-N 357.793 4.755 0 40 FJAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72219249 WKXAFQKOWPQAFD-GOSISDBHSA-N 359.514 4.842 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Br 95411145 NMSVZALIQWWFKN-UHFFFAOYSA-N 369.218 4.889 0 40 FJAB CSc1nn2c(C)cc(C)nc2c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 96319425 WNORINSLOYEVLY-UHFFFAOYSA-N 369.881 4.779 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 222574825 HSLAOFNEFOLHMA-INIZCTEOSA-N 371.786 4.833 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 222976939 LWRXFTCVBVBKJF-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 223445195 XKSLHYNSAJVNQE-UHFFFAOYSA-N 351.833 4.816 0 40 FJAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc2O1 223658438 OGIDDKDMJMIODQ-UHFFFAOYSA-N 367.470 4.744 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)s2)cc1 223926399 XQFFNHRKIQDREX-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB CCC1(CC)C[C@H](NC(=O)c2cccc(OC)c2OC)c2ccccc2O1 225050972 OLIFXPDQGVCRDU-KRWDZBQOSA-N 369.461 4.516 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)c1 225176785 FTXYVRKLUJISOB-IBGZPJMESA-N 369.505 4.698 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(F)cc1F 225678375 HRGXCQBTFCGFSL-INIZCTEOSA-N 362.445 4.862 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(C)c1)CC(C)(C)O2 225680644 VLDMPSJGWGYVBC-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c2cccnc12 225708987 YUYQNTSQUMYLEI-HNNXBMFYSA-N 365.502 4.908 0 40 FJAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 408629102 ZIDRWUKXSURKBY-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CC(=O)N1CCCCCCN(C(=O)CCC2CCCC2)Cc2ccccc21 2037884744 BMZSAHYPYNBLBJ-UHFFFAOYSA-N 370.537 4.913 0 40 FJAB Fc1ccccc1[C@@H]1SCCN1C(=S)Nc1ccc(Cl)cc1 716951 FMKYSKSHPOIZQY-HNNXBMFYSA-N 352.887 4.924 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Br 1095892 AOZLVTBXEFAEQU-UHFFFAOYSA-N 370.699 4.974 0 40 FJAB COc1ccccc1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1 2395764 SLOVBRVGJARESR-UHFFFAOYSA-N 364.474 4.826 0 40 FJAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3)sc2c1 3322543 OZHUOAZMBQCLFF-LBPRGKRZSA-N 358.488 4.814 0 40 FJAB Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1 3655958 UDKHWXNIOAFDGD-UHFFFAOYSA-N 372.424 4.721 0 40 FJAB CCCCCCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 4027346 PQMYGHGVVROBIB-UHFFFAOYSA-N 360.457 4.742 0 40 FJAB biogenic CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1 4144086 XLOJOFCNWNGSGN-UHFFFAOYSA-N 371.512 4.941 0 40 FJAB aggregator O=C(NCCc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1 4599372 BCRHMFRSKZLCSG-LCUIJRPUSA-N 368.436 4.638 0 40 FJAB CC(=O)N1c2ccc(Cl)cc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4673033 QBXGGISCYWWRKD-RNODOKPDSA-N 356.853 4.579 0 40 FJAB CCOC(=O)CN(N=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 5103617 NLGJWTUTGWUJSN-UHFFFAOYSA-N 374.440 4.525 0 40 FJAB Cc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1C 5137113 XARHJZRGDMRGPA-UHFFFAOYSA-N 368.477 4.847 0 40 FJAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Cl)ccc1Cl 5441640 PIAFVDQASJZDHO-UHFFFAOYSA-N 363.244 4.763 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1n[nH]c(COc2ccc(Cl)cc2)n1 5721515 ITZMCFOWOCHJAQ-UHFFFAOYSA-N 366.808 4.668 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 5749886 JZVWHTQAXVEYKL-UHFFFAOYSA-N 368.260 4.945 0 40 FJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 5852874 NZJCXECKQLBPRV-UHFFFAOYSA-N 359.882 4.919 0 40 FJAB COc1cc(C(F)(F)F)nc(Sc2cccc(Cl)c2Cl)n1 6641960 ZOKBNPPRNJVRSR-UHFFFAOYSA-N 355.168 4.962 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc21 9377872 LRVZFPDZWOGDLM-UHFFFAOYSA-N 356.429 4.932 0 40 FJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3)C[C@H]21 10215587 RDJURAGCWKLQLE-GCJKJVERSA-N 360.413 4.921 0 40 FJAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 11314593 ZCLYRRMSBKLFHT-FOIQADDNSA-N 350.462 4.804 0 40 FJAB CCCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccncc2)cc1 12144393 KGEYMWDLFHSCJE-UHFFFAOYSA-N 374.488 4.745 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3ccco3)no2)cc1 12185309 KRKIBKXDISVGJR-SFHVURJKSA-N 366.417 4.701 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1 12545200 QGIYEMYHMAXOJQ-SECBINFHSA-N 364.232 4.882 0 40 FJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12578533 WATPKWQHYRYOOI-XSFOEPMVSA-N 369.827 4.732 0 40 FJAB Cc1ccc(C)c(-n2c(S)nnc2COc2cccc3ccccc23)c1 13535136 WJOIAYVFKNNXCZ-UHFFFAOYSA-N 361.470 4.905 0 40 FJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)c1C 13771013 NLUVQDPHVUGNTF-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB CC(C)(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 14092734 XDNARHPUDPPKQX-NRFANRHFSA-N 370.880 4.605 0 40 FJAB FC(F)Oc1ccccc1CSc1nnc(NCc2ccco2)s1 14141725 NUPNWBVOFVBBDT-UHFFFAOYSA-N 369.418 4.637 0 40 FJAB O=C(Nc1cccc(Br)c1)c1ccc(N2CCCCC2)cc1 14400935 GLCZWVZHAAWSNC-UHFFFAOYSA-N 359.267 4.692 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCC 16029867 GWMPAAGDQMTMBZ-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 17247800 YEPYGQURCBUQMX-UHFFFAOYSA-N 364.489 4.926 0 40 FJAB Cc1nn(C)cc1CN1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19583852 VZJTUEDUXLALDI-HXUWFJFHSA-N 368.456 4.640 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 20452833 NMTKUNGAMXQTCU-LIRRHRJNSA-N 361.869 4.774 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(=O)ccc2c1 21595452 WRTNBMYPPGJGNN-FMIVXFBMSA-N 357.365 4.705 0 40 FJAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(C)c(C)c2)cc1 27795710 KUNSUPWOGCMKEF-UHFFFAOYSA-N 365.429 4.517 0 40 FJAB Cn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(Cl)ccc21 28294764 VSDXWZQETYSUIN-DYTRJAOYSA-N 358.894 4.932 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccccc2F)o1 40128026 JVECKVJZONPVPU-AWEZNQCLSA-N 351.377 4.589 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC=C(c2ccc(O)cc2)CC1 43159784 SVNUNRWVBVWPFT-UHFFFAOYSA-N 362.351 4.732 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1Cl 44900072 IKZGNIIQLGDQRC-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB O=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57412618 DGQKTETUHLHABG-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C(=O)O 59314571 WQLZOJALDQSYAI-UHFFFAOYSA-N 370.792 4.562 0 40 FJAB COc1cc(Nc2cc(C)nc3c(F)cc(F)cc23)cc(OC)c1OC 65090614 HSRDSJIXURJYGA-UHFFFAOYSA-N 360.360 4.591 0 40 FJAB O=C(CC[C@H]1CCCO1)N[C@@H](CCCc1ccccc1)c1ccccc1 69924723 VWMAEZURCZCFOI-YADHBBJMSA-N 351.490 4.826 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1C[C@H]1c1ccc(F)cc1 69974774 AQPIMAOTCWXTBQ-HOTGVXAUSA-N 356.397 4.831 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1CC(O)=Nc2c1cnn2C(C)C 71283142 HLFGAFSUXZQNSQ-INIZCTEOSA-N 367.428 4.529 0 40 FJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NC1CCCC1 72403551 NCQIRYCMTFWOEQ-HNNXBMFYSA-N 356.293 4.564 0 40 FJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1C 103716730 MLMICABISACCHF-QGZVFWFLSA-N 364.489 4.593 0 40 FJAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 106697223 SQYAWYWSBJZGAA-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 222564726 SGPZPWZAVFCXMK-UHFFFAOYSA-N 355.747 4.587 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222977386 RMNMGATXFXQJGU-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C 223507691 VTXCRPXDKWDVKY-HNNXBMFYSA-N 365.395 4.887 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)c2ccc3c(c2)CCCC3)cc1 225631950 UXAQQLTVZVZTIW-UHFFFAOYSA-N 351.490 4.715 0 40 FJAB CN1Cc2ccccc2OC2(CCC(N(C)CC3CCCCC3)CC2)C1 257330841 XQGDBMHOSHNQPY-UHFFFAOYSA-N 356.554 4.704 0 40 FJAB COc1cccc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cn2)c1 408600321 BLFKLASXEYUNSF-YRNVUSSQSA-N 364.376 4.674 0 40 FJAB COc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1C 408804660 GHIIGDMBNCMSSI-UHFFFAOYSA-N 373.885 4.728 0 40 FJAB O=C(Nc1nccs1)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 517357795 OFXWDUVIRNCMNO-HNNXBMFYSA-N 362.426 4.893 0 40 FJAB CCn1c(NC(=O)[C@H](C)c2c(Cl)cccc2Cl)nc2cccnc21 647086547 YCPPFLYDBFJIEX-SNVBAGLBSA-N 363.248 4.500 0 40 FJAB c1ccc2[nH]c(CNc3nccnc3NCc3cc4ccccc4[nH]3)cc2c1 680954838 MKDOAHSQFYZFBV-UHFFFAOYSA-N 368.444 4.663 0 40 FJAB Cc1ccc2c(c1)[C@H]1NC(=O)N(Cc3cccs3)[C@@]3(CCCC[C@H]13)O2 1615059058 UVGFAGLNWJVWBQ-POAQFYNOSA-N 354.475 4.602 0 40 FJAB Oc1ccc(-c2nnc(SCc3ccccc3)n2Cc2ccccc2)cc1 882876 KKESKLIUQMJMMY-UHFFFAOYSA-N 373.481 4.991 0 40 FJAB Fc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1 904274 BLHRPSWJFKSTCS-UHFFFAOYSA-N 362.433 4.761 0 40 FJAB OCCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\c1ccccc1 1065174 KPLSASQZMBENHL-JZJYNLBNSA-N 365.285 4.748 0 40 FJAB O=C(NC1CCCCC1)Oc1cc(Cl)c2oc(=O)sc2c1Cl 1090476 VWMHKIUFTZQXRX-UHFFFAOYSA-N 362.234 4.582 0 40 FJAB CC(=O)N(C(C)=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 1604159 BQASGRHVSAULJE-UHFFFAOYSA-N 372.468 4.793 0 40 FJAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC[C@@H]1CC=CCC1 2192237 NGINITOKUQXUHX-CQSZACIVSA-N 352.400 4.863 0 40 FJAB COc1cccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 2430153 SJTSAXNJFQUIPN-UHFFFAOYSA-N 374.469 4.630 0 40 FJAB C[P@@](=O)(Nc1cc(Cl)ccc1Cl)c1nc2c(s1)CCCC2 3176271 MRSIKSVJDWLWLL-FQEVSTJZSA-N 361.234 4.974 0 40 FJAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2)cc1Cl 3377658 APTUYJDWICPBMR-IBGZPJMESA-N 358.869 4.514 0 40 FJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1cncc(Br)c1 3584617 KUCQHIXSSWRNCO-UHFFFAOYSA-N 353.219 4.763 0 40 FJAB CCCCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681980 ZRXXADOPLYZUPM-GOSISDBHSA-N 352.478 4.684 0 40 FJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 4979453 OVOYWHQIIPVUSE-SUYBPPKGSA-N 370.848 4.640 0 40 FJAB Cc1ccc(C)c(CSCC(=O)Nc2ccccc2Br)c1 7150125 SYMAWPBUMBMHSW-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CC(C)COc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 8613216 BIGDYHAEDOBLGJ-OAQYLSRUSA-N 372.553 4.592 0 40 FJAB C[C@@H]1C[C@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)o1 9595267 CWPUUEVQCULTTL-NSODJVPESA-N 350.340 4.532 0 40 FJAB CSc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9613715 LCWDNMYEUIQTSB-CYBMUJFWSA-N 357.454 4.791 0 40 FJAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10503792 JOAREQMNLHXWTO-QGZVFWFLSA-N 361.489 4.880 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CSc1cc(-c2ccccc2)ncn1 12016625 ZHVUDMHEXYLHFH-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB c1ccc(-c2cc3c(-n4ccnc4)nc(-c4ccccn4)nc3s2)cc1 12548116 UATLFSKRXRMCCQ-UHFFFAOYSA-N 355.426 4.606 0 40 FJAB Clc1ccccc1-c1nc(CSc2nccn2-c2ccccc2)no1 12793864 ZAAUCVHVDGDPBO-UHFFFAOYSA-N 368.849 4.868 0 40 FJAB CCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13041708 NKKPJLGJZDAMAJ-UHFFFAOYSA-N 363.788 4.722 0 40 FJAB Clc1ccc(OCc2nnc(-c3cccs3)o2)c(Br)c1 14183084 PZLUKHPPAREPAX-UHFFFAOYSA-N 371.643 4.793 0 40 FJAB CSc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 15010904 NXTXQVOXTNTZPK-LGMDPLHJSA-N 371.483 4.524 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)NCc3cccc(Cl)c3)o2)cc1 16706114 LQGBGNCJZQFEEJ-UHFFFAOYSA-N 369.848 4.858 0 40 FJAB Cc1ccc(-c2nnc(C3CCN(Cc4ccc(F)cc4)CC3)o2)s1 19217840 WPRYUXUWJFNTOM-UHFFFAOYSA-N 357.454 4.625 0 40 FJAB CCCn1ccnc1SCc1c(-c2ccccc2)nc2sccn12 24762847 NKDPENGQVHCRLW-UHFFFAOYSA-N 354.504 4.962 0 40 FJAB C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccccc1F 32794963 AIIKRECROMOBRF-LBPRGKRZSA-N 354.347 4.747 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C 32854799 XTLLCGYIVDJAHB-UHFFFAOYSA-N 368.433 4.518 0 40 FJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccn(-c2ccccc2)n1 32977171 CUCFFZBXLHCZRD-UHFFFAOYSA-N 369.424 4.704 0 40 FJAB CCCCc1ccc(C(=O)c2ccccc2I)cc1 37355172 FCPAMLRSRUINCM-UHFFFAOYSA-N 364.226 4.865 0 40 FJAB COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)c2ncccc2c1 38490533 HPIJFHAENILOEH-UHFFFAOYSA-N 361.323 4.906 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccccc1Cl 40266668 NLTWPGFGTROQMV-ZDUSSCGKSA-N 353.809 4.658 0 40 FJAB O=C(NCc1ccoc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 53039540 WUSQHAHRLHVTNC-UHFFFAOYSA-N 362.360 4.671 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cccs1 57508794 HJXQGDGZILXMRK-QRWLVFNGSA-N 368.477 4.902 0 40 FJAB COc1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1 72229591 WMDQGSQFFPRQRX-UHFFFAOYSA-N 373.884 4.928 0 40 FJAB Clc1ccccc1CN1CCC[C@H]1c1cccc(Nc2ncccn2)n1 72375114 JLLTYITXWHPEQA-SFHVURJKSA-N 365.868 4.606 0 40 FJAB CCOc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1C 95097209 NYPYGJGSPRRGLG-UHFFFAOYSA-N 374.506 4.525 0 40 FJAB COc1cc(Cl)ccc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 95381744 MXECJIUWIJYAAC-UHFFFAOYSA-N 373.815 4.543 0 40 FJAB CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)C1 96122328 FSOPHDPQHDMDLX-HXUWFJFHSA-N 367.493 4.853 0 40 FJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1[N+](=O)[O-])CCC2 96766290 UGFBBKZLHWSANR-OWBHPGMISA-N 360.369 4.718 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 113970434 NAVMBGHBPWYAJD-PMACEKPBSA-N 355.478 4.737 0 40 FJAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(OC)c(OC)c1 220020048 RSKYKCFLXWCKEQ-KRWDZBQOSA-N 361.869 4.557 0 40 FJAB CC(C)(C)c1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1 224039448 VCQSBQZMNXTZJA-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224611012 ZBTZBQXRYISYNG-SFHVURJKSA-N 360.457 4.695 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3C)o2)cc1 224856476 KXDHDBFEGJFCNR-UHFFFAOYSA-N 364.445 4.928 0 40 FJAB Fc1c(F)c(F)c(-c2nc3cc(-n4cccc4)ccc3o2)c(F)c1F 226248593 XXWUMWSIOGEGKW-UHFFFAOYSA-N 350.246 4.981 0 40 FJAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Br)cc1F 228963871 VWHCVHGUWHAYRH-UHFFFAOYSA-N 358.129 4.954 0 40 FJAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCN(CC3CC3)C2)n1 257215472 CQGIOKKGDFFRJC-QGZVFWFLSA-N 356.539 4.796 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1 257294847 QVZNAGNJKYBEOY-FQEVSTJZSA-N 372.468 4.826 0 40 FJAB Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 272426336 IHMSENBBUDCDKT-SECBINFHSA-N 358.392 4.514 0 40 FJAB Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)c2ccc(C(F)F)nc2)cc1 657904481 TVEHFKNABFMWTK-KBPBESRZSA-N 356.420 4.925 0 40 FJAB CCc1ncnc(NCCc2ccc(Oc3ccc(F)cc3)cc2)c1F 1307074698 CHKLJMNCSZTVSH-UHFFFAOYSA-N 355.388 4.764 0 40 FJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)c1ccsc1 1307286013 QHPBJJRPUUYGNJ-UHFFFAOYSA-N 352.440 4.926 0 40 FJAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3c(c2)CCOC3)cc1 1557517866 JPQMDCYDBTUEBA-UHFFFAOYSA-N 371.436 4.551 0 40 FJAB O=S(=O)(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1 701952 MUFYFYWULHVSJM-UHFFFAOYSA-N 373.271 4.949 0 40 FJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1Br 828973 BNDSFXWAFVEMQA-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB C[C@@H](C(=O)c1ccccc1)n1nc(-c2ccccc2)c2ccccc2c1=O 1443900 JKNXAFUCEBQZMM-INIZCTEOSA-N 354.409 4.507 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2130739 QLMXZKMIBONXSF-KSPOJXDVSA-N 354.490 4.926 0 40 FJAB biogenic CCCN(CCC)c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2270157 RYOTZEBKVWXCHG-UHFFFAOYSA-N 370.522 4.717 0 40 FJAB Clc1ccc2nc(CSc3ncnc4sc5c(c34)CCC5)cn2c1 2659452 KCZLDTXYZTWSOI-UHFFFAOYSA-N 372.906 4.773 0 40 FJAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 2720879 YSUPPGGXVCSCSI-UHFFFAOYSA-N 353.422 4.508 0 40 FJAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3239175 BCNFXJZPDTWSPS-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 3297612 FDUAJLORYJOWRI-UHFFFAOYSA-N 361.486 4.907 0 40 FJAB Cc1cc(C)c(OCCCCN2CCC(C)CC2)c(Br)c1 3310478 DSRUNNBBZOHHPD-UHFFFAOYSA-N 354.332 4.957 0 40 FJAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(C)cc(C)c1 3895952 MJQVPQDQKSBNDA-KNCJSHGPSA-N 358.526 4.599 0 40 FJAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCCCC[C@@H]32)C(=O)C1 4915275 OVFUVYGRDXWVFS-QGZVFWFLSA-N 359.897 4.590 0 40 FJAB c1ccc(C2=NO[C@@]3(c4ccccc4)S[C@H]4CCCC[C@@H]4CN23)cc1 5837310 HIYZCGIQTOFBHX-LMNJBCLMSA-N 350.487 4.797 0 40 FJAB O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCc2ccccc21 6580465 KDQQOKFRHUXTNM-UHFFFAOYSA-N 371.465 4.804 0 40 FJAB O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1Cc1ccccc1 7088031 RJIAHOAZDLUXOB-FQEVSTJZSA-N 350.368 4.732 0 40 FJAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8041423 XPJDRFKIZNZIGI-SNVBAGLBSA-N 373.758 4.773 0 40 FJAB O=C(CCC1CCCC1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9134753 RMVGPBFLOJIVQK-UHFFFAOYSA-N 350.418 4.954 0 40 FJAB Cc1cc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)ccc1Cl 9141234 BCVOICQWWOYMOY-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2sccc2C)cc1 9204654 MQKLNHVTIQVXAV-UHFFFAOYSA-N 369.486 4.820 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)c1nnc(-c2ccc(F)cc2)o1 9453973 FRCPCHFLVBFJKV-CYBMUJFWSA-N 373.403 4.607 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)cc1Cl 10031465 QDIBEIFLZLJAHK-OAHLLOKOSA-N 368.264 4.545 0 40 FJAB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3)C[C@H]21 10215577 LAKAGOORFQLBCA-OFNKIYASSA-N 371.440 4.723 0 40 FJAB CSc1ccc(Cl)c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 10785443 RGIDYLGVGPJVDY-UHFFFAOYSA-N 371.893 4.520 0 40 FJAB CC(C)(C)Nc1nnc(SCC(=O)c2ccc3c(c2)CCCC3)s1 12917787 NSQXIRHNOHAYTQ-UHFFFAOYSA-N 361.536 4.602 0 40 FJAB O=C1C[C@@H](c2ccccc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081461 DBDVIDGIOGGNKR-AWEZNQCLSA-N 367.401 4.727 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1Cc2cc(Cl)ccc2O1 15583077 IAVJWWJEGXJRKS-HXUWFJFHSA-N 363.844 4.549 0 40 FJAB O=C(NCc1cccs1)c1ccc2c(-c3cccc(Cl)c3)n[nH]c2c1 19772449 MVZQOGDOZSLGMR-UHFFFAOYSA-N 367.861 4.875 0 40 FJAB Cc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c(Cl)c1 20139384 KRNRGCQQYZXWOB-UHFFFAOYSA-N 358.608 4.906 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Br)c(C)c1 20456948 KHZSVTNONPBODV-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 21596293 GCJAQHPLMWJVKF-UHFFFAOYSA-N 354.862 4.928 0 40 FJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 21676284 HOLSXVLOPVIGEX-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)C2CCCC2)c1 22227776 QSQNHCOYPTVTAM-KRWDZBQOSA-N 364.489 4.925 0 40 FJAB CSc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1 27168414 LTFGGZYQZSZGGL-LLVKDONJSA-N 350.281 4.662 0 40 FJAB O=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2cccc(Cl)c2)c1 28240479 GVFYCYBFBXMSAY-UHFFFAOYSA-N 374.271 4.810 0 40 FJAB CC(=O)Nc1cccc(Nc2nnc(SCc3cccc(C)c3)s2)c1 28968133 ZCDULNDTHYDJCH-UHFFFAOYSA-N 370.503 4.841 0 40 FJAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1cccc(Br)c1 32803389 UXNHZOITLKLGJR-ZIAGYGMSSA-N 361.283 4.913 0 40 FJAB CCOCc1ccccc1CNC(=O)c1cc(C2CC2)nc2ccccc12 32809509 XHVLOEHNIJLKOG-UHFFFAOYSA-N 360.457 4.579 0 40 FJAB Cc1ccccc1SCC(=O)N1CCC(CCc2ccc(O)cc2)CC1 32882782 QZLNCTWYQYXMPH-UHFFFAOYSA-N 369.530 4.664 0 40 FJAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1 33647804 ZHAIGBAJSKOKPI-JXAWBTAJSA-N 356.535 4.717 0 40 FJAB Cc1ccsc1CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 36396658 LBUSPONYFYRPLL-UHFFFAOYSA-N 367.445 4.699 0 40 FJAB O=C(NCc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40151612 RRXKQOFERASVDT-UHFFFAOYSA-N 369.852 4.570 0 40 FJAB COc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1-c1ccccc1 83962589 YWWGRHHFLPZLEX-TZIWHRDSSA-N 361.416 4.787 0 40 FJAB Cc1sc(NC(=O)c2cccnc2)c(C(=O)c2ccc(Cl)cc2)c1C 85378797 QQMGEKHIEDETDN-UHFFFAOYSA-N 370.861 4.897 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219072021 ALFQQGDPVGZEHR-PKOBYXMFSA-N 367.489 4.798 0 40 FJAB COC(=O)c1cn(C(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc12 222599284 ADXHAZYEBNKHBQ-UHFFFAOYSA-N 363.457 4.998 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3OC(C)C)N21 222668122 YPNKZMGBUICRDJ-RYGJVYDSSA-N 367.518 4.848 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCc2ccc(Cl)cc2)cc(C)c1Cl 224137052 XXIYAESOWRBCHI-AWEZNQCLSA-N 366.288 4.736 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1Cl 224481093 OMZPFBBYOYZPQD-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB CC(C)c1ccccc1O[C@H](Cc1ccc(Br)cc1)C(=O)O 225066082 IMZMSNXTOSKMEF-QGZVFWFLSA-N 363.251 4.647 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)c2ccccc2O1 225127671 DGEQPYDBFSYXOL-QFBILLFUSA-N 353.462 4.653 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H](C)c1ccccc1 225134553 ZAOLJFIOPAQYFF-JTSKRJEESA-N 351.490 4.643 0 40 FJAB CCCNC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225437193 WYELLONYUWNIAT-UHFFFAOYSA-N 373.500 4.615 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(C)cc1 225698403 GWWNOJPDSHFEAW-QHCPKHFHSA-N 365.517 4.780 0 40 FJAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC(C)CC1 225901983 YFBQZBUURDWHJD-UHFFFAOYSA-N 370.493 4.946 0 40 FJAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c2cccnc12 225906213 VWPBMWOQWZAECH-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1 256050234 DGOHEXDCLRXXOZ-IZZDOVSWSA-N 352.430 4.918 0 40 FJAB C/C(=C\c1ccccc1)CNCc1cccc(NC(=O)c2ccncc2)c1 520949900 XTHPZLVCOWBFJH-NBVRZTHBSA-N 357.457 4.527 0 40 FJAB CC1(C)C[C@@]2(CCCN2CCc2ccccc2)CN1c1ccc(F)cc1 2037989011 RGVLBDCAMPKNTF-QHCPKHFHSA-N 352.497 4.892 0 40 FJAB Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 648808 CNQIDDIVVVOOHV-UHFFFAOYSA-N 354.500 4.854 0 40 FJAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)c1 990704 IDNICEBBFZPKSO-OALUTQOASA-N 353.418 4.617 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 998623 VAADKJDZOMZBEF-UHFFFAOYSA-N 363.504 4.896 0 40 FJAB CCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccc(F)c2)s1 1345476 UWAZNAOAPMKZCC-UHFFFAOYSA-N 355.438 4.709 0 40 FJAB Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 1368572 XHPYBPZCNXXYJY-FGZHOGPDSA-N 363.505 4.702 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)C(F)(F)F 1687543 QRKNWLOGMRYRDF-UHFFFAOYSA-N 356.141 4.521 0 40 FJAB Cc1cc(C)c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C(=O)O)c1 2549899 TXWVZFGUGOCCSU-UHFFFAOYSA-N 368.311 4.544 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCc1ccc(Cl)c(Cl)c1 2741694 YDMAUAYSKSPXKZ-UHFFFAOYSA-N 360.240 4.842 0 40 FJAB CCCCCOc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 3091916 VSXRERJXTVKERZ-UHFFFAOYSA-N 369.490 4.863 0 40 FJAB O=C(Nc1ccc2ccccc2c1)c1ccccc1I 3127779 RQVOPWAEVFMQKL-UHFFFAOYSA-N 373.193 4.697 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)cc1 3893239 DURGKOKOKSYXDE-XFXZXTDPSA-N 361.470 4.579 0 40 FJAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2c1 3911511 XBPOFIZPRPSBEQ-UHFFFAOYSA-N 363.442 4.886 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 4479485 NCALJLRRAZBDCH-UHFFFAOYSA-N 365.433 4.785 0 40 FJAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1cc3cc(Cl)ccc3oc1=O)C2 5047860 CBFWQRKCLVOYKR-BXJCWQANSA-N 360.837 4.818 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1F 5535537 VOJOOISXVTZDNY-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)NCCC12CC3CC(CC(C3)C1)C2 5617483 OCEVFPDMJQPSIL-UHFFFAOYSA-N 350.506 4.823 0 40 FJAB Cc1c(Br)ccc(NC(=O)Cn2c(C)cc3ccccc32)c1C 6266420 UVIDZFOHDHEKIJ-UHFFFAOYSA-N 371.278 4.968 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 6949612 SRFYOVDXKDTFDP-UHFFFAOYSA-N 368.521 4.843 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(C)C 7361067 RADWLSVXYYTPNW-UHFFFAOYSA-N 373.396 4.638 0 40 FJAB CCc1cccc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)c1 7374890 CGDPWXIAVMZWJA-UHFFFAOYSA-N 350.871 4.729 0 40 FJAB CCOCc1c(C(=O)Nc2ccc(OCC)c(OC)c2)oc2ccccc12 7435544 MSAXYKMBFCXPRD-UHFFFAOYSA-N 369.417 4.629 0 40 FJAB Cc1csc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 7442696 FERIYQBOJLCSRC-GOSISDBHSA-N 368.527 4.644 0 40 FJAB Cc1ccccc1Nc1nc(N)nc(CSCc2ccc(Cl)cc2)n1 7718662 HCTZNIXZUNSLLJ-UHFFFAOYSA-N 371.897 4.593 0 40 FJAB COc1ccc2oc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2c1 8748980 CGPLLVPRDJTZGH-UHFFFAOYSA-N 363.335 4.699 0 40 FJAB Cc1ccc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 11248909 CSXKGXAIWVQWFO-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)cc3)c(=O)oc2c1 12903757 MORXNJVHTIRODT-UHFFFAOYSA-N 355.821 4.635 0 40 FJAB FC(F)(F)c1cc(NC(=S)Nc2ccc3c(c2)OCO3)ccc1Cl 13934124 VZAMJUHASPBJKI-UHFFFAOYSA-N 374.771 4.896 0 40 FJAB C[C@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 14197868 CRRICWGIKOATBD-ZDUSSCGKSA-N 374.893 4.629 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1cccnc1)CC(O)=N2 15106759 MMGIXVUECQEWIA-OAHLLOKOSA-N 363.442 4.827 0 40 FJAB CCOC(=O)c1oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c1C 17297280 JHZMBHNCDKDVGP-UHFFFAOYSA-N 357.793 4.824 0 40 FJAB biogenic Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)cccc1C(=O)O 20295754 LCRALFKUOAFGQR-UHFFFAOYSA-N 367.445 4.758 0 40 FJAB COc1cccc(-c2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)c1OC 21474196 OFCKEIPGBDMPLX-UHFFFAOYSA-N 356.447 4.642 0 40 FJAB CC[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 23699655 MMTFRJHKCMGQFY-SECBINFHSA-N 369.284 4.566 0 40 FJAB O=C(COc1cccc2ccccc12)N(Cc1ccc2cc[nH]c2c1)C1CC1 32088486 ICEXMRBUHAXUIE-UHFFFAOYSA-N 370.452 4.891 0 40 FJAB CN(C(=O)c1cccnc1SCc1ccc(F)cc1)c1ccccc1 40130806 CYZKYBJEEXPRMX-UHFFFAOYSA-N 352.434 4.790 0 40 FJAB Cc1cn2c(CCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)csc2n1 49422464 OFKKUZMGDCDUJE-UHFFFAOYSA-N 373.481 4.847 0 40 FJAB CCOc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCCCC3)cc2)n1 65627658 PJJIDKBWJPLYTR-UHFFFAOYSA-N 373.884 4.766 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71280333 BQPJGIHYLTZJLE-MRXNPFEDSA-N 369.465 4.594 0 40 FJAB Cc1c(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)cccc1OCC(F)(F)F 72303928 CUWAETZBELVJCZ-STQMWFEESA-N 358.404 4.979 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C/C=C/c1ccccc1 76555434 FTIQDBSDVFHNNN-NBILRRPASA-N 359.473 4.823 0 40 FJAB O=C(Nc1ccc(Br)cc1)Nc1ccc(OC(F)F)cc1 96170895 ZFHPIDPYPTTZDN-UHFFFAOYSA-N 357.154 4.695 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100742392 VUUHTGJJJVCBFX-SRVURFJDSA-N 372.509 4.514 0 40 FJAB biogenic Cn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2ccccc21 100811296 SXVKQOWSCDTZEC-DQRAZIAOSA-N 360.438 4.773 0 40 FJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccccc2)CCC1 102644413 JTIWWBLNRFEIEE-SFHVURJKSA-N 357.413 4.792 0 40 FJAB COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(OC)c1OC 216916953 XSMTULFDNHMGIP-UHFFFAOYSA-N 353.205 4.563 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl 219603567 DLINMAVGXJDIGP-GOSISDBHSA-N 366.288 4.900 0 40 FJAB CCOc1ccc(CCCNC(=O)c2ccc(OCC)c(Cl)c2)cc1 223189899 DIACIOLBEGQMRJ-UHFFFAOYSA-N 361.869 4.500 0 40 FJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1 224695426 RDEYESLWPXXSLF-UHFFFAOYSA-N 351.471 4.877 0 40 FJAB CCCc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1 224940587 ZNRSFIYQCKDTFC-UHFFFAOYSA-N 361.485 4.920 0 40 FJAB O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccc2ccccc2c1 225064237 YLKZACAVJKMYFC-GOSISDBHSA-N 371.230 4.677 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1 225094574 HYUBKXGDRBHKJW-QGZVFWFLSA-N 352.352 4.705 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225642790 GPMKTHIABGQWRA-MRXNPFEDSA-N 358.507 4.536 0 40 FJAB COc1cc(N)cc(Cl)c1NC(=O)c1cccc2c(Cl)cccc12 227146546 LWFQQURYGXSQNK-UHFFFAOYSA-N 361.228 4.990 0 40 FJAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1 409137633 XLPHIEWKKRNIRV-WQRHYEAKSA-N 352.459 4.676 0 40 FJAB O=C(CSCc1c(Cl)cccc1Cl)NCCc1ccccc1 409146284 KLJXOHLEWCMFRB-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB Fc1cccc(-n2cccn2)c1NCc1cc2ccccc2nc1Cl 730258739 KINCZGAITFMJTA-UHFFFAOYSA-N 352.800 4.825 0 40 FJAB CCN(CC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 786498 DKJKCAUMSQTYMP-OAHLLOKOSA-N 365.304 4.804 0 40 FJAB CCOc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)[C@@H](C)C2=O 940947 XTTBOBICMQPKIB-WLRWDXFRSA-N 374.820 4.558 0 40 FJAB biogenic COc1ccc(CCN[C@@H]2CCCc3c2[nH]c2ccc(C)cc32)cc1OC 977876 GVXILTUYRLRQQA-HXUWFJFHSA-N 364.489 4.703 0 40 FJAB biogenic Fc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1 1341608 GDDOQZAAGBWUJT-UHFFFAOYSA-N 362.408 4.619 0 40 FJAB FC(F)Oc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 1468181 VBKVCCAQGRDKDJ-UHFFFAOYSA-N 355.408 4.760 0 40 FJAB C[C@@H](Nc1nc(Cl)nc(N[C@H](C)c2ccccc2)n1)c1ccccc1 2298686 VUHZBRPMEFMEPF-ZIAGYGMSSA-N 353.857 4.871 0 40 FJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2ccccc2o1 2708302 PFHSOSWBJORCIN-UHFFFAOYSA-N 352.390 4.872 0 40 FJAB CC(C)(C)c1cc(NC(=O)/C=C/c2cccs2)n(-c2ccccc2)n1 3356400 VJSNWXHUGMWNRO-VAWYXSNFSA-N 351.475 4.883 0 40 FJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)n2)c1 5450949 MQGRNKKCXPWACI-UHFFFAOYSA-N 363.461 4.615 0 40 FJAB c1ccc(Cn2c3ccccc3n3cc(-c4ccc5c(c4)OCO5)nc23)cc1 5453699 DIJYAFKKXVTDAL-UHFFFAOYSA-N 367.408 4.733 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2cc(F)ccc2F)cs1 5853496 BTKCBXATLMONAD-UHFFFAOYSA-N 369.396 4.751 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COCc1cc(-c2cccs2)on1 6876594 WARONQGWEPJVRD-UHFFFAOYSA-N 362.838 4.520 0 40 FJAB CCn1c(SCc2ccccc2)nnc1-c1cc(Cl)ccc1OC 7605056 UVTHIVSRKLVODT-UHFFFAOYSA-N 359.882 4.919 0 40 FJAB O=C1CCc2cc(C(=O)CSc3cc(Cl)ccc3Cl)ccc2N1 8574466 VKUKDVCBZUMUTB-UHFFFAOYSA-N 366.269 4.853 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)cc3C)ccc21 9137087 JQQJPPMHAUWPSW-UHFFFAOYSA-N 350.462 4.635 0 40 FJAB Cc1nnc(S[C@H](C)C(=O)n2c3ccccc3c3ccccc32)s1 9303763 QYAKLQLKXHUZNN-LLVKDONJSA-N 353.472 4.775 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 9449496 QWPCDZPRMZDCTF-UHFFFAOYSA-N 352.459 4.520 0 40 FJAB CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 11467253 LYZTYVCLKLMTFI-UHFFFAOYSA-N 370.836 4.965 0 40 FJAB Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@@H](c1cccc(F)c1)O2 11866494 GMPPOHOOXGELIQ-INIZCTEOSA-N 352.361 4.564 0 40 FJAB COc1ccc2nc(NC(=O)C34CC5C[C@H](CC[C@H](C5)C3)C4)sc2c1 16778750 XZVJDXOYSNRSQB-QUYAXPHCSA-N 356.491 4.850 0 40 FJAB CCCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl 19943255 OFFMUKRDBFEQCS-GJZGRUSLSA-N 373.946 4.576 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Br 20108842 HABXPDMQAOTXCM-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)C1(c2ccccc2)CCCC1 20143601 OTDBPGBVBNTDEA-UHFFFAOYSA-N 361.441 4.889 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1OC 20490186 UIHHOXWQKBBSMT-LBPRGKRZSA-N 365.882 4.785 0 40 FJAB COc1cccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)c1 23126576 WCYCCRHVVYXXGH-UHFFFAOYSA-N 366.421 4.514 0 40 FJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccccc2)s1 24355408 PITISTAKQIQJTE-UVTDQMKNSA-N 359.813 4.666 0 40 FJAB CCc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 24749732 CPQPYXRLCBIMMJ-UHFFFAOYSA-N 366.490 4.548 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1coc(-c2cccs2)n1 27194903 VQGSEJOCQURPLZ-CYBMUJFWSA-N 370.499 4.614 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220799 TYUKMOPIVKYLJJ-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB Cc1cc(NC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)no1 30516893 TZVXLNMYHJGYNK-KRWDZBQOSA-N 360.385 4.733 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 30864498 ZUDZEEMBHGDPTD-UWJYYQICSA-N 369.505 4.929 0 40 FJAB CCN(CC)Cc1cccc(NC(=O)CCc2nc3ccccc3s2)c1 31589030 NLUBQDYJPNYUBB-UHFFFAOYSA-N 367.518 4.709 0 40 FJAB COc1cc2c(cc1NC(=O)[C@H](C)OCC(F)(F)F)oc1ccccc12 31675116 LKORWCGUOCXTCF-JTQLQIEISA-N 367.323 4.501 0 40 FJAB Cc1cc(N2CCN(Cc3ccc(Cl)s3)CC2)nc2ccccc12 32679054 YZEBJOMFYZEVGL-UHFFFAOYSA-N 357.910 4.580 0 40 FJAB CCCC(=O)Nc1ccc(-c2nc(Nc3ccccn3)sc2C)cc1 32899520 KGEGSEGIMUHLPW-UHFFFAOYSA-N 352.463 4.996 0 40 FJAB Cc1ccc2c(CC(=O)NCCCO[C@H](C)c3ccccc3)coc2c1 32907535 NWROPBSTCYVIGR-QGZVFWFLSA-N 351.446 4.568 0 40 FJAB CC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc12 36358828 ISVXCKULKHOBQW-UHFFFAOYSA-N 361.228 4.789 0 40 FJAB Cn1c([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 49171205 FCOFPJYCVANOKC-HNNXBMFYSA-N 359.395 4.582 0 40 FJAB biogenic,in-vitro Cc1ccc(-c2nc(C)c(C(=O)OCc3nc(C)c(C)o3)s2)c(C)c1 58327779 AHVHWGMMABGBGL-UHFFFAOYSA-N 356.447 4.697 0 40 FJAB CCCCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)[nH]n1 72331601 QNFLWHYIFQGQEX-INIZCTEOSA-N 363.461 4.747 0 40 FJAB Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348940 RVGUDWXUKDQVCZ-NRFANRHFSA-N 357.501 4.755 0 40 FJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(Cl)ccc1NC1CC1 76093154 WPVKTMGALJKAFI-UHFFFAOYSA-N 374.916 4.565 0 40 FJAB C[C@@H]1CN(c2ccccc2NC(=O)Cc2ccc3ccccc3c2)C[C@@H](C)O1 89936867 DURCIYHQSDTEJO-QZTJIDSGSA-N 374.484 4.635 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=C(C(=O)O)C[C@]4(C)[C@H]3CC[C@]12C 118934964 GBQYYMYMCZFUMS-UMWWKMARSA-N 360.494 4.582 0 40 FJAB CCOc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219452726 PFCCJGHCRXJSOI-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 223015255 KWFFBXBPQRRBJP-MEJUDOHFSA-N 363.457 4.575 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 223053734 VLOZMOIUUBNMRD-KSFYIVLOSA-N 367.489 4.609 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223248803 NLAKUGPJGFRHMN-QGZVFWFLSA-N 351.490 4.863 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1 224102359 JTIFAUJBWYMDCC-CQSZACIVSA-N 373.374 4.942 0 40 FJAB CCCOCc1cc(C(=O)Nc2ccc(OCC)cc2)ccc1OCC 224707105 XLVSIABXDYSKKS-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(C)c(C)c3)o2)c1 224844592 YLTRFOCLWDRPEY-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB CCOc1ccccc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 225442446 HXVIAOTUXHZGJL-UHFFFAOYSA-N 354.397 4.591 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1C 225477437 WPMBJCANSITBTP-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB O=C(CCSc1ccccc1)NCc1cccnc1-c1cccs1 225759730 ICLJKACKBXIXLB-UHFFFAOYSA-N 354.500 4.609 0 40 FJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)cc(Cl)c1 225796537 LCELLQBJNZZCKS-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409055688 DDGDHVVJQOGIFZ-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB Clc1cc2c(s1)CC[C@H]2NCc1ccc(Oc2cnccn2)cc1 574964606 MQVFISAZDYCQIA-OAHLLOKOSA-N 357.866 4.761 0 40 FJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC[C@@H]1C 854728 ZUMHBSWISXBQOV-JTQLQIEISA-N 353.249 4.971 0 40 FJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)cc1 949060 ICPHSPGSRCDYMJ-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1F 1037297 VOSOBDPCWNHRAP-UHFFFAOYSA-N 357.388 4.931 0 40 FJAB O=C(c1cccc(C(F)(F)F)c1)N1CCn2cccc2[C@H]1c1ccccc1 1429913 MBHGRNRSQBZXHX-LJQANCHMSA-N 370.374 4.752 0 40 FJAB Cc1cc(Br)cc(Cl)c1OC(=O)c1cccc(N(C)C)c1 3346397 ULUFENYIOFWJOB-UHFFFAOYSA-N 368.658 4.696 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(C(C)C)cc1Cl 3579062 LOGWZJVEZCNQQY-UHFFFAOYSA-N 361.825 4.518 0 40 FJAB O=C(NCCOc1cccc2ccccc12)c1ccc(Cl)cc1Cl 5876623 OKTFJZHVLKIRRI-UHFFFAOYSA-N 360.240 4.955 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1cnc2ccccc2n1 5966270 LXIKVIPRUVDKOH-ZRDIBKRKSA-N 361.445 4.588 0 40 FJAB Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1C 6461091 ULYXIETXBGVLPA-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 6468071 WVSHPTVRTTWKCL-NSHDSACASA-N 362.907 4.919 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 6949599 POWCLHXLQIRFLI-UHFFFAOYSA-N 360.885 4.508 0 40 FJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3cccc(Cl)c3)o2)cc1 7159378 GOUVPYLVUZFMPM-LLVKDONJSA-N 374.849 4.762 0 40 FJAB Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)n1 7735912 LPDHLVQRHXZWTC-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COCCN(Cc1ccccc1)C(=O)c1oc2c(Cl)cccc2c1C 7737027 PGSRXDOXJFZGKE-UHFFFAOYSA-N 357.837 4.683 0 40 FJAB COc1ccc(Cl)cc1CN(C)C(=O)Cc1ccc2ccccc2c1 8052015 QBHFKRMOPZMRKC-UHFFFAOYSA-N 353.849 4.703 0 40 FJAB COC(=O)c1sc2ccccc2c1NC(=O)Cc1ccc(Cl)s1 10060991 MZIDLYIKKQPGCM-UHFFFAOYSA-N 365.863 4.584 0 40 FJAB COc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254545 RZDVEXZYKPLTKZ-UHFFFAOYSA-N 372.852 4.601 0 40 FJAB CC(C)C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1 11237680 VRBGDCYOJZXIQB-MRXNPFEDSA-N 356.491 4.614 0 40 FJAB Cc1ccc(-n2nc(C)c(NC(=O)c3cc4cc(F)ccc4[nH]3)c2C)cc1 13009250 NXCJULYCNWWYEI-UHFFFAOYSA-N 362.408 4.670 0 40 FJAB Cc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13495032 BWLMAUOVVXRXBY-HNNXBMFYSA-N 363.461 4.834 0 40 FJAB Cc1cc(=O)oc2cc(NC(=O)c3ccccc3SC(F)F)ccc12 15356327 DMUHSULSOOWUPW-UHFFFAOYSA-N 361.369 4.668 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1Cl 18285177 LXWFZMOMVNLPLZ-AMBYYYRHSA-N 355.865 4.664 0 40 FJAB O=C1CCCc2c1c(Nc1ccccc1)nn2-c1nc2ccccc2s1 19817217 HNCOKTHVPAZPRI-UHFFFAOYSA-N 360.442 4.745 0 40 FJAB C[C@@H](Sc1nc2ccccc2n1C(F)F)c1nc(-c2ccco2)no1 29740304 UQTADQLAUOKMQL-SECBINFHSA-N 362.361 4.928 0 40 FJAB COc1cccc2cc(/C=C/C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)oc12 32970297 SHYNOYKVIYZLOG-ZYRHBWTNSA-N 365.429 4.830 0 40 FJAB CCCN(CCC)Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1 33640307 UDWOJTOOZQKHPI-LJQANCHMSA-N 352.522 4.670 0 40 FJAB C[C@@H](NC(=O)CCn1ccc2c(Br)cccc21)c1ccccc1 40285895 WRXSXZYSRARBDE-CQSZACIVSA-N 371.278 4.671 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(OC)cc1 44904434 ZGZAGMDJJLNAPF-KKSFZXQISA-N 363.457 4.883 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 44934854 YWLNRFLHNUCKAM-AZUAARDMSA-N 368.496 4.532 0 40 FJAB COc1cc([C@H](C)NC(=O)CCc2ccsc2)ccc1OC1CCCC1 48339778 RTVWMLACADOMJV-HNNXBMFYSA-N 373.518 4.888 0 40 FJAB CCCCc1nc(C)c(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)s1 58016362 SQAWDZRJFIVIQL-AWEZNQCLSA-N 368.506 4.675 0 40 FJAB CC(C)(C)[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 58281088 YBUDXPNDIXOALY-SFHVURJKSA-N 371.506 4.784 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CCOCC(F)(F)F)ccc21 58692197 VZIRVDLKZZVLQA-UHFFFAOYSA-N 364.367 4.722 0 40 FJAB COc1cccc2sc(NC(=O)Nc3ccccc3C(F)(F)F)nc12 70635585 GOWLCBISKHKBOR-UHFFFAOYSA-N 367.352 4.968 0 40 FJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)/C=C/c1ccco1 85471034 ZKZGDWSABBFSMI-CMDGGOBGSA-N 358.850 4.695 0 40 FJAB C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 89905151 CUGVIBJJOJYWDL-NHYWBVRUSA-N 367.312 4.608 0 40 FJAB COc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(C)o2)c1 95115911 HEODVZDBOOHTPW-QGZVFWFLSA-N 366.442 4.650 0 40 FJAB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102699519 JAKRXWHZLILKLD-IERDGZPVSA-N 374.419 4.791 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC(C)(C)C 222916784 JBFDKLCQARLSSO-KRWDZBQOSA-N 351.556 4.789 0 40 FJAB Cc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 223241578 MCRBEQWTGMZFGZ-UHFFFAOYSA-N 363.432 4.952 0 40 FJAB O=C(NCc1cccnc1-c1ccsc1)c1ccccc1Br 225647041 VGBJGCSPJSWGMJ-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)o1)Nc1ccccc1C(F)(F)F 575610932 QZRYABOPYBCVRG-UHFFFAOYSA-N 350.296 4.880 0 40 FJAB CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 726759611 BPKBRBBTHLPFSV-MRXNPFEDSA-N 372.465 4.781 0 40 FJAB COc1cc2c3c(c1)[C@@H](Nc1ccc(F)cc1)C(=O)N3C(C)(C)C=C2C 1857657206 GXGOSODDSJQKAO-GOSISDBHSA-N 352.409 4.530 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)CCC(F)(F)F)CN1c1ccc(F)cc1 2037988541 TWKZJAXTTVXFEP-SFHVURJKSA-N 372.406 4.518 0 40 FJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 675579 ZZJIDTKUVHBRKM-UHFFFAOYSA-N 362.454 4.914 0 40 FJAB O=C(Nc1ccc2ccccc2c1)c1ccc(I)cc1 787464 XHVUSKGDZYLTHB-UHFFFAOYSA-N 373.193 4.697 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(F)cc1 1339985 HWUJKHCPRLZFNZ-UHFFFAOYSA-N 354.450 4.976 0 40 FJAB CC[n+]1cnc(N)c2c(-c3ccc(Cl)cc3)cn(-c3ccc(C)cc3)c21 1642243 OBGNNIPYXMQLRW-UHFFFAOYSA-O 363.872 4.544 0 40 FJAB COc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 2252976 VLFFRAFUGJEZIX-UHFFFAOYSA-N 366.424 4.953 0 40 FJAB COc1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)c(OC)c1 2713902 MYTHJADCROCAKB-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CN(C)c1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1 3263255 QNVOIXDVSFPYRE-UHFFFAOYSA-N 370.246 4.888 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccc(F)c1 5780429 WMOMYJWVNHVDEU-UHFFFAOYSA-N 352.843 4.820 0 40 FJAB CCCCCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1 5845593 NHESPHRLXRZYSN-KBXCAEBGSA-N 373.522 4.895 0 40 FJAB CCN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 6325786 PAKFESLJPOVAKU-CXUHLZMHSA-N 372.402 4.528 0 40 FJAB CCc1ccc2oc(C(=O)Nc3nonc3-c3ccc(F)cc3)c(C)c2c1 6670107 WMVNPPZFDCYYPA-UHFFFAOYSA-N 365.364 4.745 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)OCc2ccccc2Cl)c1 7782452 PVZDRSGAPUREIQ-UHFFFAOYSA-N 371.820 4.881 0 40 FJAB COc1ccccc1-c1noc(COc2ccc(Cl)cc2Cl)n1 8006567 JXOQSWZZGPAAPO-UHFFFAOYSA-N 351.189 4.631 0 40 FJAB COc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 8042062 MUSGQAWBFRVLPG-UHFFFAOYSA-N 350.443 4.834 0 40 FJAB O=C(c1ccc(F)cc1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254595 WPWGVEQIOZFGSB-UHFFFAOYSA-N 360.816 4.732 0 40 FJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC(c2c[nH]c3ccccc23)CC1 10883313 CTSGJWAASAUYPH-MDZDMXLPSA-N 371.440 4.729 0 40 FJAB CC(C)c1ccc(-c2nc(CNc3ccccc3C(N)=O)cs2)cc1 10939467 BKPAMAJXTNDQFA-UHFFFAOYSA-N 351.475 4.645 0 40 FJAB O=C1O/C(=C(\c2ccc(CCc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21 13618474 ANITZGTZZRCLDR-QURGRASLSA-N 371.392 4.745 0 40 FJAB CCOc1cccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)c1 13688643 VURZCJKGCLGAFS-UHFFFAOYSA-N 351.406 4.511 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 13710340 YXBZGWILKAXBCG-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1C 13971988 RMGHLPWCNWPQKX-UHFFFAOYSA-N 373.452 4.724 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 18104746 FLINUZIQUWAXGM-ZDUSSCGKSA-N 374.893 4.586 0 40 FJAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3csc(C(C)C)c3)n2)c1 19235536 IQHBMCJWLXZKAL-ZDUSSCGKSA-N 355.463 4.721 0 40 FJAB COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1-c1ccc(CO)o1 20139439 MCXIFNYCOWCRJV-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB CCCOc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20141460 FODFAXAOZQVFAJ-UHFFFAOYSA-N 368.216 4.733 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1Cl 20450422 REOAUISAWIGLJW-HXUWFJFHSA-N 359.897 4.863 0 40 FJAB O=C(NC1CCCCCCC1)c1cccc(NC(=O)c2cccs2)c1 22872512 MKHWXZSEZBJUGL-UHFFFAOYSA-N 356.491 4.843 0 40 FJAB Cc1ccc(NC(=O)CNc2ccc(OC(F)(F)F)cc2)c(Cl)c1 23901055 AAHNLMOQTPZCBD-UHFFFAOYSA-N 358.747 4.598 0 40 FJAB CC[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 24774923 MDQJPMMIGJMVMI-HXUWFJFHSA-N 355.457 4.645 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C)cc2C)cc1OC 25617677 WYZNEYPPMYAOOX-FQEVSTJZSA-N 367.489 4.617 0 40 FJAB O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCc1ccco1 26946306 SORVJMKWDZUJSQ-UHFFFAOYSA-N 373.424 4.697 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccccc2)o1 29885022 OASDHNSRAPGSPX-IIBYNOLFSA-N 373.452 4.906 0 40 FJAB CC[C@@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(OC)cc1 30860842 RZJOTGJFPOXPHA-HXUWFJFHSA-N 357.519 4.813 0 40 FJAB C[C@H](Cc1cccs1)NC(=O)c1cc(Br)ccc1Cl 33203603 YLULOBAPPMEMAQ-SECBINFHSA-N 358.688 4.525 0 40 FJAB O=C(O)/C=C/c1cc(Cl)ccc1OCc1ccccc1Br 36895262 YHGQDDYBBWKGDS-VMPITWQZSA-N 367.626 4.779 0 40 FJAB in-vitro COc1c(Br)cc(Br)cc1CNc1ccccc1 37186025 JZADMMYANKHEJW-UHFFFAOYSA-N 371.072 4.832 0 40 FJAB CC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(C)cc2)C(F)(F)F)cc1 40158466 QIVSNHLGKYTCHN-INIZCTEOSA-N 350.340 4.623 0 40 FJAB C[C@H](NCc1cc(-c2ccccc2)cs1)c1nnc2n1CCCCC2 54040761 NLRVYYCOPHDGPA-HNNXBMFYSA-N 352.507 4.584 0 40 FJAB CC(C)[C@@H](NC(=O)CCCc1ccccc1)c1ccc2c(c1)OCCCO2 58218323 RPDMEOQKECFRFI-HSZRJFAPSA-N 367.489 4.684 0 40 FJAB Clc1ccc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)cc1 67284747 YNTLCYGDFRTRIP-UHFFFAOYSA-N 360.848 4.612 0 40 FJAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccsc2)CC3)s1 96047272 NOHVFVKYCQNGKP-UHFFFAOYSA-N 374.575 4.636 0 40 FJAB CC[C@H](O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509785 USHGIOFSYBGCJL-LBPRGKRZSA-N 354.244 4.630 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1C 103322264 YCYAHKGRIOYTQU-YVLHZVERSA-N 356.422 4.548 0 40 FJAB CC(=O)c1csc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 108286862 XCHZBIAAANYHCQ-GOSISDBHSA-N 352.459 4.799 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(OC)cc1 226092801 NNFKGLHAXAYXKX-UHFFFAOYSA-N 362.267 4.835 0 40 FJAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105905 XVHWQCDTYJMOHX-MRXNPFEDSA-N 367.464 4.934 0 40 FJAB CC(C)SCc1nnc2sc(/C=C/c3ccccc3Cl)nn12 1776110967 BYLBKMLUYBSUTP-BQYQJAHWSA-N 350.900 4.651 0 40 FJAB COc1ccc(Cl)cc1Nc1nc(-c2c(C)nc3ncccn23)cs1 888745 ADBRSZDCPNAVMD-UHFFFAOYSA-N 371.853 4.567 0 40 FJAB OC/C(=C/c1ccccc1Br)c1ccccc1Br 1684932 OYOIZXXIAQIMRH-XFXZXTDPSA-N 368.068 4.745 0 40 FJAB CCCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2 2090934 RAMGPKHJRQGWTR-UHFFFAOYSA-N 358.463 4.838 0 40 FJAB CCCCCC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 2323589 XPSOUVKHEHBONS-UHFFFAOYSA-N 358.294 4.955 0 40 FJAB Fc1ccc2[nH]c3c(NCc4ccccc4C(F)(F)F)ncnc3c2c1 2413321 OXKHEKQTRWIKHJ-UHFFFAOYSA-N 360.314 4.881 0 40 FJAB FC(F)(F)c1cc(NCn2nnc3ccccc32)cc(C(F)(F)F)c1 2570694 YJQBRYWWHNVNTJ-UHFFFAOYSA-N 360.261 4.539 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)cc1 3469358 POUUUZRFDIQWEL-NSHDSACASA-N 352.217 4.602 0 40 FJAB Cc1ccccc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4072065 NZSBOWBVWPKWOW-UHFFFAOYSA-N 353.491 4.567 0 40 FJAB CC(C)c1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 4691210 JGYAITVEUZTTFL-UHFFFAOYSA-N 364.533 4.681 0 40 FJAB COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 6229739 LZVLIAOXDIOBMK-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)c1c[nH]c2ccccc12 6436765 XSSIRVGJCCHGJZ-ZDUSSCGKSA-N 353.443 4.693 0 40 FJAB COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)cc3)[n+]2C)cc1 6519945 SSGQWECMUVPJNV-FNCQTZNRSA-N 358.461 4.869 0 40 FJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1C 6546774 VKKNGQORUPHSCV-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(F)cc1Cl 6639557 DKOPMPBNKVXUNA-UHFFFAOYSA-N 365.832 4.803 0 40 FJAB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1 6828096 YPOFKMFELLWGSI-XNTDXEJSSA-N 370.836 4.681 0 40 FJAB CCCCc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 7966120 HYJDYNDVPVHCGD-UHFFFAOYSA-N 366.505 4.665 0 40 FJAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1ncccn1 8215860 DJYRVLPYQBBVOT-UHFFFAOYSA-N 365.845 4.790 0 40 FJAB Clc1snnc1CN1CCCC[C@@H]1c1nc2ccccc2s1 8402314 AHXQREKQQVPOMB-GFCCVEGCSA-N 350.900 4.528 0 40 FJAB Cc1cc(CSc2nnc(-c3cccs3)n2-c2ccccc2)on1 8487409 CBYFXFFPSGMLLY-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2sccc2C)c1 9204529 KZMFSMKDXDAZJX-UHFFFAOYSA-N 355.459 4.566 0 40 FJAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2-c2ccoc2C)on1 12251497 SUAMHLSNAUWZBS-UHFFFAOYSA-N 364.380 4.760 0 40 FJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1)O[C@@H](C)C2 12589289 IQTSUDXAIIIGKU-QWHCGFSZSA-N 374.868 4.501 0 40 FJAB Cc1occc1-c1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)o1 12621048 NLFCYVHIRQRNBG-JSFDKUKPSA-N 372.490 4.904 0 40 FJAB CCc1ccc(OCC(=O)Nc2c(C)cccc2C)c(Br)c1 13988623 NMHXMOCDZHVWPM-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 14186851 PHDTZFOVUQUUTH-KRWDZBQOSA-N 372.447 4.924 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1OC 14257692 KCFDSQQEKUEGOD-CYBMUJFWSA-N 356.491 4.644 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1ccccc1 14397497 FIWBOYZDTPFQAP-UHFFFAOYSA-N 363.910 4.549 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCc1ccccc1 21787102 LLSMHPDLYPGHBA-NRFANRHFSA-N 361.489 4.743 0 40 FJAB COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c1OC(F)F 22328702 IEIYOYYQCDCJOW-UJGDBWEASA-N 373.399 4.674 0 40 FJAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCCc2ccccc21 23236145 XBOXHQZASZDPGK-UHFFFAOYSA-N 367.449 4.548 0 40 FJAB Cc1cc(C)nc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n1 27976663 KHCJRUPQYLOMQA-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB C[C@H](CC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1 40090709 RTJKHLIGKJZIFX-CQSZACIVSA-N 356.853 4.599 0 40 FJAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1C 41077037 VAMQQUOSIRLTBH-UHFFFAOYSA-N 363.461 4.587 0 40 FJAB CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1 44935736 VMJVPSFFSMJPQT-HSZRJFAPSA-N 364.533 4.783 0 40 FJAB C[C@@]12CC3CC(CC(=O)Nc4ccc5c(c4)NC(=O)C5)(C1)C[C@](C)(C3)C2 45222139 KEJWAXKMMYYOKK-BGCCBAISSA-N 352.478 4.506 0 40 FJAB COc1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 51355849 BMDZUSDMZUCFCE-UHFFFAOYSA-N 360.413 4.879 0 40 FJAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccccc2Cl)[nH]n1 57412318 DJMINQWGZJFYGJ-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CCn1c(CN2CCC[C@H]2c2ccc(OC)cc2)nc2cc(F)ccc21 58296579 UUWWSKDAGXISCF-IBGZPJMESA-N 353.441 4.541 0 40 FJAB COc1ccc([C@@H](NC(=O)c2nccc3ccccc23)c2ccccc2)cc1 60193033 GXEJVMMFTGLMKR-QFIPXVFZSA-N 368.436 4.763 0 40 FJAB O=c1[nH]c2ccc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2[nH]1 63630903 QHMOBRGLTTXMNW-UHFFFAOYSA-N 361.348 4.666 0 40 FJAB Cc1ccc(C(C)C)c(Oc2nc3ccccc3nc2N2CCOCC2)c1 64438536 RUXGXUUHNOXPJL-UHFFFAOYSA-N 363.461 4.691 0 40 FJAB COc1cc2c(cc1NC(=O)N1C[C@H](C)OC(C)(C)C1)oc1ccccc12 65449499 GQMFOKUUXQHOHQ-ZDUSSCGKSA-N 368.433 4.626 0 40 FJAB CCCCCn1c(SCc2cccc(OC)c2)nc2ccccc2c1=O 67259003 XJMJNFJXVVOXFG-UHFFFAOYSA-N 368.502 4.888 0 40 FJAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(C)c(C)s3)s2)ccn1 71282653 OXYUFCRFJFSMLW-UHFFFAOYSA-N 372.519 4.792 0 40 FJAB COc1ccc(C)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760828 SQWKVICCPMXAGI-UHFFFAOYSA-N 356.369 4.711 0 40 FJAB COc1cccc(OC)c1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72221448 ZKEBTUNGNDPIAZ-KRWDZBQOSA-N 355.434 4.568 0 40 FJAB C/C=C/c1ccc(OCCN2C(=O)C[C@@H](C)Nc3ccccc32)c(CC)c1 82087108 PRBCPAVDRDJCQR-IOMDMTNGSA-N 364.489 4.898 0 40 FJAB CCOc1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 96538190 KXPXOECTNRKETE-UHFFFAOYSA-N 353.846 4.750 0 40 FJAB Cc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2C)cc1 107680387 RDGIMJSNSDLOIV-UHFFFAOYSA-N 374.307 4.845 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1 113970188 JTXYTIFCVYYORN-LEWJYISDSA-N 355.478 4.683 0 40 FJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(Cl)cc1 222942671 UXWLEJYACHQNKV-JTQLQIEISA-N 350.643 4.694 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223377443 LPMVPCZGLRAJSH-MRXNPFEDSA-N 355.478 4.935 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 224171697 RZSZJTVVEHVQEI-PXNSSMCTSA-N 355.478 4.655 0 40 FJAB Cc1cccc(OCCNC(=O)c2ccccc2CCc2ccccc2)c1 224279521 KMZPVBLXRCPUTL-UHFFFAOYSA-N 359.469 4.589 0 40 FJAB Cc1ccc2oc(CCC(=O)Nc3ccc4c5c(cccc35)CC4)nc2c1 224947904 JIHRLOYUVVTGFA-UHFFFAOYSA-N 356.425 4.959 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCOc1ccc(Cl)cc1 224980427 XXIWHDBSXMYPSN-UHFFFAOYSA-N 365.860 4.745 0 40 FJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(OC(C)C)cc1 225397684 QSUUZGJVQREVOR-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB O=C(O)CCc1cc(Cl)c(OCc2ccccc2)c(Br)c1 226342027 LHNYSQSWURYLJR-UHFFFAOYSA-N 369.642 4.699 0 40 FJAB COc1ccc(CCCc2nnc(SCc3ccc(F)cc3)o2)cc1C 409020214 ZXULKFCADPBECV-UHFFFAOYSA-N 372.465 4.993 0 40 FJAB COc1cc(C)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1C(C)C 409084939 YNHJTEROBDICOD-PDGQHHTCSA-N 372.534 4.517 0 40 FJAB CCOc1ccc(-n2c(C)nnc2SCc2cccc(Cl)c2)cc1 409103949 HWJHHYUOSPKEFL-UHFFFAOYSA-N 359.882 4.920 0 40 FJAB Cc1ccccc1CNc1ccccc1NC(=O)c1cnn2c1C[C@@H](C)CC2 570217960 ZAYXXVDLXOJQLT-INIZCTEOSA-N 374.488 4.638 0 40 FJAB O=C(NC[C@H]1CCc2ccccc21)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1631678534 XGKNEYMZMAWMBX-ZHALLVOQSA-N 354.881 4.615 0 40 FJAB O=C(CSc1nnc2ccc3ccccc3n12)c1ccc(Cl)cc1 630377 MJBALQHVWIYNEV-UHFFFAOYSA-N 353.834 4.511 0 40 FJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc2c1 845971 NWXVMGLLWWMWGL-UHFFFAOYSA-N 370.836 4.545 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934640 RRWPACCOHIKJKP-CYBMUJFWSA-N 362.267 4.979 0 40 FJAB O=C(CSc1cccc2cccnc12)Nc1nc2ccccc2s1 1066540 HCVMPTABSBGKIJ-UHFFFAOYSA-N 351.456 4.575 0 40 FJAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1 1776218 HPAPWHQHZIWHPH-UHFFFAOYSA-N 365.930 4.688 0 40 FJAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1 3199527 IQOIRDZAZIKWEM-SFHVURJKSA-N 365.341 4.520 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12 3217676 MZWGBNMHCLREHY-UHFFFAOYSA-N 361.441 4.688 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCCCC1 3388482 QZXDHJACNLQLHV-UHFFFAOYSA-N 350.821 4.895 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1c(F)cccc1Cl 4079071 FFFRXNLNXFVLGZ-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CC(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4353806 ZZMCMBUAUFWTOO-UHFFFAOYSA-N 372.371 4.948 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)c(C)c1 4479457 OXGLKFULMWUKPT-CSKARUKUSA-N 353.809 4.659 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(F)(F)F)cc1 5038765 DYEUBSXIGZPGPW-UHFFFAOYSA-N 373.758 4.693 0 40 FJAB Cc1nc(SCC(=O)N2CCCc3ccccc32)n(C2CCCC2)c1C 5089863 XYPZHMGPFKMIMB-UHFFFAOYSA-N 369.534 4.687 0 40 FJAB Cc1ccc(C)c2c1[C@H](C)CC1(CCCCC1)N2C(=O)N1CCOCC1 5428727 FYJOWXRNXHOPCW-GOSISDBHSA-N 356.510 4.772 0 40 FJAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)c1ccccc1 6176139 QQDZPCUJVLMJGU-LLVKDONJSA-N 359.451 4.784 0 40 FJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Cl)nc2ccccc12 6881252 TUPKNPIHFXPWOX-JTQLQIEISA-N 356.775 4.691 0 40 FJAB O=C(CCc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 7345171 WVKDABWGBPLQEG-UHFFFAOYSA-N 367.518 4.577 0 40 FJAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3C(F)(F)F)cc(=O)c2c1 8869888 GWXMUWHKTMHNCO-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB CC(C)(C)c1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9233318 QMPLIASJNJZHJG-AWEZNQCLSA-N 370.880 4.629 0 40 FJAB COc1ccc2cc(CNC(=O)N[C@H](C)c3ccc(F)c(F)c3)ccc2c1 10207662 GEJGKONRVGJDOV-CYBMUJFWSA-N 370.399 4.687 0 40 FJAB O=C(Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccccc1 10461610 OBTDUEQNNYLJOH-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc(F)cc2)cc1 11914725 PHARKAZJXRFDSH-UHFFFAOYSA-N 355.434 4.808 0 40 FJAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 12080450 PJIVQNXLURAJMI-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB Cc1ccc(CCC2CCN(CC(=O)Nc3c(F)cccc3F)CC2)cc1 12746120 FUUIPXMAOPJNOG-UHFFFAOYSA-N 372.459 4.557 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1 14127619 HIDJGGQEQXRVKY-UHFFFAOYSA-N 353.340 4.669 0 40 FJAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(C)n3C)c2c1C 14142349 FFCXSZHHROQGBC-UHFFFAOYSA-N 373.532 4.625 0 40 FJAB Cc1ccc(CSCCNC(=S)Nc2ccccc2Cl)cc1 18145676 SNHVEIBADZIYHT-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(C)c(C)c2)on1 19213977 AQTQGYKRWNJDIH-IBGZPJMESA-N 350.466 4.717 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(Cl)cccc1Cl 20048115 NQYMXCKBSRIACT-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB O=C(CSc1ccccc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151171 AHXUTUARKVZACE-UHFFFAOYSA-N 373.861 4.823 0 40 FJAB COc1ccc(OC)c(CC(=O)Nc2ccccc2Oc2ccccc2)c1 20447908 MZEMQJVVQPJFQT-UHFFFAOYSA-N 363.413 4.677 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F 20455121 RXKBSOONEZOAJT-OAHLLOKOSA-N 370.193 4.523 0 40 FJAB C[C@@H]1CCc2onc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C1 20572103 FQFBNDJXVCWUJY-MRVPVSSYSA-N 358.747 4.724 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCC1=CCCCC1 22237626 HQLCPCMLQOKRMU-UHFFFAOYSA-N 355.507 4.840 0 40 FJAB COc1ccc(-c2nc(COC(=O)C3(c4ccccc4)CCC3)co2)cc1 22866173 MDIRBQSMQYQYRJ-UHFFFAOYSA-N 363.413 4.515 0 40 FJAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cccnc1 24646613 ZVACRVUXSLYSAT-UHFFFAOYSA-N 361.470 4.504 0 40 FJAB Cc1ccc(-c2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)co2)cc1 25525049 ZHEAJHKRSRUESF-UHFFFAOYSA-N 368.742 4.532 0 40 FJAB Cc1cc(-c2csc(NCc3ccco3)n2)c(C)n1CC(F)(F)F 25666061 FTLDHNVMIVFDBO-UHFFFAOYSA-N 355.385 4.996 0 40 FJAB Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)c2ccccn2)cc1 27747145 YJGKZWKLJGTYDW-UHFFFAOYSA-N 360.457 4.619 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)n1 31801402 MXEJEZALKRDVLZ-UHFFFAOYSA-N 373.334 4.603 0 40 FJAB CC[C@@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 32610613 RJJPCDGJGJYFRL-LJQANCHMSA-N 365.452 4.820 0 40 FJAB c1ccc(-c2cn3nc(Oc4cnc(-c5ccccc5)nc4)sc3n2)cc1 32815189 YJIJWSJJYZRGEX-UHFFFAOYSA-N 371.425 4.707 0 40 FJAB CN(Cc1ccccc1NC(=O)Cc1ccccc1F)C1CCCCC1 32903620 QPKQXGOVMZYXGZ-UHFFFAOYSA-N 354.469 4.771 0 40 FJAB Fc1ccccc1CN1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 35446687 MNBXCMMNVPCGFT-ZDUSSCGKSA-N 363.358 4.710 0 40 FJAB biogenic,in-vitro CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38859320 OSJKIIKWJRHKMU-ZFWWWQNUSA-N 357.325 4.510 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCC2)c(F)c1 40156831 VMWLMTPDILQUFS-UHFFFAOYSA-N 367.251 4.914 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 44935024 OQNSNHSNOWRHEE-IBGZPJMESA-N 350.506 4.780 0 40 FJAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccccc2F)n1 48367127 KVXAWOJOMRQUSB-UHFFFAOYSA-N 363.314 4.591 0 40 FJAB CC(C)Oc1cccc(CNC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 56411452 DGDYUPCGEIXQKZ-CQSZACIVSA-N 362.420 4.655 0 40 FJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1Cc1ccc(F)cc1 58404816 HERADVGSDBIYBI-HNNXBMFYSA-N 355.438 4.674 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 72213868 FPAIAEYNPMBOPY-HXUWFJFHSA-N 365.477 4.910 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 79112499 DXSOMBCQMXHTGM-GOSISDBHSA-N 350.805 4.925 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)C(F)(F)F 100645780 SOJQDXBZFFSIJW-UHFFFAOYSA-N 357.250 4.797 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)COc2ccc(Cl)cc2Cl)C1 102524840 GDTWHKADGQTWOU-YZVOILCLSA-N 372.336 4.634 0 40 FJAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 216961077 UURDUHHYTISQBL-UHFFFAOYSA-N 371.436 4.710 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1C(C)(C)C 223713517 SAOBANPHSLLQLF-IBGZPJMESA-N 369.505 4.645 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 225376968 NAZOMCRCRVFFJS-ZDUSSCGKSA-N 363.379 4.990 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1C 225707423 BBCVECFTKHBONC-INIZCTEOSA-N 370.518 4.836 0 40 FJAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 225774513 ULSCTAQDWZZBME-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(OCc2ccccc2Cl)c1 225776688 QIVDOJCHNNXIQO-STXHMFSFSA-N 355.865 4.837 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c2cccnc12 225895667 FQMOACYSXPNTND-NRFANRHFSA-N 358.482 4.948 0 40 FJAB CC[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3s2)c1 226776790 MIUIHGWPCCTWBD-UHFFFAOYSA-N 354.680 4.687 0 40 FJAB Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)c1 244970291 HRPLUBCGJLYOOW-PXNSSMCTSA-N 366.804 4.881 0 40 FJAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409350486 YHCCZXDCKMEMJD-RGEXLXHISA-N 367.470 4.753 0 40 FJAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccccc1 409373177 RVEXKCUHHCGJJK-UHFFFAOYSA-N 354.409 4.511 0 40 FJAB C[C@H]1C[C@H](CCNC(=O)N2Cc3ccccc3-c3ccccc3C2)CCO1 542304736 VTITTWFVSVSLQE-ZWKOTPCHSA-N 364.489 4.584 0 40 FJAB C[C@H](C(=O)N[C@H](C)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 682884 KGFBGESYIVHLMU-ZWKOTPCHSA-N 357.453 4.899 0 40 FJAB CCn1c(COc2ccccc2)nnc1SCc1ccccc1Cl 903495 IYNZSHIVFIYIAF-UHFFFAOYSA-N 359.882 4.823 0 40 FJAB CCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1 929088 KJXXTVDZJRSKBU-UHFFFAOYSA-N 352.459 4.794 0 40 FJAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCCCC3 1010230 VHZIYMJMOLPSAC-UHFFFAOYSA-N 351.475 4.790 0 40 FJAB CCCCNc1ncc2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 2444530 SCMVKNHPZXOMBS-INIZCTEOSA-N 351.494 4.899 0 40 FJAB O=c1oc2c3c4c(cc2cc1-c1nc2ccccc2s1)CCCN4CCC3 2525453 WYZWJLZUSHFFOR-UHFFFAOYSA-N 374.465 4.769 0 40 FJAB in-vitro COc1ccc(OC)c(NC(=O)CSc2ccc3ccccc3c2)c1 3382548 RNVQCTAPJQROOH-UHFFFAOYSA-N 353.443 4.588 0 40 FJAB COc1ccccc1[C@]1(CCNCc2ccccc2)CCOC(C)(C)C1 4027909 SYGFEMKESHDRBP-HSZRJFAPSA-N 353.506 4.702 0 40 FJAB biogenic CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 4151864 RQZLOCYCVKDAJG-OAHLLOKOSA-N 350.414 4.704 0 40 FJAB CC1=C(C)[C@H](Nc2cccc(C(F)(F)F)c2)N(Cc2ccccc2)C1=O 4608360 RCQZQIKOLZOCQV-GOSISDBHSA-N 360.379 4.822 0 40 FJAB COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1Cl 4740063 PVNHTPSNTYDXPM-UHFFFAOYSA-N 357.793 4.773 0 40 FJAB C[C@@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 4761607 ORRTWPPRCOXASV-HXUWFJFHSA-N 358.485 4.566 0 40 FJAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN23)cc1 4853939 ICGWILJVOKAAHS-URXFXBBRSA-N 368.436 4.748 0 40 FJAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 5047049 PDXDCUMTHDDLSF-UHFFFAOYSA-N 365.483 4.672 0 40 FJAB Cc1ccc(NCC(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1 5965986 LGQCHGWPYRTZNM-UHFFFAOYSA-N 364.876 4.966 0 40 FJAB CCOC(=O)c1c(NC(=O)/C(C)=C\c2ccccc2)sc2c1CCCC2 6463846 KFYWQJORFLQWEE-YPKPFQOOSA-N 369.486 4.846 0 40 FJAB COc1cc(CNCC(C)C)cc(Cl)c1OCc1ccccc1F 6883544 IQRHSBWEJVZZMO-UHFFFAOYSA-N 351.849 4.812 0 40 FJAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 6962039 YQBDTEHCINWIEI-UDWIEESQSA-N 373.412 4.519 0 40 FJAB Cc1ccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)c(C)c1 6964964 UWLHKYWREAVEPS-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 7073002 KSHAQPRSEPZLIN-OAHLLOKOSA-N 354.450 4.566 0 40 FJAB COc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1 8116528 ATVWSYJTGDOGJO-OEAKJJBVSA-N 361.397 4.723 0 40 FJAB CNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8377335 GQNCLNNDBADXSA-UHFFFAOYSA-N 360.668 4.954 0 40 FJAB CCCN(CCC)Cc1c(C)nc2ccc(Br)cc2c1O 8714076 SODQTLJHGNZSSP-UHFFFAOYSA-N 351.288 4.633 0 40 FJAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063505 ALZQWIKVEYOLFL-UHFFFAOYSA-N 368.496 4.801 0 40 FJAB CCOc1cc2c(cc1NC(=O)/C=C/c1cc3ccccc3o1)O[C@@H](C)C2 9112329 FWXJPDIKMLMJLA-VFNNOXKTSA-N 363.413 4.807 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl 10333532 ALGWIPALBMFHCL-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB O=C(CNc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 11124672 IRZCAEAKGNUSNK-IBGZPJMESA-N 356.878 4.719 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)CSc3ccncc3)cc2)cc1 12608462 YFAGNQNUUFPLLD-UHFFFAOYSA-N 350.443 4.913 0 40 FJAB C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1 12907628 TXJCYEVSDSNXNL-CQSZACIVSA-N 368.816 4.687 0 40 FJAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(C(F)(F)F)cc1 13925227 OGKSNRFUAYHGNR-ZROIWOOFSA-N 351.711 4.703 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(Cl)sc1Cl 14198648 OLOQRVBSTWWOMX-GFCCVEGCSA-N 373.305 4.605 0 40 FJAB CC(C)c1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)[nH]1 14201257 DJPPLIDMFRAKRY-QGZVFWFLSA-N 370.547 4.731 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cncc(Br)c1 14664085 ZPAQTLFLGSSESQ-UHFFFAOYSA-N 367.674 4.875 0 40 FJAB O=C(CCCc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 17305375 LGPHNEVBCUWGEO-UHFFFAOYSA-N 354.519 4.704 0 40 FJAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1cccnc1 17360479 VZWUIOYEETUPAM-GOSISDBHSA-N 353.399 4.964 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 17367012 WJCIAQKDDVUBBG-UHFFFAOYSA-N 371.440 4.636 0 40 FJAB C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19889677 XGHRSOOIFQRQQF-PUHATCMVSA-N 374.528 4.809 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1 20494739 JBCBMCOUOJRZGP-NRFANRHFSA-N 355.478 4.594 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 23058336 VXVUYFHVGUYBOW-CVEARBPZSA-N 368.477 4.801 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1c(-c2ccccc2)nc2sccn12 25739311 DDYPFCVNTDRHDB-UHFFFAOYSA-N 372.453 4.725 0 40 FJAB Cc1ccccc1-c1cc(C(=O)NCC2CCC2)c2cnn(C(C)C)c2n1 26142297 VZAUNPGJPXUESO-UHFFFAOYSA-N 362.477 4.518 0 40 FJAB C[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 26520659 OXOKGOBZFKDZIG-NSHDSACASA-N 372.337 4.587 0 40 FJAB C(=C\C[n+]1cccc(-c2ccccc2)c1)\C[n+]1cccc(-c2ccccc2)c1 28628936 JYXPVSUNIYAPSX-FPLPWBNLSA-N 364.492 4.852 0 40 FJAB CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 32603669 KRWZWMFNVXNHAW-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB O=C(NCCCSc1ccccc1)NCCCSc1ccccc1 32862828 RXSKTYZBLYRGDO-UHFFFAOYSA-N 360.548 4.650 0 40 FJAB Cc1nc2ccccc2nc1CSc1nnc2cc(C)c3ccccc3n12 36806850 ZKXFCXYSUQEIJZ-UHFFFAOYSA-N 371.469 4.735 0 40 FJAB CC(C)N(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 57413186 ZPOALDJFXULXPR-UHFFFAOYSA-N 353.853 4.781 0 40 FJAB O=C(c1cccnc1Nc1ccccc1F)N1CCc2ccc(Cl)cc21 58932494 ZBGVJGCUZHKGFV-UHFFFAOYSA-N 367.811 4.821 0 40 FJAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2Cc2ccccc2)n1 72376753 IUVIBVBVXNWYCY-HXUWFJFHSA-N 362.452 4.592 0 40 FJAB O=C([C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1)N1CCCCC1 84519354 PWZJKCOWPHNWTN-RTWAWAEBSA-N 368.908 4.671 0 40 FJAB Cc1csc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)n1 95476928 XHEIANXHFDGIOJ-HNNXBMFYSA-N 359.882 4.719 0 40 FJAB C[C@@H]1CCCC[C@@H]1OCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 95955449 OBWBPLIKWLIVAQ-CJNGLKHVSA-N 354.475 4.747 0 40 FJAB Fc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3ncnc3N2)cc1 101237890 XLXATJPLVCGCQO-OAHLLOKOSA-N 361.207 4.780 0 40 FJAB CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(C(F)(F)F)cc3)C2=C(O)C1 104004730 IDTLRXKCPSKOFL-HNNXBMFYSA-N 362.355 4.605 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113970634 KFZMSYUCNDXCLS-NHCUHLMSSA-N 355.478 4.737 0 40 FJAB C[C@H]1CN(C(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)C[C@@H](C)O1 138724002 WQYFXZAVWSDGBK-ZAYKHXHNSA-N 355.865 4.516 0 40 FJAB Cc1ccc(SCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218928202 USQYVNCNFZEHDN-UHFFFAOYSA-N 357.519 4.580 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccccc1C(C)C 223829290 KYGYXKQNXQBNDD-OAQYLSRUSA-N 369.505 4.779 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1 224064598 VBAKIADQIKVPPT-QFIPXVFZSA-N 353.506 4.902 0 40 FJAB COc1ccc(Cl)cc1NC(=S)NCCSCc1ccccc1 225219446 NULDLVLILGQEPN-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB COc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c(OC)c1 225848750 LLTZSXDUPDEDCX-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)c2)c1 257291192 QGBDNUOOOPABMT-KRWDZBQOSA-N 367.493 4.504 0 40 FJAB CN(C(=O)c1ccccc1SCc1cn2ccccc2n1)C1CCCC1 509508762 HXYCCALFNLYMNT-UHFFFAOYSA-N 365.502 4.641 0 40 FJAB O=C(CSC1CCCC1)Nc1ccccc1-c1cn2c(n1)CCCC2 585416399 UZFCGCRTDWMPQG-UHFFFAOYSA-N 355.507 4.501 0 40 FJAB C[C@H]1CN(c2cc(F)cc(NCc3ccc4cnccc4c3)c2)C[C@@H](C)O1 652042866 UKRGHJGNRRFHFR-IYBDPMFKSA-N 365.452 4.600 0 40 FJAB COCCOc1cccc(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1 665771895 UURFSAUYNRKRIA-HXUWFJFHSA-N 368.477 4.698 0 40 FJAB COc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)ccc1O 1240614816 WLCVIQBBCLGVKF-UHFFFAOYSA-N 355.397 4.587 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CSc2ccccc2)C(=O)CCC1 978752 OMVWPWLVRXFTKV-MRXNPFEDSA-N 365.498 4.622 0 40 FJAB CCc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1 2723075 PHRWVZHWHNPRQN-UHFFFAOYSA-N 365.502 4.782 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1C 3391522 MUNSHGYTARWEQA-MRXNPFEDSA-N 365.502 4.615 0 40 FJAB Cc1nc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cs1 3465929 ALOKWMFHGMJICM-UHFFFAOYSA-N 368.487 4.644 0 40 FJAB Cc1nc2sc(C(=O)Nc3cnc4ccccc4c3)c(N)c2c(C)c1C 4140797 OQTCHVCIIATNLI-UHFFFAOYSA-N 362.458 4.604 0 40 FJAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc3ccc(Br)cc23)C1 4170944 NNEVMBDBIWBOIP-FZKQIMNGSA-N 360.299 4.797 0 40 FJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 4700399 IFIBNNZUZVBRRJ-QFBILLFUSA-N 364.489 4.754 0 40 FJAB CCOc1ccc(C(C)=O)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 6063806 PLRJODINFJMZCI-UHFFFAOYSA-N 356.462 4.548 0 40 FJAB O=C(NCc1cccs1)c1cc(-c2cccs2)nn1-c1ccccc1 6259342 YOYSVFNUOMZWGX-UHFFFAOYSA-N 365.483 4.592 0 40 FJAB O=C(Nc1cccc(C(=O)OCc2ccc(Cl)cc2)c1)c1ccccc1 6595416 ZKIYEIIFOHIYKI-UHFFFAOYSA-N 365.816 4.949 0 40 FJAB C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C(C)(C)C)cc1 6957019 NHGYSOPWCVUWHZ-ZDUSSCGKSA-N 356.491 4.760 0 40 FJAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccccc1Br 7056510 GETQXMRQLVEQFK-UHFFFAOYSA-N 368.296 4.547 0 40 FJAB CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1Cl 7342901 JTXCUJAYBIJILM-YBEGLDIGSA-N 374.849 4.833 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)cc1OCC 8311945 ZDRZZGBVOPXRCN-AWEZNQCLSA-N 361.869 4.557 0 40 FJAB COc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 9190454 IBCWIFDWEMGYNV-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc2nc(-n3cccc3)sc2c1 12321880 ZZNMYBDETUUTTR-UHFFFAOYSA-N 358.426 4.821 0 40 FJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccccc1Cl 12980341 LXZPGWYVOAPHAW-IBGZPJMESA-N 374.868 4.858 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@@H](C)c3ccccc3)cc12 12998565 NCEBHBPPAOQHCA-HNNXBMFYSA-N 355.507 4.895 0 40 FJAB CC(C)Cn1c([C@@H](CNc2ccc(F)cc2)CC(=O)O)nc2ccccc21 17113352 JAJGACUCICOUHU-OAHLLOKOSA-N 369.440 4.502 0 40 FJAB CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(O)ccc12 18936062 HJECJKVMQYTXGA-UHFFFAOYSA-N 363.866 4.544 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(C)=O)c1 19932087 VQUVGJOYTGHWIQ-KRWDZBQOSA-N 362.882 4.808 0 40 FJAB O=C(Nc1ccccc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22053727 GGPHNDXBYJBKFR-UHFFFAOYSA-N 373.334 4.976 0 40 FJAB CCc1ccc(CN(C(=O)COc2c(C)cccc2C)c2ccccn2)cc1 27740184 VQIISOPTLRYFRG-UHFFFAOYSA-N 374.484 4.873 0 40 FJAB Cc1ccc(F)c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1 28236575 NBYPZTOXQCCNEK-VIFPVBQESA-N 363.742 4.511 0 40 FJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccccc1Cl 32072891 SQGGLYXKMWRLNL-UHFFFAOYSA-N 365.776 4.501 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1F 32900669 AWIPMNBOKVQETJ-UHFFFAOYSA-N 370.468 4.851 0 40 FJAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 36358222 HGEBDPMHEVCRAL-UHFFFAOYSA-N 353.447 4.589 0 40 FJAB Cc1cccc2nc(C(=O)Nc3ccccc3SCC(F)(F)F)cn12 36811348 ZDWXRXIEFDFJAX-UHFFFAOYSA-N 365.380 4.549 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39761237 XVGBJBAAZNNAKZ-SFHVURJKSA-N 368.496 4.532 0 40 FJAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 39918218 DKJPITTXINOTEH-MRXNPFEDSA-N 370.880 4.674 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCOc1ccc(F)cc1 41107811 PIAWOCWSOXQGKE-UHFFFAOYSA-N 373.811 4.856 0 40 FJAB CC(=O)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 41151217 UQHSTRPUVXQNJB-UHFFFAOYSA-N 358.401 4.781 0 40 FJAB O=C(c1ccccc1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCC2 45932661 JXKLDCMVOHDVNV-UHFFFAOYSA-N 368.889 4.883 0 40 FJAB CCCc1noc([C@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 48373958 FAGXTDVOFQSQAC-LBPRGKRZSA-N 374.872 4.757 0 40 FJAB O=[S@](CCCOc1ccc(F)cc1)Cc1c(Cl)cccc1Cl 58132539 WLIDJDCOEICMBP-QFIPXVFZSA-N 361.265 4.850 0 40 FJAB O=C(Cc1cccs1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 58177790 KDJHJNXUSBCSNQ-IBGZPJMESA-N 357.425 4.669 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1C 67296200 NJPAGYCIWSSXKC-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB CC(C)c1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)no1 72260051 AMUNCRDRDSXCCI-UHFFFAOYSA-N 361.854 4.505 0 40 FJAB Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)c1C 79110541 VPBZYFHOLLYAKS-NHCUHLMSSA-N 360.461 4.550 0 40 FJAB COCCn1c(S[C@@H](C)c2nccs2)nc2cc(Cl)ccc21 96010383 MEIZDIHIPQSCHZ-JTQLQIEISA-N 353.900 4.646 0 40 FJAB CC(=O)Nc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 96767630 QIWHQFCONUOEQV-QINSGFPZSA-N 366.442 4.660 0 40 FJAB O=C(CCc1cccc2ccccc12)NCCCN1CCCc2ccccc21 222680913 UGIVDRMSLYTGGM-UHFFFAOYSA-N 372.512 4.732 0 40 FJAB Cc1cc(C)c(NC(=S)NC[C@@H](C)N2CCCC[C@H]2C)c(Cl)c1 245224733 CLQOWQIQBDGAFV-HUUCEWRRSA-N 353.963 4.506 0 40 FJAB COc1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1OCc1ccccc1 408616900 AOYRPCGLUFMFKE-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(C)C)ccc1OC 408700888 NQSOAWAEDGIBGU-UHFFFAOYSA-N 361.507 4.744 0 40 FJAB COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SC)c1 1187964803 LLHMNTJQNWDBAN-UNOMPAQXSA-N 366.486 4.925 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2Br)cc1 1653315313 ZEUDQPPRKWNQRA-UHFFFAOYSA-N 369.280 4.514 0 40 FJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2ccsc2)CC1 1889249493 OWRYPBSYVVKYRN-UHFFFAOYSA-N 353.409 4.548 0 40 FJAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2ccccc2Cl)o1 846021 LAELXUYQZVFUAK-UHFFFAOYSA-N 359.168 4.817 0 40 FJAB O=C(COC(=O)/C=C/c1cccc2ccccc12)Nc1ccccc1Cl 957203 SAFDCEOWBWQDPI-OUKQBFOZSA-N 365.816 4.688 0 40 FJAB CCc1ccccc1NC(=S)N1CCC(c2nc3ccccc3o2)CC1 1327016 AHGBZQSCSYIUNL-UHFFFAOYSA-N 365.502 4.967 0 40 FJAB O=C(Oc1ccc(C(=O)c2ccccc2)cc1)C(Cl)=C(Cl)Cl 1621302 JWDDHAMMRSKDRA-UHFFFAOYSA-N 355.604 4.709 0 40 FJAB CCOP(=O)(OCC)[C@H](Sc1ccc(C)cc1)C(=O)N(CC)CC 1821882 PEVCUUGIMZXVIF-QGZVFWFLSA-N 373.455 4.548 0 40 FJAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Cl)c3)cc12 2271392 JEFPPHWPQVQQLA-UHFFFAOYSA-N 371.820 4.536 0 40 FJAB Cc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1C 2352276 RXYJBFRNSJLISD-UHFFFAOYSA-N 359.469 4.631 0 40 FJAB CCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 2413380 FEOWBXIOUPSRQH-UHFFFAOYSA-N 364.836 4.819 0 40 FJAB COc1ccccc1C(=O)CSc1nnc(Nc2ccccc2C)s1 3221993 AUFRCEAYFHEFIK-UHFFFAOYSA-N 371.487 4.574 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 3326909 QCWFDOPBUSKQPA-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB Cc1c(C(=O)OCC(=O)c2ccccc2)oc2ccc(Br)cc12 3517311 SZCIXJMSRJAWMF-UHFFFAOYSA-N 373.202 4.543 0 40 FJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)o1 4349619 WNJOFPPXVMCIJF-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB Cc1csc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)cn12 5083660 NHCWKVOJHUAWPX-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 5292595 NLAQDWLVSJTMQQ-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB O=C(NC1CCCCC1)Oc1cccc(NC(=S)Nc2ccccc2)c1 5581925 NENLEXPRSUFZGT-UHFFFAOYSA-N 369.490 4.917 0 40 FJAB CCCCCC[C@@]1(C)NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 5865681 SCFAMJAUIHDCGP-QGZVFWFLSA-N 357.281 4.774 0 40 FJAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 6038244 XIXMALJRBDASNN-UHFFFAOYSA-N 374.440 4.843 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(C(=O)c2ccccc2)cc1 6388026 TWBHUKWJTYHYNR-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CSc2c(Cl)cccc2Cl)c1 6628341 QUMPAUSHQKZJQN-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB Cc1cc(NC(=O)c2nc(-c3ccccc3)oc2C)ccc1Br 6638359 ANJNYDNDFUIGPJ-UHFFFAOYSA-N 371.234 4.973 0 40 FJAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1ccccc1 6788169 JUCBTTQLRWWMOL-LLVKDONJSA-N 374.466 4.540 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 7080045 KSHAQPRSEPZLIN-HNNXBMFYSA-N 354.450 4.566 0 40 FJAB COc1ccc(CNCc2cccc(OC)c2OCc2ccccc2)cc1 7538314 IPSFVJUVMNYEIV-UHFFFAOYSA-N 363.457 4.573 0 40 FJAB O=C(/C=C/c1sc2ccccc2c1Cl)NCc1ccc2c(c1)OCO2 7911827 VHKSXGJQILLQNZ-BQYQJAHWSA-N 371.845 4.613 0 40 FJAB Cc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C1 8559420 OLJOQQFBPLQFQE-SFHVURJKSA-N 367.452 4.926 0 40 FJAB Cc1ccc(N(Cc2cccs2)C(=O)COc2cccc(C)c2)cc1 8586640 IHZJACYAPIVPKK-UHFFFAOYSA-N 351.471 4.977 0 40 FJAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4cccnc4)nnc3s2)cc1 9049995 QWIOVMQVKQHWFS-AWEZNQCLSA-N 363.490 4.598 0 40 FJAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)CC(C)(C)O4)S2)cc1 10299395 JDZJEMHAKSJTKY-WOJGMQOQSA-N 364.470 4.791 0 40 FJAB Cc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 10639652 USZRHNYDNOYMAD-CQSZACIVSA-N 357.404 4.582 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2)C1CC1 12428466 FGDFLVPEUULHOW-UHFFFAOYSA-N 365.307 4.575 0 40 FJAB CCC[C@H](C)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 12855671 JZMXENWBTGXXQL-JTQLQIEISA-N 357.306 4.964 0 40 FJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)cc1 13786935 WGYUNJBUDLXZGQ-MDNUFGMLSA-N 369.480 4.703 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 13946690 LJTLMKKKPSTDOK-UHFFFAOYSA-N 365.498 4.695 0 40 FJAB Cc1[nH]c2ccccc2c1/C=C1\N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 14013426 BUZILAUUEJVSRM-UKWGHVSLSA-N 360.457 4.989 0 40 FJAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)NCc3ccccc3)ccc21 14092798 HZQPICNOWBBDJT-KRWDZBQOSA-N 371.484 4.931 0 40 FJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(F)c1 14257947 GEOFVZIMNYMVLG-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB O=c1c2ccccc2nc(SCCOc2ccccc2)n1-c1ccccc1 15225457 XGIOMLOKRURETM-UHFFFAOYSA-N 374.465 4.557 0 40 FJAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1cccs1 15777689 VDGPUSJOPJKNFV-UHFFFAOYSA-N 368.458 4.851 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 20482456 RANKGAZPNXXJJI-LAUBAEHRSA-N 355.478 4.675 0 40 FJAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)CCC(C)C)cs1 22240288 AYLZAVXJQCTIRP-OAHLLOKOSA-N 360.523 4.692 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 22397847 CQILDYCESWHVIV-UHFFFAOYSA-N 371.742 4.772 0 40 FJAB O=C(CSC(c1ccccc1)c1ccccc1)NOCc1ccccc1 25035736 MPBAYAXRHGDUSM-UHFFFAOYSA-N 363.482 4.757 0 40 FJAB Cc1ccc(-c2nc3ccc(Cl)cn3c2NC(=O)c2ccco2)cc1 27019139 DFPQFQXRDPCTMR-UHFFFAOYSA-N 351.793 4.808 0 40 FJAB CCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 29075204 MQLDRJUPJWKXCA-UHFFFAOYSA-N 372.424 4.518 0 40 FJAB COc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1 29456627 MWPWKYNIRVLSME-OAQYLSRUSA-N 357.413 4.608 0 40 FJAB COc1ccc([C@H](C)NCc2cccc(OCc3ccccn3)c2)cc1F 30628197 BQMAWUVHUQYWFC-INIZCTEOSA-N 366.436 4.659 0 40 FJAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12 37866319 GAJNSYFOLYIDBY-UHFFFAOYSA-N 353.378 4.530 0 40 FJAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(OCc3cccnc3)cc2)s1 40155950 WGAUKWMGJRWTGQ-MRXNPFEDSA-N 366.486 4.864 0 40 FJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-c2ccccc2F)o1 58367779 LYTGYKOKNFXNPI-UHFFFAOYSA-N 353.378 4.790 0 40 FJAB C[C@H]1CCCCCN1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 72285062 MPXKGTPIFDOTRV-INIZCTEOSA-N 351.450 4.735 0 40 FJAB O=C([C@H]1Cc2ccccc2O1)N(Cc1cccs1)c1ccc(F)cc1F 84581729 LSMHCXCWMGZFOJ-LJQANCHMSA-N 371.408 4.563 0 40 FJAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 100977846 GMGBRDSJJKPBIJ-HNNXBMFYSA-N 361.207 4.780 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C[C@H]1c1ccccc1F 104490704 BITHJRXCCJZHMN-YOEHRIQHSA-N 370.811 4.728 0 40 FJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](C(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118935286 BWTUOEBFEPGMCK-AGOGEJHMSA-N 358.522 4.619 0 40 FJAB CCn1c(S[C@@H]2CCc3c(Cl)cccc32)nnc1-c1ccncc1 161712335 JSTPRVPJFZOMEN-MRXNPFEDSA-N 356.882 4.793 0 40 FJAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 214253869 ZFTPNSHLQBYBCY-VCHYOVAHSA-N 366.417 4.852 0 40 FJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1cccc(C)c1C 223659865 UZTLWSIRFAZYEQ-STZFKDTASA-N 374.440 4.614 0 40 FJAB CCO[C@@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@H](C)C1 225831107 NLXIQFPMGMFULV-SJCJKPOMSA-N 359.388 4.638 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(C(F)(F)F)c2)C1 228912035 CFQVXCHECAIJDQ-ZDUSSCGKSA-N 358.404 4.764 0 40 FJAB O=C(NCc1ccc(-c2ccncc2)cc1)N[C@@H](Cc1ccccc1)C1CC1 525317577 FNJNIHWZKPNMHU-QHCPKHFHSA-N 371.484 4.569 0 40 FJAB COc1ccc(Cl)cc1NC(=O)NCc1cccnc1-c1ccsc1 585366581 ISQAAGKRIHDQLK-UHFFFAOYSA-N 373.865 4.794 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)c4ccccc4OC)c(N)c3cc2C1 661994 MSEIELMXRFHCEK-LBPRGKRZSA-N 366.486 4.633 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCO2)N(C1CCCCC1)C1CCCCC1 722233 NSZJUUKNNAYKBF-WYMLVPIESA-N 355.478 4.923 0 40 FJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4cccs4)n3c2c1 903110 OIZVULWLOINPCP-UHFFFAOYSA-N 353.472 4.536 0 40 FJAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)c1 2736398 HEVYDOBKGUBDRL-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 3366536 ACYKAVGVJCOVHV-JOYOIKCWSA-N 366.836 4.541 0 40 FJAB CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 3554059 STZFZBATURHTBS-JOCHJYFZSA-N 374.440 4.685 0 40 FJAB COc1ccc2nc(Nc3nc4c(s3)C(=O)CC(C)(C)C4)sc2c1 4137724 SAGAGYKWVAMXNN-UHFFFAOYSA-N 359.476 4.660 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138247 KUCUVTJGJMPFED-UHFFFAOYSA-N 352.865 4.559 0 40 FJAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(Br)cc1 4223984 NPNGKNYVOZIGRJ-UHFFFAOYSA-N 371.259 4.729 0 40 FJAB CCOC1(OCC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C=CC[C@H]12 5049680 KGFLNQYTPLJOAL-GAQJKIJGSA-N 358.092 4.620 0 40 FJAB COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1 5210995 LQXVIXZBBCNFTE-CCEZHUSRSA-N 354.409 4.565 0 40 FJAB CCCCN(CCCC)CCOCCOCCN(CCCC)CCCC 5298101 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CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1ncccn1 10861407 ZDALMDPSYZJOPG-UHFFFAOYSA-N 363.914 4.766 0 40 FJAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc2[nH]cnc2c1 11597491 MUCNXUYCFVMHNG-UHFFFAOYSA-N 360.442 4.503 0 40 FJAB Cc1ccc(SCCCC(=O)Nc2nnc(Cc3cccs3)o2)cc1 13653531 LFQDFGVNKJTTLM-UHFFFAOYSA-N 373.503 4.541 0 40 FJAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1N1CCCC1 14095908 FTHSBBBQSKEJMV-HNNXBMFYSA-N 368.506 4.591 0 40 FJAB Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1NC(=O)c1ccco1 14251866 WYYZCWDSBMKATB-INIZCTEOSA-N 362.429 4.674 0 40 FJAB CC(C)c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 23717715 BGLBBDKZKQLXGQ-UHFFFAOYSA-N 363.427 4.546 0 40 FJAB CCn1cnnc1-c1cccc(NC(=O)c2cc3c(F)cccc3s2)c1 25281417 YVAICKVFDWTYTM-UHFFFAOYSA-N 366.421 4.571 0 40 FJAB Cc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1C 27583009 OGRHPNRQQDVSKP-UHFFFAOYSA-N 365.364 4.799 0 40 FJAB COc1ccc(NC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 28218968 PLYOKOITMDARRA-UHFFFAOYSA-N 372.428 4.737 0 40 FJAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1n[nH]c2ccccc12 29357977 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FJAB O=C(Cc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357736 HKSAKSRIKDFVKO-QHCPKHFHSA-N 356.469 4.579 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CCC(CSc2ccccn2)CC1 85472304 HRLVPSRDTOENJD-UHFFFAOYSA-N 364.873 4.519 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 95364840 JRMFGZBULPLMGX-UHFFFAOYSA-N 373.815 4.543 0 40 FJAB Cc1cc2ncn(S(=O)(=O)c3cc(Cl)c(Cl)cc3C)c2cc1C 95946139 POGGLCDWPNAWAI-UHFFFAOYSA-N 369.273 4.505 0 40 FJAB Cc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)o1 96038173 NZQPXSZJHPPUBT-UHFFFAOYSA-N 372.472 4.677 0 40 FJAB C[C@H](C(=O)Nc1ccc(F)cc1F)c1cccc(C(=O)c2ccccc2)c1 98073351 ZUXFVZQWXGOYMH-AWEZNQCLSA-N 365.379 4.938 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222959504 WACMGOIEFWKBFF-CABCVRRESA-N 357.881 4.864 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222978047 IGCITRZYQQJTDH-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 223435556 QOBBRRZBFQYHCH-UHFFFAOYSA-N 362.303 4.825 0 40 FJAB COc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1Cl 225124003 YTIHNSSWHDHDHE-IBGZPJMESA-N 356.805 4.577 0 40 FJAB C[C@H](COc1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl 225380109 ZXTCHMKXSWKWSF-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB CCOc1ccccc1NC(=S)NCCCSc1ccc(C)cc1 225586895 PRXPYEDDNWPIFP-UHFFFAOYSA-N 360.548 4.863 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1ccc(Oc2nccs2)cc1 225647643 OCHIQXJDAJJFCE-UHFFFAOYSA-N 374.465 4.948 0 40 FJAB COc1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225808220 OARFYYXVIXGAOS-UHFFFAOYSA-N 350.487 4.768 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC[C@H]1C 226330296 FJZOWCPPHSSXAB-CQSZACIVSA-N 357.885 4.862 0 40 FJAB Cc1ccc(COc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1 256028142 VPHYNSRXUBYAFS-UHFFFAOYSA-N 358.397 4.816 0 40 FJAB COc1cccc(CSc2nc3cc4c(cc3cc2C)OCCO4)c1 928364 FWEJVDUIANLORI-UHFFFAOYSA-N 353.443 4.615 0 40 FJAB O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3ccccc3Cl)N12 1035659 NJUDIQFWQUWUTH-IBGZPJMESA-N 366.873 4.684 0 40 FJAB O=C1/C(=C\c2ccccc2Cl)N=C(c2ccccc2)N1Nc1ccccc1 1252063 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CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C)c1C 3902246 OMQMPNFLEOFVAR-UHFFFAOYSA-N 361.507 4.697 0 40 FJAB Cc1occc1-c1nnc(SCc2csc(-c3ccccc3)n2)n1C 4947676 CXSVNSVENVCQFY-UHFFFAOYSA-N 368.487 4.799 0 40 FJAB Clc1ccc(-c2nnc3n2N=C(c2ccc(Cl)s2)CS3)cc1 5843917 XPXLNCABVDEYJZ-UHFFFAOYSA-N 367.286 4.672 0 40 FJAB CC[C@H]1[C@@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 5882613 QFCVBBVIEYWCNL-SWDCCWFVSA-N 358.441 4.584 0 40 FJAB Clc1ccc(-c2nnc3n2N=C(c2cccc(Cl)c2)CS3)cc1 6471358 UAATVVSFMPPQAO-UHFFFAOYSA-N 361.257 4.610 0 40 FJAB CSc1nc2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2s1 6585109 SSLRYXRSSJQPSK-UHFFFAOYSA-N 366.414 4.872 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)CSC2=Nc3ccccc3CS2)c1C 6588149 UHCVHTLIFPISAM-UHFFFAOYSA-N 358.488 4.685 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2c(C)cccc2C)cc1 6810680 ZNCSWKVOEOERRZ-UHFFFAOYSA-N 363.457 4.813 0 40 FJAB CC[C@H](C(=O)OCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 7419252 HXHGTVXBVCYXGK-INIZCTEOSA-N 356.809 4.627 0 40 FJAB C[C@H](O)c1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1 7540794 OXUZQYCYZLOOHN-IACKSGLISA-N 351.490 4.914 0 40 FJAB c1ccc(CCCc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393196 YITCBSRAGWIXMJ-UHFFFAOYSA-N 366.515 4.653 0 40 FJAB O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1C(=O)N1CCCC1 8722799 AVYJCKGZWAJQRF-CCEZHUSRSA-N 370.452 4.728 0 40 FJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc2c1C 9118190 BKQXYJJGPVUPIY-UHFFFAOYSA-N 361.489 4.657 0 40 FJAB CSc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 10157937 VGFYUMRZYXHDHP-UHFFFAOYSA-N 363.895 4.669 0 40 FJAB CC(C)c1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 10313842 OIUOSPAGZZMNPV-UHFFFAOYSA-N 370.924 4.745 0 40 FJAB Cc1cc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c(C)c1 12619404 ICDIEHPFGSNMCW-UHFFFAOYSA-N 363.436 4.678 0 40 FJAB CCC[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccccc1 12796718 ZGCDHBRSBTYZQH-MRXNPFEDSA-N 350.231 4.859 0 40 FJAB COc1ccc(Br)c(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 12973445 DSVVNSPHRROKSG-LLVKDONJSA-N 374.234 4.695 0 40 FJAB C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1cccc(F)c1 12982855 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CCOC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3cc2OC)c1 44840875 NCZIMEBELIFYRQ-UHFFFAOYSA-N 363.413 4.586 0 40 FJAB CCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 45668469 XKGGKYFFTYDVNR-UHFFFAOYSA-N 363.436 4.705 0 40 FJAB CSc1nnc(S[C@@H](C)c2nc3ccccc3n2C(F)F)s1 46552452 FABWMMLFAYVUPZ-ZETCQYMHSA-N 358.464 4.858 0 40 FJAB Cc1cccc(-c2csc3c(=O)[nH]c(N4CCc5ccccc5C4)nc23)c1 48985957 FQETTWZYCBEFFA-UHFFFAOYSA-N 373.481 4.523 0 40 FJAB Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3F)cs2)cc1 58174547 YJQDPZGDENCYEU-UHFFFAOYSA-N 355.438 4.622 0 40 FJAB CC[C@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccccc1 71195080 RATQHWQMMSMGRC-CYBMUJFWSA-N 356.372 4.543 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1c[nH]nc1-c1ccc(Cl)cc1 71280913 USHSZGJRJCQHMM-CYBMUJFWSA-N 355.829 4.631 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(N(CC)CC)nc1 84736551 XYLACYIHURSKOL-INIZCTEOSA-N 358.511 4.531 0 40 FJAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)Nc1ccccc1Cl 89866578 AUXOYVMMQPGNEE-UHFFFAOYSA-N 365.864 4.549 0 40 FJAB CCC[C@H](C)C(=O)Nc1cc(CNC(=O)[C@H](C)CCC)ccc1Cl 95432182 HSCOLEOFMSCSIO-KGLIPLIRSA-N 352.906 4.767 0 40 FJAB CC(C)c1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 102047800 JOXLJXQXXAZXMA-GOSISDBHSA-N 351.841 4.506 0 40 FJAB CCOc1ccc(C2=C[C@@H](c3ccccc3F)n3ncnc3N2)cc1Cl 102799281 UHAYCKQTFHHMRO-KRWDZBQOSA-N 370.815 4.525 0 40 FJAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 113970376 SYVUTULPINRXNF-LJQANCHMSA-N 361.869 4.521 0 40 FJAB Cc1cccc(CSCCNC(=O)COc2cccc3ccccc23)c1 218909098 RJUMWPWMDUOCMG-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccccc2Cl)cc1 222891760 XZBQKGJRPUQRPG-HXUWFJFHSA-N 359.897 4.809 0 40 FJAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222948850 TZHPKMJGTGQWFA-SFHVURJKSA-N 351.490 4.910 0 40 FJAB CCCOc1ccccc1CCCNC(=O)Cc1ccc(Cl)cc1F 223166048 SPHMCVVFPHHYEE-UHFFFAOYSA-N 363.860 4.559 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccc(Cl)cc1 223559107 SLYPSSJPAPUBIR-MRXNPFEDSA-N 371.908 4.735 0 40 FJAB Cc1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)nc1 223913887 MNBQLHGKRIXIGN-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB O=C(NCc1ccc(Cl)cc1Cl)c1snnc1-c1cccs1 225787189 HYQDGMCKMBSXHP-UHFFFAOYSA-N 370.286 4.503 0 40 FJAB COc1cc2c(cc1C)-c1nc(Nc3ccc(C(=O)O)cc3)sc1CC2 408884698 YDQRZNDHQJLMSY-UHFFFAOYSA-N 366.442 4.668 0 40 FJAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(C2CCCC2)CC1 585281146 FKQCDCRPKXLVIL-UHFFFAOYSA-N 358.309 4.796 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)Nc1c(F)cccc1F 1775977100 GADROFQPSRXTHZ-INIZCTEOSA-N 374.412 4.548 0 40 FJAB COC(=O)c1ccc(Oc2c(C)cc(F)cc2C)c(Br)c1 1857793468 QKJRISBZBONTRG-UHFFFAOYSA-N 353.187 4.784 0 40 FJAB Fc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1F 2055725645 ULTFBKZUJDVXKA-FCHUYYIVSA-N 357.444 4.577 0 40 FJAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccc2ncsc2c1 2086896846 NKIXHGGGGZJJMW-UHFFFAOYSA-N 354.456 4.590 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCCc2ccccc2)cc1Br 676766 PRQCMSLSJKCLFT-UHFFFAOYSA-N 360.295 4.719 0 40 FJAB Cc1cccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)c1 683228 LVEHJJBVNITMOE-UHFFFAOYSA-N 358.869 4.677 0 40 FJAB CCOc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1 907398 SEWCEMQHMZTTEW-UHFFFAOYSA-N 363.442 4.683 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 936135 MUKCMFBALKGJMK-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc(OC)c1 955141 LUYWQPRKCWARCI-UHFFFAOYSA-N 350.418 4.726 0 40 FJAB CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 994280 XZKRZIRFLSOVKD-LBPRGKRZSA-N 368.296 4.763 0 40 FJAB O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 1076652 KXICJZRPOKOMAT-UHFFFAOYSA-N 374.318 4.803 0 40 FJAB O=C1NC(=O)/C(=C\c2ccccc2Oc2cccc(C(F)(F)F)c2)S1 1392786 GPZGXTAAHVVCCF-RIYZIHGNSA-N 365.332 4.822 0 40 FJAB CC(C)(C)c1nn(-c2ccc(C(F)(F)F)cn2)c2c1C(=O)c1ccccc1-2 2571143 VMQHZGVLTIHDDQ-UHFFFAOYSA-N 371.362 4.795 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1 2748762 FKWFUCIOWNSZOP-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc(F)c1 3131905 HBJGIKWZQFTTGP-OVCLIPMQSA-N 362.813 4.585 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)c1cc2ccccc2o1 3217703 CSHMYHIAKMLRDQ-UHFFFAOYSA-N 363.196 4.708 0 40 FJAB Cc1ccc(NC(=O)CSc2ccc(Br)cc2)c(C)c1 3441642 NPVLRUKIXKPPQU-UHFFFAOYSA-N 350.281 4.797 0 40 FJAB CCN(CC)C(=O)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340237 CGZNNTJUYHEYPI-UHFFFAOYSA-N 351.402 4.609 0 40 FJAB biogenic Cc1cc(C)c(NC(=O)[C@@H]2CCCN2C23CC4CC(CC(C4)C2)C3)c(C)c1 4672948 BFFNCKPHSZVHRB-PQCJFMQRSA-N 366.549 4.984 0 40 FJAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 5417164 VJTQCUWRSRWMOR-OAHLLOKOSA-N 366.490 4.645 0 40 FJAB Cc1cc2oc(-c3ccccc3Cl)c(O[C@@H](C)C(=O)O)c(=O)c2cc1C 5580115 YSNGWXLFGHHFDO-LBPRGKRZSA-N 372.804 4.582 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1OC 6185624 KQVOSRKEVYCJTF-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1 6301053 CMMMXOPDRNSBOM-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)COc1ccccc1-c1ccccc1 6785056 PONSURWUZCJUBC-LJQANCHMSA-N 359.469 4.870 0 40 FJAB CC(C)Cc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 6790476 GAMFWJIJGAUQGL-UHFFFAOYSA-N 351.475 4.585 0 40 FJAB COc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)=NN2)cc1 6973403 AMAKORSWXOLBKQ-UHFFFAOYSA-N 361.832 4.783 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 7077282 PBAASEWHXSRTPG-INIZCTEOSA-N 370.518 4.644 0 40 FJAB COc1ccc(CNCc2cccc(OCc3ccccc3F)c2)cc1 7538410 UWUNOQWWHMIZIR-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB COc1cccc(CCC(=O)Nc2ccccc2-c2ccccc2)c1OC 7987956 PVQXUJGTNRNBEU-UHFFFAOYSA-N 361.441 4.942 0 40 FJAB FC(F)(F)c1nc(Nc2ccc3c(c2)OCCCO3)c2ccccc2n1 8230076 YGEOMNBZGRUQKV-UHFFFAOYSA-N 361.323 4.554 0 40 FJAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 8477864 POSMXNOXFBLPGI-UHFFFAOYSA-N 368.502 4.675 0 40 FJAB CCc1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 8539067 CRGJZNMSAYUKSO-UHFFFAOYSA-N 370.547 4.983 0 40 FJAB CSc1ccccc1C(=O)N(Cc1nnc(-c2ccccc2)o1)C(C)C 8735350 KGXHBCNBGQSPIF-UHFFFAOYSA-N 367.474 4.509 0 40 FJAB C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N(C)C)cc1 11436033 ODXWGKMXHUXMGJ-LBPRGKRZSA-N 368.424 4.891 0 40 FJAB Cn1ccnc1SCc1cc(NCc2cccs2)c2ccccc2n1 12520793 XVUOZKZHXZTEGP-UHFFFAOYSA-N 366.515 4.934 0 40 FJAB CC(C)c1noc([C@@H](C)Sc2nnc(Nc3ccc(F)cc3)s2)n1 12924284 MBNPJQLPRXWVPE-SECBINFHSA-N 365.459 4.781 0 40 FJAB COc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12975674 ZPRWWYMMBGNGNW-GOSISDBHSA-N 356.422 4.807 0 40 FJAB Cc1ccsc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)c1ccco1 13013649 XEIIECXUMCOTAQ-INIZCTEOSA-N 354.406 4.780 0 40 FJAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1 13563218 BTHPRQAWDHJYDX-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB O=C(CC1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20509502 GRMQGXMINLHGPT-UHFFFAOYSA-N 362.517 4.501 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)c1 21141721 CAWQQYPVJCHVMI-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1C 22250655 HBEJYHMEVIVOJS-UHFFFAOYSA-N 352.203 4.548 0 40 FJAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)c(Cl)c1 22783248 XMXOLDLDVSFFKE-LLVKDONJSA-N 370.276 4.870 0 40 FJAB Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c(C)n1Cc1ccco1 23296680 OFDBIFLHXANRET-UHFFFAOYSA-N 374.843 4.811 0 40 FJAB CCOc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1 33298203 YGUSNGQGFYLVQW-UHFFFAOYSA-N 363.442 4.850 0 40 FJAB COC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 39372533 FFXSSHZQGIVFIB-UHFFFAOYSA-N 367.445 4.538 0 40 FJAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(OC)cc1 44946596 QAEQLDHCDVCOLP-SFHVURJKSA-N 361.869 4.612 0 40 FJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2cccc(OC(F)F)c2)C1 49543874 CHUSQFQJZLHZFY-INIZCTEOSA-N 369.371 4.656 0 40 FJAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N(Cc1ccco1)C1CCCC1 58407136 VPUUEJFCCNPVPA-UHFFFAOYSA-N 369.852 4.704 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3ccc(F)c(F)c3)o2)s1 60016745 BOAWOYLNNKBKLA-OAHLLOKOSA-N 361.417 4.722 0 40 FJAB COc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)cc1 72229587 DMHSSYAOTLWHMK-CYBMUJFWSA-N 373.884 4.562 0 40 FJAB Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 72348818 MBVYXOCYROPMRH-HXUWFJFHSA-N 361.464 4.586 0 40 FJAB CCc1cccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 75172187 BQNULADFZAMMPB-UHFFFAOYSA-N 352.369 4.614 0 40 FJAB O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1cccs1)N1CCCCC1 84519404 DBSOKDODALVEDE-QUCCMNQESA-N 354.519 4.639 0 40 FJAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 219293813 YUEXWMSXBHTJML-MRXNPFEDSA-N 359.897 4.980 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222987028 JRRSAZFJIICEMB-UXHICEINSA-N 368.550 4.771 0 40 FJAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccncc1 224002445 XPLFHHIKRXJHAT-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c1 224223630 RGUUTIULGHIXIA-OALUTQOASA-N 365.527 4.937 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(Cl)cc2F)cc1 224354396 QZUOUUKBSVQXSQ-IBGZPJMESA-N 363.860 4.934 0 40 FJAB CCOc1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1 225293584 PLFTVHNIIDDJBW-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225464204 MCKQGYNNNWCRGK-LLVKDONJSA-N 354.397 4.762 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 225635684 DBAVNJAEIBHMNM-LBPRGKRZSA-N 352.862 4.541 0 40 FJAB Cc1cc(N)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 226359220 XUQXTKNVJADBII-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257338361 YXAIXNCJIYSCCN-GOSISDBHSA-N 370.468 4.691 0 40 FJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1C(C)C 260772138 MLYAJRIGQZEAAA-NIKGAXFTSA-N 354.523 4.670 0 40 FJAB Cc1nc2cc(C(=O)N(C)CCc3ccccc3)ccc2n1-c1ccccc1 328589342 KOYCHDGRJUREKV-UHFFFAOYSA-N 369.468 4.649 0 40 FJAB CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccccc1 408559643 ANHLVZUDLQPDSS-DQRAZIAOSA-N 350.487 4.930 0 40 FJAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409416205 FWFUVNIDIMHOPW-KXFIGUGUSA-N 356.636 4.724 0 40 FJAB COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1 669699 WTDXZMRWHKLIAY-MRXNPFEDSA-N 360.457 4.925 0 40 FJAB CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(C)cc1 903526 XIFVWZOPEGVCCF-UHFFFAOYSA-N 353.491 4.786 0 40 FJAB c1ccc(CCn2c(SCc3ccccc3)nnc2-c2ccncc2)cc1 915294 WTWRQVIWNXIWBO-UHFFFAOYSA-N 372.497 4.875 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 1290948 ZADQOWLNYUZXOE-LBPRGKRZSA-N 356.516 4.684 0 40 FJAB O=C1Nc2ccccc2[C@H]1Cc1cccn1-c1ccc(OC(F)(F)F)cc1 1407091 JRPPABOOANVXES-QGZVFWFLSA-N 372.346 4.654 0 40 FJAB Cc1oc2cc3oc(=O)c(CCC(=O)O)c(C)c3cc2c1-c1ccccc1 2140354 FSBPSGLXPOSHDW-UHFFFAOYSA-N 362.381 4.840 0 40 FJAB biogenic CCCCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C 2240971 IUFPYMYTGCKTOB-UHFFFAOYSA-N 354.475 4.786 0 40 FJAB Cc1ccc2c(c1)[nH]c1c(N3CCC(Cc4ccccc4)CC3)ncnc12 2416601 JXFIUOKIXPZUIG-UHFFFAOYSA-N 356.473 4.879 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1c(Cl)nc2ccccn12 3331432 OBKKRJKPSQAYKO-UHFFFAOYSA-N 361.832 4.507 0 40 FJAB Cc1sc2ncnc(SCc3nnc(-c4cccs4)o3)c2c1C 3345521 KVIMSWCAZJTJTI-UHFFFAOYSA-N 360.489 4.712 0 40 FJAB Clc1cc2c(c(CSc3ncnc4sccc34)c1)OCOC2 3352602 CJVCKTBWXJWHSZ-UHFFFAOYSA-N 350.852 4.504 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)CSc1ncnc2ccccc12 3390308 NQDFWUUMKPQDMN-UHFFFAOYSA-N 351.475 4.658 0 40 FJAB CCSC1=NC(/C=C/c2ccc(OC(F)(F)F)cc2)=CC(C)(C)N1 4039870 ONWJQJGTCUOXEJ-VMPITWQZSA-N 356.413 4.973 0 40 FJAB O=C(Nc1ccc(/C=C/c2ccccc2)cc1)[C@H]1COc2ccccc2O1 4539944 VECABBLRDPSGMP-NELJVSICSA-N 357.409 4.636 0 40 FJAB O=C(CCCCC(=O)NCCC1=CCCCC1)NCCC1=CCCCC1 4598803 SVXQYEVWAUYQTJ-UHFFFAOYSA-N 360.542 4.560 0 40 FJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1ccc2c(c1)OCO2 4717895 YFFANTJXDLXGOI-AOSWFRPUSA-N 368.429 4.578 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 4854426 GPFHRIFXFOMVOA-IBGZPJMESA-N 371.362 4.543 0 40 FJAB COc1ccc([C@@]2(OC)Oc3ccccc3-c3nc4ccccc4nc32)cc1 4945950 NXNWSAWNDBCOGI-HSZRJFAPSA-N 370.408 4.545 0 40 FJAB COc1ccc(CNC(=O)[C@@H](C)Sc2c(Cl)cccc2Cl)cc1 6000308 LKVAVMQSFPHXKB-LLVKDONJSA-N 370.301 4.799 0 40 FJAB COc1ccc(CNC(=O)/C(=C\c2ccccc2OC)c2ccccc2)cc1 6181885 JHFHKZRWGQKLSG-JWGURIENSA-N 373.452 4.561 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)NCc3ccc4c(c3)OCO4)sc2c1 6279372 XOIJHQGFBAUCSR-UHFFFAOYSA-N 359.834 4.522 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2Cl)n1 6472010 UXMUJIAXANPTPT-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB CN(Cc1nc2ccccc2s1)c1ncnc2sc3c(c12)CCCC3 6550935 BIRVBKQGLQLPCP-UHFFFAOYSA-N 366.515 4.816 0 40 FJAB Clc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1Cl 6927361 FWAISRVEAIESHI-UHFFFAOYSA-N 358.292 4.938 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 8673442 BSYNSJXSNDZFTI-JXMROGBWSA-N 366.848 4.901 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 8793740 VJXXVPZOFIXSLW-UHFFFAOYSA-N 373.865 4.898 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CCC(c2c[nH]c3ccccc23)CC1 10881811 DOOGNBYACBIULV-UHFFFAOYSA-N 361.470 4.797 0 40 FJAB CC(C)c1ccccc1OCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073456 FNLBEGYUWSMMQF-UHFFFAOYSA-N 374.484 4.986 0 40 FJAB CC(C)[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1cccs1 12200532 QMQWRPPDAYMXEB-HXUWFJFHSA-N 374.525 4.613 0 40 FJAB C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1cc(F)ccc1F 12997274 QDNXSCPPJLPWLD-KBPBESRZSA-N 354.400 4.796 0 40 FJAB Fc1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 13840887 JSUJQBPXSWXUAM-UHFFFAOYSA-N 373.678 4.728 0 40 FJAB CC1=C(C)[C@@H](c2c(C)n(C)c3ccccc23)N(CCc2ccccc2)C1=O 13957625 OGLHSJVOHHGWMA-QHCPKHFHSA-N 358.485 4.949 0 40 FJAB COc1ccc(-c2nc(/C=C/C(=O)NC3CCCCCC3)cs2)cc1 16206446 ZFBKCEIQFMWALF-JLHYYAGUSA-N 356.491 4.671 0 40 FJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnc2ccccc2n1 18702341 ZJHPCQMUSLUYQV-UHFFFAOYSA-N 372.409 4.752 0 40 FJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccnc1Cl 20722459 AWZGZILWSCCOCV-UHFFFAOYSA-N 361.832 4.995 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccn1 24364608 RCEPDWUJHAZIQD-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccccc2)o1 29885021 OASDHNSRAPGSPX-KKSFZXQISA-N 373.452 4.906 0 40 FJAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccccc1F 32087811 DDLNUNWYNBRFHV-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB O=C(C1CCC1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 36691819 WJMHISDQYPBJQU-UHFFFAOYSA-N 357.866 4.678 0 40 FJAB Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccc(Br)cc12 38145195 JGATXWKFIUDAAU-UHFFFAOYSA-N 370.206 4.632 0 40 FJAB aggregator O=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 40485948 PDEWULOENHNRMY-LJQANCHMSA-N 365.816 4.986 0 40 FJAB CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@@H]2C(C)C)cs1 58218051 IYSXLGPEBSEGPZ-GOSISDBHSA-N 361.486 4.587 0 40 FJAB Cc1nc(CSc2ccccc2C(=O)Oc2cccc(Cl)c2)no1 71795957 MCSAZUCEHNTRSB-UHFFFAOYSA-N 360.822 4.543 0 40 FJAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 71814374 MASIINUFGDFXOM-UHFFFAOYSA-N 369.442 4.597 0 40 FJAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4)C3)n2)c1 72369948 NSDDVFNXBHCBQY-MRXNPFEDSA-N 373.378 4.745 0 40 FJAB C[C@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1nc(C2CCCCC2)no1 74908382 ZDISUJHABNKXGV-LSDHHAIUSA-N 356.470 4.581 0 40 FJAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccccc3)c12 85877141 SDRJSPJKBRKZCS-GOSISDBHSA-N 374.440 4.608 0 40 FJAB biogenic CC1(C)[C@@]2(C(=O)Nc3ccccc3)CC[C@@]1(C)c1nc3ccccc3nc12 100641865 DGZHWVVWNGREHA-GOTSBHOMSA-N 357.457 4.598 0 40 FJAB O=C(c1cc2ccccn2c1)N1CCS[C@@H](c2ccccc2Cl)CC1 206997707 SRKRTDRXKJMASI-LJQANCHMSA-N 370.905 4.913 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1OC 216322305 BTNQDRCHRHIEFX-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 216835944 QHJREHVBYJYSLO-UHFFFAOYSA-N 374.651 4.723 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(CO)c2ccccc21 216892330 PMGUIFAGEUWWQQ-NSHDSACASA-N 364.228 4.548 0 40 FJAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)s1 223159239 RASDJTFYGZXVNH-OAHLLOKOSA-N 373.503 4.599 0 40 FJAB CCCc1ccc(OCCNC(=O)CCc2ccc(C(C)C)cc2)cc1 224598136 HGRBGZJKMHUZSI-UHFFFAOYSA-N 353.506 4.890 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225382032 VTZFNNMREJGTGS-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB Cc1ccc(SCCCNC(=S)Nc2ccc(F)cc2F)cc1 225587655 OGDJTSNFIJWIMU-UHFFFAOYSA-N 352.475 4.742 0 40 FJAB COC(=O)c1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1C 225859067 HGPDKDDXMOFHLY-UHFFFAOYSA-N 374.531 4.599 0 40 FJAB Cc1cc(O)nc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c1 1615611186 VHZVVBQPLRWXJW-UHFFFAOYSA-N 371.396 4.688 0 40 FJAB CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CCCCC1)CCCC2 950033 SEIHYLKRJMDYJI-FQEVSTJZSA-N 369.534 4.556 0 40 FJAB CC(C)(C)c1nc(NC(=O)Nc2ccccc2)sc1Br 1402788 VCXWHNGUUKWUFA-UHFFFAOYSA-N 354.273 4.847 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)c1C 2723073 QXJDHPSQUKOIPI-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB Cc1nn(C)cc1CN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 2769875 WCPIPHGAKABKLM-UHFFFAOYSA-N 368.289 4.522 0 40 FJAB Cc1ccc(S[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3053187 OGAQXYOPIHTGAY-ZDUSSCGKSA-N 354.730 4.946 0 40 FJAB CSc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(C)cc3)cc2s1 3315945 KGCKVFJHPBWIMU-GFCCVEGCSA-N 357.504 4.766 0 40 FJAB COc1ccc2c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)coc2c1 3560922 UKZRSFKKJWPICY-UHFFFAOYSA-N 365.307 4.521 0 40 FJAB Cc1ccccc1C(=O)Nc1nnc(-c2c(C)c(C)cc(C)c2C)s1 4070350 HBXZOHTXRXTEPB-UHFFFAOYSA-N 351.475 5.000 0 40 FJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1ccc2c(c1)OCO2 4717897 YFFANTJXDLXGOI-SRVWHDFXSA-N 368.429 4.578 0 40 FJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)cn12 4930912 TXZXJIFDLZZLNQ-UHFFFAOYSA-N 369.396 4.902 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)c1cc2ccccc2oc1=N 4949750 KJMUKGCHBJKKEP-UHFFFAOYSA-N 371.234 4.544 0 40 FJAB N=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2s1 5605091 GTROFPYAZCWJBB-UHFFFAOYSA-N 357.232 4.951 0 40 FJAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@H]1Sc2ccccc2NC1=O 5722612 PPTNRAQCNBPYMS-QGZVFWFLSA-N 368.502 4.734 0 40 FJAB CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(C)cc1 6439561 FIBDVGFRRWNNGX-UHFFFAOYSA-N 355.503 4.744 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3c(F)cccc3Cl)cc2)n1 6509556 IDAJNAZKKNXOQI-UHFFFAOYSA-N 371.843 4.554 0 40 FJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1Cl 6571262 VQMSPSBUXDTPRX-UHFFFAOYSA-N 361.228 4.708 0 40 FJAB Cc1ccnc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 6940351 BBELDZMOEGPAIO-UHFFFAOYSA-N 370.408 4.520 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 6949705 VWBZYWIEEZSEMM-UHFFFAOYSA-N 362.473 4.943 0 40 FJAB COc1ccccc1-c1noc(CSC23CC4CC(CC(C4)C2)C3)n1 7418193 MNLMCSZWQMFDEG-UHFFFAOYSA-N 356.491 4.947 0 40 FJAB N#Cc1nc(Cl)c(NCCC(c2ccccc2)c2ccccc2)nc1C#N 7735021 NWJORAUDAVXVNS-UHFFFAOYSA-N 373.847 4.507 0 40 FJAB CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 8382822 VWIUFESILLRWFV-OAHLLOKOSA-N 360.885 4.901 0 40 FJAB COc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Cl)ccc4o3)c2c1 8764612 OCJQAXXUDZTRQR-UHFFFAOYSA-N 368.820 4.549 0 40 FJAB biogenic CN1C(=O)CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 9134312 FOSABGCGKZRSKV-UHFFFAOYSA-N 356.425 4.515 0 40 FJAB CC(C)C[C@@H](NC(=O)Cc1cccs1)c1nc2cccnc2n1C(C)C 12114106 HLZPGASREVOEQO-QGZVFWFLSA-N 370.522 4.520 0 40 FJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)CC2=O)cc1 12416181 GFOFBXXGISRDRK-GOSISDBHSA-N 361.445 4.689 0 40 FJAB COc1cc(CCC(=O)N[C@H](C)c2cccc3ccccc23)cc(OC)c1 12730506 WMBPGFHIHDLLQH-MRXNPFEDSA-N 363.457 4.667 0 40 FJAB Cc1ccc(-c2nn(CN3CCC[C@H]3c3ccccc3)c(=S)[nH]2)cc1 12772880 JEAHLNITZYSUSV-SFHVURJKSA-N 350.491 4.711 0 40 FJAB Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 12812960 YAHULLXPGFQUGB-UHFFFAOYSA-N 372.468 4.639 0 40 FJAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C 13644821 BFQNTXUMDXVVNZ-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB Cc1ccccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14779544 PBPZHIMDIXOELO-UHFFFAOYSA-N 354.837 4.552 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3[C@@H](C)CCC[C@H]3C)cc12 18142600 WATZDTPPZIVVRV-OKILXGFUSA-N 353.491 4.799 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 18238721 KYPISYGPIAJXSP-UHFFFAOYSA-N 351.377 4.808 0 40 FJAB CCc1cccc(NC(=O)COc2ccc(C3SCCS3)cc2)c1 19173874 CJRUUFQXXOSWHH-UHFFFAOYSA-N 359.516 4.745 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1c(Cl)cccc1Cl 20048118 NQYMXCKBSRIACT-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB c1ccc(CCNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 23909335 NIGXAINVWUMDEE-UHFFFAOYSA-N 373.525 4.992 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(Cl)cc2nc1C 24862705 RXIZQQWOSFHDJE-UHFFFAOYSA-N 366.848 4.798 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27990029 VPSHSOJJGNMKCJ-UHFFFAOYSA-N 354.381 4.622 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)oc2c1C(=O)CC(C)(C)C2 32932584 SGWUXYIUGBCSIX-SWLSCSKDSA-N 369.461 4.732 0 40 FJAB Cc1ccc(C(=O)Nc2c(Nc3ccccc3)nn3c(C)cc(C)nc23)cc1 35671225 PMGPWRSYJGAQIK-UHFFFAOYSA-N 371.444 4.650 0 40 FJAB O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(CO)c1 36396202 RCHZRRIBTUUVAF-UHFFFAOYSA-N 360.457 4.523 0 40 FJAB Cc1cc(C(=O)Oc2ccc(C3SCCS3)cc2)c2c(C)noc2n1 54886499 HGRDORMDZXQVOZ-UHFFFAOYSA-N 372.471 4.537 0 40 FJAB C/C=C/C=C/C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 59421540 WGNPVDINLJFIHW-JVOHGSMZSA-N 374.253 4.926 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1cc(Cl)ccc1Cl 72068307 MRJLIWGCKKJQCQ-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 225625744 DNJDVQBUDWXIHJ-UHFFFAOYSA-N 359.922 4.882 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1OC 225658891 LAXUPCQHAWYPCD-OAHLLOKOSA-N 372.534 4.747 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)c(Cl)c3)N21 260778136 RCOGFSMZVNJCSV-BVGQSLNGSA-N 373.909 4.723 0 40 FJAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C1CC1 409125844 KOHLDBNQRVOVFH-ZDLGFXPLSA-N 370.449 4.815 0 40 FJAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 409204949 DOPUFNXJXLERET-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccccc1 854716 GZSORCIVOKSKOP-UHFFFAOYSA-N 361.228 4.887 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 936270 OXTUIDOAESNBMA-XBXARRHUSA-N 352.217 4.663 0 40 FJAB COC(=O)[C@H]1N=C(c2ccccc2)SC12c1ccccc1-c1ccccc12 1000260 BVUZBZJQZWJWCU-HXUWFJFHSA-N 371.461 4.646 0 40 FJAB COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 1441151 ZGKFXPQXAXFXAJ-INIZCTEOSA-N 364.923 4.793 0 40 FJAB CCn1c(NC(=O)C(C)C)c(-c2ccccc2Cl)c(=O)c2ccccc21 2443001 TYYVCYWKMTZTAV-UHFFFAOYSA-N 368.864 4.936 0 40 FJAB O=C(N1CCN(c2ccc(Cl)cc2)CC1)C1(c2ccccc2)CCCC1 2512749 VGVFGTLONKDJKG-UHFFFAOYSA-N 368.908 4.501 0 40 FJAB CCOc1ccc(NC(=S)Nc2ccc(C)cc2Br)cc1 2629384 LHDWONICRZEQMH-UHFFFAOYSA-N 365.296 4.965 0 40 FJAB COc1ccccc1OCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 2632514 RDNMWMWSPARWNH-UHFFFAOYSA-N 363.413 4.813 0 40 FJAB OCCCNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc12 2886769 WXQWQMGQRVSADB-UHFFFAOYSA-N 361.470 4.820 0 40 FJAB CCOc1ccc(C(C)=O)cc1CSc1nc(C)nc2ccccc12 4240001 JFIZOTCRRGQPGH-UHFFFAOYSA-N 352.459 4.832 0 40 FJAB O=C(c1cccnc1-c1nc2ccccc2s1)N1CCc2ccccc2C1 5427353 ZQDRHXZATYMLIJ-UHFFFAOYSA-N 371.465 4.557 0 40 FJAB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 5770233 PXACNTKSCNHIKD-XFXZXTDPSA-N 361.626 4.648 0 40 FJAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3)sc2c1 6541809 KXHVUYFWFBZGPP-UHFFFAOYSA-N 369.515 4.766 0 40 FJAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C)C2)cc1Cl 6587757 VVLRHHWLHILNTA-YWZLYKJASA-N 372.896 4.760 0 40 FJAB O=C(OC/C=C/c1ccccc1)c1ccc(OCc2cscn2)cc1 6589960 VYQBFRHCNWCASQ-QPJJXVBHSA-N 351.427 4.592 0 40 FJAB CCc1ccccc1NC(=O)Cn1ccc2cc(Br)ccc21 6945449 FNSMCJHKSAOYOU-UHFFFAOYSA-N 357.251 4.605 0 40 FJAB COc1ccc(-c2nnc([C@@H](C)Sc3ncnc4sccc34)o2)cc1 7329435 ANDFOMSKAHFWCP-SNVBAGLBSA-N 370.459 4.603 0 40 FJAB O=c1c2ccsc2nc(SCc2ccc(F)cc2)n1-c1ccccc1 7784103 SBBHYWWODLVJQM-UHFFFAOYSA-N 368.458 4.879 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 7944424 NYIMHMMVYPTGJY-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB CC[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1 7977121 WLQZNKYRAPLKEJ-LJQANCHMSA-N 372.306 4.748 0 40 FJAB CCOC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 8268905 HODOFVFABRVSRJ-HNNXBMFYSA-N 366.461 4.625 0 40 FJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccccc2C)c1 8476548 XETAHIGGTUEHPN-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB CCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 9137383 NFIKZNWDDJOAFX-UHFFFAOYSA-N 374.853 4.901 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 9419897 FFPVHMKPCCQEEB-JXMROGBWSA-N 365.864 4.636 0 40 FJAB O=C(Nc1cc(F)ccc1F)c1csc2nc(-c3ccc(F)cc3)cn12 11902662 BATHDCVXTDUWAV-UHFFFAOYSA-N 373.359 4.732 0 40 FJAB CCCCSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12408651 CAVCIYWAPGUMSW-UHFFFAOYSA-N 373.913 4.512 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 12739275 FKKOUNQEQYUFHZ-HXUWFJFHSA-N 364.489 4.618 0 40 FJAB Cc1cc(NC(=O)[C@H]2CC=CCC2)c(C)cc1NC(=O)[C@H]1CC=CCC1 12788234 RVNYHHGXYLKYJB-ROUUACIJSA-N 352.478 4.893 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)cs1 14321786 KSIISIJJEBTVKV-UHFFFAOYSA-N 360.841 4.841 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)cc1 14609533 COUVFMSDDMYALU-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CSc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 16386468 NZQAEWYDXPWNGQ-JLHYYAGUSA-N 354.862 4.716 0 40 FJAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cccc(Cl)c2)s1 17208969 YTNDVFQTGIIKPY-HNNXBMFYSA-N 357.866 4.986 0 40 FJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2scnc2C)n1 19690585 NNWOWARGFDXFEE-IBGZPJMESA-N 363.486 4.799 0 40 FJAB COc1ccc2[nH]c(C)c(CCNCc3ccc(C(F)(F)F)cc3)c2c1 19798227 NWBFIOGWULTPOD-UHFFFAOYSA-N 362.395 4.836 0 40 FJAB O=C(Cc1cccc(F)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 19934960 FCDCJYRYDJHQNM-UHFFFAOYSA-N 367.807 4.891 0 40 FJAB O=c1oc2c3c(ccc2c2c1CCC2)OCN([C@@H]1CCCc2ccccc21)C3 20478175 OMCTXFQHKRZPKD-OAQYLSRUSA-N 373.452 4.511 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 22122771 ODHRSWHKVRXBBC-GFCCVEGCSA-N 367.430 4.791 0 40 FJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1c1ccccc1 22877716 WNATTXRLVDEGEA-RDTXWAMCSA-N 374.278 4.580 0 40 FJAB Cc1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)o1 23307124 GYGHPCUOJRXBDL-ZDUSSCGKSA-N 358.825 4.706 0 40 FJAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CN2CCCCC2)cc1 25144554 KHOXIGNXJFLODI-ROUUACIJSA-N 368.443 4.523 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccc3c(c2)CCC3)o1 28230090 MJLIOMRFOJFBNC-UHFFFAOYSA-N 368.820 4.648 0 40 FJAB C[C@@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccc(F)cc1F 32869159 OBLUFIUXVCHMSV-LLVKDONJSA-N 373.321 4.535 0 40 FJAB Cc1nc(NCc2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1 33312271 OBLNCXIFFVEMHH-UHFFFAOYSA-N 357.866 4.969 0 40 FJAB CC(C)n1cnc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc21 36354597 CENJSCPNUCDYGC-UHFFFAOYSA-N 359.433 4.730 0 40 FJAB C[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2c(=O)[nH]1 39583735 GUZHEFYIJCCKTH-HNNXBMFYSA-N 370.408 4.508 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(OC)cc1 44904430 ZGZAGMDJJLNAPF-IERDGZPVSA-N 363.457 4.883 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2OC)c1 52410785 HANGLJZWRBNFTO-UHFFFAOYSA-N 367.232 4.603 0 40 FJAB Cc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1ccccc12 67341288 JLUQVYFLRXUCQI-UHFFFAOYSA-N 367.455 4.545 0 40 FJAB Cc1c(-c2nc(-c3ccccc3F)cs2)nnn1-c1ccc(F)cc1 67341599 PYKQQLHAQJNRIJ-UHFFFAOYSA-N 354.385 4.644 0 40 FJAB C[C@@H](C(=O)Nc1cc(-c2ccc(Br)o2)no1)c1cccs1 95971388 RSQIOKVBLRYVRL-MRVPVSSYSA-N 367.224 4.501 0 40 FJAB CSc1cnn(-c2ccccc2)c1NC(=O)c1cccc(C)c1Cl 95974534 SNIDIOWIQPJXJZ-UHFFFAOYSA-N 357.866 4.808 0 40 FJAB COc1cccc2[nH]c3c(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c12 101135023 QIEYHUJTNVMLIU-YEJXKQKISA-N 350.466 4.525 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 109477500 YWCPGUHUEODTTC-UHFFFAOYSA-N 357.816 4.593 0 40 FJAB Cc1ccc(C)c(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218832023 CTVJPRVSDYJALR-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB COc1cc2ccccc2cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219392403 OLFGOAHQCFVFGA-LJQANCHMSA-N 361.441 4.881 0 40 FJAB COc1ccc(Cl)cc1C(=O)N1CCS[C@H](c2cccs2)CC1 219480934 CVWBPVMOHYKBOK-INIZCTEOSA-N 367.923 4.731 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC 223395281 ITSHQWLQGFSVFM-VMSUTVGLSA-N 353.462 4.520 0 40 FJAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COCC(C)C 224449741 KZUDRWWICNZYDK-UHFFFAOYSA-N 365.832 4.913 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881497 IDXGJNVZQBAPAH-JTQLQIEISA-N 359.731 4.645 0 40 FJAB CCCCOc1ccc(C(=O)NC[C@@H](O)c2csc3ccccc23)cc1 225693498 KEUDDOSETORREP-LJQANCHMSA-N 369.486 4.544 0 40 FJAB CCc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225813461 OIOSEKOGYKBMDC-UHFFFAOYSA-N 357.866 4.602 0 40 FJAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@H](C)C1 225901285 VTFCSEPYVVXFIQ-AOMKIAJQSA-N 370.493 4.946 0 40 FJAB CCOC(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 226365566 CKKZJPFPJMAUMT-CMDGGOBGSA-N 365.212 4.789 0 40 FJAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3ccn(-c4ccccc4)n3)cc2c1 1542503509 XTFDKCNRYLQOJL-UHFFFAOYSA-N 372.472 4.581 0 40 FJAB CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1175408 BNLXHHVTWQNFHO-JLHYYAGUSA-N 352.821 4.769 0 40 FJAB O=c1ccn(Cc2ccc(Cl)c(Cl)c2)c2ccnc(C(F)(F)F)c12 1408437 AGGUWKNIAQHWCN-UHFFFAOYSA-N 373.161 4.770 0 40 FJAB Cc1coc2cc3oc(=O)c(CCC(=O)NC4CCCCC4)c(C)c3cc12 2094080 VRCPTQINQLRHPD-UHFFFAOYSA-N 367.445 4.538 0 40 FJAB biogenic Cc1ccc2c(COC(=O)/C=C/c3ccc(Cl)cc3)cc(=O)oc2c1 2657813 LZFLGVTYZOWTOW-WEVVVXLNSA-N 354.789 4.511 0 40 FJAB O=C(OCc1c(F)cccc1Cl)c1c2c(nc3ccccc13)CCC2 3319009 NWXRHYSMRNDRKC-UHFFFAOYSA-N 355.796 4.873 0 40 FJAB COc1cccc(NC(=O)[C@@H](Sc2nc(C)cs2)c2ccccc2)c1 3413571 YZYZCXTUFASOAT-KRWDZBQOSA-N 370.499 4.932 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)c(C)c1 3893241 KZTOSVSCNJGILB-UHFFFAOYSA-N 355.488 4.550 0 40 FJAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 4033529 YBLDKEZYHLVBII-GOSISDBHSA-N 361.489 4.830 0 40 FJAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Cl)ccc1Cl 4072305 JDNDZIFIXPOGRD-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CCn1c(SCc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 4138592 NYBBAEKQWMDUCQ-UHFFFAOYSA-N 352.438 4.878 0 40 FJAB CCCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4342018 MCRMQYDCJJJMSP-UHFFFAOYSA-N 358.344 4.702 0 40 FJAB C[C@@H]1CN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 4411230 URSAPVYAZIFTPK-JBACZVJFSA-N 355.522 4.790 0 40 FJAB C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)C1 4777137 ZVCDZKFBGOPISW-DZKIICNBSA-N 369.896 4.525 0 40 FJAB CCOc1ccc(NC(=O)c2sc3cccc(F)c3c2COC)cc1 5403607 UVDRDRSDGFGTRT-UHFFFAOYSA-N 359.422 4.838 0 40 FJAB O=C(COc1ccccc1Cl)Nc1nc2ccc(Cl)cc2s1 6331852 TUCKHLFTFXOWIA-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB Cc1ccc2c(COC(=O)/C=C/c3cccc(Cl)c3)cc(=O)oc2c1 6790621 FEHMYOVDJVOJDL-SOFGYWHQSA-N 354.789 4.511 0 40 FJAB CCc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 6886564 PSZFCLTVGYHTDB-UHFFFAOYSA-N 361.441 4.846 0 40 FJAB COc1ccc(C2=Nc3ccccc3C(c3ccc(Cl)cc3)=NN2)cc1 6973419 LXUUESFAZKZXKB-UHFFFAOYSA-N 361.832 4.783 0 40 FJAB CN(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 7817863 IZMWWLADILKEFV-GOSISDBHSA-N 368.864 4.633 0 40 FJAB CCCOc1ccc2nc(C)c(CN3CCc4ccccc4C3)c(O)c2c1 8572522 QULIAZYJRWAHRE-UHFFFAOYSA-N 362.473 4.596 0 40 FJAB COc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1OCc1ccccc1 8726506 UEYWGWXSLKPMML-HNNXBMFYSA-N 367.470 4.827 0 40 FJAB CC(C)Cn1c(SCc2nnc(-c3ccco3)o2)nc2ccccc21 9338266 JRZHFCDXTPHTDZ-UHFFFAOYSA-N 354.435 4.628 0 40 FJAB C[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccnc1 9470997 WSVQQCCKWVTWBO-INIZCTEOSA-N 372.424 4.898 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccc2ncccc12 9479423 HLIXMBAWGVEQFX-UHFFFAOYSA-N 351.456 4.601 0 40 FJAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1cc(F)cc(F)c1 10905725 QLBPINMOEGQPMJ-UHFFFAOYSA-N 352.340 4.617 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1 11915143 QMCFVQBRFGICNR-UHFFFAOYSA-N 356.809 4.954 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180983 USRTXVAINZBSEO-XGSMCBPESA-N 362.448 4.787 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12574358 GZYSYTQNQSMOMS-INIZCTEOSA-N 360.244 4.847 0 40 FJAB CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(F)c2)cs1 12620033 GNJZOFXOMFFODF-UHFFFAOYSA-N 356.422 4.529 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)Cc3ccc(Cl)cc3)cc2)cs1 12621002 JYDOALBOGZFZFX-UHFFFAOYSA-N 370.905 4.673 0 40 FJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1cccc(F)c1 12816156 XJNVPIUOQKACDR-ZDUSSCGKSA-N 368.433 4.631 0 40 FJAB O=C(NCc1ccco1)c1sc(-c2ccco2)nc1-c1ccccc1 12824579 DXEZQKSMPNBFND-UHFFFAOYSA-N 350.399 4.593 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1)c1ccccc1 13999484 JRZSBKPPXSTUNF-IECKCJDVSA-N 370.452 4.830 0 40 FJAB COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n23)c1 15414460 VVKJPZHWJMRXKS-UHFFFAOYSA-N 373.412 4.546 0 40 FJAB CCc1cccc(CC)c1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 15583853 SPMLAKWLIWWABO-NRFANRHFSA-N 362.473 4.714 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1ccccc1C(F)(F)F)O[C@@H](C)C2 18238098 DHVPFQUMDJVMTP-NSHDSACASA-N 365.351 4.680 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 20047658 UTPIOHDOZVJPBS-KRWDZBQOSA-N 369.530 4.657 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 20049225 SNGZMXSMZIDRRS-MSOLQXFVSA-N 355.478 4.655 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 20050731 XQVHQMBYHBGVFG-GHTZIAJQSA-N 369.505 4.983 0 40 FJAB CC(C)c1ccc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)cc1 31976141 IOKFVQCTXMIYAE-UHFFFAOYSA-N 360.479 4.545 0 40 FJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2ccccc2s1 32739366 ALECFJALEBTWHQ-UHFFFAOYSA-N 355.459 4.581 0 40 FJAB CCC(C)(C)c1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42770981 KRUSLDAKGZSTGY-AWEZNQCLSA-N 354.332 4.905 0 40 FJAB Cc1nc2ccccc2nc1CSc1ncc(-c2ccc(F)cc2)[nH]1 48265043 UPRZIKFQQZIHBX-UHFFFAOYSA-N 350.422 4.760 0 40 FJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(C(C)C)C3 57165795 MSBLCHSNGTVOMX-UHFFFAOYSA-N 369.848 4.982 0 40 FJAB O=C(NCc1ccoc1)c1sc(-c2ccco2)nc1-c1ccccc1 58378174 RAWVOIZAXYGCNX-UHFFFAOYSA-N 350.399 4.593 0 40 FJAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(O)CCCC1=N2 102730385 XAMGXKWZATVINM-HXUWFJFHSA-N 356.429 4.790 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113970639 KFZMSYUCNDXCLS-RTWAWAEBSA-N 355.478 4.737 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219316728 HNPTYNGLGTVRHB-RTBURBONSA-N 353.462 4.571 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1 222930828 CLEIBUSVOAOTSL-NRFANRHFSA-N 353.506 4.891 0 40 FJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224152534 AYOAOHJITIIFLC-IRXDYDNUSA-N 351.500 4.629 0 40 FJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1Cl 224474703 IUMUYOXAAHWWIN-UHFFFAOYSA-N 361.869 4.846 0 40 FJAB CCOc1ccccc1N(CC)S(=O)(=O)c1cc(Cl)ccc1Cl 224930151 HLBHUEDPPPMBTJ-UHFFFAOYSA-N 374.289 4.607 0 40 FJAB CC(C)c1ccc(CCCNC(=O)COc2cccc3c2CCCC3)cc1 225720665 WAGINFZNJNOLQQ-UHFFFAOYSA-N 365.517 4.817 0 40 FJAB CCC1(CC)C[C@H](NC(=O)Nc2ccccc2OC)c2ccccc2O1 225765335 MACBGPOEAZBJLE-KRWDZBQOSA-N 354.450 4.899 0 40 FJAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1 225901236 VTFCSEPYVVXFIQ-ZHRRBRCNSA-N 370.493 4.946 0 40 FJAB CCCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408708879 MRFMCQLWWAPIKV-UHFFFAOYSA-N 374.525 4.525 0 40 FJAB Cc1cccc(-c2cncc(C(=O)Nc3ccc(-c4cnc[nH]4)cc3)c2)c1 533182898 VUFPQBGBZGTFAY-UHFFFAOYSA-N 354.413 4.699 0 40 FJAB O=C(CSCc1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 675007644 CPXCKXDLVYEQCS-KRWDZBQOSA-N 357.500 4.523 0 40 FJAB CC(=O)c1cnn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c1C 632677 QCVPISNCDIUBKZ-UHFFFAOYSA-N 370.412 4.633 0 40 FJAB CCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3)n2)cc1 948255 PCKHVGVTJDIRKL-UHFFFAOYSA-N 368.458 4.535 0 40 FJAB CC(C)c1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 2198542 CMNGXJZKHHFRQS-BOPFTXTBSA-N 370.246 4.917 0 40 FJAB CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 3060345 YRNHVNCDNRGQJE-UHFFFAOYSA-N 352.434 4.660 0 40 FJAB O=C(CSc1ncnc2sccc12)Nc1cc(Cl)cc(Cl)c1 3433638 DABVKMVQXLGWLJ-UHFFFAOYSA-N 370.286 4.729 0 40 FJAB Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc12 3558485 KFYMGRJFWVEAAU-UHFFFAOYSA-N 362.212 4.589 0 40 FJAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccccc1 4267138 AKPLADNCTDNJIR-UHFFFAOYSA-N 356.381 4.937 0 40 FJAB CCCN(CCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 4664717 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4.908 0 40 FJAB Cc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 408628289 WATLOKKNYDABQC-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB CN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 408818745 ORUJVAKYAOYPRC-YBEGLDIGSA-N 359.834 4.585 0 40 FJAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 409022660 OBZYEBFJUZXAGN-WOJGMQOQSA-N 371.433 4.849 0 40 FJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1cc(-c2ccccc2)on1 585146745 KJWGVTNQLXTEQY-OAHLLOKOSA-N 364.426 4.558 0 40 FJAB CC1(C)CCC(CC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1 622312891 ZCPPEMAYXCKYPU-UHFFFAOYSA-N 365.464 4.941 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)C1(C)C 653828184 RLBSXCNVWJANRB-WOSRLPQWSA-N 361.436 4.847 0 40 FJAB Cc1ccc(-c2cccnc2)cc1NC(=O)NC[C@H]1CCC2(CCCC2)O1 654058992 UTNZWWTWNAHMAO-LJQANCHMSA-N 365.477 4.670 0 40 FJAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 949887 SDXPWHYUYMIYTK-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc[nH]2)C(C#N)=C(S)S1 1073897 LLVYDKNHEDPRRK-KRWDZBQOSA-N 368.483 4.527 0 40 FJAB CCn1nc(NC(=O)c2ccccc2Cl)c2cc3cc(C)ccc3nc21 2423535 JZPZSGARQBBEDR-UHFFFAOYSA-N 364.836 4.819 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)C2CCCCC2)CSC3)c1C 3008299 DRSHVGCQVWDDSV-UHFFFAOYSA-N 355.507 4.755 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 3300050 NWACRLZVYBUFEY-UHFFFAOYSA-N 350.462 4.587 0 40 FJAB Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccc(Cl)cc3)cnn12 4364310 LHPULVRIDFVEQO-UHFFFAOYSA-N 355.228 4.952 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 5198572 JAFJJJMWIZTFGT-UHFFFAOYSA-N 373.408 4.740 0 40 FJAB Cc1ccc(N2[C@H]3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 5444423 QKBJYJLZSLIWFC-SFTDATJTSA-N 356.897 4.516 0 40 FJAB CCOc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 5598717 BKWRLJCZOPYCLE-UHFFFAOYSA-N 369.442 4.678 0 40 FJAB Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc2n1 5931876 OCBUKHUDTDZWBT-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB CCc1ccc(-c2nc(S)c3c(n2)Oc2c(cccc2OC)C3)cc1 6006971 VTEIYCYPFJKGIF-UHFFFAOYSA-N 350.443 4.700 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)O)cc1 6883071 KGMYFQFTYXEYDD-UHFFFAOYSA-N 370.257 4.564 0 40 FJAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)c1 7615826 BXBQQJAXJXJHMX-OAHLLOKOSA-N 367.836 4.527 0 40 FJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c(C)c1 7929251 YDXODMZTLIVRQS-QGZVFWFLSA-N 365.473 4.559 0 40 FJAB c1cncc(-c2nc(Oc3ccc(-c4nnco4)cc3)c3ccccc3n2)c1 7984094 POQQAKJEENLPPF-UHFFFAOYSA-N 367.368 4.534 0 40 FJAB COc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 9578024 RNOVPVUQLHLHKR-UHFFFAOYSA-N 350.443 4.613 0 40 FJAB O=C(COc1ccccc1)N(Cc1ccccc1)c1nc2ccccc2s1 10187485 XKISROVILKSGDI-UHFFFAOYSA-N 374.465 4.909 0 40 FJAB CCc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1 10817000 HTCHIOYZBWQPNK-UHFFFAOYSA-N 364.470 4.839 0 40 FJAB O=C(/C=C/c1cccc2ccccc12)NCc1coc(-c2cccs2)n1 11282621 LGAOAJYSVXSBBQ-ZHACJKMWSA-N 360.438 4.886 0 40 FJAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 13564232 LEANRCCSPXJZNO-KNQAVFIVSA-N 366.436 4.655 0 40 FJAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 15611656 UADFHEPSPULZQR-UHFFFAOYSA-N 367.430 4.631 0 40 FJAB Cc1nc2ccccc2nc1CN(C(=O)c1ccccc1)c1ccccc1 16265190 SXDDAZYUZMZMSI-UHFFFAOYSA-N 353.425 4.785 0 40 FJAB Clc1ccc(-c2csc(SCc3cn4cccnc4n3)n2)cc1 16546097 CDWYOVHXFRVFBM-UHFFFAOYSA-N 358.879 4.799 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 17719832 XGDNTMJVAPZAEY-SILNSSARSA-N 371.417 4.896 0 40 FJAB CCc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 19173313 VXSCAXLJJGVGDQ-UHFFFAOYSA-N 359.516 4.745 0 40 FJAB COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1-c1ccc(CO)o1 20139144 HJASWEIHLDYIRG-UHFFFAOYSA-N 373.408 4.853 0 40 FJAB CCCCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCC1 20868992 DKPKFGPHXCEIGR-HXUWFJFHSA-N 372.553 4.736 0 40 FJAB CCCc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)sc1C 23383617 PJSKKUZUMFSAGS-FQEVSTJZSA-N 357.519 4.595 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)CCOc2cc(C)ccc2C)c1 24041328 GKCDHNIUJCKZNV-UHFFFAOYSA-N 357.450 4.508 0 40 FJAB CCN(CC)C(=O)[C@H](Sc1nc(-c2ccccc2)c[nH]1)c1ccccc1 27660332 BTDFSHVTDAHGIB-LJQANCHMSA-N 365.502 4.779 0 40 FJAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(Cl)ccc1Cl 28303690 XUTMWWBTMNUWFK-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccncc1)CC(O)=N2 31817657 XJQCXKGVYBFAGJ-HNNXBMFYSA-N 363.442 4.827 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32091606 YDTRMNSOEBXEDA-UHFFFAOYSA-N 354.837 4.635 0 40 FJAB COC(=O)c1ccccc1Nc1c(-c2cccs2)nc2ccc(C)cn12 35616038 MSPVRHOEUVBIJD-UHFFFAOYSA-N 363.442 4.901 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 36620600 DZFMAGZMUUJDRV-IBGZPJMESA-N 361.482 4.649 0 40 FJAB CCN(Cc1cccc(F)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 40103656 YUAZMLBDBYFLSF-UHFFFAOYSA-N 366.820 4.550 0 40 FJAB CCCC[C@H](CC)CNC(=O)COc1ccc(CC)cc1Br 40942321 OYIKYUWGBZHJRI-HNNXBMFYSA-N 370.331 4.723 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2cnc(-c3ccccc3)s2)cc1 47073633 NHRADTRLAVLJLU-GOSISDBHSA-N 364.470 4.796 0 40 FJAB CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 49929307 BTPVBAKJARNTRJ-MRXNPFEDSA-N 352.459 4.672 0 40 FJAB O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(Cl)c2)[nH]n1 57412736 YTNQAWPXIHMGFN-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB O=C(Nc1cc(NC(=O)N2CCCCCC2)ccc1F)C1CCCCC1 57986983 IHGLQTHVKQJFDP-UHFFFAOYSA-N 361.461 4.752 0 40 FJAB Cc1nc(Cc2nnc(S[C@@H](C)c3ccc(F)cc3F)o2)cs1 58170978 ROKILVIFLKTIDI-QMMMGPOBSA-N 353.419 4.557 0 40 FJAB COC(=O)c1sc(NC(c2ccccc2)c2ccccc2)nc1Cl 58356847 CTDDGUYNCVLHGW-UHFFFAOYSA-N 358.850 4.785 0 40 FJAB Cc1noc(Cl)c1CCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58429889 LOURWCYXPUWQFA-UHFFFAOYSA-N 361.829 4.646 0 40 FJAB COc1ccc(NC2=NC(=O)S/C2=C\c2cccc3cccnc23)cc1 72400918 UGDKWJBYYDYPJK-ATVHPVEESA-N 361.426 4.962 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC 102432424 ISIHBRKYZWNOQJ-GVDBMIGSSA-N 354.494 4.887 0 40 FJAB CN(c1nc(Cl)nc(Nc2cccc(Cl)c2)n1)C1CCCCC1 199800198 CHTGGHVMDRCYDT-UHFFFAOYSA-N 352.269 4.691 0 40 FJAB O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccs1)C1CCOCC1 206673395 LRKPJCFGEPZDLJ-UHFFFAOYSA-N 369.408 4.588 0 40 FJAB Cc1cc(C)c(OCC(=O)n2c(C)c(C=O)c3ccccc32)c(Cl)c1 216788563 BODBKGLABGVBMU-UHFFFAOYSA-N 355.821 4.752 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 218969329 LSCFGOCHDKCKNF-LJQANCHMSA-N 367.489 4.718 0 40 FJAB COc1cccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 219127126 OZFSOUVEJXCIDU-UHFFFAOYSA-N 373.496 4.966 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219578158 LLMIMLPGTIHBMO-VQTJNVASSA-N 373.468 4.895 0 40 FJAB CC(C)c1ccc(OCC(=O)NCCOc2ccccc2C(C)C)cc1 223781900 MMLDGOWYIMJCDA-UHFFFAOYSA-N 355.478 4.507 0 40 FJAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1C(C)C 224225986 PWJPIHMFDAAUCQ-UHFFFAOYSA-N 355.478 4.926 0 40 FJAB CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939189 BDJHCGRRUYPAAD-UHFFFAOYSA-N 371.234 4.521 0 40 FJAB COc1ccc(N2NC3(CCCCCCCCCCC3)NC2=S)cc1 225351742 TWYVLQPEAXYLAN-UHFFFAOYSA-N 361.555 4.895 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225849504 MPCVHGYRWDLVEZ-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB CSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408574853 LXWLEDUIMYWRIL-UHFFFAOYSA-N 368.502 4.677 0 40 FJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2c3ccccc3C[C@H]21 408992518 AGVGHIKTGCLZHU-HJNYFJLDSA-N 371.436 4.864 0 40 FJAB COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl 409004880 BYUVSIVWPYNXGT-ATVHPVEESA-N 373.861 4.628 0 40 FJAB O=C(NCc1cccc2ccccc12)N1CCc2sc(Cl)cc2C1 575617081 XREODYSPMXXCQI-UHFFFAOYSA-N 356.878 4.823 0 40 FJAB O=C(CSc1ccc(F)cc1)N[C@H](c1ccsc1)c1cccs1 828001069 UATRJKYEJBZTKG-QGZVFWFLSA-N 363.504 4.947 0 40 FJAB Cc1sc2nc(C(F)(F)F)nc(NCC3(N(C)C)CCCC3)c2c1C 1615566508 RMOFPGCIXUWCIS-UHFFFAOYSA-N 372.460 4.613 0 40 FJAB COc1ccc(C(=O)CSc2nc3ccc(OC)cc3cc2C)cc1 881244 DMTQIQSDOVXVJT-UHFFFAOYSA-N 353.443 4.535 0 40 FJAB Cc1ccccc1N[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 1452645 HWKIRBDNYOVSEH-INIZCTEOSA-N 371.695 4.842 0 40 FJAB O=C1c2ccccc2C(=O)N1[C@H]1C[C@H](c2ccccc2)Oc2ccccc21 1699257 INGKDDWHNWSVEQ-PZJWPPBQSA-N 355.393 4.548 0 40 FJAB Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)C(=O)c2ccc(C)cc2)cc1 1723188 IQGDNAGWWWCENP-UHFFFAOYSA-N 371.436 4.735 0 40 FJAB CCN(CC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2225587 SSXJYHUBUSUZMG-UHFFFAOYSA-N 354.523 4.773 0 40 FJAB Cc1ccc(N2C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C)cc1 3448576 YNCBEIAAVYRCGU-LBPRGKRZSA-N 363.244 4.659 0 40 FJAB CC1CCN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)CC1 3538730 VNHZWAKGRDGKRJ-UHFFFAOYSA-N 373.909 4.537 0 40 FJAB CCCCN(CCCC)c1ncnc2c1cnn2-c1ccc(Cl)cc1 3912272 BENYQAUXDRLPCY-UHFFFAOYSA-N 357.889 4.876 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)cc1Cl 4272723 NJQVLGXWHJPTDV-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCC2)c1 5235432 WEHDEPAZVCRDBC-LJQANCHMSA-N 364.445 4.518 0 40 FJAB CCc1ccc([C@H](NC(=O)COc2ccccc2F)c2cccs2)cc1 5406134 VFHOYRCCBFRIDX-NRFANRHFSA-N 369.461 4.734 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc2ccccn12 6114879 YAXYKLDALXGIEH-UHFFFAOYSA-N 368.506 4.707 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 6495783 QJWQCMWCVHISCJ-ZHACJKMWSA-N 374.421 4.568 0 40 FJAB CC(C)CNC(=O)[C@@H](C)Sc1nc(-c2cccs2)nc2ccccc12 7298642 ITYMCURUIPUWTE-CYBMUJFWSA-N 371.531 4.611 0 40 FJAB Cc1cc(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)no1 7822305 TZXSNLCTPUAPQF-UHFFFAOYSA-N 356.428 4.678 0 40 FJAB CCCCCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071562 YIOYTCGBNGTFKX-UHFFFAOYSA-N 350.256 4.906 0 40 FJAB Cc1cccc(-c2nnc(-c3ccc(NC(=O)Cc4ccccc4)cc3)o2)c1 8188327 XWEXCABEHUOIOD-UHFFFAOYSA-N 369.424 4.893 0 40 FJAB Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccncc1 8435793 UDCCKUAIHSJVQK-UHFFFAOYSA-N 356.828 4.743 0 40 FJAB CCCCCSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 8625456 UFRCNEUWFIMYHS-UHFFFAOYSA-N 368.458 4.705 0 40 FJAB C[C@H](Nc1ccc(N2CCCCC2)cc1)c1nnc(-c2cccs2)o1 8718514 ONCHLFMMHQLALR-AWEZNQCLSA-N 354.479 4.962 0 40 FJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2cccs2)c1 9204437 OFLNEIVQAXIVDY-UHFFFAOYSA-N 355.459 4.566 0 40 FJAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 9462878 AQUVMASGFAMCBH-UHFFFAOYSA-N 368.864 4.624 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Cl)cc1 10030009 JWWDFMUAEMSUIF-UHFFFAOYSA-N 360.822 4.808 0 40 FJAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1Cl 10213466 PCEKAFQAZNBNAK-HXPMCKFVSA-N 373.861 4.573 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 10338087 BYCHECVFPYRQCH-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 10357814 CGNKDFZNTVBVIS-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB C[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 10530079 SZZVAQOTBTXJHN-SECBINFHSA-N 372.635 4.831 0 40 FJAB O=C(NCCCCOc1ccc(Cl)cc1)c1cc(Cl)ccc1F 11085200 SNOJNHXCDOJCLK-UHFFFAOYSA-N 356.224 4.722 0 40 FJAB C[C@H](NCc1c[nH]nc1-c1cccs1)c1ccccc1Br 12531658 LDYUMPFAAROPIT-NSHDSACASA-N 362.296 4.752 0 40 FJAB COc1cc(CN[C@H](C)c2cccnc2)ccc1OCc1ccc(F)cc1 12543700 MLNUKKUIIRLGGH-MRXNPFEDSA-N 366.436 4.659 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1ccc(COc2ccc(F)cc2)o1 14826063 NWGIITBZICBTEE-UHFFFAOYSA-N 368.389 4.860 0 40 FJAB CC[C@@H](C)NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 14857262 WXNGACUUPOEMEF-GFCCVEGCSA-N 370.522 4.886 0 40 FJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 15305763 LQSQWWZMOYFUQI-LLVKDONJSA-N 366.280 4.577 0 40 FJAB COc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19365577 XFGDBEADHRFUHJ-UHFFFAOYSA-N 372.512 4.602 0 40 FJAB CCOc1cc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)ccc1OC 19532165 FICGQOVOMCCPQU-YOEHRIQHSA-N 372.515 4.588 0 40 FJAB CCN(CCCNc1nc(=S)[nH]c2ccccc12)c1cccc(C)c1 20646003 FYIFSJDLWGSCSF-UHFFFAOYSA-N 352.507 4.929 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1 28290810 GFKSMJLTLIJMMY-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2cccnc12 28293577 WTYXFCIJWMKBFC-CQSZACIVSA-N 368.408 4.569 0 40 FJAB O=C(Nc1ccc2c(c1)CCO2)c1csc(-c2ccc(Cl)cc2)n1 32787492 NZBIOJHBIPEDPC-UHFFFAOYSA-N 356.834 4.651 0 40 FJAB CSc1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39752533 CKOKWHDARFPFPL-UHFFFAOYSA-N 374.937 4.913 0 40 FJAB CSc1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39755093 XNKSOIWQSQCPIP-UHFFFAOYSA-N 354.519 4.568 0 40 FJAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 44938643 FCHHDGPKZHMMSA-UHFFFAOYSA-N 372.509 4.788 0 40 FJAB O=C(/C=C/c1cscn1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 50332249 GFKHSRLMVJJFGM-YXBWYFRISA-N 354.862 4.716 0 40 FJAB O=C(c1ccc2ccccc2n1)N(Cc1ccccn1)c1ccc(F)cc1 58365890 UXOXSAYEODHHTF-UHFFFAOYSA-N 357.388 4.616 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3SC)o2)cc1 69148843 OAORMFNKLFMGKA-UHFFFAOYSA-N 368.458 4.643 0 40 FJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2Cl)cc1F 72329834 JWFCPROVHNDJML-UHFFFAOYSA-N 370.232 4.822 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N)[C@@]4(C)CC[C@@H]32)C1 82041028 SYGYUPQRRFLXHY-NYRZBBFOSA-N 359.554 4.844 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CSCc1c(F)cccc1Cl 115589095 LZJPBASOUFYNBO-GFCCVEGCSA-N 367.873 4.598 0 40 FJAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 216889942 QHEYXHGPMWTJCA-XVNBXDOJSA-N 355.192 4.898 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)OC)cc1 222909438 WNWGXAAKPIQLDJ-IBGZPJMESA-N 369.461 4.567 0 40 FJAB Cc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)nc1 223986313 LKTGCXDIVCPCAY-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB CCC1(CC)C[C@H](NC(=O)c2ccc(OC)c(F)c2)c2ccccc2O1 225387625 YHQRRLHMFXHGQQ-KRWDZBQOSA-N 357.425 4.647 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCC[C@H](C)C1 226330136 VXASWLLESODAMG-ZDUSSCGKSA-N 357.885 4.719 0 40 FJAB COC(=O)c1ccc([C@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 226762022 OIBPSIGZYRLEEW-NRFANRHFSA-N 359.425 4.899 0 40 FJAB CCn1c(C)nnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 522477834 YUVKDEYDOQTCRV-CQSZACIVSA-N 366.490 4.712 0 40 FJAB CSC[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 610876415 YSUFPKUDDIRYQH-GFCCVEGCSA-N 368.371 4.700 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)ccc1C(C)C 946921 GAJLWCDSNYMEMK-UHFFFAOYSA-N 369.461 4.701 0 40 FJAB Cc1cccc(-n2c(C)nnc2SCCOc2ccccc2Cl)c1 2128722 DEIUSEUYRXMGDY-UHFFFAOYSA-N 359.882 4.709 0 40 FJAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H](CCC(=O)O)[C@@](C)(CCC(=O)O)[C@@H]1CC2 3843608 UJKJBNDDMOKPEE-KQYRDANPSA-N 350.499 4.965 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1C 4071127 AKZFCAVZCOEHKX-UHFFFAOYSA-N 368.454 4.650 0 40 FJAB COc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(C)cc3)=NN2)cc1 4129967 LFQIKITVRFDGSR-UHFFFAOYSA-N 355.441 4.746 0 40 FJAB CCN(CC)c1nc(-c2ccccc2)c2cc(Br)ccc2n1 4174059 BIWZWKBHSQRKRK-UHFFFAOYSA-N 356.267 4.906 0 40 FJAB C[C@H](CC(=O)Nc1cccnc1)CC(=O)N(c1ccccc1)c1ccccc1 4677030 NZHZAFOLQZPCKL-GOSISDBHSA-N 373.456 4.801 0 40 FJAB c1ccc(-c2ccc(-c3nn4c(-c5cccnc5)nnc4s3)cc2)cc1 5347032 AMHJQRLHBMRBNT-UHFFFAOYSA-N 355.426 4.582 0 40 FJAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccnc1Cl 6615045 QPTOVONWOLDLQO-UHFFFAOYSA-N 350.249 4.631 0 40 FJAB O=C(COc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl 6810615 YGZYSXKUGUOQPB-UHFFFAOYSA-N 355.821 4.541 0 40 FJAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Cl)cc1)CO3 6900576 SINVBBSRPYSGDB-UHFFFAOYSA-N 355.821 4.674 0 40 FJAB COc1cccc(CN(C)C(=O)CSc2c(C)c(C)cc(C)c2C)c1 7004575 WEYSVSKHWKQZKU-UHFFFAOYSA-N 357.519 4.680 0 40 FJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@@H]1c1cccs1 7736960 OZXIAZGDFYSWBH-GOSISDBHSA-N 363.486 4.789 0 40 FJAB Cc1ccc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c(C)c1 8007293 AYCIKCHNOHRECK-UHFFFAOYSA-N 365.449 4.596 0 40 FJAB C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1cc2ccccc2o1 8557371 NAUSUCSMXZRAQC-LLVKDONJSA-N 364.228 4.996 0 40 FJAB Cc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1C 8603543 KKANHAZMJVEPEC-UHFFFAOYSA-N 362.454 4.619 0 40 FJAB COc1ccc2cc(CNCc3c(C)nn(-c4ccccc4)c3C)ccc2c1 8775661 LBBYVDMKLXGUFU-UHFFFAOYSA-N 371.484 4.941 0 40 FJAB Cc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1 9651789 YPYWKUKJSKXMAI-UHFFFAOYSA-N 374.872 4.823 0 40 FJAB Cc1cccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1 9914599 SZDWWMMIQROROG-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)c(Cl)c1 10165968 FPOPALSAGGNWCF-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB Cc1ccc(-c2nn(CN3CCC[C@@H]3c3ccccc3)c(=S)n2C)cc1 12924606 VWSBXWMQXRGPOL-LJQANCHMSA-N 364.518 4.721 0 40 FJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1C(C)C 14094149 LYQJGDVXWVXBON-UHFFFAOYSA-N 361.492 4.772 0 40 FJAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc(C(C)(C)C)cc1 14094219 LLRYRQHWURHGFU-GFCCVEGCSA-N 355.463 4.726 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 15707326 XBRUFSVIOLKMEP-GOSISDBHSA-N 373.452 4.940 0 40 FJAB Cc1ccc(-c2nc(CSc3nc(O)c4c(n3)CCCC4)c(C)o2)cc1 16840777 DWCYMYMUQNPQHX-UHFFFAOYSA-N 367.474 4.625 0 40 FJAB O[C@@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(F)cc1 17378401 LHCBUQBFGUQNHB-VUNKPPBISA-N 367.508 4.768 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1 20456764 VCFALDBKWOHOEL-HNNXBMFYSA-N 368.658 4.899 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCc1ccccc1 21787098 LLSMHPDLYPGHBA-OAQYLSRUSA-N 361.489 4.743 0 40 FJAB O=C(NCC1(c2cccs2)CCOCC1)c1ccc(Cl)c(Cl)c1 23238131 XAAFEIJZEWPFAQ-UHFFFAOYSA-N 370.301 4.533 0 40 FJAB CC[C@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 24132820 IFRGEXIFEFPNPG-ZDUSSCGKSA-N 374.506 4.842 0 40 FJAB O=C(NCc1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 24716347 LYKSARZIIXFHLY-UHFFFAOYSA-N 358.466 4.745 0 40 FJAB CCOc1ccc(-[n+]2cc(-c3ccc(OC)cc3)n3c2CCCCC3)cc1 27788739 AAGPWOZVWMOTOU-UHFFFAOYSA-N 363.481 4.566 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(O)c1 31819166 VXANDHLJAXATHO-UHFFFAOYSA-N 355.397 4.563 0 40 FJAB Cc1ccc(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 38756763 YBHYHTJTIOIZRG-UHFFFAOYSA-N 363.432 4.572 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1Br 40890140 ITQRKQBXZYJMMF-UHFFFAOYSA-N 368.658 4.900 0 40 FJAB CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3ccncc3)nc(=O)c12 46849721 KZVGVBFDGYAHCK-NSHDSACASA-N 359.520 4.569 0 40 FJAB O=C(NCCc1cccs1)N[C@H](c1ccc(F)cc1)c1cccs1 48302107 FAZYAJVIGRMJLV-QGZVFWFLSA-N 360.479 4.580 0 40 FJAB O=C(c1ccc(Oc2ccccc2)cc1)N1CC(c2nc3ccccc3[nH]2)C1 56924148 SQEBPUIPQKDCFD-UHFFFAOYSA-N 369.424 4.595 0 40 FJAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1 65808306 HDNLGBYZVUXFQT-UHFFFAOYSA-N 368.433 4.789 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(N)cc2Cl)c1 72229063 FUBWPXIYKIHTTP-AWEZNQCLSA-N 357.885 4.862 0 40 FJAB Cc1ncsc1COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 89565592 QEELBADLRHPPJY-SDQBBNPISA-N 361.772 4.794 0 40 FJAB Cc1nc(/C=C/C(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)cs1 95364814 ASFMUHLXMJHYIX-RMKNXTFCSA-N 369.877 4.747 0 40 FJAB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccccc2)no1 96277041 CFTHJYYGKRQLSC-INIZCTEOSA-N 355.825 4.517 0 40 FJAB COc1ccc(C)cc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219456834 AJBKPKNAEMXPEO-UHFFFAOYSA-N 374.440 4.536 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C4CC4)c3C)N21 222682571 DOGKQYFCXVLMDF-UIAACRFSSA-N 366.534 4.814 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)NCCCc1ccc(Cl)cc1 222796615 USWIQMZRYDELAS-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 222866250 VTHYPECEYLIQRN-MOPGFXCFSA-N 353.462 4.571 0 40 FJAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223206405 AZRGNZAPEBNAQZ-INIZCTEOSA-N 351.490 4.729 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 225376932 NAZOMCRCRVFFJS-CYBMUJFWSA-N 363.379 4.990 0 40 FJAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(C(C)C)cc1 225448776 YPFNCEJLRBVVJH-UHFFFAOYSA-N 364.518 4.791 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225793537 FXLOVHFOVXXSSH-UHFFFAOYSA-N 351.837 4.590 0 40 FJAB COc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c(OC)c1 225848772 ZQOPLLHTCRWXTL-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3cccc(C)n3)CCCC2)cc1 225872999 JAEVXOUPBFVEOA-UHFFFAOYSA-N 355.507 4.545 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnn(Cc2ccccc2)c1 225889664 USPOILBMCOCHRO-UHFFFAOYSA-N 369.424 4.976 0 40 FJAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2cccnc12 225891242 AHQOFKCKQZTXHV-UHFFFAOYSA-N 370.493 4.948 0 40 FJAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccc(C(F)(F)F)nc1 390830774 NGKIABDMAOONGU-UHFFFAOYSA-N 369.412 4.535 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1 408547397 JFFJGBGVZLQDBZ-HNNXBMFYSA-N 358.441 4.951 0 40 FJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 408841830 HVMCAOOTIUBAQQ-XMHGGMMESA-N 359.816 4.570 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(F)cc1)N2 409001534 WKUQWUZAMGPZOL-BAGYTPMASA-N 359.400 4.995 0 40 FJAB CCc1oc2ccccc2c1CC(=O)N[C@H](c1ncc(C)s1)C1CC1 528661017 GYIQNLIIBGNGFZ-IBGZPJMESA-N 354.475 4.570 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCO[C@H](c2ccsc2)C1 626624119 WCATUHMRMHHKBE-AWEZNQCLSA-N 374.359 4.511 0 40 FJAB CSc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978502 SMGFWXFWAOEDTO-QGZVFWFLSA-N 369.511 4.600 0 40 FJAB Cc1ccc(-n2ncc3c2NC=N[C@@H]3Nc2ccc3ccccc3c2)cc1 1250985 KCJLRKVHUVDYOB-OAQYLSRUSA-N 353.429 4.898 0 40 FJAB C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccnn1C(=O)c1ccccc1 3027698 BJQRJOLOYSRLJI-CYBMUJFWSA-N 360.335 4.730 0 40 FJAB COc1cccc(NC(=O)[C@@H](NCCC2=CCCCC2)c2ccccc2)c1 3351489 LGJFTMWAOSYOOQ-QFIPXVFZSA-N 364.489 4.855 0 40 FJAB COc1ccc(CNc2c(-c3ccc(O)cc3)nc3cccc(C)n23)cc1 4848471 ONSBQUQLSBFXRV-UHFFFAOYSA-N 359.429 4.636 0 40 FJAB Cc1nc2cc(F)ccc2n1C1CCN(Cc2ccc(Cl)cc2)CC1 4858316 FDCQXIYGBZFYPB-UHFFFAOYSA-N 357.860 4.974 0 40 FJAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Br)cc1 5925468 PCLZXBQPKZSATE-UHFFFAOYSA-N 368.296 4.682 0 40 FJAB Cn1cccc1CSc1nnc(-c2cccs2)n1-c1ccccc1 6820890 YRZZQHXULCKEQI-UHFFFAOYSA-N 352.488 4.627 0 40 FJAB C[C@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc2ccccc12 8216577 NBHKCZHUQKJFCJ-KRWDZBQOSA-N 359.473 4.879 0 40 FJAB O=C(CCc1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 8305844 RCVXRIXLEHRVRM-UHFFFAOYSA-N 368.477 4.774 0 40 FJAB CCc1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 8339258 DNHZVQUPRFONIM-UHFFFAOYSA-N 369.277 4.814 0 40 FJAB O=C(COc1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 8754663 JEKRQZQANIKOFU-HNNXBMFYSA-N 372.877 4.692 0 40 FJAB CC[C@H](C)NC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 8938133 JBIPEJVEJCOSCK-NSHDSACASA-N 354.928 4.546 0 40 FJAB Fc1ccccc1-n1cnnc1SCc1csc(-c2cccs2)n1 9315135 BXLMJLAUFQAWCL-UHFFFAOYSA-N 374.491 4.884 0 40 FJAB COc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254580 CBXYRECEVCUQAC-UHFFFAOYSA-N 372.852 4.601 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 11009319 HMEAHDKHZWCSFG-UHFFFAOYSA-N 355.781 4.829 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 12824602 SWOGZIAIYGUBRA-OAHLLOKOSA-N 370.518 4.537 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCc2ccccc21 12825397 CTQUTCCOEKXDOX-UHFFFAOYSA-N 366.848 4.907 0 40 FJAB C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cc(F)ccc1F 12997276 QDNXSCPPJLPWLD-ZIAGYGMSSA-N 354.400 4.796 0 40 FJAB CCCn1c(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)nc2ccccc21 14093004 SOSADFYHCBINLV-GOEBONIOSA-N 351.450 4.734 0 40 FJAB O=[P@](O)(CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1 20566948 LGAYKRRLZVMOOE-JOCHJYFZSA-N 365.413 4.988 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1F 22245844 IFBZQXBRNKRXTK-UHFFFAOYSA-N 363.364 4.865 0 40 FJAB O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccs1 22461605 RKPJENQTPGVKJZ-UHFFFAOYSA-N 361.426 4.641 0 40 FJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H](C)CCCC(C)C 23298925 UVCJJRGVKGECEI-INIZCTEOSA-N 372.557 4.893 0 40 FJAB c1ccc([C@@H](Nc2ncnc3c2oc2ccccc23)c2ccccn2)cc1 24153896 SDTJWFUULHGOCU-LJQANCHMSA-N 352.397 4.973 0 40 FJAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCC[C@@H]1Cc1ccccc1 25087624 QQEQROZDOXMQPS-GOSISDBHSA-N 365.864 4.577 0 40 FJAB COc1cc(C(=O)N(C)C2CCC(C)CC2)ccc1OCc1ccccc1 25625031 RNPFGZIXGQFKRN-UHFFFAOYSA-N 367.489 4.925 0 40 FJAB O=C(COc1ccc2ccccc2c1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32090395 FMVQUMNTTYROPN-UHFFFAOYSA-N 370.452 4.891 0 40 FJAB Clc1ccc(Br)cc1Cc1ccc(O[C@@H]2CCOC2)cc1 34775523 HUNLNKBDQXGMAP-MRXNPFEDSA-N 367.670 4.861 0 40 FJAB CCN(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccccc1C 36716834 SGOCNLRNNYZESV-UHFFFAOYSA-N 353.853 4.560 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1C(F)(F)F 36835714 VZUSGUUUNYQJPB-SFHVURJKSA-N 356.347 4.620 0 40 FJAB Cc1cc(Br)cc(Cl)c1NC(=O)c1ccnc(Cl)c1 40134651 QAXFVMFZUHUYGX-UHFFFAOYSA-N 360.038 4.712 0 40 FJAB O=C(NCc1ccc(F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 44846500 SOWYQGBQWXDQPZ-UHFFFAOYSA-N 374.459 4.709 0 40 FJAB CC[C@@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccccc1OC(C)C 58210336 CHPJKWQOQNZWNV-QUCCMNQESA-N 367.493 4.867 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349620 QHDZPDKITFEWTM-QGZVFWFLSA-N 352.453 4.784 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3c[nH]c4c(C)cccc34)[nH]c2c1 78099257 FLMNHWMHPJQNMU-FQEVSTJZSA-N 372.472 4.567 0 40 FJAB Cc1nc2ccccc2nc1C[S@](=O)Cc1c(Cl)cccc1Cl 84057622 KIAYYPRXAHFGKE-QHCPKHFHSA-N 365.285 4.694 0 40 FJAB COC(=O)c1cccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)n1 95365006 VJWJZNCWXOVOSP-UHFFFAOYSA-N 372.380 4.534 0 40 FJAB O=C(Nc1cccs1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119710 FQERTNNQCBVWNE-UHFFFAOYSA-N 366.402 4.626 0 40 FJAB Clc1cccc([C@H](NCC2=Cc3ccccc3OC2)c2ccccn2)c1 97015235 LVQMSLRMZWZAFN-QFIPXVFZSA-N 362.860 4.890 0 40 FJAB CC(C)(C)Nc1ccccc1NC(=O)/C=C/c1c(Cl)nc2sccn12 97117374 ZVGYCWNLNZQZOZ-CMDGGOBGSA-N 374.897 4.912 0 40 FJAB CC(C)C[C@@H](NC(=O)Cc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 109340261 ICEVNGNJFACUCY-HXUWFJFHSA-N 374.488 4.501 0 40 FJAB biogenic CC1CCN(c2ccc(C(=O)NCC(C)(C)c3cccc(F)c3)cc2)CC1 141540129 GMOMSZALESYTGH-UHFFFAOYSA-N 368.496 4.770 0 40 FJAB Cc1cnn([C@H]2CCCN(C(=O)c3c(-c4ccccc4)oc(C)c3C)C2)c1 186682348 KQIXNXVTNQDJKL-IBGZPJMESA-N 363.461 4.546 0 40 FJAB C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)C1 222181303 ZVCDZKFBGOPISW-IIAWOOMASA-N 369.896 4.525 0 40 FJAB Cc1ccc(SCCC(=O)NCCOc2ccc3ccccc3c2)cc1 223583008 NJEOYVVQHZZNMB-UHFFFAOYSA-N 365.498 4.826 0 40 FJAB Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 408628490 UGABDRLNPWJQGI-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 409095210 AAWKHSRTOIIJOE-SDQBBNPISA-N 353.727 4.860 0 40 FJAB Cc1ccc(N2C(=O)S/C(=C\c3cc(C)n(C4CC4)c3C)C2=O)cc1 409123063 DMOMSRSNRXKHNH-WQRHYEAKSA-N 352.459 4.989 0 40 FJAB CC(C)C[C@@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)n1cccc1 575443487 MLVMOQASEIXQLT-PMACEKPBSA-N 367.468 4.890 0 40 FJAB O=C(c1cccc(OCc2ccccc2)c1)N1CCC2(CC1)CC2(F)F 675007930 FIVQXPBTAWSDSJ-UHFFFAOYSA-N 357.400 4.527 0 40 FJAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728063498 FIJFTPOVXHVQHC-QGZVFWFLSA-N 366.358 4.891 0 40 FJAB CCOc1ccc(NC(=O)CSc2nc3ccccc3cc2C)cc1 902878 PGSRQPIPQDOTGJ-UHFFFAOYSA-N 352.459 4.673 0 40 FJAB Cc1cc2nc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)[nH]c2cc1C 1385872 BRMZPKJHKWYMCX-QFIPXVFZSA-N 369.468 4.894 0 40 FJAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 3216560 NMWLGLVZNQNZJK-UHFFFAOYSA-N 363.388 4.597 0 40 FJAB Cc1noc(C)c1COC(=O)c1cc(-c2cccs2)nc2ccccc12 3317327 VQPXODPGWZWFCV-UHFFFAOYSA-N 364.426 4.925 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(SC)c1 3417300 BCDWNILCVYXJHE-NSHDSACASA-N 350.871 4.510 0 40 FJAB Cc1ccc(C(C)C)cc1CN1C(=O)C(=O)c2cc(Br)ccc21 4553856 LYXXAEKEUXUOOO-UHFFFAOYSA-N 372.262 4.610 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)O)ccc21 4676024 UEYYLZOZZSWWEI-UHFFFAOYSA-N 352.434 4.644 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C(C)C)cc1 4816536 LAFREESDQIVCAA-LEWJYISDSA-N 374.488 4.618 0 40 FJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1F 4849288 PXAQGDHUDDWWOB-UHFFFAOYSA-N 354.450 4.976 0 40 FJAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1C1CCCCC1 5865298 YHQPXQUKJFDCRS-UHFFFAOYSA-N 355.507 4.555 0 40 FJAB CC(C)/N=C1\S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1C(C)C 6324908 KWKIQHLFDSMPFM-PXSLEKJFSA-N 356.413 4.795 0 40 FJAB O=C1Nc2ccccc2S[C@H]1Nc1ccc(Cl)c(C(F)(F)F)c1 6938225 SNWJLOSIUYHRCV-CQSZACIVSA-N 358.772 4.841 0 40 FJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1Cl 7580346 LOKLDVBGYRDKDB-UHFFFAOYSA-N 360.866 4.635 0 40 FJAB CN(Cc1ccc(Br)s1)C(=O)c1cc2ccccc2o1 7980674 AYRNNQDKBIAPEQ-UHFFFAOYSA-N 350.237 4.529 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)s1 8036261 VACXUTGXHSROIN-CMDGGOBGSA-N 352.459 4.617 0 40 FJAB C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(-n2ccnc2)cc1 8229867 DEEDSAVEZGHQGG-QGZVFWFLSA-N 372.472 4.554 0 40 FJAB Cc1ccccc1NC(=O)c1cn2nc(C)c(-c3ccccc3)c2nc1C 8559352 CZBYFVFRMQYEGL-UHFFFAOYSA-N 356.429 4.574 0 40 FJAB C[C@H](Cc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1)c1ccccc1 9095429 RNBPXSODENAMLS-CYBMUJFWSA-N 371.893 4.719 0 40 FJAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 10110582 DKYFJVCCFXZOQN-QGZVFWFLSA-N 359.897 4.782 0 40 FJAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccncc1 10126287 ABOUYBFLJRIFDQ-UHFFFAOYSA-N 373.412 4.671 0 40 FJAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)cc1 10338875 UQIHLHGZAAORDO-OAHLLOKOSA-N 366.848 4.755 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 10958274 UODFLHDUACGVFK-UHFFFAOYSA-N 363.314 4.591 0 40 FJAB CCOc1c(Cl)cc(C(=O)N2CCc3sccc3[C@@H]2C)cc1OC 13023424 IVPBFRVDZASFLJ-NSHDSACASA-N 365.882 4.568 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1 14424928 BHXOQHRNYONMFB-JTQLQIEISA-N 354.233 4.502 0 40 FJAB CCCCOc1ccc(NC(=O)COc2ccccc2C)c2cccnc12 15841081 CSVQYSSZATWBGP-UHFFFAOYSA-N 364.445 4.740 0 40 FJAB COc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1Cl 19199672 WHPWNQRVVQZSNI-UHFFFAOYSA-N 374.849 4.636 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 22522815 VZHBGTZFNUKATB-LJQANCHMSA-N 374.937 4.560 0 40 FJAB CCCCCC[C@@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 22902348 OARHZZYHMFAXQH-OAHLLOKOSA-N 358.482 4.959 0 40 FJAB Cc1ccc2c(Cn3c(C(F)(F)F)nc4ccccc43)cc(=O)oc2c1C 29300083 YIBWNVJBQKDRIN-UHFFFAOYSA-N 372.346 4.827 0 40 FJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCC[C@@H]1c1ccncc1 29809573 DJCHXOPPBHVFCS-AQKVLALTSA-N 363.848 4.660 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 32976312 DADDPDXUWXFDMZ-JTQLQIEISA-N 364.829 4.803 0 40 FJAB CCOC(=O)c1cc2cc(NC(=O)c3c(C)noc3C(C)C)ccc2s1 40082361 ZNIIWMBOHWMSPP-UHFFFAOYSA-N 372.446 4.750 0 40 FJAB Cc1ccc2c(Nc3ccc(C)c(C)c3)c(C(=O)N3CCCC3)cnc2n1 49004549 BYXZSLUUKVVTHS-UHFFFAOYSA-N 360.461 4.535 0 40 FJAB CCCCCn1c(SCc2cccc(OC)c2)nc2ccsc2c1=O 67259657 VTKSLLBOPRJQMI-UHFFFAOYSA-N 374.531 4.949 0 40 FJAB COCc1cc(Cn2cnc(-c3ccccc3)c2-c2sccc2C)n[nH]1 67886179 LRACDVUIRBFXKH-UHFFFAOYSA-N 364.474 4.505 0 40 FJAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2ccc(Br)s2)C1 71283887 IBZOQKYVWXHOAB-SNVBAGLBSA-N 366.284 4.946 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Cc2cccnc2)CC1 95457612 OJXRPNHOXAUZCL-UHFFFAOYSA-N 363.383 4.587 0 40 FJAB CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 139140543 CNHZNJIJXXQIPS-QGZVFWFLSA-N 351.368 4.660 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)c1 222928485 LVBOEIQMORQGAQ-KRWDZBQOSA-N 357.519 4.530 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)COc1ccc(C(C)(C)C)cc1 223781495 FIRUFFAYMUHGIX-UHFFFAOYSA-N 369.505 4.682 0 40 FJAB COc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(Cl)c(C)c1 224201469 KDTFESIQVXTLHG-UHFFFAOYSA-N 361.869 4.764 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1C 224376360 UCGWKIUZIINNIJ-UHFFFAOYSA-N 353.462 4.599 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224897199 LKZYBFSHSHQEFL-AWEZNQCLSA-N 350.418 4.546 0 40 FJAB S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 225347173 TWNHNKFDOBTSMY-UHFFFAOYSA-N 372.346 4.608 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 225484938 VBYGMYURHOYHLX-LJQANCHMSA-N 367.518 4.560 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1snnc1-c1ccc(F)cc1 225779760 TVKXCVSSYDEBDT-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(C)cc1C 225814280 DCMGCMXKERGKIO-GOSISDBHSA-N 365.395 4.969 0 40 FJAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260753135 BMOCAGXSICQZPB-TYCQWZJGSA-N 374.513 4.770 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2C)cc1 408696572 ATUMFBZNOLSHKP-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)[C@H]2CCCC[C@H]12 543918949 RFSJZRJBJUKMDZ-XWIAVFTESA-N 358.482 4.529 0 40 FJAB CC(C)Cn1ncc(NC(=O)[C@H](C)CCc2cccc(F)c2)c1C1CC1 576019095 RERJQRCOZQGMNC-OAHLLOKOSA-N 357.473 4.763 0 40 FJAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2CC1CCCC1)c1ccncc1F 585081056 LZTVARQMBYJBJQ-HNNXBMFYSA-N 367.468 4.863 0 40 FJAB O=C(N[C@@H](CCc1ccccc1)c1ccccc1)c1ccc2nc(O)oc2c1 619025564 ZTQVZRCPJYUNIM-IBGZPJMESA-N 372.424 4.637 0 40 FJAB CN1[C@H]2CC[C@@H]1C=C(N(C(=O)c1ccc(Cl)cc1)c1ccccc1)C2 755209 PAAJTXSXVPEGFW-MOPGFXCFSA-N 352.865 4.737 0 40 FJAB O=c1oc2c3c4c(cc2c(Cl)c1Cc1ccccc1)CCCN4CCC3 863117 MVRIBSLPYLHVLF-UHFFFAOYSA-N 365.860 4.736 0 40 FJAB Cc1cccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C 1358366 FBKHKUJYBJMIJC-MRXNPFEDSA-N 364.518 4.756 0 40 FJAB O=S1(=O)CC[C@@H](Sc2cccc(C(F)(F)F)c2)c2ccsc21 1398501 IFTALSFLIGTMIC-GFCCVEGCSA-N 364.435 4.778 0 40 FJAB Cc1ccc(Cn2ccc(=O)c(OCc3c(F)cccc3Cl)c2C)cc1 1405173 BNKBMNBHQPTTEX-UHFFFAOYSA-N 371.839 4.885 0 40 FJAB CCCCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 1807760 SCAROQQDOKKHPZ-UHFFFAOYSA-N 355.434 4.685 0 40 FJAB Cc1ccc(C)c(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 2349151 VTQJQQZWHOUUEN-UHFFFAOYSA-N 366.534 4.866 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1 2627171 IMHHDDWOMAWECS-AWEZNQCLSA-N 358.869 4.612 0 40 FJAB Cc1ccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)cc1C 4749749 WQBYMBAVKAUHRB-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB COc1ccc([C@@H](CCNC(=O)C2CCCCC2)c2ccccc2)cc1 5302498 CKPAYTQKELBEOK-QFIPXVFZSA-N 351.490 4.914 0 40 FJAB CCn1nc(NC(=O)c2ccccc2Cl)c2cc3ccc(C)cc3nc21 5501490 XGQNQNWEXLFKOH-UHFFFAOYSA-N 364.836 4.819 0 40 FJAB COc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 5514284 INLRASNHWLTVHK-UHFFFAOYSA-N 374.651 4.845 0 40 FJAB Cc1c(Cl)cccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6016816 FTMSLHTWGUQNBL-UHFFFAOYSA-N 362.907 4.950 0 40 FJAB COc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(C(C)C)cc1)=N2 6077021 NTJCPROTENWBIY-UHFFFAOYSA-N 370.456 4.648 0 40 FJAB O=C(/C=C/c1ccc2ccccc2n1)OCCCC(=O)c1ccc(F)cc1 6121251 CASMAIKNFLEVJJ-BUHFOSPRSA-N 363.388 4.593 0 40 FJAB COC(=O)c1c(NC(=O)Nc2cccc(C(F)(F)F)c2)sc(C)c1C 6595100 UCQNCPKRWQCVJO-UHFFFAOYSA-N 372.368 4.814 0 40 FJAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2ccccc2c1 6816956 AWKZQBOOICKFCX-UHFFFAOYSA-N 366.848 4.582 0 40 FJAB Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C 8042063 LTBZCJMHPFAXGJ-UHFFFAOYSA-N 351.475 4.781 0 40 FJAB O=C(Oc1cc(=O)oc2ccccc12)c1sc2ccccc2c1Cl 9892577 QAMRXKPLIYXNOK-UHFFFAOYSA-N 356.786 4.880 0 40 FJAB Cc1cccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)c1 10213695 WMXIOEDPFCMCAG-UHFFFAOYSA-N 374.492 4.884 0 40 FJAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 11725516 HGNKOYGWKJJREN-LJQANCHMSA-N 359.853 4.880 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914546 HBLQZLPRRKCRTI-UHFFFAOYSA-N 364.420 4.855 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3cc(F)ccc3C)cs2)cc1 12773711 KRCHLPBNHITDCX-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2ccccc2OCC(F)(F)F)c(C)c1 12932282 HROWVXZBTQSQIR-UHFFFAOYSA-N 367.367 4.570 0 40 FJAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 13552802 POLIIAABYWYIOD-UZLBHIALSA-N 354.475 4.577 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)ccc1Br 13709770 FXCYNFPJNVEZID-LLVKDONJSA-N 368.658 4.817 0 40 FJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1cc(C)cc(C)c1)=C2 15838683 GAEASOQDUOLHGK-UHFFFAOYSA-N 355.821 4.894 0 40 FJAB Cc1cc(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c(C)n1C1CC1 17750153 SCYJUOMEDYYDLO-UHFFFAOYSA-N 369.465 4.944 0 40 FJAB Cc1ccc(-c2csc3ncnc(N4C[C@H](C)O[C@H](C)C4)c23)cc1C 18061057 ODMTYSQVXGKFMD-GASCZTMLSA-N 353.491 4.589 0 40 FJAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1 20489358 XNOAWTANCCMHNO-CQSZACIVSA-N 363.910 4.578 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)c(C)c1 20492733 CAXWXXBVKAXHJS-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl 21787135 WQNVLRIKRPZPQG-LJQANCHMSA-N 367.880 4.812 0 40 FJAB O=C(CCCc1ncc(-c2ccccc2)o1)NCC1(c2ccccc2)CC1 31715091 ADHXXGIOVFJOFT-UHFFFAOYSA-N 360.457 4.512 0 40 FJAB CC[C@@H](C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 40108889 BGWCOWNBNZITBT-JOCHJYFZSA-N 372.468 4.749 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2OC)cc1 44795757 CWHBVTMHRZETBW-UHFFFAOYSA-N 374.440 4.963 0 40 FJAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 44837290 ADDLAOQXVBEOKF-UHFFFAOYSA-N 370.250 4.708 0 40 FJAB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 49543886 GZCIGHDILPEOPO-QGZVFWFLSA-N 352.463 4.611 0 40 FJAB CC(=O)Nc1ccc(OC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1 63914492 JYLIIIVILJGNEG-UHFFFAOYSA-N 360.822 4.574 0 40 FJAB Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1sccc1C 65591075 CDNJHPALJQOLPR-UHFFFAOYSA-N 370.503 4.628 0 40 FJAB CC(C)[C@@H]1CC[C@H](C)[C@H](OC(=O)COC(=O)c2ccc(Cl)cc2)C1 102155553 DVQXGUVUAJQEDN-YSVLISHTSA-N 352.858 4.501 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 118914740 OAWOATRDZLDNDV-NOECQHEYSA-N 362.554 4.769 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1cnc(-c2ccc(F)cc2)nc1 222613741 LUNQDUQQQILAMQ-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2conc2-c2ccccc2)cc1 225872418 CBUVVRYXWZSSNK-UHFFFAOYSA-N 364.401 4.551 0 40 FJAB O=C(NCc1cccc2ccccc12)N1CCC(Oc2ccsc2)CC1 575620764 VLYPGNOINKFQAD-UHFFFAOYSA-N 366.486 4.654 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2ncnc3sc(C)c(C)c23)c(C)c1 888526 JKQLCUKHOZEFPO-UHFFFAOYSA-N 371.531 4.964 0 40 FJAB CN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(Cl)cc2)s1 1356434 ZLWPSVXLPVVWJH-KPKJPENVSA-N 355.850 4.535 0 40 FJAB O[C@H](c1cc(-c2cccc(Cl)c2)nc2ccccc12)[C@H]1CCCCN1 1596775 RFNVOGZLEKVTMA-TZIWHRDSSA-N 352.865 4.731 0 40 FJAB COc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OCc1ccccc1 2620261 RDACWNGRBODTOJ-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB Cc1ccc(N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 3109651 GWCZBKNSRXZNEH-MRXNPFEDSA-N 371.695 4.842 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2c(Cl)cccc2Cl)cc1C 3310426 XJERUVHAZUXHAB-UHFFFAOYSA-N 358.246 4.792 0 40 FJAB c1ccc(-c2nnc3ccc(SCc4cccc5ccccc45)nn23)nc1 4327301 RXTYVHWHPUZWNU-UHFFFAOYSA-N 369.453 4.632 0 40 FJAB CCCCOc1ccc(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1 4526186 JXGLNXWAVSWBLC-UHFFFAOYSA-N 371.521 4.581 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(Cl)c(Cl)c1 5249858 REBXSPRAXJFPLH-XTXLJPNXSA-N 373.283 4.631 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 6205477 BQPNLLIBBYATMR-UHFFFAOYSA-N 353.491 4.668 0 40 FJAB O=c1[nH]c(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2ccccc12 7487821 AHDRHWJWAMTONY-UHFFFAOYSA-N 370.783 4.888 0 40 FJAB Cc1nc(-c2cccc(N[C@@H](C)C(=O)N(C)Cc3ccccc3)c2)cs1 8429245 YMVREQTZYJULEF-HNNXBMFYSA-N 365.502 4.578 0 40 FJAB CCOc1cc2ccc(-c3ccc(OC)c(OC)c3)c(OC)c2cc1OC 8816475 HNRREBSEQRZWSB-UHFFFAOYSA-N 368.429 4.940 0 40 FJAB CCOc1ccc(-c2nnc(CN[C@@H](C)c3ccccc3Cl)o2)cc1 8938124 UTQDYURJVSGLLZ-ZDUSSCGKSA-N 357.841 4.640 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(C)c1 9141825 NXSYTXSYIMGWJA-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB Cc1cccc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2ccccc2)c1 9215726 OUGCBVYSSLMQNL-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)c3ccccc3)cc2c1 9427860 SNUJGKHODWLWTC-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB Cc1cccnc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9715063 FKLOUIDFEKMNQD-UHFFFAOYSA-N 374.469 4.811 0 40 FJAB COc1cccc(-c2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)c1 9750967 BGUGRNIFBJVSDA-UHFFFAOYSA-N 359.834 4.766 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)Cc1ccc(Cl)c(Cl)c1 10541950 SRGRIAKBKMBGEY-UHFFFAOYSA-N 350.245 4.524 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 11636854 XHLUMMHGPUOTNH-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc2ncsc2c1 12266548 SEGCWSHGGXAQNT-SFHVURJKSA-N 350.468 4.877 0 40 FJAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1 12438472 AMYMIUJSHXSOSX-XQDODVJUSA-N 366.486 4.637 0 40 FJAB Cc1nn2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2c1-c1ccccc1 12652907 OZTNLSWUITVCKM-UHFFFAOYSA-N 351.409 4.818 0 40 FJAB COc1ccc(N2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 13942389 DCUDOJFOBFQNMC-QHCPKHFHSA-N 368.436 4.937 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(F)c(F)c2)nc2ccc(Cl)cc12 15829207 UFRFDPMMQVPPQS-UHFFFAOYSA-N 362.763 4.817 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1Cl 17076020 CIFWYGKHZRPZEE-UHFFFAOYSA-N 370.861 4.634 0 40 FJAB Cc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)cc1C 19213869 NTRDJSOGZCPLDN-JOCHJYFZSA-N 359.473 4.526 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC 20047801 WJUFBNZWLJVMKA-HNNXBMFYSA-N 359.491 4.748 0 40 FJAB O=C(CSC1=Nc2ccccc2CS1)Nc1cc(F)ccc1F 20959632 BBUUFLVCOWEKLV-UHFFFAOYSA-N 350.415 4.571 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCC1=CCCCC1 22245673 FRKBOFULEMRXTG-UHFFFAOYSA-N 359.470 4.955 0 40 FJAB COc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22245870 GUYZQMVOTYNIRY-UHFFFAOYSA-N 357.410 4.595 0 40 FJAB COc1ccc(CSCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 22524796 QCPGMRQJYLCNRO-FQEVSTJZSA-N 357.519 4.832 0 40 FJAB Cc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1F 32784318 RLFHYLBGWUTCRL-UHFFFAOYSA-N 369.421 4.641 0 40 FJAB Fc1ccc([C@@H](Nc2nccc(C(F)(F)F)n2)c2cccs2)cc1 45026467 KHJQTRZAVOEKIJ-CQSZACIVSA-N 353.344 4.898 0 40 FJAB CCCCOc1ccc2oc(C)c(C(=O)NCCc3ccccc3)c2c1 46086137 RKTBGFOMUPXZGJ-UHFFFAOYSA-N 351.446 4.893 0 40 FJAB C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)c1nc(C2CC2)no1 58195270 XNZZLVXURVKOMH-LBPRGKRZSA-N 370.840 4.748 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(N4CC[C@H](Nc5ccccc5)C4)c23)C1 60369891 QYUZIADLONNFBK-HOCLYGCPSA-N 364.518 4.507 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1C 61997144 SVHDSZJKGOVHEX-UHFFFAOYSA-N 350.418 4.998 0 40 FJAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)[C@@H]1C[C@@H]1c1cccc(F)c1 84368131 VTFGHFCZYIHBNW-HUUCEWRRSA-N 373.840 4.740 0 40 FJAB CCCOc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223705463 KZBYSDOBIPVFCH-UHFFFAOYSA-N 355.478 4.582 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 223718327 UTHRQANJRADBCC-SFHVURJKSA-N 369.505 4.563 0 40 FJAB C[C@H](NC(=S)Nc1ccc(N2CCCCCC2)nc1)c1ccccc1 223958651 UOAWHEADRKDVCQ-INIZCTEOSA-N 354.523 4.510 0 40 FJAB CCCOCc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OCC 224711440 GJWOPDKIPVJGNI-SFHVURJKSA-N 369.505 4.763 0 40 FJAB CC(C)Oc1cccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224988179 RBFXVHHVRYPVGV-UHFFFAOYSA-N 361.869 4.601 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225661933 IYONLIQFCKFUQG-UHFFFAOYSA-N 355.434 4.556 0 40 FJAB CC(C)C[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccccc4)coc3c21 524729371 QMBBQDBTDPTAOG-AWEZNQCLSA-N 364.397 4.604 0 40 FJAB biogenic O=C(NCc1cncc(-c2ccoc2)c1)Nc1ccccc1C(F)(F)F 575619229 BFUYMMALSOAYIY-UHFFFAOYSA-N 361.323 4.682 0 40 FJAB Cc1cn(C2CCCCC2)nc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 666668970 NMVHQYVJTWHGSV-HNAYVOBHSA-N 352.482 4.547 0 40 FJAB CCc1csc(CC2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 1214554970 LPKCQVCMZVAXLM-UHFFFAOYSA-N 357.523 4.809 0 40 FJAB CCc1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1Cl 1310704658 KZSSEVZGRORGMA-NRFANRHFSA-N 370.880 4.956 0 40 FJAB CCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 844609 HNPXEKAXUIALNQ-KKSFZXQISA-N 350.462 4.706 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(C)c1 934647 MKGHBCMDGYVFCV-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1Cl 983422 UJEOALHLWXDUTE-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB CCOc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1 1080959 JWVZKZJNSRZZIY-UHFFFAOYSA-N 359.219 4.930 0 40 FJAB biogenic Cc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c2c1CCCC2 1251159 WAXCWDUSCNYOIL-UHFFFAOYSA-N 371.893 4.971 0 40 FJAB Cc1ccc(C)c(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 1326985 WBLIYUGNCOPNKT-UHFFFAOYSA-N 364.518 4.756 0 40 FJAB Cc1ccc(NC(=O)c2[nH]c(=S)nc(N)c2-c2ccccc2C)cc1C 1617715 GAARGUPBXRHTHS-UHFFFAOYSA-N 364.474 4.566 0 40 FJAB Cc1cccc(C)c1N1CCc2cnn(C(=O)c3ccccc3Cl)c21 2254803 MZDJXMIVNUUSPJ-UHFFFAOYSA-N 351.837 4.536 0 40 FJAB CCCCn1nc(NC(=O)c2ccccc2)c2cc3cc(OC)ccc3nc21 2596191 SIMWVXKLFPWTAL-UHFFFAOYSA-N 374.444 4.646 0 40 FJAB O=C(CSc1ccc2ccccc2c1)NCCc1ccc(Cl)cc1 2636028 MIYUDVVHPRHIHD-UHFFFAOYSA-N 355.890 4.944 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)N1CCc2ccccc21 2644746 KGGWUVDFPCQODN-UHFFFAOYSA-N 354.500 4.758 0 40 FJAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 3324406 CFIDJATWAMOOGU-UHFFFAOYSA-N 367.446 4.769 0 40 FJAB CC(C)CCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033437 KQGCJSDHXBWASU-MRXNPFEDSA-N 365.452 4.742 0 40 FJAB CCOc1cccc2c1Oc1nc(-c3ccc(C)cc3)nc(S)c1C2 4315658 UVNWDOSVFULGSC-UHFFFAOYSA-N 350.443 4.836 0 40 FJAB Cc1cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)ccc1Br 4852728 VYPMZWGONLUVOD-YJBOKZPZSA-N 373.250 4.527 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc(Cl)c1 5024136 JSJKLECSJXUUFW-NBMJBFSESA-N 353.849 4.522 0 40 FJAB CCOc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c(O)c1 5163324 LQUBPWYXLXJRHK-UHFFFAOYSA-N 359.223 4.611 0 40 FJAB O=C(Nc1ccccc1)Nc1ccc(O)c(NC(=O)Nc2ccccc2)c1 5603987 JFSZIORHAGDRLX-UHFFFAOYSA-N 362.389 4.680 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1 6080607 ODRYZVFJAUFUEO-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1c(Cl)cccc1Cl 7058537 RCJVUFOVLDGZCP-VIFPVBQESA-N 366.273 4.989 0 40 FJAB O=c1ccn(C/C=C\c2ccccc2)c(=S)n1C/C=C\c1ccccc1 8665734 LMJDRRZKQIAUGW-PVRNWPCDSA-N 360.482 4.806 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)c1 9141935 YPHWGAWAYBQUGY-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB CCc1nnc(CSc2nnc(Nc3ccc(C(C)C)cc3)s2)o1 9368082 VJTIRXHWROEJEH-UHFFFAOYSA-N 361.496 4.643 0 40 FJAB CCNc1nc(Nc2cc(C)cc(C)c2)c2cnn(-c3ccccc3)c2n1 9573550 NPXARRWGMOEPPJ-UHFFFAOYSA-N 358.449 4.608 0 40 FJAB CCCCc1noc(CN2CCc3sccc3[C@@H]2c2ccccc2)n1 12777646 JMJMSMZPYMTJNI-FQEVSTJZSA-N 353.491 4.621 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)ccc1Cl)O[C@@H](C)C2 12780979 MZUAZHHCZNYZJQ-JTQLQIEISA-N 366.244 4.968 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 12977996 ALWCVCVOVTVQRR-LSDHHAIUSA-N 351.421 4.968 0 40 FJAB CCCCCc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 13012021 IDJPICKIZPYEEO-UHFFFAOYSA-N 358.507 4.630 0 40 FJAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2nc(-c3cccc(Cl)c3)cc2n1 13562618 SEECMLGFTCWDCJ-OKILXGFUSA-N 354.885 4.840 0 40 FJAB CCc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)o2)cc1 14196799 MUNZPMBLJIHTLS-LBPRGKRZSA-N 371.437 4.557 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 14582704 DJAUHOBGKPZZHG-DHZHZOJOSA-N 371.462 4.621 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c(C)c1 20040102 XTSUMRNQFHJESP-LJQANCHMSA-N 369.461 4.585 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)cc1 20044551 GZEQZDLUIDSWET-FQEVSTJZSA-N 355.478 4.564 0 40 FJAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1NCc1ccccc1 20158915 YWOAWFNZYDOKRA-NTKDMRAZSA-N 370.496 4.952 0 40 FJAB CCCn1c(NC(=O)Cc2nc(-c3ccccc3)oc2C)nc2ccccc21 22475369 RLVWMVFJPHUDIX-UHFFFAOYSA-N 374.444 4.591 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(F)c(Cl)c1 27925970 OGGNGRWJCJDRMZ-UHFFFAOYSA-N 372.831 4.603 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 30869585 PBISLQMTGUYWJW-JOCHJYFZSA-N 368.521 4.941 0 40 FJAB CCc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)n2C[C@H]2CCCO2)cc1 32719392 LFJDETCMKXYFTJ-VQIMIIECSA-N 372.534 4.605 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(-c2ccco2)n1 32753977 AOIKKZOPAOLVOD-LBPRGKRZSA-N 352.415 4.983 0 40 FJAB COc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2cnccn12 35616248 LCCMWEPXJZAZAP-UHFFFAOYSA-N 350.809 4.802 0 40 FJAB COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)c1 36612859 VZNKNIFLOIIUAY-UHFFFAOYSA-N 359.351 4.783 0 40 FJAB CC(=O)c1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 38398080 XDSCBPMKKACNNJ-UHFFFAOYSA-N 368.480 4.781 0 40 FJAB O=C(/C=C/c1ccccc1Cl)Nc1c2c(nn1-c1ccccc1)CCC2 38510730 XASLEADYHFNENJ-BUHFOSPRSA-N 363.848 4.666 0 40 FJAB COc1ccc(-c2nnc(CN(Cc3ccccc3)[C@@H](C)C3CC3)o2)cc1 40120224 ZDVZAHGOPDFEDQ-INIZCTEOSA-N 363.461 4.546 0 40 FJAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1 40267224 WMFNRETVTZMOLJ-AWEZNQCLSA-N 350.399 4.632 0 40 FJAB Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2C)cc1 40307236 YFIPPHIRIKFVMK-UHFFFAOYSA-N 355.441 4.959 0 40 FJAB CC(C)(c1ccccc1)c1ccc(O[C@H]2CCCNC2)c(Br)c1 42774863 UDKDYAHSQWCJOQ-KRWDZBQOSA-N 374.322 4.906 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 44885852 FJOBMIFPGDXOBD-WMZHIEFXSA-N 359.469 4.977 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)N1CCC(N2CCCC2)CC1 47346329 GAVMCXIRZGNEEQ-UHFFFAOYSA-N 365.477 4.571 0 40 FJAB Cc1cc(NCCc2ccccc2C(F)(F)F)nc(-c2ccncc2)n1 60861157 PFXUTPNVUHPRME-UHFFFAOYSA-N 358.367 4.520 0 40 FJAB O=C(NCC1CC1)c1cc2c(OCc3ccc(Cl)cc3)cccc2[nH]1 90610294 JMLXCCDURWVTBY-UHFFFAOYSA-N 354.837 4.540 0 40 FJAB CC(=O)c1cc(C(=O)Nc2ccc(Sc3ccccc3)cc2C)n(C)c1 95369468 SPSCQNRJRPMIAL-UHFFFAOYSA-N 364.470 4.940 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccccn2)c1 96122672 OQRRBFMQGWFBDB-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)S1 222635707 STSFVOACQFGUQJ-XPGWFJOJSA-N 366.534 4.978 0 40 FJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCCC1 222735371 FXDFMZPNMFHDJT-PMACEKPBSA-N 368.550 4.607 0 40 FJAB Cc1cccc(CSCCNC(=O)COc2ccc3ccccc3c2)c1 222832183 FLFZUGPAGJNWJQ-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219368 RVDNZLNLIRZFCF-LIRRHRJNSA-N 357.881 4.864 0 40 FJAB COc1cc(C)c(C(=O)NCCOc2cc(C)ccc2C)cc1C(C)C 224052768 UHOGGLTXKYSZSH-UHFFFAOYSA-N 355.478 4.553 0 40 FJAB CCOc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1Cl 224186826 VLLXXGNKFNPGTI-UHFFFAOYSA-N 368.260 4.509 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)c2cccnc12 225516799 OGLGNNQPNLBIHQ-OAHLLOKOSA-N 365.502 4.551 0 40 FJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225624867 LFRKXMVVTATUJN-KUHUBIRLSA-N 371.905 4.678 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cccc(Cl)c2oc1=O 226039720 UMCRGSHSZWORDW-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]21)c1ccccc1 409371506 KHZFFQBQVOFGLL-OHUMZHCVSA-N 369.464 4.699 0 40 FJAB Cc1cc(Br)c(O)c(NC(=O)c2ccc(C3CCC3)cc2)c1 1631609746 ZBSLKUFULZWACK-UHFFFAOYSA-N 360.251 4.983 0 40 FJAB CCOC(=O)c1cc(NCc2ccccc2)c2cc(OC)c(OC)cc2c1 639566 KGWMIQGLZKWMOF-UHFFFAOYSA-N 365.429 4.646 0 40 FJAB O=C(Oc1ccc(Br)cc1Br)c1cccc(F)c1 642732 MVGDFKIWVNUESE-UHFFFAOYSA-N 374.003 4.570 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(F)c(Oc2ccccc2)c1 646033 RGYFZOIRRUMKIV-CPNJWEJPSA-N 359.356 4.963 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4cccs4)c23)C1 928919 UKOZXZCGHBCVDC-JTQLQIEISA-N 360.529 4.853 0 40 FJAB CC(C)OCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2436541 VTVYYPKZWCXASX-UHFFFAOYSA-N 364.424 4.601 0 40 FJAB COc1cccc(NC(=O)CCCSc2nc3ccccc3s2)c1 2629231 GWKQGQDQKHNQRP-UHFFFAOYSA-N 358.488 4.816 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(SC)cc1OC 2643409 GCMRIOMGERGCSG-UHFFFAOYSA-N 351.855 4.640 0 40 FJAB O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)c1ccccc1 4268557 BQUNMKSKPJNRGO-UHFFFAOYSA-N 360.482 4.997 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)c(C)n2C2CCCC2)c1C 5089998 AYDZOXVKCJQOOA-UHFFFAOYSA-N 373.522 4.738 0 40 FJAB Cc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)c(C)c1 5268067 BUGZLUSMQNBEHW-UHFFFAOYSA-N 350.443 4.501 0 40 FJAB Cc1ccc(C(=O)[C@H](C)OC(=O)CSc2nc3ccccc3s2)cc1 6150897 AUPBBTWDRXMWCJ-ZDUSSCGKSA-N 371.483 4.511 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1I 6926977 FCMYBZHRKCACSW-UHFFFAOYSA-N 372.593 4.589 0 40 FJAB COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1cccs1 7274958 DKGFKYISGAABOQ-UHFFFAOYSA-N 374.893 4.674 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 7957205 XFJQJQOSKPMJNF-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2c(C)cccc2C(C)C)C(C)C)cc1 9514849 UZLNXLXOXVJBSJ-HXUWFJFHSA-N 366.505 4.820 0 40 FJAB COc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)c1 10254547 DYJSMORSVZUJEH-UHFFFAOYSA-N 372.852 4.601 0 40 FJAB O=C(c1ccc2c(c1)OCCCO2)c1cc2cc(Br)ccc2o1 11157976 CVUVTFFFENPXAD-UHFFFAOYSA-N 373.202 4.588 0 40 FJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 12774241 LSMUABSFCCOTPP-KRWDZBQOSA-N 372.515 4.521 0 40 FJAB O=C(Nc1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 12783098 TZZOVFJBTRBQQM-UHFFFAOYSA-N 356.381 4.937 0 40 FJAB COc1ccc(CCC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 12795132 PXEACNPGWUOQHP-UHFFFAOYSA-N 374.431 4.850 0 40 FJAB O=c1[nH]c2ccc(-c3csc(Nc4ccc(F)c(Cl)c4)n3)cc2[nH]1 14092928 WYHDKCDAUTVPDC-UHFFFAOYSA-N 360.801 4.516 0 40 FJAB CCc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3F)o2)cc1 14198909 KYNQGZBJCBPKFO-GFCCVEGCSA-N 371.437 4.557 0 40 FJAB Fc1ccccc1CSCCNC(=S)Nc1cccc(Cl)c1 18146451 IFUAAAWYIMZUME-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB CCCc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 18889798 DRXBCEITVISHSG-UHFFFAOYSA-N 355.847 4.750 0 40 FJAB C[C@@H](Oc1ccccc1)C(=O)OCc1cc(-c2cc3ccccc3o2)on1 22769011 QEJCIMGIXMTEHM-CQSZACIVSA-N 363.369 4.599 0 40 FJAB COc1ccc2nc(C(=O)Nc3ccccc3SC(F)F)ccc2c1 24884837 KKIFCEDMGGRABW-UHFFFAOYSA-N 360.385 4.810 0 40 FJAB CCCn1c(C)cc(-c2csc(NC(=O)c3cc(Cl)c[nH]3)n2)c1C 29277123 PDAFZFILTGWOIT-UHFFFAOYSA-N 362.886 4.872 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCCCC2)cc1 30943892 VXVQULKHMRGQFI-FQEVSTJZSA-N 364.533 4.814 0 40 FJAB Cc1nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)sc1-c1ccccc1 40133472 DXDYFNCGTXDUPC-UHFFFAOYSA-N 366.442 4.791 0 40 FJAB CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215504 VZSSDYRAXVOMDY-SFHVURJKSA-N 359.514 4.923 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216670 JPHUJLWPUUCRET-GOSISDBHSA-N 359.514 4.924 0 40 FJAB Cc1nc(-c2ccccc2)sc1CN1CCC(Oc2ccccn2)CC1 72308076 JYCMAPHKIYKHJB-UHFFFAOYSA-N 365.502 4.557 0 40 FJAB CCC[C@@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96114944 HZKLIACZBGWAQX-WIYYLYMNSA-N 353.547 4.558 0 40 FJAB biogenic O=C(Nc1ccccc1Oc1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 114899647 BPCHMRLHEQETMT-INIZCTEOSA-N 362.433 4.614 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222949793 OMLOBIKRXAAGHZ-KSFYIVLOSA-N 367.489 4.609 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224888288 BICRTAJZGLTLHA-RBUKOAKNSA-N 367.449 4.608 0 40 FJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 225568632 QGUQUAICRHKQCF-SFHVURJKSA-N 367.489 4.859 0 40 FJAB CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(C)c1 225755388 TZAXRQJNZKHBDX-FQEVSTJZSA-N 367.489 4.529 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1Cl 225793628 JIFIFVBCSHIYPJ-UHFFFAOYSA-N 372.255 4.935 0 40 FJAB CC(C)[C@H]1O[C@H]2c3c(ccc4ccccc34)OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257319185 VRDNXLHYKDZOKG-XNFNUYLZSA-N 354.446 4.814 0 40 FJAB O=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1c1ccccc1 408967863 XRPCEXVFDIRQTH-QGOAFFKASA-N 364.401 4.857 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1csc2ccccc12 575622519 ZHPHKFIIIHLALQ-QGZVFWFLSA-N 358.894 4.587 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cccc(C)c4)c(N)c3cc2C1 661743 CLCVIUZTRUPUMY-ZDUSSCGKSA-N 365.502 4.954 0 40 FJAB Cc1cc(C)n(-c2cc(Nc3cccc(F)c3)nc(-c3ccccc3)n2)n1 797404 UHUYLHAIKNXCAR-UHFFFAOYSA-N 359.408 4.829 0 40 FJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C)o1 1465644 NSNAQJJUHQZWCF-UHFFFAOYSA-N 373.405 4.885 0 40 FJAB COc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1 2247098 NNMGQVWHDBSKGT-UHFFFAOYSA-N 366.424 4.703 0 40 FJAB Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 2726229 ATFGNUOGDLHABT-UHFFFAOYSA-N 365.614 4.732 0 40 FJAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(Cl)cc2)c1C 3253863 RHUOWPYGDRHHMT-UHFFFAOYSA-N 367.832 4.799 0 40 FJAB Cc1ccccc1CS[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3380385 XTQSYTTVDLUZHM-NSHDSACASA-N 355.290 4.957 0 40 FJAB CCc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3388902 ZNOFFEQKHKTFEW-UHFFFAOYSA-N 356.775 4.972 0 40 FJAB COc1ccccc1C(=O)Nc1nnc(-c2c(C)c(C)cc(C)c2C)s1 4070380 IXHNPIDFMHWGPE-UHFFFAOYSA-N 367.474 4.700 0 40 FJAB O=C(c1cccs1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120453 HNWAKCMYBRHEEJ-UHFFFAOYSA-N 370.421 4.512 0 40 FJAB COc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12 4121610 POMUQRAYCOZYGL-UHFFFAOYSA-N 370.459 4.617 0 40 FJAB COc1ccc(C)cc1CSc1nnc(Cc2cccs2)n1C1CC1 5359981 KNHQZKRAKUNXKB-UHFFFAOYSA-N 371.531 4.875 0 40 FJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Cl)c1)N2 6630670 AAAPMHQMBWUGBJ-AYOQOUSVSA-N 357.837 4.761 0 40 FJAB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2C[C@@H]2C)c2ccccc2)cc1Cl 6639687 OUKYUAKZYAHJAS-OWQGQXMQSA-N 357.837 4.527 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1OC(F)F 7407127 XJOSNJVEQBACJK-UHFFFAOYSA-N 360.385 4.593 0 40 FJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 7883976 PBNPLHWZDREPBN-JOCHJYFZSA-N 358.441 4.770 0 40 FJAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3ccccc3c1)CC(=O)N2 8770800 ZAXOOTKFOFOPMF-HXUWFJFHSA-N 353.425 4.808 0 40 FJAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 12080449 PJIVQNXLURAJMI-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB CCn1c(C2CC2)nn(CN(C)Cc2cccc(Cl)c2Cl)c1=S 14197101 GHWZPTDGZSFHLX-UHFFFAOYSA-N 371.337 4.708 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N(c2ccccc2)c2nc(C)cs2)cc1 14586585 JLZNKAVDRWPHAA-INIZCTEOSA-N 352.459 4.892 0 40 FJAB Cc1c(Cl)cccc1Nc1nnc(SCC(=O)C(C)(C)C)s1 16323603 IRLSJICPMABRLO-UHFFFAOYSA-N 355.916 4.951 0 40 FJAB Clc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19900151 AJFWMMLFGIOUDW-UHFFFAOYSA-N 350.893 4.811 0 40 FJAB Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NC3CCCCC3)nc21 20560405 VSLSWAARNGGOLD-UHFFFAOYSA-N 356.861 4.505 0 40 FJAB COc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](C)C2 20672227 XKSVBLOWYYLSLB-ZDUSSCGKSA-N 365.408 4.529 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@@H]1C(F)(F)F 24990092 NYYVWAITVWETMY-GWCFXTLKSA-N 354.199 4.773 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c1 27919972 RYQXYCYKTGLTJT-UHFFFAOYSA-N 371.893 4.867 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27993994 GBQAARTVPIFATA-UHFFFAOYSA-N 368.408 4.796 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 38833395 NCCQMHSMYRWYOQ-SFHVURJKSA-N 356.897 4.808 0 40 FJAB COc1ccc([C@H](NC(=O)Nc2ccccc2N2CCCC2)C2CC2)cc1 40103753 XFFAQMCGZNBWHP-OAQYLSRUSA-N 365.477 4.568 0 40 FJAB Cc1cccc(C2=NC3(CCCC3)N(C(=O)c3ccc(F)cc3)C2=S)c1 45932909 NGPNMAONQGEVBH-UHFFFAOYSA-N 366.461 4.677 0 40 FJAB Cc1ccc(-n2c(C)nnc2Sc2ncnc3sc(C)c(C)c23)cc1 48339829 KZSDQFHXWLSJSI-UHFFFAOYSA-N 367.503 4.657 0 40 FJAB Cc1nc(Cc2nnc(S[C@H](C)c3ccc(F)c(F)c3)o2)cs1 58170885 WTZYBSMWYMBAGO-MRVPVSSYSA-N 353.419 4.557 0 40 FJAB CCc1c(-c2csc(-c3cccc(C(=O)O)c3)n2)[nH]c(C)c1C(C)=O 58342345 JLAQKIGFHRBGGK-UHFFFAOYSA-N 354.431 4.577 0 40 FJAB O=C(Cc1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1ccncc1 60644336 PXLABVYUQOMEMT-DEOSSOPVSA-N 352.437 4.683 0 40 FJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)n1 67190084 PPDSPEHLHQTWGS-GYHWCHFESA-N 355.397 4.621 0 40 FJAB C[C@H]1C[C@@H](OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 75279225 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361.551 4.515 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225149639 OWYBYTFLDXGCHI-UHFFFAOYSA-N 354.475 4.524 0 40 FJAB Cc1ccc(C)c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225234095 WPZFHIPZYMNSSG-UHFFFAOYSA-N 363.432 4.952 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC(C)(C)Cc1ccccc1 225282183 OIXPKEAJJAHBLL-IBGZPJMESA-N 359.897 4.943 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c(C)c1 225469476 ZXRVTMKGJOOJNX-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB O=C(CCc1cccc2ccccc12)Nc1nnc(-c2ccccc2)s1 225471650 GZHXJIBZCYNCMF-UHFFFAOYSA-N 359.454 4.930 0 40 FJAB Cc1ccc(CCCC(=O)NCCc2c(C)[nH]c3ccc(F)cc23)s1 257173436 NHWKKDRMHSAYHK-UHFFFAOYSA-N 358.482 4.667 0 40 FJAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)C(C)C)c3)oc2c1 408628363 RTUYOIRCNKTYDY-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@@H](c3ccccc3)N12 408994030 YCBNRIXSWZWCDZ-LJQANCHMSA-N 361.470 4.920 0 40 FJAB COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2 670736 KMJLDZFPMQDDHJ-HZPDHXFCSA-N 369.486 4.546 0 40 FJAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 1016808 RDLJKEIRIVQLET-GOSISDBHSA-N 350.805 4.925 0 40 FJAB CC1(C)C[C@@H]([C@H](CCNC(=O)c2cccs2)Cc2ccccc2)CCO1 1322369 WJCLVGYMVXGTON-MOPGFXCFSA-N 371.546 4.932 0 40 FJAB biogenic C[C@@]1(C(=O)c2ccccc2)N(c2ccccc2)[C@@]1(C)C(=O)c1ccccc1 1615979 HDRBXGSPQHHEPE-ZEQRLZLVSA-N 355.437 4.790 0 40 FJAB COc1ccc(O[P@](C)(=O)Nc2ccc(Br)cc2)cc1 3157045 ZOTVQTSUPIMBPG-FQEVSTJZSA-N 356.156 4.772 0 40 FJAB COc1ccc(OC(=O)c2ccc(Br)cc2)c(C(C)(C)C)c1 3330616 TWPMLMIIVUXCLV-UHFFFAOYSA-N 363.251 4.974 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138213 JLWRASGRUMRGPT-UHFFFAOYSA-N 368.864 4.639 0 40 FJAB COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 4848493 IBMAQGYWPVUCKT-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NCc1cccs1 4849445 URQKRQAILYXDHW-UHFFFAOYSA-N 370.543 4.884 0 40 FJAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1 4854556 IROAFUBTBLBMSX-FQEVSTJZSA-N 367.399 4.712 0 40 FJAB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c1 5049027 LGNYGCVNQFPATF-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5164602 VLUQTNBLGGAGNZ-WMZHIEFXSA-N 370.408 4.658 0 40 FJAB COc1cc(C(C)=O)ccc1OCc1csc(-c2ccc(C)cc2)n1 5229398 AMURDJXMLIHRJG-UHFFFAOYSA-N 353.443 4.909 0 40 FJAB CCOc1ccc(Cc2c(C)[nH]c3c(Br)cccc3c2=O)cc1 5690579 NHMPWJUAHXEJCB-UHFFFAOYSA-N 372.262 4.589 0 40 FJAB O=C(NCCc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1 6337626 WHEKUCOZRMYZDC-UHFFFAOYSA-N 373.481 4.573 0 40 FJAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(OCc2ccccc2)cc1 6507911 XGGVBAFIYOEKKP-SFHVURJKSA-N 372.468 4.655 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCOc2ccccc21 7215307 XMDRNHAINYDDHD-INIZCTEOSA-N 368.820 4.557 0 40 FJAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(N2CCCC2=O)cc1 7285387 PTQLKAIXIBLRRU-UHFFFAOYSA-N 368.436 4.637 0 40 FJAB COc1cc(C)ccc1Oc1ncnc2c1cnn2-c1cccc(Cl)c1 7443821 KNNHOOOVUPUXRX-UHFFFAOYSA-N 366.808 4.578 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c1 7739792 HCZUDPYMOAMUSJ-FQEVSTJZSA-N 367.470 4.593 0 40 FJAB Cc1[nH]n2c(n/c(=N\[C@@H]3CCCc4ccccc43)c3ccccc32)c1Cl 7779334 MDLQQKHLWXPTBB-HLGQQVFSSA-N 362.864 4.756 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8275600 QPGJEROCDSAXFD-QGZVFWFLSA-N 372.852 4.870 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8517221 AHGHGJNRNZHDHD-LBPRGKRZSA-N 355.381 4.846 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8517223 AHGHGJNRNZHDHD-GFCCVEGCSA-N 355.381 4.846 0 40 FJAB Cc1ccc2cc(COC(=O)[C@]3(C)CC3(Cl)Cl)c(Cl)nc2c1 10863527 ITHMKSRJEFUYMQ-HNNXBMFYSA-N 358.652 4.824 0 40 FJAB COc1ccc(C(=O)Nc2cccc(CNCCC3=CCCCC3)c2)cc1 12772765 QVDLAMXZIATBKS-UHFFFAOYSA-N 364.489 4.928 0 40 FJAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2O1 15432124 YQZMXSJSHKUFPL-UHFFFAOYSA-N 366.244 4.724 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1Cc2cc(Cl)ccc2O1 15583080 IAVJWWJEGXJRKS-FQEVSTJZSA-N 363.844 4.549 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1Cl 16022823 SMNDXQYPBRMSOZ-JTQLQIEISA-N 350.643 4.694 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1Cl 20142518 ANSJQXSOLZYHAE-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)cc1 22409759 JXEYAJHVOFAMEC-UHFFFAOYSA-N 353.397 4.570 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C(C)(C)C)cc2)cc1 22765837 JQIQIEUDLCTHFK-HNNXBMFYSA-N 367.493 4.673 0 40 FJAB O=C(/C=C/c1ccc(Br)cc1)N(Cc1ccc(F)cc1)C1CC1 24337135 KXDSYGOIOMYHGY-LFYBBSHMSA-N 374.253 4.793 0 40 FJAB O=C1CSc2ccccc2N1C(=S)Nc1cccc2ccccc12 28527754 LXZNEWGXICOCEH-UHFFFAOYSA-N 350.468 4.676 0 40 FJAB COc1ccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1OC 43266832 OFUMHSDPKBSJSB-GOSISDBHSA-N 360.479 4.818 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(OC(C)C)c1 44901665 MGPGICRYZLDYGQ-GOSISDBHSA-N 361.869 4.601 0 40 FJAB COc1ccccc1CN(C)C(=O)c1ccccc1OCc1ccccc1 44902430 AJCHLZMOHMORQZ-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB Cc1ccc(C)c(N(C)C(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 55895319 XEUKJFTYRBYJBJ-UHFFFAOYSA-N 368.458 4.795 0 40 FJAB Cc1cc(C(=O)CSCc2ccccc2F)c(C)n1-c1nccs1 57679994 VUJSKNACSLXAKQ-UHFFFAOYSA-N 360.479 4.806 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc4ccccc34)cc2)n1 61138752 BIVFVILSELKDET-UHFFFAOYSA-N 369.468 4.631 0 40 FJAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3OC)no2)cc1 61997112 BHVIZOZVXXWUSW-UHFFFAOYSA-N 366.417 4.781 0 40 FJAB COc1ccccc1C(=O)Nc1cc(NC2CCCCC2)c(N)cc1Cl 72229547 FUPRSAQQMBWIBH-UHFFFAOYSA-N 373.884 4.928 0 40 FJAB Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)c1C 79110543 VPBZYFHOLLYAKS-RTWAWAEBSA-N 360.461 4.550 0 40 FJAB CO[C@@](C)(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1F 96123670 CSOFKJFYWKWWIT-KRWDZBQOSA-N 370.346 4.528 0 40 FJAB CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 100758655 DXVUAPWZLBEGEU-MUIFIZLQSA-N 362.256 4.641 0 40 FJAB CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)[C@H](N)C[C@]4(C)[C@H]3CC[C@]12C 118915654 ZSSPHCDGLYDLSV-QDLWMIRSSA-N 359.554 4.844 0 40 FJAB in-vitro O=C(c1ccc(-n2cccc2)cc1)N1CCS[C@@H](c2cccs2)CC1 219460292 XTLVGWAPEAUOSK-LJQANCHMSA-N 368.527 4.859 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2 222631988 OTUPMWCXQIAZBB-INIZCTEOSA-N 360.841 4.773 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 223046128 RAMRTFUAIOZCEX-GOSISDBHSA-N 350.506 4.726 0 40 FJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224388384 NDIFPMGNFKXLII-DLBZAZTESA-N 369.490 4.768 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225365773 XLKQKZDTICBEEQ-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB O=C(NCCc1ccc(-c2ccoc2)s1)c1nc2ccccc2s1 390831887 VSPNPPMNQYKCCQ-UHFFFAOYSA-N 354.456 4.590 0 40 FJAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(OCC)cc1 408827096 UPAAUQSWMRGBAA-UHFFFAOYSA-N 367.474 4.809 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc(OC(F)F)c1 652814 HNDCDTGKDQEIBZ-UHFFFAOYSA-N 363.694 4.795 0 40 FJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(Cl)cc1Cl 828626 RCWSMQZKXBZOKR-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB S=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1358363 HTYJKSOLLPTWKX-CYBMUJFWSA-N 370.909 4.793 0 40 FJAB Cc1ccc(CSc2nc3c(c(N4CCCCC4)n2)CCCC3)cc1 1393061 XWRCMEKPAFKHNK-UHFFFAOYSA-N 353.535 4.946 0 40 FJAB Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1cccc(Cl)c1 1400719 CDTFJQYRWAWYIM-UHFFFAOYSA-N 352.743 4.813 0 40 FJAB CC(C)[C@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 2402176 HKKYNQSIQIBIBO-INIZCTEOSA-N 361.401 4.564 0 40 FJAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1Cl 4386183 SWLODBZWUVEDAB-SFHVURJKSA-N 358.869 4.992 0 40 FJAB CCCCOc1cc(O)c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC 4807136 JSZNMSAOSSCBAW-UHFFFAOYSA-N 357.479 4.956 0 40 FJAB Fc1ccccc1-c1nnc2n1N=C(c1ccc3ccccc3c1)CS2 5025776 OZTHMDKGWIAJOC-UHFFFAOYSA-N 360.417 4.596 0 40 FJAB CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 5215843 AAXBCBPWDLFNPD-HKUYNNGSSA-N 358.894 4.963 0 40 FJAB Brc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1 6229433 CUSVHOCNTMNVJW-UHFFFAOYSA-N 356.248 4.887 0 40 FJAB O=C(O)/C(=C/c1cccs1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603216 BLKCMNJQJPOCTL-WQLSENKSSA-N 364.835 4.669 0 40 FJAB Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 7687954 WVOVSSUWZKTWBG-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB Cc1occc1-c1nnc(S[C@@H](C)c2nnc(-c3ccccc3)o2)o1 7825466 IDOFVVYMCXHBQU-NSHDSACASA-N 354.391 4.541 0 40 FJAB Cc1ccc(OC(=O)c2c(-c3ccccc3)noc2C)c(Br)c1 8071726 LSNVKSWGHQUTSS-UHFFFAOYSA-N 372.218 4.940 0 40 FJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)N2C(=N1)Nc1ccccc12 9087374 PPBMNVYQNNIITE-FQEVSTJZSA-N 370.412 4.535 0 40 FJAB O=C1CCc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc2N1 9335630 TYZDQYQCAVJOEM-UHFFFAOYSA-N 358.397 4.616 0 40 FJAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccco2)cc1 9355717 ZAWJAGAFPQOQSX-HXUWFJFHSA-N 373.412 4.638 0 40 FJAB CC(C)c1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)CC(C)(C)C3 10156998 FWJMLGQJLCFGIT-UHFFFAOYSA-N 368.868 4.723 0 40 FJAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Cl)c(Cl)c1 11008324 XRVXKDSMAUKOMJ-NSHDSACASA-N 353.249 4.842 0 40 FJAB CCCC(CCC)C(=O)Nc1cccc(-c2cn3nc(OC)ccc3n2)c1 11693406 SQGFLSQBQUVLSX-UHFFFAOYSA-N 366.465 4.560 0 40 FJAB Cc1nc2c(c(C)c(C)n2Cc2ccncc2)c(N)c1Cc1ccccc1 12321322 FVPMRYSRVPRMPO-UHFFFAOYSA-N 356.473 4.578 0 40 FJAB COc1ccc(-c2c/c(=N\c3ccccc3N)c3ccccc3o2)cc1OC 12661720 QSJGWLQOSNECNG-NCELDCMTSA-N 372.424 4.932 0 40 FJAB biogenic COC(=O)c1ccc(F)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 12789891 ZLRMICSEWQHPOC-UHFFFAOYSA-N 365.360 4.657 0 40 FJAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12 12974606 ICLFHQSQDKYKHQ-MRVPVSSYSA-N 368.289 4.741 0 40 FJAB CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(CO)CO 13540283 IEPGNWMPIFDNSD-AVQMFFATSA-N 354.531 4.696 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)c3cc(-c4ccco4)on3)ccc2o1 33216137 VQGSJHUMHPRWRI-UHFFFAOYSA-N 351.362 4.626 0 40 FJAB Cc1cc2ncn(CCc3noc(-c4ccc(Cl)cc4)n3)c2cc1C 33320713 XKSCMYUOCKCUEN-UHFFFAOYSA-N 352.825 4.599 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)O)CC[C@@H]32)C1 35950344 RDRFJIOUMNDZPW-KKYFFNGPSA-N 362.554 4.958 0 40 FJAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 38566828 JEKSXYGYWRXNND-CQSZACIVSA-N 364.367 4.735 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 44857200 AJWQXAOYLLVJOO-UHFFFAOYSA-N 350.506 4.510 0 40 FJAB CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1cccs1 48326342 ZQEBFUGKWIDTSD-UHFFFAOYSA-N 373.532 4.799 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364434 VZJQKODQODSEFS-FQEVSTJZSA-N 372.468 4.969 0 40 FJAB C[C@@H]1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)c2ccccc21 58246033 LUHRAQRTBLHBHV-QGZVFWFLSA-N 371.484 4.989 0 40 FJAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCCN1C(=O)c1ccccc1 72219257 KTULEDKRCCMQOX-OAQYLSRUSA-N 363.505 4.748 0 40 FJAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc2ncsc2c1 90592719 IQQUNRYSRGMBQI-UHFFFAOYSA-N 371.512 4.720 0 40 FJAB COc1ccc2c(c1)CN(C(=O)Nc1nccs1)[C@H](C1CCCCC1)C2 97013825 LGQGVXCZEGOKCW-SFHVURJKSA-N 371.506 4.691 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)c(F)c1)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194808 QOSKTUBJFPMFKX-OHYQEJIQSA-N 355.384 4.960 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)n1 170564624 DGAHKBJJRONBFW-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB CCCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218982920 ZUEXDAUPAZRJCX-IBGZPJMESA-N 369.461 4.516 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1C 222995394 WHLQWJJLCSYMIQ-HXUWFJFHSA-N 369.461 4.585 0 40 FJAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cccc(C)c1 224109488 DULGEKZSVXRAFQ-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB O=C(NCc1cccc(CN2CCCCC2)c1)Nc1cccc(Cl)c1 224695421 BTJLXGJIYSOFPP-UHFFFAOYSA-N 357.885 4.648 0 40 FJAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224927962 WWVPDQKKLBCNLO-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB CCCc1ccc(OCCNC(=O)c2ccc(OCC)c(Cl)c2)cc1 225194911 SIMRJYHKBOJAGR-UHFFFAOYSA-N 361.869 4.500 0 40 FJAB COc1ccc(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225335155 IUNCFLPXYUNKMV-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@]2(C1)CC2(F)F 650918988 PFZZKZBOHCCNHD-PZJWPPBQSA-N 355.428 4.661 0 40 FJAB Cc1ccc(-c2[nH]nc(NC(=O)c3coc(C4CCCCC4)n3)c2C)o1 669956781 JYEFPTWJMKSJQZ-UHFFFAOYSA-N 354.410 4.575 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)CC2CCCC2)CN1c1cccc(F)c1 1615119069 HNHAMAYENYVQIC-QFIPXVFZSA-N 358.501 4.756 0 40 FJAB CC(C)CC[C@]1(CCN2C(=O)c3ccccc3C2=O)CCO[C@H](C(C)C)C1 2110963 NEILMZQSPHYQKI-REWPJTCUSA-N 371.521 4.930 0 40 FJAB biogenic CCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12 2402137 DFCNVDUUJJKPSF-UHFFFAOYSA-N 368.481 4.704 0 40 FJAB COc1cc2ccccc2cc1C(=O)OCCCC(=O)c1ccc(F)cc1 2633589 QEOJSCKPZWEMPU-UHFFFAOYSA-N 366.388 4.807 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)c1 2723033 JRCNMWQRXWNJEL-UHFFFAOYSA-N 357.866 4.565 0 40 FJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 3175734 RBWJBGOTDBXWHA-HZPDHXFCSA-N 365.502 4.719 0 40 FJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)Nc1ccccc1 4305410 WTCGJECBRGFPFA-LJQANCHMSA-N 363.486 4.674 0 40 FJAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6346337 HMPYBAFUWVLYEE-YBFXNURJSA-N 362.454 4.918 0 40 FJAB Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cccs2)c1 6679140 DQWUERNETXNJQS-GUYCJALGSA-N 369.515 4.714 0 40 FJAB O=C(Cn1ccc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 7099452 PGJJSTIYUWUCRL-UHFFFAOYSA-N 352.743 4.952 0 40 FJAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1Cc1ccccc1 7141414 STUZBVSPSYMEBB-SFHVURJKSA-N 356.469 4.667 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)n1C1CC1 8314010 SFDTVFLWEORFRK-UHFFFAOYSA-N 352.434 4.734 0 40 FJAB C[C@@]12CC[C@H]3c4cc(OCC(F)(F)F)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 8665690 SEJLRFOCUWYOPK-JAJCWUMOSA-N 370.411 4.550 0 40 FJAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2ccccc2s1 8751669 DXCHIGDCAQOMKG-OAHLLOKOSA-N 359.401 4.944 0 40 FJAB CC(C)OCCCN1C(=O)C2=C(CCCC2)[C@H]1c1cn(C)c2ccccc12 9095112 UHWKFBIHEIOQNB-QFIPXVFZSA-N 366.505 4.747 0 40 FJAB COc1ccc2oc(-c3csc(NC(=O)Cc4ccccc4)n3)cc2c1 10883425 UESJOTCBJYIGFN-UHFFFAOYSA-N 364.426 4.746 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)cc3F)cc(C3CC3)nc21 12790229 CRDOOKHEPFZDHX-UHFFFAOYSA-N 372.831 4.934 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)NCc3ccc(C)c(F)c3)o2)cc1 12995858 DZXGPVOPFLOYMB-UHFFFAOYSA-N 367.420 4.652 0 40 FJAB CCn1c(-c2cccc(Cl)c2)nn(CN(C)Cc2ccccc2)c1=S 13070698 LEMYITWZFLKMRF-UHFFFAOYSA-N 372.925 4.844 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2F)c(C(F)(F)F)c1 14120360 RLCNKNZJVPDGLZ-UHFFFAOYSA-N 374.721 4.709 0 40 FJAB N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)c1c[nH]c2ccccc12 14177099 WWLPOACZQZJEBD-WPNIOXTASA-N 372.424 4.516 0 40 FJAB C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)c(OC)c1 14182692 YTQVKSAMWUNKHF-YVZNUBBCSA-N 359.853 4.638 0 40 FJAB C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C/C=C/C(C)(C)O 15120610 YOQCKFCFAJIRRT-OVXNXNIRSA-N 354.402 4.582 0 40 FJAB biogenic O=C(NC1CCCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 16206104 LFDSQVQGSNNWLD-UHFFFAOYSA-N 350.340 4.565 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccccc2)sc2nc(-c3ccccc3)cn12 16740389 OVQDLSRKDGDWJX-UHFFFAOYSA-N 361.470 4.643 0 40 FJAB CCOP(=O)(OCC)[C@@H](NCc1ccccc1)c1ccccc1F 20267036 FABJBVXRSBUDSC-GOSISDBHSA-N 351.358 4.880 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(Cl)cc1Cl 20462254 WIUNWYSTMPVYAT-INIZCTEOSA-N 352.261 4.776 0 40 FJAB Cc1cc(C)nc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 24054514 GSZFZEYISOEJMK-UHFFFAOYSA-N 355.445 4.558 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)Sc3ncnc4ccsc34)o2)cc1 26961469 VUWNRMULOWWFSI-LLVKDONJSA-N 354.460 4.903 0 40 FJAB COc1ccc(N(Cc2cccs2)C(=O)c2sc(C)nc2C)cc1 32678597 CUBVKEVWHBTIQW-UHFFFAOYSA-N 358.488 4.677 0 40 FJAB COC(=O)c1c(NC(=O)c2csc(-c3ccccc3)n2)sc(C)c1C 32740669 GVDUHTLRSRAPCT-UHFFFAOYSA-N 372.471 4.527 0 40 FJAB Cc1c(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)oc2c1C(=O)CCC2 40133300 ODEHNNYRQHRUAZ-UHFFFAOYSA-N 361.825 4.800 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCc2c(F)cc(F)cc21 48368735 QRMFCRVSFBFZKB-UHFFFAOYSA-N 364.395 4.928 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(Cl)c1)CO3 58088627 SFTRPADNXMEOSC-UHFFFAOYSA-N 369.848 4.669 0 40 FJAB biogenic Clc1ccccc1-c1nc(CSc2nnc3n2CCCCC3)co1 58366143 NQEMSVMCVMWKHF-UHFFFAOYSA-N 360.870 4.605 0 40 FJAB COc1ccc(OC)c([C@@H]2CCCCN2C(=O)OCc2ccccc2)c1 72221895 KZUZDZLGWJNGQK-IBGZPJMESA-N 355.434 4.568 0 40 FJAB COc1ccc(NC(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc1 72277114 HADNXZYHBPVWMW-UHFFFAOYSA-N 361.445 4.633 0 40 FJAB Cn1cc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)c2ccccc21 84314305 ARYFFTPFWMPBGO-UHFFFAOYSA-N 370.408 4.650 0 40 FJAB O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCC[C@@H]1C1CCCC1 84339083 LWCXEZSWSQOQNX-QGZVFWFLSA-N 358.873 4.712 0 40 FJAB C[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C[C@@H](c2ccccc2)O1 84713987 MBQLUKQRZNGHAV-JPYJTQIMSA-N 374.484 4.603 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC(C)C)cc1 113954895 WXHJQTFCSUMVGP-GOSISDBHSA-N 361.869 4.601 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219317650 YOGIYVJMUWFGQQ-VQTJNVASSA-N 367.489 4.879 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 222552781 NCMWFEGMDJBYFV-UHFFFAOYSA-N 365.395 4.698 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc2c(c1)CCCC2 223096845 YSDJHNTZGXAWDA-AOMKIAJQSA-N 367.489 4.609 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)COc2cccc(C)c2)cc1C(C)C 223370195 LICVJEVXDXWJAU-KRWDZBQOSA-N 355.478 4.692 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3c(C)cccc3C)o2)cc1 224856653 OCSGRZWRFMJXQI-UHFFFAOYSA-N 364.445 4.928 0 40 FJAB CCOc1ccc(C(=O)NCc2cc(CC)ccc2CC)cc1OCC 225067623 XECGYJQXEGUJBI-UHFFFAOYSA-N 355.478 4.539 0 40 FJAB C[C@@H](O)c1ccc(C2(CNC(=O)Nc3ccccc3F)CCCC2)s1 225685849 HHYKKFHTBFVAHY-CYBMUJFWSA-N 362.470 4.574 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c(C)c1 408719652 NZORQDUKVSOBRJ-LICLKQGHSA-N 356.422 4.548 0 40 FJAB CC(C)CN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 409128125 DRPHRIHSUDLWQH-NVMNQCDNSA-N 356.491 4.990 0 40 FJAB Cc1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1C(=O)N(C)C(C)C 502442297 IBUGVFLYZJGTML-KRWDZBQOSA-N 368.525 4.960 0 40 FJAB Cc1ccccc1C[C@H](C)NC(=O)CN[C@@H](CC(C)C)c1ccccc1C 1616786130 DUMIONSQIMGCQK-REWPJTCUSA-N 366.549 4.728 0 40 FJAB Clc1ccc(Cc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1 632623 AFFYHBRBFOTLDC-UHFFFAOYSA-N 361.257 4.750 0 40 FJAB NC(=O)c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 2430727 YIFDJCPFFFNYJF-UHFFFAOYSA-N 365.241 4.559 0 40 FJAB O=C(O)c1ccccc1-c1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1 2709853 JIQQRAZRBLUGEP-UHFFFAOYSA-N 359.337 4.558 0 40 FJAB COC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 2886955 OBAZRSSGAKKCED-UHFFFAOYSA-N 354.358 4.656 0 40 FJAB COc1ccccc1C(=O)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1 2888793 YUIUJIXJPGQIQG-UHFFFAOYSA-N 372.376 4.688 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3296066 SPIJZWKIRFTAKW-UHFFFAOYSA-N 362.212 4.823 0 40 FJAB O=C(Nc1ccc(I)cc1)c1ccc2ccccc2c1 3560174 YJFIVGWAEVZDEB-UHFFFAOYSA-N 373.193 4.697 0 40 FJAB CCOC(=O)C[C@](O)(c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 3850475 WBSIPYBANMHGJY-DEOSSOPVSA-N 360.453 4.851 0 40 FJAB biogenic Brc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 4199219 OWSODSGJSXHARF-UHFFFAOYSA-N 359.267 4.967 0 40 FJAB C[C@@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)[C@H](C)CC1=O 4337453 MDWDYOWWFHITDX-ZIAGYGMSSA-N 352.459 4.709 0 40 FJAB Cc1cccc(Oc2ccc3[nH]c(C(=O)NCCCOC(C)C)cc3c2)c1 4704286 BECAVEPSOQCVIH-UHFFFAOYSA-N 366.461 4.814 0 40 FJAB CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O 4791448 SOCOMGZVYZHSDB-YJYMSZOUSA-N 360.479 4.864 0 40 FJAB CCN(c1ccccc1)c1nc(Cl)nc(N(CC)c2ccccc2)n1 4826179 JTOAJBPFKFVVAP-UHFFFAOYSA-N 353.857 4.841 0 40 FJAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ncoc2-c2ccc(C)cc2)c1 5002000 KMTAYHOWHQMRHX-UHFFFAOYSA-N 369.808 4.514 0 40 FJAB Clc1nc2ccccc2c(N2CCCCC2)c1CNCc1ccco1 5017417 MNNSXNLNUNJYAY-UHFFFAOYSA-N 355.869 4.761 0 40 FJAB CC(C)(O)CN(C(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1 5047615 HFXLSQLEWWRUFD-UHFFFAOYSA-N 365.517 4.751 0 40 FJAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 5475891 REKQMJKHYUGTIQ-UHFFFAOYSA-N 358.488 4.734 0 40 FJAB COc1ccc([C@@H]2NCc3c(sc4c3CCCC4)-n3cccc32)cc1 5759757 YBWUFNOXFGTPPO-FQEVSTJZSA-N 350.487 4.619 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2c(OCC)ccc3ccccc23)c1 8382766 DISIYXMTHYDCBA-UHFFFAOYSA-N 363.413 4.668 0 40 FJAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCc1ccccc1 8429073 KRAWVXZISWSZPU-UHFFFAOYSA-N 360.288 4.836 0 40 FJAB CCOc1cccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 9170690 UWXSQCRVHWHIMY-UHFFFAOYSA-N 374.853 4.901 0 40 FJAB COc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4)cc3o2)cc1 9660288 HELDEWDLKJQHIZ-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic C[C@@H]1c2ccsc2CCN1C(=O)COc1cc(Cl)ccc1Cl 10700973 ANZFJFCLIVQHHS-SNVBAGLBSA-N 356.274 4.580 0 40 FJAB CC(=O)[C@H](C)Oc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 11765763 XYHFYOHLYNBENE-AWEZNQCLSA-N 370.832 4.702 0 40 FJAB Cc1ccc(C(=O)CCNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 12447585 LYTLCHDFZZSXSZ-SFHVURJKSA-N 364.489 4.695 0 40 FJAB c1ccc2c(CSc3nnc(NC[C@H]4CCCO4)s3)cccc2c1 12578394 YXILOLQRVPXPMC-OAHLLOKOSA-N 357.504 4.575 0 40 FJAB CC(C)OCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 12759014 VCCFXJKWNLECBQ-UHFFFAOYSA-N 351.368 4.560 0 40 FJAB CCOc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)cc1OC 19533943 FCZLZLHHJQULAJ-INIZCTEOSA-N 374.531 4.686 0 40 FJAB O=C1[C@@H](C2CCN(Cc3ccccc3)CC2)CC=CCN1Cc1ccccc1 19695960 XWZQZZKOELBRBO-XMMPIXPASA-N 374.528 4.504 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(F)cc4)cc3n2)cc1 20610476 VOCHUGFOGYESAF-UHFFFAOYSA-N 374.419 4.935 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)c1 20744645 HMCMADIRAWXSSI-UHFFFAOYSA-N 373.412 4.929 0 40 FJAB CSc1nc2nc(-c3ccc(C)cc3)cc(-c3cc(F)cc(F)c3)n2n1 20800320 CMFKLHUZFGPOTF-UHFFFAOYSA-N 368.412 4.767 0 40 FJAB Cc1ccc(CN(C)C(=O)c2cccc(OCc3csc(C)n3)c2)cc1 23602502 JRBVSMRRKXOGLK-UHFFFAOYSA-N 366.486 4.611 0 40 FJAB COc1ccc(NC(=O)CCNc2ccccc2)cc1Cc1ccccc1 24836190 KXYXSDDVBXXXOT-UHFFFAOYSA-N 360.457 4.727 0 40 FJAB CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220567 NMGLLLMYBLLZQZ-KRWDZBQOSA-N 372.896 4.589 0 40 FJAB Cc1cccc(C(=O)CN(C2=NCCCS2)c2ccc(F)cc2)c1C 28527678 IGHRWSYGGNQLBR-UHFFFAOYSA-N 356.466 4.625 0 40 FJAB CCOCc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2nc1C 30178171 DKCIMMXUSRJAIO-UHFFFAOYSA-N 368.864 4.663 0 40 FJAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C)c1 32609714 BBHLKLBSZGQXKM-RTWAWAEBSA-N 359.473 4.599 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(F)c2cccnc12 32913746 APJVZZGBDYYBIE-UHFFFAOYSA-N 362.360 4.694 0 40 FJAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38859331 PCUPHPKLQRMQLM-ZIAGYGMSSA-N 357.325 4.510 0 40 FJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 44935742 UOEGNSMLRGINRK-HSZRJFAPSA-N 364.533 4.783 0 40 FJAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 54363198 QLTRAADDNDKTSU-UHFFFAOYSA-N 355.544 4.620 0 40 FJAB CC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](c1ccccc1)C(C)C 57335971 LUWWMTIBKCXSNZ-FQEVSTJZSA-N 364.445 4.561 0 40 FJAB Cc1cc2nc(NCCc3coc(-c4ccccc4)n3)c3ccccc3n2n1 58158944 YEUDXISBTOXUFI-UHFFFAOYSA-N 369.428 4.501 0 40 FJAB C[C@H](C(=O)Nc1cccc(Cl)c1)n1c(-c2cccs2)n[nH]c1=S 58430230 LQFVKAPMPFAVOM-SECBINFHSA-N 364.883 4.522 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)o1 60304398 AGAYAVYKWPHHCR-UHFFFAOYSA-N 352.459 4.719 0 40 FJAB CCOC(=O)Cc1ccccc1NC(=O)c1oc2c(Cl)cccc2c1C 71047316 KKGXSPWZNLOZAF-UHFFFAOYSA-N 371.820 4.753 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 82157610 SHTDOWTUFCYPRK-IZZDOVSWSA-N 355.850 4.819 0 40 FJAB Clc1ccc(NC2CCN(c3ccccn3)CC2)cc1Br 94668493 NTMLDPBNMBQYGL-UHFFFAOYSA-N 366.690 4.578 0 40 FJAB COc1ccc2c(c1)CN(C(=O)Nc1ccncc1)[C@H](C1CCCCC1)C2 97013831 HWOYLZQAXFERPD-NRFANRHFSA-N 365.477 4.629 0 40 FJAB Cc1cc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c(C)n1-c1nccs1 97695805 SXBFATZTCYUHQE-AWEZNQCLSA-N 355.463 4.509 0 40 FJAB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)cc1 219860572 SNVZMWNFHYHKBL-LJQANCHMSA-N 350.506 4.706 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccc(OC)cc1 222904007 MZRGOWRUKKQEIS-NRFANRHFSA-N 369.505 4.809 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1 224474694 BWVNMJDCNALRLT-SFHVURJKSA-N 363.910 4.544 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 224680111 ZQQUTOSUIQJLGO-MOPGFXCFSA-N 369.505 4.778 0 40 FJAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COCC(C)C 224737793 UXOSMUGPHZYXHC-UHFFFAOYSA-N 363.404 4.788 0 40 FJAB CC1(c2nc3ccccc3s2)CCN(Cc2cn3ccsc3n2)CC1 511120200 BVKAIIZLSQTMSO-UHFFFAOYSA-N 368.531 4.559 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c(C)c1 683070 PKBIQNMIYYROTL-SFHVURJKSA-N 373.452 4.940 0 40 FJAB Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@@H]3CC[C@H](C2)N3C)c1 1198895 KVPMZTMVCZWXSC-XZOQPEGZSA-N 374.528 4.739 0 40 FJAB O[C@@H](c1ccc(Br)cc1)[C@@H](CN1CCCCC1)c1ccccc1 1241350 QRMKWWYZRHOYBC-PMACEKPBSA-N 374.322 4.752 0 40 FJAB O=C1C[C@H](c2ccc(Cl)cc2)Sc2nc(-c3ccc(F)cc3)nn21 2328746 AIIXAUZCKBKPCP-CQSZACIVSA-N 359.813 4.615 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCc4ccccc43)cc12 2406523 RWDQSSMURALEQP-UHFFFAOYSA-N 373.481 4.988 0 40 FJAB CCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cccc(C)c3nc21 2423465 JWADLEZAPGLXBF-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB CCCCN(CCCC)Cc1cn2c(-c3ccc(OC)cc3)nnc2s1 2724091 FHNYJZOTBFTOCK-UHFFFAOYSA-N 372.538 4.869 0 40 FJAB Cc1ccc(F)c(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)c1 2796522 IVNJXUHMULUZML-UHFFFAOYSA-N 373.815 4.581 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(CC)cc1 2963394 AITNBRZIZQFNSI-UTKZUKDTSA-N 368.502 4.582 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc1 3561894 WTNZXMXJPCALIJ-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB CCCCCCOc1ccc([C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1 4241141 OGHSVGHAMOMRJD-KRWDZBQOSA-N 365.470 4.686 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 4479443 VIDCFQSQPOJDHD-UHFFFAOYSA-N 365.433 4.785 0 40 FJAB CSc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1 4585614 APXVVIRSCUBWTP-DHZHZOJOSA-N 371.849 4.764 0 40 FJAB Clc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 5954788 RKSVAMZXEHUASG-UHFFFAOYSA-N 370.909 4.974 0 40 FJAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ncccn2)cs1 6910645 MYHYEPJYPGTZKD-UHFFFAOYSA-N 370.503 4.527 0 40 FJAB CCC(C)(C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 7345854 UHXVTEYMLAJACD-UHFFFAOYSA-N 359.470 4.512 0 40 FJAB O=C(NC1CCCCC1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 8813329 MTTSMCYDCFCCAB-LJQANCHMSA-N 365.502 4.845 0 40 FJAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9136337 SXTGEXMAPDRBHS-UHFFFAOYSA-N 350.462 4.541 0 40 FJAB COc1cccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)c1 12631762 CGZMAGJYQAYAHD-CYBMUJFWSA-N 367.474 4.566 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1Cl 13002196 MNMRZDWPOQOJEU-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2cn3ccccc3n2)c1 13568845 ITDIAFXCMVWEDO-UHFFFAOYSA-N 366.424 4.664 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(C)cc1 13646069 ZAFLHKZUIPJYHP-KRWDZBQOSA-N 357.519 4.623 0 40 FJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1Cl 14071318 PKAOGPWMHALSFO-UHFFFAOYSA-N 369.877 4.773 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(Br)s2)c1 14601819 IEQZFTHKPSFFNU-UHFFFAOYSA-N 370.268 4.560 0 40 FJAB O[C@H](CNCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 16477502 JBZYEXFQESNUTN-JOCHJYFZSA-N 367.876 4.742 0 40 FJAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@@H](C)O3)nc1 19215512 HROFPFRIHGCVTD-IERDGZPVSA-N 364.514 4.849 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 20038698 MVLGYNQIOSQFLJ-XLIONFOSSA-N 355.478 4.737 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)c1 21579036 HIKNSBRZMASONH-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB O=C(N1CCC(c2nc3ccccc3o2)CC1)C12CC3CC(CC(C3)C1)C2 22322814 SYZBRWGZHFMBGR-UHFFFAOYSA-N 364.489 4.750 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 23499207 KCTDEIHVFKYHQK-NSHDSACASA-N 354.281 4.645 0 40 FJAB CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl 36390731 ALTGHUYELBLXFU-UHFFFAOYSA-N 372.646 4.983 0 40 FJAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(OCc2ccccn2)cc1 40268042 SSCBYQPJWPVHDZ-ODLFYWEKSA-N 362.816 4.807 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1C 44903730 ZHCHLJHXTKZJKM-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB CCOc1ccccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 64893313 YGYKBACADYZEGS-UHFFFAOYSA-N 354.397 4.591 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349621 QHDZPDKITFEWTM-KRWDZBQOSA-N 352.453 4.784 0 40 FJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72353830 HFXKWDUJWBZUKW-LJQANCHMSA-N 370.924 4.996 0 40 FJAB C[C@@H]1Sc2ccccc2N(C(=O)c2cnc(-c3ccco3)s2)[C@H]1C 75106184 KVROZQHNZUXEKZ-RYUDHWBXSA-N 356.472 4.933 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 78459047 POYGBWKJCYHRCP-SJORKVTESA-N 355.478 4.772 0 40 FJAB CC(C)c1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 95067941 CILXQSFEHSQVER-UHFFFAOYSA-N 372.259 4.512 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(F)(F)F 96586393 ODRSACDOFPBXMX-ZDUSSCGKSA-N 363.379 4.990 0 40 FJAB CCc1ccc(O)c(C(=O)[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)c1 100684218 BBOLQWDXKSUVQF-QFIPXVFZSA-N 371.436 4.847 0 40 FJAB CSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(O)CCCC1=N2 102659839 YNHLCLXZQIHVNX-KRWDZBQOSA-N 354.479 4.795 0 40 FJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCc1ccccc1 102721050 MILMLVLFAJFSNR-UHFFFAOYSA-N 361.470 4.615 0 40 FJAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C)c(C)c1 224314196 VBQJEMQGMBPWFK-QFIPXVFZSA-N 351.490 4.829 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)c1 225094345 JDQKBLLTHXVODE-MRXNPFEDSA-N 359.897 4.898 0 40 FJAB Nc1c(-c2ccccc2F)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225179285 MMPPZCBQVGAUEO-UHFFFAOYSA-N 355.722 4.933 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 225315416 NBOYPLMMYDQXEX-NRFANRHFSA-N 355.478 4.540 0 40 FJAB CCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225866539 AXMSQFDWNRRANF-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CSCCN 253596372 QNALNJDVSSJNFL-UNHJQWNMSA-N 365.627 4.842 0 40 FJAB Fc1ccccc1CN1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306140979 VICVUOPPEMAFEN-NRFANRHFSA-N 372.447 4.873 0 40 FJAB Cc1ccc(NC(=O)N(C)C)cc1NCc1ccsc1C(F)(F)F 527703478 PHGDTUPWLSCJMP-UHFFFAOYSA-N 357.401 4.781 0 40 FJAB C[C@@H](NC(=O)NCC1(C)CCCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 1225094166 KSUGTCUQTQPGOR-TZIWHRDSSA-N 371.569 4.557 0 40 FJAB Cc1ccccc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501040250 IJASMAACZASBTP-UHFFFAOYSA-N 352.488 4.595 0 40 FJAB CC1(C)C[C@@H]2CN(Cc3c(F)cccc3F)CC[C@@H]2N1c1cccc(F)c1 1615126146 IQRSBIPZFXHKOU-VFNWGFHPSA-N 374.450 4.983 0 40 FJAB CCCCOc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 2296286 DFNAFONHZUBSRS-UHFFFAOYSA-N 357.479 4.578 0 40 FJAB CCOc1ccc(-c2nc(NC(=O)Cc3ccccc3)sc2C)cc1 2639699 SHQILQPGPQRSAH-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB COc1ccccc1NC(=O)c1ccc(COc2cc(C)ccc2C)o1 2763924 LFWWPDUTDMQVQB-UHFFFAOYSA-N 351.402 4.736 0 40 FJAB Cc1ccc(Cc2cnc(NC(=O)CNc3c(C)cccc3C)s2)cc1 2887795 RQWURBWNPPQLRA-UHFFFAOYSA-N 365.502 4.710 0 40 FJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCc2ccccc21 3252369 ATBNPULPMRYGRP-UHFFFAOYSA-N 356.636 4.615 0 40 FJAB Cc1c(C(=O)OCc2ccc(Br)cc2F)oc2ccccc12 3284023 RUDZKHUZYDYECZ-UHFFFAOYSA-N 363.182 5.000 0 40 FJAB C[C@@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 5512386 SAKLDYPZJCVFRT-KRWDZBQOSA-N 374.488 4.804 0 40 FJAB COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3Cl)ccc2c1 7926566 YYTHJCOJESAWSE-UHFFFAOYSA-N 368.864 4.572 0 40 FJAB Cc1cc(C(=O)CCC(=O)N[C@H]2CCSc3ccccc32)c(C)s1 7991094 MKSHOVSNSZHXOA-INIZCTEOSA-N 359.516 4.681 0 40 FJAB CCc1sc(-c2nnc(CSc3nnc(-c4ccco4)o3)o2)cc1C 8190557 RIRJTKXWWJWRHD-UHFFFAOYSA-N 374.447 4.604 0 40 FJAB CN(Cc1ccc2ccccc2c1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8231777 FCZVYOZVWPLOHF-FMIVXFBMSA-N 373.452 4.673 0 40 FJAB Cc1cccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1C 8280991 LIIYEHJGQCWRKR-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB Cc1cc(CSc2nnc(Nc3cccc(Cl)c3C)s2)on1 8353752 PVVCYDQPTAEBRV-UHFFFAOYSA-N 352.872 4.832 0 40 FJAB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c(C)c1 8368501 LDPWPYAFRYKOCV-DNTJNYDQSA-N 352.217 4.824 0 40 FJAB COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccccc1F 8495689 WRMIAVCOFONIAT-UHFFFAOYSA-N 369.411 4.842 0 40 FJAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2ccccc12 9190271 WSPFTPZXEZVKPC-UHFFFAOYSA-N 366.848 4.582 0 40 FJAB CCOc1cc2c(cc1NC(=O)COc1ccc(C(C)C)cc1)O[C@H](C)C2 10905024 ZNGBRGSPNLEJHE-OAHLLOKOSA-N 369.461 4.550 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2o1 12753370 ZYFKOVJTYHLZMS-SNVBAGLBSA-N 363.339 4.594 0 40 FJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)cc1 13776108 UVOCKBWJADXADZ-YTFSRNRJSA-N 369.480 4.703 0 40 FJAB COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 14014722 YGKHFIIKFKEVAB-DXRVJIQQSA-N 364.470 4.682 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Oc1ccc(NC(=O)c2ccccc2)cc1 14631379 OKWPYGOZYISUNE-UHFFFAOYSA-N 370.408 4.568 0 40 FJAB CCOc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 15389760 HKLHRWPOGYUQBD-UHFFFAOYSA-N 369.424 4.948 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 16310806 AVOJDJISVBJGCR-KRWDZBQOSA-N 359.560 4.834 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)C1CCCCC1 17178232 OPOWHPYYXZPFMY-UHFFFAOYSA-N 362.473 4.798 0 40 FJAB Cc1ccc(NC(=O)c2cc3cc(F)ccc3nc2C)c(-c2cc(C)n[nH]2)c1 19718318 FQMISSPKSXQWPN-UHFFFAOYSA-N 374.419 4.942 0 40 FJAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NC1CCCC1 23136579 AWJGKJOSAGFHPG-UHFFFAOYSA-N 369.412 4.507 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 27222094 PFQPZQQMPNYYSL-UHFFFAOYSA-N 370.518 4.598 0 40 FJAB COc1ccc(F)cc1C(=O)CSc1nc2ccccc2n1C(F)F 31782086 BATYYZIXZGVMNC-UHFFFAOYSA-N 366.364 4.554 0 40 FJAB CCN(Cc1ccc(Cl)s1)Cn1ncn(-c2ccccc2)c1=S 32509217 XTALAELHRMXWRZ-UHFFFAOYSA-N 364.927 4.598 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1)c1cccs1 32970913 XGNYQLIWMGGXIP-GOSISDBHSA-N 366.486 4.573 0 40 FJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)c(F)c1 40152295 ZWSGBHGZARFGSK-LJQANCHMSA-N 364.424 4.689 0 40 FJAB CCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 44105817 MJFSEXROLGWXRK-ZDUSSCGKSA-N 351.406 4.664 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 44842791 QSEOXPRUDJLELA-LJQANCHMSA-N 373.424 4.579 0 40 FJAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 44933991 VMPBYCBCKDQCOV-MAUKXSAKSA-N 374.887 4.569 0 40 FJAB CCCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2cc(C)ccc21 64963692 BARXAQRMUPAIQP-UHFFFAOYSA-N 359.429 4.745 0 40 FJAB O=C(c1cccc(Cl)c1)N1CCC(COCc2ccc(F)cc2)CC1 75156563 CRLZUGMZFQFFKV-UHFFFAOYSA-N 361.844 4.548 0 40 FJAB CCC(=O)N(c1ccccc1)C1CCC(O)(CCc2ccccc2)CC1 96509983 ZSRXXULLCNOYBV-UHFFFAOYSA-N 351.490 4.736 0 40 FJAB COc1cccc2cc(-c3nnc(Cc4ccc(Cl)cc4)o3)c(C)nc12 216616688 DRRLPIRHLCILIH-UHFFFAOYSA-N 365.820 4.846 0 40 FJAB COc1ccccc1CCCNC(=O)c1ccccc1CCc1ccccc1 219002364 OJXVGRBQXLDJLP-UHFFFAOYSA-N 373.496 4.843 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1C 219313086 VRHDEAAVHDIEME-FQEVSTJZSA-N 369.505 4.690 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccc2ccccc2c1 224309389 CGVWIEJHRDMIBQ-UHFFFAOYSA-N 363.457 4.813 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225367354 KDBSHTVQROKFMD-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)cc(Br)c1O 226242715 POMFIAJBYVJPCT-UHFFFAOYSA-N 364.239 4.503 0 40 FJAB Cc1cc2nn(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2cc1N 226305373 LEJDJCVGFIDAHR-UHFFFAOYSA-N 358.489 4.779 0 40 FJAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cc2ccccc2nc1Cl 226797757 TVGQSNCLZYMZNZ-KRWDZBQOSA-N 355.850 4.647 0 40 FJAB O=C(N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1cnn2c1CCCC2 1140567867 TXSRJJICRQGXAB-MJGOQNOKSA-N 371.912 4.719 0 40 FJAB O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-n1cccc1 1524890001 KZWRCLAGGIIDRP-GJZGRUSLSA-N 350.384 4.576 0 40 FJAB CCCn1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O 3354327 MHHUJGJVLPATPN-UHFFFAOYSA-N 367.499 4.709 0 40 FJAB Cc1ccccc1CSC1=NCCN1C(=O)c1c(F)cccc1Cl 4120028 AVXCXBFJGMBKPH-UHFFFAOYSA-N 362.857 4.533 0 40 FJAB COc1ccc(-c2nnc(SCCCC(=O)c3cccs3)o2)cc1 4288415 IVVJZLBEXPOBEE-UHFFFAOYSA-N 360.460 4.562 0 40 FJAB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816514 YCIBJLVTTVFHKY-NHCUHLMSSA-N 374.488 4.700 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccccc1NC(=O)/C=C/c1ccccc1 5584550 BEWNDYSWDFCDKP-YTEMWHBBSA-N 368.436 4.990 0 40 FJAB N=C1NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)S1 5650284 KNPBKXPVNQRXOH-XDHOZWIPSA-N 360.438 4.557 0 40 FJAB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccccc2C)cc1 6438690 HVYULDHCRZXDBV-UHFFFAOYSA-N 363.457 4.868 0 40 FJAB Cc1ccc(NC(=O)c2ccc(CSc3ncccn3)cc2)cc1Cl 6478145 KYFWZZPJMNPDRF-UHFFFAOYSA-N 369.877 4.983 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1ccccc1OCCOc1ccccc1 6945124 TZAHXTRVNPTTOV-UHFFFAOYSA-N 365.404 4.844 0 40 FJAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 7224545 TWZUXZVTFSACCH-INIZCTEOSA-N 373.456 4.751 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)cs1 8077782 XVNHKXNNQQDMCC-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8492329 PTGUMZZVCRDIDJ-UHFFFAOYSA-N 370.518 4.969 0 40 FJAB Cc1c(C(=O)CSc2nnc(-c3ccco3)o2)sc2ccccc12 9365199 QFUIJQFOKNMVHT-UHFFFAOYSA-N 356.428 4.828 0 40 FJAB Clc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 9518705 CEPKJCFXVVONNC-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(C(=O)N1CCCCC1)c1ccccc1 10254466 LLAIZQFBYFCOSR-UHFFFAOYSA-N 372.852 4.601 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(SC[C@H](O)c4ccccc4)c23)C1 11530650 KKNOWBPAAANZOS-DOMZBBRYSA-N 356.516 4.642 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cc2ccccc2o1 12763321 SOZMKBDSEIYYES-QGZVFWFLSA-N 362.473 4.910 0 40 FJAB CCn1c(C)cc(-c2csc(CS(=O)(=O)c3ccc(C)cc3)n2)c1C 13005073 LZOYMLQKKYPVHW-UHFFFAOYSA-N 374.531 4.531 0 40 FJAB CC(C)OCCCn1c(-c2ccc(Br)cc2)c[nH]c1=S 13135529 OBEZPQOXWFRTMX-UHFFFAOYSA-N 355.301 4.790 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 15583730 ROROUSDIYYYHNF-AWEZNQCLSA-N 365.429 4.608 0 40 FJAB Clc1cccc(-c2noc(COc3ccccc3Br)n2)c1 16047359 QVAOBNRBKCRNFN-UHFFFAOYSA-N 365.614 4.732 0 40 FJAB CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2C1 18149155 PEGYIINVXXJBEM-RYUDHWBXSA-N 357.759 4.595 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccc(C)cc1 20110899 VIUOQYXUHXBLEX-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB FC(F)(F)[C@@H]1CCCN(Cn2nc(Nc3ccccc3)sc2=S)C1 24001907 QBDVTBQYOYSKOI-LLVKDONJSA-N 374.457 4.649 0 40 FJAB Cc1cc(NC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)no1 30514551 ZIDMSXFTFOGWFT-KRWDZBQOSA-N 360.385 4.733 0 40 FJAB C[C@H]1c2cc(Cl)ccc2O[C@@H]2c3ccc(Br)cc3C(=O)N12 35324819 ZMEWLWRKVJSCKJ-ZKANADHPSA-N 364.626 4.711 0 40 FJAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccccc2Br)cc1 36632680 KIIDGYNEHFXESQ-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)cc1OC 40105461 WZFZIXVRDMGBEV-GOSISDBHSA-N 364.445 4.696 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1 51315507 YOVQXLXPCJVGLX-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB CC(C)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1)C(C)C 72212964 NSDSGTSJZHMRLH-HXUWFJFHSA-N 351.494 4.682 0 40 FJAB CN(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214196 FYZHCGHZEAECMQ-SFHVURJKSA-N 353.466 4.922 0 40 FJAB C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)Cc1cccc2ccccc12 75093501 VXBYHEKAYKTXOL-AWEZNQCLSA-N 357.475 4.801 0 40 FJAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)c1cccs1 85471491 OQYJCBYWHYFORC-UHFFFAOYSA-N 357.504 4.718 0 40 FJAB O=C(c1cc(Br)cs1)N1CCC(c2ccsc2)CC1 96120611 SWSWVROGFGATFX-UHFFFAOYSA-N 356.310 4.592 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)COc2ccccc2C(C)C)c1 222810241 LJHJSYPBACRJRW-UHFFFAOYSA-N 369.505 4.725 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223718431 JGBDBAGVEHYBQK-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CCCCNC(=O)c1ccc(OCC)c(COc2cc(C)cc(C)c2)c1 224528849 JUVRDFDWIDFFSY-UHFFFAOYSA-N 355.478 4.811 0 40 FJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 224672253 JYMFOEBJSSNGEQ-UHFFFAOYSA-N 363.788 4.574 0 40 FJAB Cc1ccc(CCCNC(=S)Nc2cccc(Br)c2)cc1 225386780 GCKPOMTVGUYFTE-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OC)c(F)c2)c2ccccc2O1 225387588 YHQRRLHMFXHGQQ-QGZVFWFLSA-N 357.425 4.647 0 40 FJAB CCOc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 225672997 JXXLMSFUGFLXMN-QGZVFWFLSA-N 370.518 4.983 0 40 FJAB COc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c(OC)c1 225760277 GGMGLNHICHZXFO-LJQANCHMSA-N 358.507 4.696 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1C 225761056 WVSQFSUUFXDTKV-LJQANCHMSA-N 370.518 4.774 0 40 FJAB O=C(CCSc1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 675007635 CIIAAUCOZAEQDK-KRWDZBQOSA-N 357.500 4.772 0 40 FJAB FC(F)(F)c1ccn(-c2ccc(NCc3ccncc3Cl)cc2)n1 1620957575 KWJGGVZHCDEXBR-UHFFFAOYSA-N 352.747 4.552 0 40 FJAB CCc1nocc1CN(C)c1ncnc2scc(-c3cccs3)c12 1639949267 DYGXIIFGJBJDBQ-UHFFFAOYSA-N 356.476 4.607 0 40 FJAB O=C(NCc1cc(-c2ccoc2)cs1)c1cc(Br)cs1 1775969678 GEPFBRZKBQMTBS-UHFFFAOYSA-N 368.277 4.762 0 40 FJAB Clc1ccc(COc2ccc(-c3ccnc4ncnn34)cc2)c(Cl)c1 1383692 FIDDWTJPJIJUNF-UHFFFAOYSA-N 371.227 4.677 0 40 FJAB CN(CCC(=O)c1ccc(Cl)cc1)CCC(=O)c1ccc(Cl)cc1 1584653 PIQDLRQKELRXDC-UHFFFAOYSA-N 364.272 4.771 0 40 FJAB CCn1c(Cc2ccccc2)nnc1SCCOc1ccccc1Cl 2128463 OJTCSYCAKCILBZ-UHFFFAOYSA-N 373.909 4.713 0 40 FJAB Cc1nnc(SCC(=O)c2ccc3ccccc3c2)n1Cc1ccccc1 2643456 DRRWKEOAWJUHGY-UHFFFAOYSA-N 373.481 4.763 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCOc1ccc(F)cc1 3094700 YJRBXWKKLQIJBK-OVCLIPMQSA-N 361.416 4.701 0 40 FJAB biogenic CCOC(=O)c1c(NC(=O)OCc2ccccc2)sc2c1CC[C@H](C)C2 3245423 XCTJCKHFKASOGE-ZDUSSCGKSA-N 373.474 4.798 0 40 FJAB C[C@H](NC(=O)COC(=O)c1sc2ccccc2c1Cl)c1ccccc1 3448071 CKTZVVJCOYBAQE-LBPRGKRZSA-N 373.861 4.589 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1C 4854371 JXKXVWFVHCBDGX-OAQYLSRUSA-N 363.436 4.881 0 40 FJAB Cc1ccc(N[C@@H](c2ccccc2)c2nnnn2-c2c(C)cccc2C)cc1 5363268 YIDFJHQEYBCWAE-NRFANRHFSA-N 369.472 4.789 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 5400988 RWOXTXYOYMHQFH-GFCCVEGCSA-N 366.490 4.644 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 5443820 NXTXHENIMIBYMV-SCUMNGBJSA-N 364.489 4.985 0 40 FJAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 5981292 ANAKEVFJHRLCJU-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB COc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1C 6087493 IUHXUXILHPHKDM-UHFFFAOYSA-N 361.470 4.936 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1c[nH]nc1-c1cc2ccccc2o1 6314533 KQFZPJDDIHZUFJ-NKSUMMKUSA-N 369.424 4.814 0 40 FJAB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1 6333609 XWDAZPYWXYDHSZ-HMAPJEAMSA-N 369.468 4.626 0 40 FJAB Fc1ccccc1NC1=NN=C(c2ccc(Br)cc2)CS1 6784432 VZGUOFKKSOGPOG-UHFFFAOYSA-N 364.243 4.507 0 40 FJAB CCOc1ccc(Nc2nc(-c3cccs3)c(CC(=O)O)s2)cc1 6822666 JBCAJZYCCPAJHX-UHFFFAOYSA-N 360.460 4.641 0 40 FJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(OC[C@H]2CCCO2)cc1 8722838 NSJQOKYQMRYSNR-VWGXWWAPSA-N 357.837 4.550 0 40 FJAB O=C(NC1CC1)[C@H](Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 10844400 HDPAKJZTGQJWDM-GOSISDBHSA-N 368.433 4.593 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)c1c[nH]c2ccc(Br)cc12 10922233 FWPVEIZREUIDNB-UHFFFAOYSA-N 355.235 4.671 0 40 FJAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(Cl)c1Cl 10995086 JWJBDRKIKNDLIP-UHFFFAOYSA-N 360.240 4.955 0 40 FJAB C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 14114905 YAEIILVWOUDZAW-MRXNPFEDSA-N 360.486 4.847 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1OC(F)F 15360951 LTPPMPHCOPKRAF-LLVKDONJSA-N 355.768 4.656 0 40 FJAB COC[C@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(OC)cc1 16045097 UWAUPHCTVDSRDL-CEGCDYRFSA-N 372.465 4.804 0 40 FJAB COc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 17120958 JAIGIURVRIOOLY-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 20096519 AHLGPKQGRGBSHY-UHFFFAOYSA-N 351.446 4.702 0 40 FJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1 24734136 IJARJVHIIIZOFJ-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Nc1nc(CSc2ccc(F)cc2F)nc2sc3c(c12)CCCC3 32842618 RTBPPLRVLORBPA-UHFFFAOYSA-N 363.458 4.723 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 35170646 HRJHKUBZHDFIES-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1C(F)(F)F 41450307 NMJKQKISMZTUSO-UHFFFAOYSA-N 358.703 4.732 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)CCCOc2ccccc2)cc1 44904115 ICEBLAZGMQOMNC-NRFANRHFSA-N 355.478 4.758 0 40 FJAB COc1cccc(C[C@@H]2CCCN2Cc2coc(-c3cccs3)n2)c1 48290923 BILMVKJJVDYTNW-KRWDZBQOSA-N 354.475 4.619 0 40 FJAB O=C(Nc1nc(-c2ccccc2)ns1)C1(c2cccc(Cl)c2)CCC1 58367937 KAOWICNDBQSDHA-UHFFFAOYSA-N 369.877 4.919 0 40 FJAB O=C(CSC1=NC2(CCCC2)Nc2ccccc21)Nc1ccc(F)cc1 67341712 UTRGEWGZZJZCMZ-UHFFFAOYSA-N 369.465 4.640 0 40 FJAB O=C(Nc1nc2ncc(C(F)(F)F)cc2s1)c1ccc(Cl)cc1 71789073 CEAWTNZHLOBZLY-UHFFFAOYSA-N 357.744 4.616 0 40 FJAB O=C(N[C@@H]1CCc2c(O)cccc21)c1[nH]c2ccc(Cl)cc2c1Cl 74141891 CWWFQIDBCXVMEL-CYBMUJFWSA-N 361.228 4.598 0 40 FJAB Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@@H]1Cc1ccccc1 84086184 YVGNFUYQBMPRQZ-LJQANCHMSA-N 351.494 4.608 0 40 FJAB O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1Oc1cccnc1 89811927 MBXJKLKTVIZHKF-UHFFFAOYSA-N 356.385 4.516 0 40 FJAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 100750201 LARSFAQXRPZVNA-MZKRTTBSSA-N 371.569 4.577 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2)C[C@@H](c2ccco2)C1 102565492 SDRBOROKOIYCSY-XIKOKIGWSA-N 366.808 4.590 0 40 FJAB C[C@]12CC[C@H]3[C@@H](C=C[C@@]45C[C@@H](O)CC[C@]34C5)[C@@H]1CC[C@H]2O[C@H]1CCCCO1 118936530 YUSLPTILBDKHTK-KSVYWVJLSA-N 372.549 4.832 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1Cl 219059536 AUPJAWIUHRITBS-RHSMWYFYSA-N 373.880 4.834 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N)c1 226348112 RTAYFUNJLZYQKV-UHFFFAOYSA-N 356.809 4.833 0 40 FJAB CC(C)n1ccc(-c2nc(C(=O)NC3CCCCCC3)c3ccccn23)c1 306126211 DPQMELPARLNLFL-UHFFFAOYSA-N 364.493 4.836 0 40 FJAB CCCC[C@H](CC)C(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 2069859 YASOPXRZAVLSHS-INIZCTEOSA-N 353.466 4.797 0 40 FJAB CC1(C)C[C@H]([C@@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 2250218 GWHQVUJDGHPJKS-MSOLQXFVSA-N 357.519 4.857 0 40 FJAB CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Cl)cc1 2260698 DBAIEZHTXGIVSC-UHFFFAOYSA-N 354.789 4.550 0 40 FJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCc3ccco3)cc12 2418836 LGFDROJYFXFSGW-UHFFFAOYSA-N 371.849 4.572 0 40 FJAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1 3259436 HTYMPSQBLBCVNZ-UHFFFAOYSA-N 361.369 4.558 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033603 VIQWEJAAOBGEIH-OAHLLOKOSA-N 365.502 4.689 0 40 FJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc(Cl)c1 4406947 XHDDQXHJLSOWFK-UHFFFAOYSA-N 352.246 4.601 0 40 FJAB O=S(=O)(c1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 4603719 IDYJZNANSODMQS-UHFFFAOYSA-N 357.431 4.817 0 40 FJAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)oc2ccc(Cl)cc12 5451190 DWXOOLPVZQPZHK-MRXNPFEDSA-N 372.852 4.555 0 40 FJAB S=C(NCc1ccccc1)NNc1c(Cl)cc(Cl)cc1Cl 5603915 ZWWIEJDULSJDMY-UHFFFAOYSA-N 360.697 4.638 0 40 FJAB Brc1ccc(-c2csc3nc(-c4ccccc4)nn23)cc1 5604599 ILGBAVCFAOJOCV-UHFFFAOYSA-N 356.248 4.887 0 40 FJAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 5954051 OXWGWSNSZDGUQM-KBXCAEBGSA-N 374.868 4.620 0 40 FJAB Cc1ccc(C)c(NC(=O)c2ccccc2OCc2csc(C)n2)c1 7917837 DOBNKWLNMRFLKF-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB O=C(CSc1nncs1)c1c(-c2ccccc2)[nH]c2ccccc12 8518807 JIJLQCPXJLDRKI-UHFFFAOYSA-N 351.456 4.661 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccc2ccccc2c1 8707826 HHZSFENIDHOIIJ-MRXNPFEDSA-N 351.471 4.516 0 40 FJAB O=C(c1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 9988504 MORPWNXZWUZHMP-UHFFFAOYSA-N 367.832 4.821 0 40 FJAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C(F)(F)F 12638518 YDBDZIUADZQSAP-SNVBAGLBSA-N 357.763 4.501 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(C)c1 12929381 XYYARBXSYSWLHP-UHFFFAOYSA-N 363.457 4.906 0 40 FJAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc(Cl)c1OC(C)C 13041007 VLLLHSXRKITKLV-GOSISDBHSA-N 373.880 4.943 0 40 FJAB CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(OC)c(OC)c1 14083420 XELJQBBZXUHXCK-UHFFFAOYSA-N 369.490 4.583 0 40 FJAB Cc1ccccc1[C@]1(O)c2cccc3cccc(c23)[C@]1(O)c1ccccc1C 17379591 GWOCXNRRZOGZJA-WMPKNSHKSA-N 366.460 4.942 0 40 FJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H]1CCOc2ccccc21 19666693 WJNASOMQYFKEAE-MRXNPFEDSA-N 368.820 4.557 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCC(Cc2ccccc2)CC1 20462170 OLGPPFWQZPQNKE-JOCHJYFZSA-N 365.517 4.942 0 40 FJAB C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1cccnc1 22692829 PYKNSOPGHRUKTE-HNNXBMFYSA-N 366.848 4.658 0 40 FJAB Cc1nc2cc(C(=O)N(C)Cc3ccccc3F)ccc2n1-c1ccccc1 23483956 OBASVBMWYGTQMQ-UHFFFAOYSA-N 373.431 4.745 0 40 FJAB CC(C)SCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 24896211 RADPMYVOOVNDKB-UHFFFAOYSA-N 360.426 4.909 0 40 FJAB C[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)c1c[nH]c2ccccc12 32608664 NRUVENSQFPKLJA-SNVBAGLBSA-N 360.508 4.593 0 40 FJAB O[C@H](CN(Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(Cl)cc1 40050453 JVVAIRMZLDCYIU-LJQANCHMSA-N 373.880 4.547 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 40141275 HJMHDMRIWJIJLN-LAUBAEHRSA-N 362.498 4.609 0 40 FJAB Cc1ccc(C)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 41077029 ADDWIFIJRYMSMN-UHFFFAOYSA-N 363.461 4.587 0 40 FJAB Cc1cccc(OCc2nnc(SCc3cccc4cccnc34)o2)c1 54149141 MABKOTVCTAUNHY-UHFFFAOYSA-N 363.442 4.798 0 40 FJAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(n2cccc2)CC1 58427092 KLGVCFZDXHUOFH-UHFFFAOYSA-N 366.436 4.684 0 40 FJAB Cc1ccccc1CN(Cc1cccnc1)C(=O)CCc1ccc(F)cc1 62580667 YZABXZRVHQAIAM-UHFFFAOYSA-N 362.448 4.691 0 40 FJAB Cc1cc(NC(=S)Nc2ccc(Br)cc2F)ccc1F 71326148 XJZJFLVKNCZDFR-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB Cc1nc(NC2CCCCC2)sc1C(=O)N[C@@H]1CCc2ccccc21 71326723 XFTBYPKFSQGSHX-QGZVFWFLSA-N 355.507 4.613 0 40 FJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1 71844229 OIOIIDGGHNRQAP-UNMCSNQZSA-N 364.489 4.752 0 40 FJAB O=C(CCc1ccccc1F)NCCc1nc(C2CCCCC2)cs1 72275265 QWHDXSKDARTIGE-UHFFFAOYSA-N 360.498 4.621 0 40 FJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2c(F)cccc2Cl)C1 72402817 FZMMZRXUOPKIEW-NSHDSACASA-N 361.829 4.909 0 40 FJAB CC(C)(C)c1ncsc1NC(=O)COc1cc(Cl)ccc1Cl 75094345 PADCIQVARVUYRH-UHFFFAOYSA-N 359.278 4.765 0 40 FJAB O=C(N[C@H](SCc1ccccc1)C(=O)c1cccs1)c1ccccc1 96346703 KAVQFCSLYIMAHU-HXUWFJFHSA-N 367.495 4.620 0 40 FJAB CN(C)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 96767631 NVBKHCDSULKNKR-SQFISAMPSA-N 352.459 4.768 0 40 FJAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104107218 DLWXGTJVRQFBPX-PGSNGQOISA-N 372.559 4.990 0 40 FJAB Cn1c([C@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21 106148657 RUGSSFZLHUQEQD-NRAANUMRSA-N 373.500 4.605 0 40 FJAB CCN(Cc1nc2ccccc2s1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106928375 FGWKVWAHBHICAB-MJGOQNOKSA-N 365.546 4.954 0 40 FJAB CCCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 224480482 IKOXAVWLXBCNHD-SECBINFHSA-N 373.956 4.813 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2cccc(C)c2)c2ccccc2O1 224907535 RFAWAQLHGBVLKD-LJQANCHMSA-N 353.462 4.573 0 40 FJAB O=C(NCc1ccccc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265242 GXAGQGOFFCDQFV-UHFFFAOYSA-N 361.832 4.813 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(=O)O)[C@@]4(C)CC[C@@H]32)C1 253499532 WVHKCBDRQIXZLC-VQZJJIPLSA-N 360.494 4.582 0 40 FJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Cl 409012350 JGADIZZBUQFCQE-PDICVPPASA-N 353.871 4.962 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccc(Br)cc1Br 682585 ASGWWXQUTIQIRG-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB CCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 844611 HNPXEKAXUIALNQ-HRAATJIYSA-N 350.462 4.706 0 40 FJAB COc1cccc(-c2nc3ccccn3c2NC2CCCCC2)c1OC 881948 KFOGSSGGYQRJGX-UHFFFAOYSA-N 351.450 4.763 0 40 FJAB COc1ccc(-n2cnc3cc(NC(=O)c4cccc(C)c4)ccc32)cc1 1247347 YVJUKQJDCBHUTA-UHFFFAOYSA-N 357.413 4.595 0 40 FJAB CCC(=O)Nc1ccccc1SCC(=O)Nc1ccc(C)c(Cl)c1 1332337 GFIYPXGGRZHCPY-UHFFFAOYSA-N 362.882 4.728 0 40 FJAB CC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2nc1Cl 1367687 WRCBJAZJSBOGTL-UHFFFAOYSA-N 352.865 4.788 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1 1426247 ZPKAXBYULUTWRG-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB COC(=O)c1cc(-c2ccc3cc(OC)c(OC)cc3c2)nc2ccccc12 1722631 SLBADLHLHBOGSF-UHFFFAOYSA-N 373.408 4.859 0 40 FJAB Cc1ccc2c(CN3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1C 2402626 FBMUARULLHYGJC-UHFFFAOYSA-N 361.485 4.865 0 40 FJAB Clc1ccc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)cc1 2428957 UOSXUSMQIUICKK-UHFFFAOYSA-N 365.820 4.533 0 40 FJAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccc3c(c2)OCO3)C1(C)C 2484930 VYMWBXBZMKCLPE-PMACEKPBSA-N 353.418 4.521 0 40 FJAB Cc1ccc(CN(C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1 2620753 QREKXVSSVPTDKW-UHFFFAOYSA-N 358.485 4.656 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1C 2741572 DYVWCMFIRTZOIL-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C)C2)cc1Cl 3303529 VVLRHHWLHILNTA-MGPUTAFESA-N 372.896 4.760 0 40 FJAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1C1CCCCC1 3325527 PVOYEHVTYUFHDD-UHFFFAOYSA-N 368.506 4.628 0 40 FJAB Cc1ccc(-c2cc3nc(S)n(Cc4ccccc4)c(=O)c3s2)cc1 3885781 OFLMHAZXXUAFGS-UHFFFAOYSA-N 364.495 4.770 0 40 FJAB COc1ccccc1-c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)o1 4275994 FPFDJLWHINHUAZ-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CC(C)(C)c1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)cc1 4329835 RRGYATJZCQVQFU-NRFANRHFSA-N 374.488 4.818 0 40 FJAB CC(C)(C)c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 4711320 AOARMQZJHJBXMK-UHFFFAOYSA-N 356.510 4.621 0 40 FJAB COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 4715762 YFLQYSZRAXUPMR-UTKZUKDTSA-N 364.376 4.670 0 40 FJAB O=C(Nc1sc2c(c1CN1CCCC1)CCCC2)c1ccccc1F 4748605 DNYQLLVXWMNPKY-UHFFFAOYSA-N 358.482 4.614 0 40 FJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(Br)cc2)c1 6402695 ZQUKSRZSIPMKMQ-UHFFFAOYSA-N 360.251 4.668 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc2ccc(C)cc2nc1Cl 6450515 FFYKQCKBJNLKRV-KRWDZBQOSA-N 369.877 4.956 0 40 FJAB COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(Cl)cc3)s2)cc1 6764612 CNMIZRMITQEOFJ-UHFFFAOYSA-N 372.877 4.711 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 9134499 NJZKNAQDTYIVPO-UHFFFAOYSA-N 358.397 4.630 0 40 FJAB Cc1ccc(-c2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)on2)cc1 9194919 FCBJWTZEHQQDAV-UHFFFAOYSA-N 370.836 4.938 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 9827857 PIAXYXVJXPDCSF-UHFFFAOYSA-N 374.396 4.696 0 40 FJAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 10542542 YQODVIPCECSZPY-QGZVFWFLSA-N 361.441 4.560 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 11715392 LJPCSFGZIYHAGX-UHFFFAOYSA-N 351.233 4.840 0 40 FJAB S=C(NNc1ccnc2cc(Cl)ccc12)Nc1ccccc1Cl 12511550 QXTBHJZDBFSFRS-UHFFFAOYSA-N 363.273 4.855 0 40 FJAB aggregator CSc1ccc(Cl)c(C(=O)NCc2coc(-c3cccs3)n2)c1 12777043 OPEBVCOFPZOXLL-UHFFFAOYSA-N 364.879 4.708 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)Cc3ccccc3)s2)cc1 12783403 FTAFTULLBZHSLF-UHFFFAOYSA-N 366.486 4.611 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3cccc(C)c3C)cs2)cc1 12984476 KDRPTFAIUKVNQY-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1 20452875 SSBSAXYJLYJURE-INIZCTEOSA-N 352.261 4.948 0 40 FJAB Cc1ccc([C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1 28405723 SNZFYVLILXVGDP-OAQYLSRUSA-N 372.493 4.870 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36619703 ZKKMALPREYBDRE-LJQANCHMSA-N 363.910 4.989 0 40 FJAB Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1 39279791 HNHRWNUXTCATSG-UHFFFAOYSA-N 352.401 4.620 0 40 FJAB in-vivo COc1cc(NC(=O)N(C)Cc2ccc(Cl)cc2)c(OC)cc1Cl 43449395 QRAKXENBGSDJRZ-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)oc1C 47558987 BFMHPKLMOFHQMG-ZDUSSCGKSA-N 365.524 4.594 0 40 FJAB O=C(c1ccc2c(c1)oc(=O)n2Cc1ccccc1)c1ccccc1Cl 51330619 DTNGPYXQOSRYII-UHFFFAOYSA-N 363.800 4.527 0 40 FJAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 58184537 HNDDUXQKNZKCJY-LBPRGKRZSA-N 361.401 4.842 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 69476225 KLXRSEWEBFLJPA-QGZVFWFLSA-N 354.519 4.937 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cn1 75297195 KQBYSWNVOWDJNZ-XYOKQWHBSA-N 364.376 4.674 0 40 FJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]1c1ccco1 84432129 YVYLUAMOYLNNLP-MSOLQXFVSA-N 353.368 4.567 0 40 FJAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(Cl)cc3)nnc12 100265445 WVTSSCXGAONZSN-BFUOFWGJSA-N 373.909 4.675 0 40 FJAB CCCCOc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1 102276472 NRKWWLVZMWXNCM-OAQYLSRUSA-N 360.461 4.821 0 40 FJAB CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219651205 WGCJAYBHSLUNPI-MRXNPFEDSA-N 359.491 4.697 0 40 FJAB COC(=O)c1cn(C(=O)c2cc(C(C)C)c(OC)cc2C)c2ccccc12 222653674 FCOHUBMYSROPPZ-UHFFFAOYSA-N 365.429 4.557 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222967964 JZTJSFVQSZIHFN-MOPGFXCFSA-N 367.489 4.879 0 40 FJAB CC(C)Oc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 223649259 TVKGVTXTYDWPTA-UHFFFAOYSA-N 355.478 4.580 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)cc1F)CC(C)(C)O2 224481261 CORDJCMIKJZZET-KRWDZBQOSA-N 361.844 4.749 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(Cl)c1 224999655 ZXSNKYPGBHDFIT-UHFFFAOYSA-N 370.880 4.917 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)s2)cc1 225567764 FORZDCUBSJMDLY-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225672958 YYKKBUBMCMXHFM-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(F)c1F 408619389 BQESZSYPLZRZQN-UHFFFAOYSA-N 368.113 4.811 0 40 FJAB O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)n1cnc2ccccc21 408734020 DATDALYMGOHTHC-FQEVSTJZSA-N 361.832 4.918 0 40 FJAB CC(=O)Oc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409316537 YZBNCTMPDQOMMS-SXGWCWSVSA-N 373.817 4.506 0 40 FJAB C[C@H](NC(=O)c1cc2nccnc2cc1F)c1ccc(F)c2ccccc12 564003110 HJYALRSTVHOTHX-LBPRGKRZSA-N 363.367 4.552 0 40 FJAB CCN(C1CCCCC1)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615192371 UZAKSHADRMXBDK-QFIPXVFZSA-N 356.554 4.859 0 40 FJAB CC(C)COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 1775977336 TUTPKABXNJNVGM-OALUTQOASA-N 371.864 4.895 0 40 FJAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1C 986759 SUUGYLMVPMXYSL-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCCC3)c2c1C 1340354 WHJVARRLZMJNQS-UHFFFAOYSA-N 363.552 4.536 0 40 FJAB CCCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 1902649 BLXSDMJSJQAFIJ-UHFFFAOYSA-N 359.520 4.901 0 40 FJAB COc1ccc(-c2csc(NC(=O)CCCOc3ccccc3)n2)cc1 1903786 NHICNSZBRSNMFP-UHFFFAOYSA-N 368.458 4.616 0 40 FJAB CCCC[C@H](NC(C)=O)c1nc2ccccc2n1Cc1ccccc1F 1927007 MKANPHSUMPLGFY-IBGZPJMESA-N 353.441 4.591 0 40 FJAB Cc1scc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)c1-c1ccccc1 2760404 UNQMGYVDVKDKSH-AWEZNQCLSA-N 357.504 4.824 0 40 FJAB O=C(Cc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1 3566818 ULPZYXKVBZXFPO-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB COc1cccc(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 3567082 VXSVLKDHHCVWHZ-UHFFFAOYSA-N 361.397 4.784 0 40 FJAB Cc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)c1 3893208 HNWVHJSRGVYBKX-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB Cc1ccccc1-n1nc2c(c1NC(=O)CCC1CCCC1)CSC2 4088681 ZUZGXGYLHUMZMB-UHFFFAOYSA-N 355.507 4.836 0 40 FJAB CC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3s2)cc1 4753401 ZQAOCXKEKFLRBT-UHFFFAOYSA-N 356.472 4.538 0 40 FJAB O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1Cl 4898519 ANKBKPOOJIEUGK-UHFFFAOYSA-N 365.816 4.635 0 40 FJAB CC(=O)c1c(C)nn([C@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 4937318 BRFKBECYNADGPP-SECBINFHSA-N 368.264 4.599 0 40 FJAB Cc1cc2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)c2cc1C 5587805 IXWIEONHFJRXFH-SFHVURJKSA-N 369.468 4.822 0 40 FJAB Cc1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)s1 5974712 FSMJZZGNPDSUNI-UHFFFAOYSA-N 351.427 4.666 0 40 FJAB CCOc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 6333687 OQXTZMGVFGCYTB-UHFFFAOYSA-N 355.290 4.879 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 6348803 NKCANKJXBCPXTR-UHFFFAOYSA-N 358.869 4.837 0 40 FJAB COc1cc(Nc2ccc(C)cc2)cc(S(=O)(=O)c2ccccc2)c1 6715334 NMDORASGWAMPSF-UHFFFAOYSA-N 353.443 4.580 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)[C@@H]1CC=CCC1 7734712 IMMJBNRJNHWYPB-CQSZACIVSA-N 352.400 4.991 0 40 FJAB CC[C@@H](CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl)c1ccccc1 8392309 IDCJPGNWYSQYPV-INIZCTEOSA-N 367.880 4.758 0 40 FJAB COc1ccccc1NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 8706405 DWMPAGMHQRXNRD-UHFFFAOYSA-N 357.413 4.595 0 40 FJAB Cc1[nH]c(S[C@@H](C)C(=O)NC2CCCCCC2)nc1Cc1ccccc1 8723753 RLVBDFFJFMRUJW-INIZCTEOSA-N 371.550 4.629 0 40 FJAB CCCNc1c(NC(=O)Nc2ccc(C)c(C)c2)c(=O)oc2ccccc12 9607270 OXSRSINTYNEHJM-UHFFFAOYSA-N 365.433 4.876 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2OCC(F)(F)F)cc1 10115610 PQQHUUKVSRERHO-UHFFFAOYSA-N 365.351 4.538 0 40 FJAB Cc1ccc(-c2nnc3sc(C4=Cc5ccccc5OC=C4)nn23)cc1 11689751 YLTCEGXXPGORST-UHFFFAOYSA-N 358.426 4.608 0 40 FJAB CCN(C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1ccccc1 12767156 OLRUJPVVOOYEGB-UHFFFAOYSA-N 353.853 4.809 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ccccc1CN(C)C1CCCCC1 12972019 QGYXGYMLIKIUHQ-UHFFFAOYSA-N 366.505 4.777 0 40 FJAB CCOc1c(Cl)cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC 12983020 BIBZQAXQKRFUPI-GFCCVEGCSA-N 373.836 4.985 0 40 FJAB Cc1csc(-c2nc(NCc3ccccn3)ncc2-c2ccsc2)n1 13227961 AOWOMEMAAJYRSN-UHFFFAOYSA-N 365.487 4.644 0 40 FJAB Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccccn4)nc3c12 13549472 YVOPRTZFRKPUKO-UHFFFAOYSA-N 360.465 4.653 0 40 FJAB Fc1cccc(NC(=S)N2CCCC[C@H]2CCN2CCCCCC2)c1 13720244 GAWSWIZBOYNIGV-IBGZPJMESA-N 363.546 4.643 0 40 FJAB O=C(CCc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 14110138 ODKDMHKUECCIMR-KRWDZBQOSA-N 350.487 4.635 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 14244283 AJNCNBVGZHXQGT-BFHYXJOUSA-N 353.915 4.840 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 14831677 MDEKNJGCAHGOSZ-UHFFFAOYSA-N 368.477 4.596 0 40 FJAB Cc1c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cccc1C(=O)O 20140376 XBGYZPZLMIFARJ-UHFFFAOYSA-N 373.767 4.998 0 40 FJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccccc4)c3)n2)cc1 20900025 KJCKALURKGCZRI-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB O=C1CCc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1 22506912 VSIJJBRYEAKFBA-UHFFFAOYSA-N 350.205 4.522 0 40 FJAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c(Cl)cc1Cl 24992264 UGWDIRSEOJKLJU-PRHODGIISA-N 358.162 4.983 0 40 FJAB CCCOc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 27994533 SFLAYCXVWCDDAG-UHFFFAOYSA-N 366.486 4.571 0 40 FJAB Cc1ccc(-c2csc(NC(=O)Cc3noc4ccccc34)n2)s1 28249518 WYMUKLFYRXVLTO-UHFFFAOYSA-N 355.444 4.502 0 40 FJAB O=C(N[C@H](c1ccccc1)c1ccccn1)N[C@@H](c1ccccc1)C1CC1 29726040 SXXIDQYHBTXFNL-FCHUYYIVSA-N 357.457 4.622 0 40 FJAB O=C(c1cc(F)cc(Br)c1)N1CCC[C@H]1c1cccs1 36396270 FGFXXUZDNLAIDU-ZDUSSCGKSA-N 354.244 4.627 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(C(F)(F)F)cc1 40097832 RWQFZHSHUOPXKS-LBPRGKRZSA-N 352.356 4.939 0 40 FJAB Cc1cccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCC3)c1 45933137 HJBLYVIBVKJTOR-UHFFFAOYSA-N 362.498 4.846 0 40 FJAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078422 QHGOFERXLJGPLI-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB Cc1cc(C)c(OCC(=O)O[C@H](c2ccccc2)c2ccncc2)c(C)c1 48313025 YFGAEUBJKYKHFB-HSZRJFAPSA-N 361.441 4.718 0 40 FJAB CCC(CC)(NC(=O)c1cnc2onc(C)c2c1)c1ccc(Cl)cc1 58325476 TUYVFTKGOMXBQW-UHFFFAOYSA-N 357.841 4.630 0 40 FJAB Fc1ccccc1OCCn1cc(C(=S)N2CCCC2)c2ccccc21 59109362 GRLVKLVJFQCADH-UHFFFAOYSA-N 368.477 4.631 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357737 HKSAKSRIKDFVKO-HSZRJFAPSA-N 356.469 4.579 0 40 FJAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(OC)c1 80344852 WAYHWTVVAAKIRH-HUUCEWRRSA-N 366.244 4.753 0 40 FJAB O=C(Cc1ccccc1F)Nc1c(C(=O)c2ccco2)oc2ccccc12 89813519 NUQJUKBAQRBWCD-UHFFFAOYSA-N 363.344 4.577 0 40 FJAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccn1 95947446 LKRWVXWMCFNWII-SNAWJCMRSA-N 360.257 4.771 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)S1 222635850 STSFVOACQFGUQJ-YSGRDPCXSA-N 366.534 4.978 0 40 FJAB C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc2c(c1)OCCO2 222685684 DQBBHTOGMQYOEL-AWEZNQCLSA-N 373.408 4.848 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969141 AKUJFUWVHADSIQ-UTKZUKDTSA-N 351.490 4.909 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1C(C)C 223350814 JQAKYEPSEWTMDQ-IRXDYDNUSA-N 355.478 4.772 0 40 FJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225897128 SUGYONNJXIDCTL-OAQYLSRUSA-N 358.482 4.946 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(C)C)CC1 408709632 VQMKLAMHCDSXEI-UHFFFAOYSA-N 358.526 4.860 0 40 FJAB CCn1cc(NC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)ccc1=O 549254479 CMANSKVLZIWYMQ-FQEVSTJZSA-N 367.493 4.701 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)CC2CCCC2)CN1c1cccc(F)c1 1615119065 HNHAMAYENYVQIC-JOCHJYFZSA-N 358.501 4.756 0 40 FJAB O=C(Nc1ccccc1Cl)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975748 NDHDNZQDHSHNBE-STQMWFEESA-N 365.264 4.590 0 40 FJAB Cc1ccc([S@@](=O)c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1 1988182070 DAFPBDIGMMUDMU-FQRUVTKNSA-N 361.466 4.680 0 40 FJAB CCOc1ccc(CC(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC 674868 STGHHDQYHHGKHO-UHFFFAOYSA-N 370.493 4.511 0 40 FJAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 683292 XTLUABRKFAHYLB-DHZHZOJOSA-N 370.880 4.768 0 40 FJAB Cc1cccc(-c2nnc3sc(Cc4c(F)cccc4Cl)nn23)c1 1018256 QZWGQKSITNAXBP-UHFFFAOYSA-N 358.829 4.545 0 40 FJAB COc1cc2sc(NC(=O)c3cccc(C)c3OC)nc2cc1Cl 1425630 OLJQIURHEUTYMG-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1737029 YIKLYWDTVWKAON-UHFFFAOYSA-N 359.036 4.528 0 40 FJAB Cc1cc(Br)ccc1SCC(=O)N[C@@H](C)c1ccccc1 2656064 GEYPUYJDEBAZEM-ZDUSSCGKSA-N 364.308 4.727 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1 2713897 WWZDFAZVHNDABY-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB O=P1(Nn2cnnc2)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174616 STYRNRMQAUXOQO-UHFFFAOYSA-N 366.386 4.844 0 40 FJAB CCOc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1O 3212064 BODDTJGWFOKIOQ-OAQYLSRUSA-N 357.413 4.780 0 40 FJAB CCN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3280431 GYNKNDFZSWFLJC-HNNXBMFYSA-N 356.775 4.648 0 40 FJAB Cc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 3648889 RFUODHGRGBWIJB-UHFFFAOYSA-N 368.436 4.819 0 40 FJAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 4289738 JGCILUUDJGILJC-UHFFFAOYSA-N 369.442 4.597 0 40 FJAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 4714078 YHTFMBTXZQZWSS-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB c1ccc(-c2nc(CSc3nncn3-c3ccccc3)cs2)cc1 4835158 DDCZXFCLWZMOKI-UHFFFAOYSA-N 350.472 4.683 0 40 FJAB COc1cc(Cl)ccc1NC(=O)NC(=O)c1c(Cl)cccc1Cl 5512552 ZCWAOFHXEQWOJP-UHFFFAOYSA-N 373.623 4.617 0 40 FJAB Cc1cc(C)cc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 6202361 JSWPSIGVSZPHJH-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 6468968 WVSHPTVRTTWKCL-LLVKDONJSA-N 362.907 4.919 0 40 FJAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 6479716 PVFBHZZGOBXPRC-UHFFFAOYSA-N 360.409 4.614 0 40 FJAB Cc1occc1-c1nnc(SCc2csc(-c3ccsc3)n2)n1C 7733878 CQXMCFJOCIENTR-UHFFFAOYSA-N 374.516 4.861 0 40 FJAB O=C(Cc1ccc(OC(F)F)cc1)NC(c1ccccc1)c1ccccc1 9112564 PQYADRCKCHQMLY-UHFFFAOYSA-N 367.395 4.736 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2[nH]c3ccccc3c2C1 9899782 BDIIFNIORWKEDJ-UHFFFAOYSA-N 357.457 4.557 0 40 FJAB C[C@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 12633816 DSWLQLGUHDHAFU-LBPRGKRZSA-N 371.897 4.845 0 40 FJAB CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 12801408 KLXMFLPZXWVBOH-UHFFFAOYSA-N 361.898 4.590 0 40 FJAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)Nc1cccc2ncccc12 12903223 DFRNRVREKDYFRH-CQSZACIVSA-N 374.469 4.606 0 40 FJAB Cc1noc([C@H](C)Sc2nc(-c3cccs3)nc3ccccc23)n1 12914953 IGWMNRWYOZFPOX-JTQLQIEISA-N 354.460 4.903 0 40 FJAB c1csc(-c2noc(CN3CCC[C@@H]3c3nc4ccccc4s3)n2)c1 14158602 WUAPOHQRMSNLQH-CYBMUJFWSA-N 368.487 4.745 0 40 FJAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(CC2CCCCC2)C1 19081788 RFSHXPJKQABFBM-CTNGQTDRSA-N 371.569 4.577 0 40 FJAB COc1cccc([C@@H]2CCCN2Cc2c(-c3ccccc3)nn(C)c2C)c1 19715871 JIBIOKCYGBPCSE-QFIPXVFZSA-N 361.489 4.741 0 40 FJAB Cc1c(C(=O)N(Cc2ccco2)c2ccccn2)oc2ccc(F)cc12 21786851 OLSOJBAPUFUJIA-UHFFFAOYSA-N 350.349 4.715 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23120174 UOMNWGYFDGVLFB-UHFFFAOYSA-N 367.836 4.664 0 40 FJAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@@H]1Cc1ccccc1 25087640 LXRUONNQMGZAGH-MRXNPFEDSA-N 365.864 4.577 0 40 FJAB CCn1nc(C)cc1NC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 28244031 YCTDIVCOBUKRPR-UHFFFAOYSA-N 367.449 4.759 0 40 FJAB CCCOc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292534 CGFDQXMFSLEBGZ-UHFFFAOYSA-N 364.420 4.857 0 40 FJAB C[C@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1cccc2ccccc12 29488292 KTLOUFPCYIBSBC-GAJHUEQPSA-N 358.485 4.636 0 40 FJAB O=C(Nc1nc(-c2ccco2)cs1)c1csc(-c2ccccc2)n1 38488804 QKCUZBQZDJODLN-UHFFFAOYSA-N 353.428 4.779 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3cc(-c4ccccc4)nn3C)c2)cs1 38677181 MVNSFHBFNUGUIW-UHFFFAOYSA-N 374.469 4.771 0 40 FJAB Cc1c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)oc2ccc(F)cc12 41155626 DQDDLAKGQQJWTI-NSHDSACASA-N 361.800 4.731 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)[C@H]1CCSC1 46291235 XIXOEADKLVMJQB-AWEZNQCLSA-N 367.301 4.536 0 40 FJAB Cc1c(C(=O)Nc2cc(C(C)(C)C)ccc2O)oc2c1C(=O)CC(C)(C)C2 48252845 FZDFXVBNIQCRKY-UHFFFAOYSA-N 369.461 4.999 0 40 FJAB CC(C)[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57529535 LKOPIZBVRYUGLP-UXHICEINSA-N 356.897 4.647 0 40 FJAB O=C(O)CS/C(=C/c1ccc(F)c(F)c1)c1nc2ccccc2s1 57530564 BEXSKYHFZIWSQG-OVCLIPMQSA-N 363.410 4.890 0 40 FJAB Cn1cc(CC(=O)Nc2nc(-c3cccc(F)c3)cs2)c2ccccc21 64364338 VKFUMZPEGAYIRO-UHFFFAOYSA-N 365.433 4.622 0 40 FJAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c(F)c1 71079770 JLYGDWGJQRQFND-UHFFFAOYSA-N 353.397 4.531 0 40 FJAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213495 IXCZFSKNFMMGRP-APWZRJJASA-N 353.466 4.766 0 40 FJAB Cc1ccccc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375267 PMWOFRNAUCNAMR-GOSISDBHSA-N 350.491 4.927 0 40 FJAB Nc1c(Cl)cc(NC(=O)c2cccn2Cc2ccccc2)cc1Cl 84544807 NMNMDOAFZXKAGZ-UHFFFAOYSA-N 360.244 4.678 0 40 FJAB CC(C)N(C(=O)CC1CCOCC1)c1ccc(Nc2ccccc2)cc1 117134218 CDPZRWMONNUXIC-UHFFFAOYSA-N 352.478 4.988 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219494348 PACIMVGLJFCRKD-CVEARBPZSA-N 355.478 4.637 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969296 VXGKFPVSUHXVIG-JTSKRJEESA-N 351.490 4.909 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 223302286 IRDBCBIUOKZNIL-UHFFFAOYSA-N 359.425 4.877 0 40 FJAB Cc1ccnc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c1 224006267 XXLNOMWXVAMEMO-UHFFFAOYSA-N 357.498 4.718 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1 224480810 VEOCDMKTLFRGJR-ROUUACIJSA-N 368.893 4.549 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882095 XBOWMBMCLPISNG-INIZCTEOSA-N 353.340 4.690 0 40 FJAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccccc1Cl 224941246 LETWEVBXPPZUKM-INIZCTEOSA-N 367.876 4.867 0 40 FJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccccc2[C@@H](C)CC)CC1=O 408650288 ASEUPBINBGMJIU-FUHWJXTLSA-N 365.473 4.721 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)cc(Cl)c1 408679033 HTCIXAYNJIDJFX-AWEZNQCLSA-N 354.233 4.798 0 40 FJAB Cc1ccnc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 713003 HDPZUFDQSRNUTI-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB Cc1ccc(CN2C(=O)[C@@H]3CCCN3c3ccc(C(F)(F)F)cc32)cc1 1395277 SDBRNHCGSCSTOM-KRWDZBQOSA-N 360.379 4.529 0 40 FJAB COC(=O)[C@@H](CC(=O)c1cccc(C)c1)c1ccc(Cl)cc1Cl 1397641 BUKIGRUXKHXWSE-HNNXBMFYSA-N 351.229 4.831 0 40 FJAB CC[C@](C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)P(=O)(OC)OC 2271365 LCPJZDOYJOWETJ-CYBMUJFWSA-N 369.185 4.727 0 40 FJAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2409414 WSCWRNODKFKESC-UHFFFAOYSA-N 370.499 4.866 0 40 FJAB COc1ccc(-c2nnc(SCCCC(=O)c3ccccc3)o2)cc1 2645345 ATVMBSYOXQSDGZ-UHFFFAOYSA-N 354.431 4.500 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 2723668 QLVGWPQBNYMRAV-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(OCc2ccccc2)cc1 3221197 UTMJHXIINHIKAV-GOSISDBHSA-N 372.468 4.655 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1cc(Cl)ccc1C 3411997 VUYXSLPPCPWURF-UHFFFAOYSA-N 353.249 4.669 0 40 FJAB Cc1ccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)cc1 3912938 UBCQAOPWTHLHLJ-NTCAYCPXSA-N 354.409 4.570 0 40 FJAB Cc1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 4882283 XHPYBPZCNXXYJY-FRIKZZABSA-N 363.505 4.702 0 40 FJAB Cc1cccc(C(O)(c2cccc(C)c2)c2cccnc2N2CCCCC2)c1 5241692 FQCRDMBLHOVDOW-UHFFFAOYSA-N 372.512 4.973 0 40 FJAB Nc1nc(SCCOc2ccccc2)nc2sc3c(c12)CCCCC3 5930546 RQXPQLDHOWOYOC-UHFFFAOYSA-N 371.531 4.714 0 40 FJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1cc(C)cc(C)c1 6243354 RTKJQHXZOJJMDL-INIZCTEOSA-N 370.518 4.709 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1 7032571 FLYMJENVZIWOCL-NSHDSACASA-N 366.230 4.557 0 40 FJAB COc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc(Cl)c1O 7779811 VZEQXHAGFKPONV-MRVPVSSYSA-N 374.651 4.852 0 40 FJAB O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1 7984278 KIEKQABGIRMSQZ-UHFFFAOYSA-N 360.187 4.567 0 40 FJAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 8002716 YHHZMJJFUPUTOW-GOSISDBHSA-N 350.384 4.631 0 40 FJAB O=C(O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 8190093 CUZOMZPRXHWECC-UHFFFAOYSA-N 374.421 4.914 0 40 FJAB O=C(O)Cc1sc(NC2CCCCC2)nc1-c1ccc(Cl)cc1 8514157 YLXSPWQOUOVTHX-UHFFFAOYSA-N 350.871 4.835 0 40 FJAB Cc1ccc(NC(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 9095269 YNBPMLYUXAMMPM-UHFFFAOYSA-N 364.449 4.796 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)COc2c(C)cc(Cl)cc2C)cc1 12917412 VCXLNIPHYCDDQB-LJQANCHMSA-N 373.880 4.708 0 40 FJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(C(F)(F)F)c1 15694832 NLYVYHBDMKIJMP-JTQLQIEISA-N 350.365 4.806 0 40 FJAB C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)C1 16776784 ZVCDZKFBGOPISW-LZWOXQAQSA-N 369.896 4.525 0 40 FJAB O=C(O)c1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1Cl 18194141 IDLLXOPALVHXKH-UHFFFAOYSA-N 351.789 4.958 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN([C@H](C)c1ccccc1)CO2 20609950 QPSCDOLZEKPMRR-OAHLLOKOSA-N 361.441 4.503 0 40 FJAB biogenic c1coc(-c2nnc(CN3CCc4sccc4[C@H]3c3cccs3)o2)c1 24002731 HMLHGIDNSUSUAK-KRWDZBQOSA-N 369.471 4.600 0 40 FJAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2S1 32879924 DSSRSXRPJTZRRN-UNMCSNQZSA-N 359.494 4.804 0 40 FJAB COc1ccc([C@H](Nc2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 35311036 QECHQDAQQATYDM-NRFANRHFSA-N 352.478 4.606 0 40 FJAB CN(CCCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 36417189 PNRDWMGJZQEECF-UHFFFAOYSA-N 367.445 4.512 0 40 FJAB FC(F)(F)c1ccc2[nH]c(SCc3nc(-c4ccco4)no3)nc2c1 40134550 YYQJFCCNHBYWNJ-UHFFFAOYSA-N 366.324 4.517 0 40 FJAB Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Br 40296662 OBGIWWGZUXUETK-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB Oc1nc(/C(Cl)=C/c2csc(-c3ccccn3)n2)nc2ccccc12 44024165 LDIVKASGTGYDFV-LCYFTJDESA-N 366.833 4.591 0 40 FJAB COc1ncccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 60270725 HMVYMUFCUNOQLL-UHFFFAOYSA-N 367.836 4.608 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3)o2)cc1 63887879 XRCZARFIPJYXOC-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB CC(C)(C)n1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cn1 65923943 BBDGXDZLYGKGMY-UHFFFAOYSA-N 360.417 4.699 0 40 FJAB Cc1nc(Cl)cc(N2CCC[C@H]2c2nc3ccccc3n2C(C)C)n1 75107040 RKXWCLWZEXQGSB-INIZCTEOSA-N 355.873 4.711 0 40 FJAB CCC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccccc1OC 76555455 ONRILTNIRHMIAT-LJQANCHMSA-N 368.477 4.738 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(OCc2ccccc2)no1 85558523 PTJOCBDNYXNJOG-UHFFFAOYSA-N 362.307 4.525 0 40 FJAB O=C1CCCN1c1ccccc1NCc1cnc(C2CCCCC2)s1 89814375 VWPFOJUYZNQWMN-UHFFFAOYSA-N 355.507 4.930 0 40 FJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccccc2NC(=O)C(C)(C)C)C1 100626516 DSGVJZPKVYXGQJ-QRQCRPRQSA-N 356.510 4.712 0 40 FJAB Cc1csc(C2(NC(=O)[C@H](C)c3cc4ccccc4o3)CCCC2)n1 176373975 YESHGABWMYXCGK-CQSZACIVSA-N 354.475 4.887 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219549759 SNVNMIITERNJCB-PXNSSMCTSA-N 367.489 4.798 0 40 FJAB Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 222559617 LJBWALRYTWACAV-CYBMUJFWSA-N 351.837 4.596 0 40 FJAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)s1 223263949 BPNVFYMZWLODGQ-GFCCVEGCSA-N 373.503 4.598 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225671340 HRDSJSZARJRNRW-OAHLLOKOSA-N 371.477 4.635 0 40 FJAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)c2cccnc12 225888758 OEHVTLQYLBQIJU-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB O=C(c1ccccc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257216090 CTBGYMXWFWKVQY-FQEVSTJZSA-N 364.420 4.772 0 40 FJAB CCCCc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408708925 NIGLFAQJSHEROM-UHFFFAOYSA-N 358.526 4.689 0 40 FJAB CCN1C(=O)c2cc(Cl)ccc2NC12CCC(OC1CCCC1)CC2 639412593 MGNSNNFXVBACAS-UHFFFAOYSA-N 362.901 4.826 0 40 FJAB CC(C)C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)c1cccs1 663771194 ICNYZECDEWMAMN-SQNIBIBYSA-N 364.555 4.826 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 854229 JUYFEJAHQXTQGS-UHFFFAOYSA-N 356.516 4.746 0 40 FJAB COc1ccc2c(C)cc(SCC(=O)Nc3c(C)cccc3C)nc2c1 947751 XXQZNJSSXSKGQX-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB COc1ccccc1CN(Cc1cc2ccc(C)cc2nc1Cl)C(C)=O 1367631 VJWKJXNVQVEMJQ-UHFFFAOYSA-N 368.864 4.754 0 40 FJAB COC(=O)CCCCc1ccc(CCCCC(=O)OC)c2ccccc12 1767584 VXNYEWSPJLJBHU-UHFFFAOYSA-N 356.462 4.611 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 2200219 URUXAHFIRTXWIE-QFIPXVFZSA-N 355.437 4.834 0 40 FJAB CCOc1ccc2[nH]c(SCC(=O)c3cc(C)c(C)cc3C)nc2c1 2796914 QAPBJXMDOKDGHI-UHFFFAOYSA-N 354.475 4.862 0 40 FJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 3348707 ROBWRXZIHLSQPY-UHFFFAOYSA-N 374.440 4.843 0 40 FJAB aggregator O=C(Oc1ccc(Cl)c2ccccc12)c1ccc(N2CCCC2=O)cc1 3363974 YEJWQDZOLVVNME-UHFFFAOYSA-N 365.816 4.839 0 40 FJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)cc1 4384955 GRQSIARVDDFWQG-AWEZNQCLSA-N 361.272 4.830 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(N(C)C)cc1 4849244 VSKGZEVEFZABQD-UHFFFAOYSA-N 365.502 4.594 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1C 5060033 OVNFNPFOHUSDKE-YCRPNKLZSA-N 367.518 4.638 0 40 FJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 5248645 HQGIHEHYJOSVLC-QFIPXVFZSA-N 369.399 4.966 0 40 FJAB CN(C)C[C@@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccc(Cl)cc1Cl 5573826 MLUKYQZFCRKVSG-PMGRVEHTSA-N 356.293 4.670 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)CN[C@@H]1CCCc2ccccc21 6022940 MGMZYAITGWMTEP-LJQANCHMSA-N 366.505 4.598 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 6355170 UYLDAOCSBHNFMR-UHFFFAOYSA-N 362.838 4.609 0 40 FJAB COc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2F)c1 6387495 DAIMSNQXYBCBBY-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccc(Cl)cc1Cl)n2C 6415061 GCMSIGVQISAGSI-LVZFUZTISA-N 365.285 4.905 0 40 FJAB O=C(CCCSc1ccccc1)Nc1nnc(Cc2ccccc2)s1 6887178 VMAAPNYPMASTPK-UHFFFAOYSA-N 369.515 4.640 0 40 FJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C1CC1 7980508 YTMMZHCOLJMUNH-UHFFFAOYSA-N 365.864 4.561 0 40 FJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)CCCC2 7996203 SOFJQMZBRASBPT-UHFFFAOYSA-N 355.488 4.706 0 40 FJAB COc1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 8129027 NLICTXFKJBHCEK-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB CN(C)C(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 8485062 MWGLEMXSOTZBDJ-UHFFFAOYSA-N 367.452 4.908 0 40 FJAB Oc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3)oc2c1 8643209 CKLHMMPNHTWWQH-FCQUAONHSA-N 353.381 4.914 0 40 FJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCCC3)ccc21 8959264 BHARKPKCTZCBJI-UHFFFAOYSA-N 372.509 4.613 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 11746175 PVYKDDYTUIMOOS-INIZCTEOSA-N 368.502 4.550 0 40 FJAB O=C(Nc1ccccc1C(=O)NCCCCc1ccccc1)c1ccccc1 12879250 MNKOVNBFVVNDAK-UHFFFAOYSA-N 372.468 4.692 0 40 FJAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1OC 14258375 YNKJUGMWNPPQLI-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB Fc1cccc(CSc2nnc(NCCc3cccs3)s2)c1 14703674 MYCLRXSKPULQFE-UHFFFAOYSA-N 351.497 4.686 0 40 FJAB S=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 16221553 NUKUXHJJTDQGGM-UHFFFAOYSA-N 366.317 4.512 0 40 FJAB COc1ccc(Nc2nnc(-c3sc(C)nc3-c3ccccc3)o2)cc1 19923638 VZUDPTJZRAENNK-UHFFFAOYSA-N 364.430 4.921 0 40 FJAB CCOc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC 20456102 DVEOEOKOTNMUIY-UHFFFAOYSA-N 371.521 4.502 0 40 FJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CC(C)(C)C)CC2 24447336 JZFOPAYKXYSMSM-HXUWFJFHSA-N 373.518 4.676 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)C1(C)C 24692373 CYELLZLMDCNBMP-GPMSIDNRSA-N 352.478 4.772 0 40 FJAB Cc1ccccc1-c1cc(C(=O)N[C@H](C)C2CC2)c2cnn(C(C)C)c2n1 25772664 MMJGGGKECLLPHF-OAHLLOKOSA-N 362.477 4.516 0 40 FJAB COc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 27745008 KGAVUHHKMKSJEB-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1 28287255 ZSBWJPKUYNDOEO-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)n(C2CCCC2)n1 32609979 ZWMMGRNHXDQJEQ-UHFFFAOYSA-N 352.360 4.969 0 40 FJAB Cc1cccc(Cn2cc(NC(=O)Nc3ccc(F)c(Cl)c3)cn2)c1 32610068 PGDDPHAQGRHMJW-UHFFFAOYSA-N 358.804 4.676 0 40 FJAB CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccc(F)cc3)no2)s1 35671207 SHRJURRXHLUWHI-UHFFFAOYSA-N 374.441 4.682 0 40 FJAB CCN(C(=O)c1c(-c2ccccc2)noc1C)c1nc2ccccc2s1 36396497 YDBBROYCHDJJTJ-UHFFFAOYSA-N 363.442 4.926 0 40 FJAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccc2ccccc2n1 38767319 SKPQDJUODBFPTJ-UHFFFAOYSA-N 366.323 4.525 0 40 FJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccccc2)c1 39981661 SLLMLKJVVDRMFI-DNVCBOLYSA-N 371.502 4.548 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 43548354 SGBUDBGYNBXUFM-OAHLLOKOSA-N 352.434 4.953 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 44885116 DSSMOXWEKCRHGS-XLIONFOSSA-N 355.478 4.737 0 40 FJAB Cc1cc(C)c2cc(C(=O)O[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 45616605 PBPCKMDBNFLNOS-LBPRGKRZSA-N 367.430 4.814 0 40 FJAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 47073697 SGQGYBSTVRQDCV-QGZVFWFLSA-N 374.469 4.664 0 40 FJAB CCc1ncc(CN[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cn1 57774224 NFUVFUPZSMGRAP-FMWKFLBASA-N 355.913 4.754 0 40 FJAB O=C(Nc1ccc(F)cc1F)NC1(c2ccc(Br)cc2)CC1 58015805 RYUPKSMUEKKYHQ-UHFFFAOYSA-N 367.193 4.538 0 40 FJAB CC1CCN(C(=O)c2cccc(-c3nc4ccc(F)cc4s3)c2)CC1 59843067 ZZWPFDUWROUQGR-UHFFFAOYSA-N 354.450 4.975 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71325997 LAQGPRLUNKRRAL-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB CCCCNc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72213593 GGIJOOOLZLHCLR-IBGZPJMESA-N 353.466 4.767 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)o2)s1 72390093 JVUZSILBIQMLPX-OAHLLOKOSA-N 357.454 4.625 0 40 FJAB FC(F)(F)c1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 73634347 QIEDRYWYWKZWHP-UHFFFAOYSA-N 354.744 4.678 0 40 FJAB CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@H](c2cccnc2)C(C)C)c1 75107324 OTCJFXQLGUIUBK-UWJYYQICSA-N 354.494 4.528 0 40 FJAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)c1ccccc1F 85471499 RMXSFGAUZDWDHQ-UHFFFAOYSA-N 369.465 4.796 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCC2 102197147 FXBOBWJPZFPWQV-NFAWXSAZSA-N 361.507 4.567 0 40 FJAB CCc1cnc(NC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 174219993 WYUKIVIQLYZYDB-GFCCVEGCSA-N 364.540 4.697 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccccc1OC 223257094 BKMLTUVCCFGIBQ-KDOFPFPSSA-N 361.869 4.692 0 40 FJAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 223738335 NAMDSBCATCFASB-UHFFFAOYSA-N 353.487 4.784 0 40 FJAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl 224177250 LTEMNFTUYLYCCH-UHFFFAOYSA-N 352.327 4.628 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 224990534 PETDXVCODAHJJN-HXUWFJFHSA-N 369.505 4.947 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccccc2)cc1 408693794 DSLRRXMACQHAJC-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1 900178 KRERFYJJBDFGGR-UHFFFAOYSA-N 352.507 4.950 0 40 FJAB CCc1ccc(OCc2nnc(SCc3ccccc3)n2CC)cc1 916123 UNVYKHNIATVAHA-UHFFFAOYSA-N 353.491 4.732 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1ccc(C(=O)c2ccccc2)cc1 1518270 WUYJTKVQECUKMU-UHFFFAOYSA-N 358.422 4.780 0 40 FJAB CSc1cc2c(c3c1CCc1ccccc1-3)c(=O)n(-c1ccccc1)n2C 3843034 CQWYFLCGCVOKFC-UHFFFAOYSA-N 372.493 4.817 0 40 FJAB biogenic C[C@H](Cc1ccccc1)NCCCCCCN[C@H](C)Cc1ccccc1 5276049 QDTBMJUZMMWCQX-FGZHOGPDSA-N 352.566 4.988 0 40 FJAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1 5358595 MFXCYIKNWHACER-LBPRGKRZSA-N 373.428 4.526 0 40 FJAB O=C(c1cccnc1-c1nc2ccccc2s1)N1CCc2ccccc21 5451682 BELLGXBBIAUHKK-UHFFFAOYSA-N 357.438 4.561 0 40 FJAB CCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)c1 5597647 WIGDGIWNAQCSDQ-UHFFFAOYSA-N 362.882 4.564 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)OCC1c2ccccc2-c2ccccc21 5776053 YCMVXUXCVKNNOO-UHFFFAOYSA-N 373.408 4.819 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCCC2 6047448 PSZPRZWXPATPLW-UHFFFAOYSA-N 357.475 4.836 0 40 FJAB O=C1C[C@@H]2Sc3ccccc3N=C2N1Cc1c(Cl)cccc1Cl 6243606 CJGMPGWRHPMLBU-HNNXBMFYSA-N 363.269 4.930 0 40 FJAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 6743450 NGIPHAGDMCDZPX-UHFFFAOYSA-N 369.896 4.587 0 40 FJAB COc1ccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc1Cl 8127404 IRASYVRZSRILQX-UHFFFAOYSA-N 368.864 4.572 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 8209514 RDHAQVQAWVLCST-UHFFFAOYSA-N 352.459 4.512 0 40 FJAB Cc1nc(-c2cccc(NC(=O)CN(C)C3CCC(C)CC3)c2)cs1 8272820 ISYMFQQSURFSSA-UHFFFAOYSA-N 357.523 4.568 0 40 FJAB COc1ccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)cc1 8728530 RGRCUZOFBFABPD-IBGZPJMESA-N 350.443 4.562 0 40 FJAB CC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)nc4ccccc34)cnc21 8777565 RFNWWZDCQJWQHI-UHFFFAOYSA-N 371.444 4.690 0 40 FJAB O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(C(=O)O)cc1 8843823 GNYNNHSMEJVYSL-UHFFFAOYSA-N 369.804 4.870 0 40 FJAB Cc1ccc(C)c(OCC(=O)OCc2csc(-c3ccccc3)n2)c1 9218814 WBENREZGBBMUKN-UHFFFAOYSA-N 353.443 4.549 0 40 FJAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc2cc[nH]c2c1 12409986 NJGZUQVUNQQPRL-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB O=C(CCCc1nc2ccccc2s1)Nc1nc2c(s1)CCCCC2 12744939 LKYNMFDQXPTBRF-UHFFFAOYSA-N 371.531 4.983 0 40 FJAB C1=C(c2c[nH]c3ccccc23)CCN(Cc2nc(-c3cccs3)no2)C1 12999033 APADJFSCXZXOOG-UHFFFAOYSA-N 362.458 4.569 0 40 FJAB c1ccc(SCCCN2CCN(c3nsc4ccccc34)CC2)cc1 13683722 FMAHYEKYINWZLU-UHFFFAOYSA-N 369.559 4.601 0 40 FJAB CC[C@H](c1ccccc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13693141 QZGJTRHABKHCKK-MRXNPFEDSA-N 371.469 4.943 0 40 FJAB CC(C)n1ncc2cc(C(=O)N3CC[C@H](C)Sc4ccccc43)cnc21 14184198 GRQQHSFHKNQJAI-AWEZNQCLSA-N 366.490 4.543 0 40 FJAB COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nc2ccc(Cl)cc12 15829224 XMKRKLWQZCMSTK-UHFFFAOYSA-N 365.191 4.942 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)cc1 20490878 CLJNORDIZSMFRO-UHFFFAOYSA-N 361.825 4.558 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 23299456 YFMXFIPUQVBVRK-UHFFFAOYSA-N 352.459 4.636 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 25010331 LJFPULVRLQQTNN-UHFFFAOYSA-N 354.406 4.765 0 40 FJAB O=C(Nc1cccc2ncccc12)c1ccc(-n2cnc3ccccc32)cc1 25450183 BQGZHQNQVANISF-UHFFFAOYSA-N 364.408 4.826 0 40 FJAB O=C(Oc1ccccc1)c1nc(SCc2ccccc2F)ncc1Cl 28290463 JCMRKRKWNLZVGU-UHFFFAOYSA-N 374.824 4.781 0 40 FJAB Cc1cc2nnc(SCc3sc4ccccc4c3Cl)n2c(C)n1 33031411 MWUYSBRDDBDGLK-UHFFFAOYSA-N 360.895 4.902 0 40 FJAB Cc1cc(-c2csc(NC(=O)[C@@H]3OCCc4ccccc43)n2)c(C)s1 35316771 VSWWBUCHXKFIOF-QGZVFWFLSA-N 370.499 4.741 0 40 FJAB CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1CCC(C)CC1 36624729 JJLGXVVUUXKOKY-UHFFFAOYSA-N 350.462 4.745 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 38849823 FPRFOGCKNZJFJJ-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1Br 40478365 NKTOOBVOPKHXAP-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB CN(C(=O)COc1ccc(C(C)(C)C)cc1Br)C1CCCC1 44839855 MMICMZMXBUYSMP-UHFFFAOYSA-N 368.315 4.526 0 40 FJAB COc1cccc(C[C@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)c1 48309157 XTPPPNXSWFOKPC-OAQYLSRUSA-N 362.473 4.866 0 40 FJAB Cc1csc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 58432334 RVWJWSVHNFVPMX-GOSISDBHSA-N 354.500 4.601 0 40 FJAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 60157836 FEVREHOYPGRQKZ-NSHDSACASA-N 373.909 4.910 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1c[nH]nc1-c1ccc(Cl)cc1 71280912 USHSZGJRJCQHMM-ZDUSSCGKSA-N 355.829 4.631 0 40 FJAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1sc(-c2cccs2)nc1C 75093449 XLDXUGSZVADRFI-NWDGAFQWSA-N 352.550 4.584 0 40 FJAB C[C@@H](C(=O)Nc1ccc(F)cc1F)c1cccc(C(=O)c2ccccc2)c1 98073352 ZUXFVZQWXGOYMH-CQSZACIVSA-N 365.379 4.938 0 40 FJAB Cn1c([C@@H](NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21 106148653 RUGSSFZLHUQEQD-JPHBTFASSA-N 373.500 4.605 0 40 FJAB O=C(c1cc(-c2cccnc2)on1)N1CCCc2cc(Cl)cc(Cl)c21 157901958 ULGRIGBCLRBJIG-UHFFFAOYSA-N 374.227 4.636 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219326831 OZOQREQRHQDCJM-HXUWFJFHSA-N 357.425 4.943 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(OC)cc1 222913043 OLHISNZPMFDHHE-NRFANRHFSA-N 369.505 4.509 0 40 FJAB CCOc1ccc(C(=O)N[C@H]2CCCc3cc(OC)ccc32)cc1Cl 223180667 RGRFTTKPBOBIKY-SFHVURJKSA-N 359.853 4.555 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1cc(Cl)ccc1Cl 225063724 PLTFOJRFUJWLMG-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 225387582 KTVVXRVHCOTZFD-LBPRGKRZSA-N 372.317 4.736 0 40 FJAB CCOc1cccc(NC(=S)NCCCSCc2ccccc2)c1 225598276 HOGIUWMLBYBCIS-UHFFFAOYSA-N 360.548 4.695 0 40 FJAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(Oc2nccs2)cc1 225636223 GOTMZIBLLXJQGL-UHFFFAOYSA-N 369.427 4.904 0 40 FJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1 226338515 BNDLISMTDQTYBY-FPYGCLRLSA-N 362.216 4.708 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408650448 BFWOBCOQCZRZGV-SFHVURJKSA-N 365.473 4.694 0 40 FJAB C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 514437243 SJHGOZGKCLZNHH-YLJYHZDGSA-N 361.489 4.884 0 40 FJAB CCOC(=O)c1cnc(Oc2ccc(-c3ccccc3)cc2Cl)cn1 548289125 JKLTUAXQTPQPNY-UHFFFAOYSA-N 354.793 4.766 0 40 FJAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1c(C(=O)O)oc2ccccc12 565104589 VAHHKESVVUMOGW-DZGCQCFKSA-N 353.393 4.648 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccccc4)CC3)sc2c1 668813 QNIUMZVDLHQHAQ-UHFFFAOYSA-N 370.905 4.826 0 40 FJAB O=C(Nc1ccc(NC(=O)c2cccc3ccccc23)cc1)c1ccco1 724225 RMZXBCQTLLIZIR-UHFFFAOYSA-N 356.381 4.937 0 40 FJAB CCc1cccc(C)c1NC(=O)COc1ccc(Br)c(C)c1 850428 NJOAISBLOAMUFJ-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB Cn1c(SCc2ccccc2)nnc1-c1csc(-c2ccccc2)n1 1391482 HOMCXYFCSLPSLO-UHFFFAOYSA-N 364.499 4.898 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1csc(-c2ccncc2)n1 1397279 MWLVPEVALUISAE-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB COc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1F 2629141 JJWBBOMVTJHISB-UHFFFAOYSA-N 355.394 4.658 0 40 FJAB COCCn1c(SCc2nc3ccccc3s2)nc2ccccc21 3499048 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O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc2c(c1)CCCC2 11634870 VWCNYNQGZBXBBF-UHFFFAOYSA-N 373.456 4.747 0 40 FJAB Cc1ccc(NC(=O)CCCOc2cccc(Br)c2)c(F)c1 15568853 VAGDVMVQACWHTB-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB COc1cc(C)c(CN[C@@H](Cc2cccs2)c2nccs2)cc1C 19567399 MNNPQOJOAIVGDY-KRWDZBQOSA-N 358.532 4.904 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2c(c1)ncn2C1CC1 19714291 DNIFPYJCIJCZCL-UHFFFAOYSA-N 367.478 4.523 0 40 FJAB CC(C)CC(=O)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914049 JUZKUVLHRXNDPN-UHFFFAOYSA-N 355.438 4.996 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCCCC2)cc1 28839262 TUFXCTUZHSWYAO-UHFFFAOYSA-N 351.475 4.535 0 40 FJAB Cc1cc(OCC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)ccc1Cl 31564313 WNBWQGYDTQBWFD-UHFFFAOYSA-N 373.865 4.514 0 40 FJAB CC[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1ccccc1 36617417 YLJPNPIPXALUNU-INIZCTEOSA-N 361.401 4.672 0 40 FJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccccc2)c1 39981665 SLLMLKJVVDRMFI-BEFAXECRSA-N 371.502 4.548 0 40 FJAB COc1cccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 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371.908 4.958 0 40 FJAB FC(F)Sc1ccc(-c2ccc(C(=S)N3CCOCC3)s2)cc1 801483 RBLKPBFPSRDGOY-UHFFFAOYSA-N 371.499 4.738 0 40 FJAB Nc1ccccc1SCC(=O)N1c2ccccc2CCc2ccccc21 929791 DQUIZQZCQWLIMF-UHFFFAOYSA-N 360.482 4.824 0 40 FJAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1 2439427 VBCXUWRJIYPESD-UHFFFAOYSA-N 367.405 4.554 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1OCC 3423085 UZGGMSYLVYBUNV-UHFFFAOYSA-N 354.859 4.545 0 40 FJAB COc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1 4942809 LBOKGWVNRRPOKY-UHFFFAOYSA-N 357.837 4.810 0 40 FJAB COc1ccccc1-n1c(SC/C=C(\C)Cl)nc2ccccc2c1=O 4973890 NHXXOIXPYJCRAR-ACCUITESSA-N 372.877 4.629 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 6054792 NDTXTGRCYVPRAK-AWEZNQCLSA-N 367.474 4.981 0 40 FJAB COc1ccc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 7294578 VBBNQVMIWRZPBQ-AWEZNQCLSA-N 359.516 4.705 0 40 FJAB COc1ccc(COC(=O)C(c2ccccc2)c2ccccc2)cc1F 7481760 FATPTAIJUPVHHW-UHFFFAOYSA-N 350.389 4.710 0 40 FJAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c(Cl)c1 8071111 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4.682 0 40 FJAB Cc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2Cl)no1 16362223 MNHOYZIUYLRDMK-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)Cc1csc(Nc2ccccc2)n1 16850082 QZWMZDNNNYGSCS-INIZCTEOSA-N 365.502 4.567 0 40 FJAB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)c(C)c1 18084177 ZHFNTGDWLGHPAM-RCCKNPSSSA-N 368.436 4.943 0 40 FJAB COc1ccc(C[C@H](NC(=O)CC2CCCC2)c2ccc(OC)cc2)cc1 18704877 LCDAYWUFVDFSRV-QFIPXVFZSA-N 367.489 4.684 0 40 FJAB Cc1cc(-c2cnc(N[C@@H](C)c3cccnc3)nc2-c2ccoc2C)on1 19124090 QRVLMWCSHPDTOO-ZDUSSCGKSA-N 361.405 4.577 0 40 FJAB Fc1ccc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1F 19292938 BDHAZPFWOGMVKG-INIZCTEOSA-N 361.417 4.804 0 40 FJAB CC[C@@H](C)N(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@H](C)CC 19316466 ZKAPOWNFQZVGRH-HZPDHXFCSA-N 373.566 4.827 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1 20489117 UCNKTYAQENBNCL-AWEZNQCLSA-N 363.910 4.849 0 40 FJAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl 38849679 VLQOQLBGIJBJLD-INIZCTEOSA-N 360.860 4.638 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2ccccc2)CC1 39742664 IROFOGJFIGSVLM-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc(OC)c1 40056991 DJBAKBPTWZZYEV-FEAKQIBJSA-N 365.429 4.683 0 40 FJAB Cc1cccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)c1 41076971 ZMPPTWAYTCEICP-UHFFFAOYSA-N 363.461 4.527 0 40 FJAB Brc1cc(Cc2ccccc2)ccc1OCC[C@@H]1CCCNC1 42770224 QMKNLDRPIASSGQ-KRWDZBQOSA-N 374.322 4.808 0 40 FJAB CSc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44786558 XZVRZFRGAUHVRH-INIZCTEOSA-N 374.937 4.913 0 40 FJAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(Cl)sc1Cl 58245111 AHTZQCLXLKGGOZ-UHFFFAOYSA-N 363.653 4.919 0 40 FJAB CCOC(=O)c1cccc(Nc2ccnc3c(OC)ccc(Cl)c23)c1 64874719 RGIZGVYUEGDZIV-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1C[C@H]1c1ccccc1F 69929307 OPTNWIMIBMPYOU-JKSUJKDBSA-N 353.393 4.609 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 72380248 ARUPLTXHPCVYLS-GOSISDBHSA-N 369.827 4.847 0 40 FJAB Cc1ccsc1CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(C)C 84251369 IWYOCFGCCUCXTC-UHFFFAOYSA-N 357.454 4.637 0 40 FJAB CCCCCc1ccc(NC(=O)N2CCc3c(ncn3C3CC3)C2)cc1 97141409 OWYPHWQECRWGKY-UHFFFAOYSA-N 352.482 4.541 0 40 FJAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCCCC[C@H]1c1ccncc1 174638663 MPQNPPPCLLWNAI-IBGZPJMESA-N 361.445 4.803 0 40 FJAB Cc1cccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 222745451 MVIWELQRJVDDPH-LJQANCHMSA-N 369.530 4.955 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C(C)C 223319577 MXWPYRUDTAIKRY-JKSUJKDBSA-N 373.468 4.911 0 40 FJAB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl 225075802 QYRMTBBQIUGHMV-MRXNPFEDSA-N 359.853 4.689 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(F)(F)F 225650593 MIJSQPZDDZKAMN-CYBMUJFWSA-N 363.379 4.990 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)c1 225711574 TWQGXFXMVCXHCE-LJQANCHMSA-N 370.518 4.918 0 40 FJAB CCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225885133 TXCKBLVNGGCRCJ-UHFFFAOYSA-N 350.503 4.595 0 40 FJAB COc1ccc(CCCc2nnc(SCc3ccc(C)cc3)o2)cc1 409018331 UODBMDKRZCZIGS-UHFFFAOYSA-N 354.475 4.854 0 40 FJAB CC(C)[C@H](C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccnc1 684770196 OCIBMQJDZOJBGR-MJGOQNOKSA-N 358.869 4.505 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(Br)c1 805657 QGOWEYFRKANDRC-UHFFFAOYSA-N 366.258 4.969 0 40 FJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cc(C)ccc1O 955757 NEUMUJRTMKITSQ-UHFFFAOYSA-N 350.418 4.786 0 40 FJAB COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 2961403 LJNNBKVCMGKZHP-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(=O)c2ccccc2o1 4079262 BOZMJYASCQJPGW-UHFFFAOYSA-N 372.405 4.808 0 40 FJAB COc1cc(CNCc2cccs2)ccc1OCc1ccc(C)cc1 5019833 JRGYFMUZWYQQAB-UHFFFAOYSA-N 353.487 4.934 0 40 FJAB Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)s1 5974999 RMQPXYOYXACFST-GOSISDBHSA-N 369.417 4.732 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1cccc2cccnc12 6788457 QXRJZGSAVIARTA-UHFFFAOYSA-N 351.456 4.575 0 40 FJAB CCOc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 6940813 BFDQCEJYBGQBNA-UHFFFAOYSA-N 361.445 4.888 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 7080162 HKJWJBMLDNSZAZ-ZDUSSCGKSA-N 362.267 4.980 0 40 FJAB O[C@H](CNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 8178393 USEWLAAHLQCLAP-QGZVFWFLSA-N 365.433 4.643 0 40 FJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(F)cc1 8230577 KLIUKRHYODCPKI-CYBMUJFWSA-N 367.449 4.647 0 40 FJAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2nc3ccccc3s2)o1 8388945 WZXHFUXKUYJURB-UHFFFAOYSA-N 360.398 4.685 0 40 FJAB COc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c(O)c1 8771047 ORYPNMZFPZYJQM-UHFFFAOYSA-N 359.223 4.529 0 40 FJAB COc1ccc(-c2noc(CSC3=Nc4ccccc4CS3)n2)cc1 9112922 LBMSPSAURQBXSZ-UHFFFAOYSA-N 369.471 4.913 0 40 FJAB CCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 9164630 IOKSMYHTJCIAGZ-OAQYLSRUSA-N 354.519 4.943 0 40 FJAB c1ccc(Nc2nnc(SCc3ccc(-n4cccn4)cc3)s2)cc1 9884064 UTKDXRWDAOZOHL-UHFFFAOYSA-N 365.487 4.760 0 40 FJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccc2ccccc12 11005682 ONFOBQKPQGBKMD-UHFFFAOYSA-N 370.456 4.749 0 40 FJAB COc1cc(Cl)c(NC(=O)Cc2ccc3ccccc3c2)cc1OC 11066046 VJFBHEBPEFWNFK-UHFFFAOYSA-N 355.821 4.692 0 40 FJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)Nc1ccccn1 11701228 HDGYVKZPHIXJAE-UHFFFAOYSA-N 359.404 4.940 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1nc2ccccc2s1 14139281 ICINUYPEKHTROW-HNNXBMFYSA-N 356.516 4.826 0 40 FJAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccccc3)n[nH]2)cc1 19743199 FWHQUNQCWJUQRQ-QFIPXVFZSA-N 365.452 4.507 0 40 FJAB Cc1cc2oc(-c3ccc(Cl)cc3)c/c(=N\CCC(=O)O)c2cc1C 19793970 BWJPVBLLHXHADM-OQKWZONESA-N 355.821 4.745 0 40 FJAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccccc2)cc1 20138855 QNPLYYSYTLKWKP-UHFFFAOYSA-N 351.789 4.958 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(c2cccs2)CC1 22680017 BBUYNVGEBFEENI-UHFFFAOYSA-N 372.877 4.827 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(-n2ccnc2)cc1 23889381 CAKCKAXCWZROJH-UHFFFAOYSA-N 367.408 4.953 0 40 FJAB CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 24749022 NAQVLYNADKAWHP-JLHYYAGUSA-N 363.486 4.625 0 40 FJAB CC(=O)OC/C(=C\CC/C(=C\CC/C(C)=C\CO)CO)CCC=C(C)C 31159378 GFDOSVZSTRYXMK-XXMIIGLVSA-N 364.526 4.640 0 40 FJAB biogenic,in-vitro O=C([C@H]1CC1(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 32117896 DWBVHXRPXNOGNW-HSZRJFAPSA-N 353.465 4.578 0 40 FJAB biogenic,in-vitro COc1ccc(C)cc1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854816 FSOLPWQEGLWZGZ-UHFFFAOYSA-N 367.445 4.616 0 40 FJAB Cc1ccc2nc(C3CCN(C(=O)Nc4ccc(F)cc4F)CC3)[nH]c2c1 35291881 DITGERYFMMHCJK-UHFFFAOYSA-N 370.403 4.561 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 59211011 QJYBWQVFCDSKSW-ZDUSSCGKSA-N 362.267 4.979 0 40 FJAB Fc1cccc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1F 72390159 SKWBWMMETQWVCB-OAHLLOKOSA-N 361.417 4.804 0 40 FJAB CC(=O)N(C)Cc1cccc(NCc2ccc(-c3ccc(F)cc3C)o2)c1 80194345 SGOCGGDEMOSVQX-UHFFFAOYSA-N 366.436 4.985 0 40 FJAB COCOc1ccc(OC)cc1CN[C@H](C)c1cccc2ccccc12 89905409 YGFWNTPNZCCMGU-MRXNPFEDSA-N 351.446 4.682 0 40 FJAB CCO[C@]12c3ccccc3O[C@@H](c3ccc(F)cc3)[C@@H]1C2(Cl)Cl 100164120 XMVVCRVUKADPAS-YESZJQIVSA-N 353.220 4.995 0 40 FJAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccccc2)cc1 127137580 SOVJXGUUVRDUNO-DNVCBOLYSA-N 366.417 4.706 0 40 FJAB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 219863567 JCJOKXXQODRZME-LJQANCHMSA-N 350.506 4.706 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccccc1C 222982791 HTAIVEFRUPTGHD-OAQYLSRUSA-N 371.546 4.819 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2 224379785 OVPPOYZZYIJNPK-UHFFFAOYSA-N 351.446 4.949 0 40 FJAB Cc1cccc(CCC2(NC(=S)Nc3ncccc3C)CCCC2)c1 225872266 XNDJOTZXWHVSLD-UHFFFAOYSA-N 353.535 4.930 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)c(Br)c1 226764375 VCIIREMXNRRLPK-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccccc2)c1 408697218 GFFAMSQFSMHORQ-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 408714493 RXHVKNOWHPRHEW-UHFFFAOYSA-N 363.461 4.615 0 40 FJAB COC(=O)CCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575361245 VLGAEUMSICHWKA-UHFFFAOYSA-N 356.262 4.640 0 40 FJAB CC(C)Cc1ccc([C@H](NC(=O)N2CCC23CCOCC3)C(C)C)cc1 683412510 INPFREYTZHCZTO-HXUWFJFHSA-N 358.526 4.547 0 40 FJAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc(C2CC2)c1 1125545068 MVUKKTJVMBCTSR-UHFFFAOYSA-N 355.850 4.988 0 40 FJAB CCOc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 1776004645 WNRPNCWWZIKCSS-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB CCCc1nn(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1Cl 633107 JPAVEONNEWBMQN-UHFFFAOYSA-N 370.762 4.762 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1sc2cc(C)ccc2c1Cl 863027 KGQSGVXTUIXMCR-UHFFFAOYSA-N 359.834 4.902 0 40 FJAB CSc1nc(Sc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 1403688 GLZNWWNXLREWDI-UHFFFAOYSA-N 364.499 4.997 0 40 FJAB CC[C@@H](NC(=O)c1cccc(COCC(F)(F)F)c1)c1ccc(C)cc1 2794448 BHXBGITUDRRUEA-GOSISDBHSA-N 365.395 4.955 0 40 FJAB CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C 4100019 XVMYIMXBHZVAHC-KKPKCPPISA-N 369.505 4.647 0 40 FJAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CCC)C2 4144752 OGRDPAHAUWELFK-UONOGXRCSA-N 364.555 4.907 0 40 FJAB Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)[nH]c2c1 5988502 PHLDHJLJBMXCPU-AWEZNQCLSA-N 368.868 4.936 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1sccc1-c1ccccc1 8342423 KXEVLTRKRGOCNS-UHFFFAOYSA-N 351.427 4.829 0 40 FJAB O=C1CC[C@@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 8750557 MEBTULKNPNITIA-CQSZACIVSA-N 361.898 4.927 0 40 FJAB CCCCSc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 8782964 ISFFJOFNLNXPLJ-UHFFFAOYSA-N 357.475 4.992 0 40 FJAB biogenic,in-vitro Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1C 10139645 KUQBRNVOOPXZAO-UHFFFAOYSA-N 361.489 4.603 0 40 FJAB COc1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 10692210 BMZZJKFKOPJMAV-NRFANRHFSA-N 370.452 4.738 0 40 FJAB biogenic Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 11614459 AIMCGNRAMZJYJL-OAQYLSRUSA-N 367.404 4.851 0 40 FJAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(F)cc1 11897533 KPAGRQLVECLJJB-MRXNPFEDSA-N 373.431 4.998 0 40 FJAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2C)cc1 11915862 SLAKMCWUPVCISH-UHFFFAOYSA-N 351.471 4.977 0 40 FJAB COc1cc(CNc2ncnc3scc(-c4ccc(C)cc4)c23)ccn1 12555609 XFRFLIDHVARKPR-UHFFFAOYSA-N 362.458 4.682 0 40 FJAB CCn1c2ccccc2c2cc(CNCc3nc4ccccc4n3C)ccc21 12579928 CFSYVTSXVHQMGA-UHFFFAOYSA-N 368.484 4.991 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3Cl)cc2)cs1 12620941 CHJIBWLRWDZMAL-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)SCc1ccc(C(=O)O)cc1 12778945 NPGWTVVKTYRJTD-ZDUSSCGKSA-N 353.443 4.679 0 40 FJAB CCCc1ccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 13569205 OEGNKPIMIHQDLA-UHFFFAOYSA-N 368.462 4.714 0 40 FJAB CCCc1ncc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cn1 19525778 MITXAXIFZZIIAZ-QGZVFWFLSA-N 372.563 4.638 0 40 FJAB COc1ccccc1OCCNc1ccc(OCCc2ccccc2)cc1 19738286 KJMLRMQJYIRPIA-UHFFFAOYSA-N 363.457 4.808 0 40 FJAB CCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20141786 HNCAWOKNPGOIMP-UHFFFAOYSA-N 365.429 4.870 0 40 FJAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1 20244044 WSNAERMGCNKDAT-JOCHJYFZSA-N 374.440 4.518 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)OC(=O)Cc3ccccc3Cl)o2)cc1 26435412 GAXOHGHUGVDHJX-ZDUSSCGKSA-N 356.809 4.545 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccc(C)cc3)n2)c1 27929513 DVBGKPVKNIKCBN-UHFFFAOYSA-N 371.893 4.867 0 40 FJAB FC(F)(F)c1ccc(CN(Cc2nc(-c3ccccc3)no2)C2CC2)cc1 32777455 UMHXESXMAAITPV-UHFFFAOYSA-N 373.378 4.920 0 40 FJAB C[C@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@H]2CCCC[C@H]12 37501964 FQIVCERLPVIKBJ-GHJWDPDVSA-N 354.263 4.629 0 40 FJAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)N(CC(F)(F)F)c1ccccn1 48313704 KIOBRQCDOINOCL-RMKNXTFCSA-N 374.284 4.709 0 40 FJAB Cc1ccc(-c2noc(CSCc3noc(-c4ccsc4)n3)n2)cc1 56243047 YJOHUAOTVAEPHU-UHFFFAOYSA-N 370.459 4.590 0 40 FJAB O=C(Cc1ccccc1Cl)N1CCC(CSCc2ccco2)CC1 85472457 NQJWEYHNTYEOTO-UHFFFAOYSA-N 363.910 4.648 0 40 FJAB NC(=S)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 98073399 DVROTYWWQWLSON-UHFFFAOYSA-N 374.465 4.682 0 40 FJAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934295 PWDNBUZSKOZXCR-ZZAVNFEKSA-N 362.554 4.815 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)ccc1Cl 222849232 QIGOINVDIZHXRQ-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)CCCC2 222956210 YZWVMCUUBMESOD-QGZVFWFLSA-N 359.469 4.975 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 223512218 WGGMAMZBYWTNQF-PXNSSMCTSA-N 355.478 4.655 0 40 FJAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)N[C@@H](C)c3ccccc3)cn2)C1 223957879 HOJNKTXBTJJAMJ-BBWFWOEESA-N 368.550 4.612 0 40 FJAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224610008 FBKCPXPTXCIAAB-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2cc(C)ccc21 408713195 NQIDYKJIVGXCOB-UHFFFAOYSA-N 374.362 4.601 0 40 FJAB O=c1c2ccc(Cl)cc2ncn1CCCOc1cccc2ccccc12 606150737 CMYPUOGKPNXKDC-UHFFFAOYSA-N 364.832 4.672 0 40 FJAB C[C@@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1cccc(-c2ccncc2)c1 672618856 APQDUGOIYSYDEL-IERDGZPVSA-N 366.892 4.829 0 40 FJAB Cc1cc(NC(=O)NCc2cnc(O)c3ccccc23)c2ccccc2c1 1671515430 JPJBYBTWDLDIFW-UHFFFAOYSA-N 357.413 4.724 0 40 FJAB O=c1[nH]cnc2c1sc1nc(-c3ccccc3)cc(-c3ccccc3)c12 888373 DWOCMQBBONKYDZ-UHFFFAOYSA-N 355.422 4.867 0 40 FJAB FC(F)Oc1ccc(-c2cn3c(n2)-c2ccccc2C3)c(OC(F)F)c1 1509446 CQMDXYBIXKDJRY-UHFFFAOYSA-N 364.298 4.782 0 40 FJAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2214101 IOEHPRGYYXDXQX-UHFFFAOYSA-N 364.832 4.774 0 40 FJAB Cn1c(NC(=O)C2CCCCC2)c(-c2ccccc2)c(=O)c2ccccc21 2339133 OWGJRYUEOGTQRJ-UHFFFAOYSA-N 360.457 4.724 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2ccccc12 2761487 XBWPXNDRBDKWRY-UHFFFAOYSA-N 369.442 4.729 0 40 FJAB Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(Br)c2)c1 2947453 YWKDQMNUTVMMPX-KRWDZBQOSA-N 362.292 4.845 0 40 FJAB COc1ccccc1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 3282107 AEPJTWSESCYJNG-UHFFFAOYSA-N 371.487 4.574 0 40 FJAB C[C@H](OC(=O)c1ccc(Cl)cc1O)C(=O)c1ccc(C(C)(C)C)cc1 3361446 XFDKQBDLHLBHFA-LBPRGKRZSA-N 360.837 4.771 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(Sc4ccc5c(c4)OCCO5)c23)C1 3458153 JLFPFOZUQQXGFR-LLVKDONJSA-N 370.499 4.739 0 40 FJAB CC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccccc1 4027160 PBQYOPSXQSMRGG-DEOSSOPVSA-N 365.517 4.952 0 40 FJAB biogenic CCc1cc2ccccc2nc1SCC(=O)c1ccc(NC(C)=O)cc1 4849258 XDICTLTXUTUACO-UHFFFAOYSA-N 364.470 4.731 0 40 FJAB CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 4869222 SNJWXHFBXFXXNN-UHFFFAOYSA-N 370.528 4.891 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)c1 4926608 XSPJLQUXEOGVPF-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB Cn1cc(NC(=O)NCCSc2c[nH]c3ccccc23)c2ccccc21 5265757 VNDIQZUHTWYUJO-UHFFFAOYSA-N 364.474 4.573 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)c(O)c1C 5343562 WITILLZABNUVRW-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB Cc1cccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 5458401 WVFQTFIFQBZSNL-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB COc1ccc(C(=O)N2CN(CCC(C)C)Cc3c2sc(C)c3C)cc1 5612024 YSLNQSIQDIIRBN-UHFFFAOYSA-N 372.534 4.840 0 40 FJAB O=C(NCc1ccccc1Cl)c1cc(-c2ccncc2)nc2ccccc12 6189909 UVNYLDRRHVTYTF-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB CC(C)CN1C(=O)S[C@H](Cc2ccccc2OCc2ccccc2)C1=O 6326135 CSFISHPTMPYAOO-LJQANCHMSA-N 369.486 4.528 0 40 FJAB O=C(CCc1nc2ccccc2o1)Nc1ccc(N2CCCCCC2)cc1 7270644 ZJEFJDPNEWRHJT-UHFFFAOYSA-N 363.461 4.780 0 40 FJAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c(F)c3)o2)c1 7775907 BOYPTVMRDRPHDC-ZDUSSCGKSA-N 371.437 4.612 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 9062840 XDPOBTKBGAULNH-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10276696 NPBZTEQZAGCKGD-CQSZACIVSA-N 365.926 4.818 0 40 FJAB COc1cccc(OCCNC(=O)CC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1 12402566 UGJGIKFXVGAJHU-SVIALIIXSA-N 371.521 4.577 0 40 FJAB COc1ccc(Oc2cc(NC(=O)C[C@H]3C=CCC3)ccc2OC)cc1 12674576 FNNXUMFDGHHINS-HNNXBMFYSA-N 353.418 4.791 0 40 FJAB CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 12812626 ZBTGKYKDWWHYQJ-HNNXBMFYSA-N 365.926 4.588 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(OC(F)F)c1 14117190 FMSMTXYYJZXXRW-LLVKDONJSA-N 362.401 4.731 0 40 FJAB Cc1ccc(OCCCC(=O)NCCSCc2cccc(C)c2)cc1 14396702 PFKQRTVIWGBFSJ-UHFFFAOYSA-N 357.519 4.512 0 40 FJAB Cc1ccc(C)c(-n2ncc3c(N(Cc4ccccc4)C(C)C)ncnc32)c1 15880908 XLBGVVONEQHWHO-UHFFFAOYSA-N 371.488 4.847 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)NCCc1ccc(C(F)(F)F)cc1 17918757 FIICIVCZVHPPHX-UHFFFAOYSA-N 374.362 4.641 0 40 FJAB Fc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19823245 OLXQIXDJQZRXNI-UHFFFAOYSA-N 360.476 4.733 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(Cl)cc1 21787151 SZQPNWSOBJTBNZ-LJQANCHMSA-N 367.880 4.812 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(Cl)c2C)cc1 24769904 XAIPNNPAMIMWPU-UHFFFAOYSA-N 372.881 4.517 0 40 FJAB Cc1ccccc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28574387 DHEKTAKVDQUGSO-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622322 RTYUAQVGUHYHGL-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(CSC(F)F)o1 32770927 SHVSRCTYUSXXEL-UHFFFAOYSA-N 367.295 4.886 0 40 FJAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCCC2=CCCCC2)CC1=O 32958768 FITNPPFIGDHMPA-IEBWSBKVSA-N 368.521 4.560 0 40 FJAB Cc1ccc2nc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)[nH]c2c1 35291865 NDDLYEIMMGEMNY-UHFFFAOYSA-N 368.868 4.936 0 40 FJAB CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccccc1OC(F)F 40088373 GAQPDHKBNWOBII-CYBMUJFWSA-N 350.365 4.569 0 40 FJAB O=C(/C=C/c1cccc2cccnc12)Oc1ccc(-c2nccs2)cc1 48290535 WLNMUSFQVUESCP-DHZHZOJOSA-N 358.422 4.977 0 40 FJAB O=C(CC[C@H]1CCCO1)Nc1ccc(-c2nc3ccccc3s2)cc1 48325343 MQESRCINCLLCPE-MRXNPFEDSA-N 352.459 4.861 0 40 FJAB CSc1ccc(-c2noc(CN(Cc3ccccc3)C(C)C)n2)cc1 57427585 CXFUIQYINNGERF-UHFFFAOYSA-N 353.491 4.869 0 40 FJAB CC(C)CNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213310 DHPNYBNTVXFDEY-LJQANCHMSA-N 353.466 4.623 0 40 FJAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213497 IXCZFSKNFMMGRP-VQIMIIECSA-N 353.466 4.766 0 40 FJAB CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215401 IJQWYGMZODBDSX-SFHVURJKSA-N 359.514 4.923 0 40 FJAB O=C(c1ccccc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72348621 KDFBFQYMMPZLLE-UHFFFAOYSA-N 356.469 4.692 0 40 FJAB Cc1cc(CNc2ccc(Cl)cc2C(=O)N2[C@H](C)CCC[C@H]2C)no1 79173955 MEILMNVGNDVMLN-CHWSQXEVSA-N 361.873 4.652 0 40 FJAB CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1cccs1 89941541 NWRXYVJVABZDCB-AWEZNQCLSA-N 363.280 4.598 0 40 FJAB CCCOc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 95481396 KXAODDKIJCTFRW-MRXNPFEDSA-N 360.251 4.516 0 40 FJAB CCSc1nc2n(n1)[C@H](c1ccc(SC)cc1)C1=C(O)CCCC1=N2 102699230 YPEUQQCHLUAZQT-MRXNPFEDSA-N 372.519 4.784 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=C\CO)[C@@]4(C)CC[C@@H]32)C1 118925029 MIPBKEDUAJVNOP-PSSKJIMRSA-N 358.522 4.800 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2ccccc2SC(C)C)c1C 219654621 RJRZLJOQNYADKC-UHFFFAOYSA-N 357.475 4.925 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223083694 HKPOITAAGKHOAB-VGOFRKELSA-N 351.490 4.909 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223246294 WSJJCDRMVMMNAJ-ZHRRBRCNSA-N 351.490 4.773 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)COc1ccccc1C(C)C 223828241 IEKYROISGDIZNA-UHFFFAOYSA-N 355.478 4.507 0 40 FJAB O=C(c1cccc(C(F)(F)F)c1)N1CCS/C1=C/c1cccs1 225234174 CYJATTCCPNXKRC-GXDHUFHOSA-N 355.406 4.955 0 40 FJAB CC(C)Cn1c(SCCOc2ccccc2)nnc1-c1ccccc1 409091960 WKAQIYJCXIEWNG-UHFFFAOYSA-N 353.491 4.772 0 40 FJAB Cc1nn2c(CN3CC[C@@H]3c3ccc(Cl)cc3)c(C(C)C)nc2s1 552345347 UXMPYIJFOTZEEV-OAHLLOKOSA-N 360.914 4.823 0 40 FJAB O=C1CCc2cc(NC(=O)N3CCC[C@@H](c4ccc(F)c(F)c4)C3)ccc21 626576630 HKGZFODEBSEXGY-OAHLLOKOSA-N 370.399 4.505 0 40 FJAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2622225 ZSHSTFSHLCTNSO-UVTDQMKNSA-N 365.772 4.791 0 40 FJAB COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714064 ZHCXPZNLVRDKBI-UHFFFAOYSA-N 358.445 4.536 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)cc1 3427823 UTNQCMLHVIMQEP-UHFFFAOYSA-N 368.458 4.605 0 40 FJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)c(C)c3)C2)ccc1F 4105566 HFGJVXJGQGMAES-MRXNPFEDSA-N 368.452 4.558 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)ns2)c1 4167226 IAUZXTVFBWNCNM-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB O=C1/C(=C/c2ccccc2F)N=C(c2ccccc2)N1Cc1ccccc1 4471622 YLMDGLFXFWCBQX-QNGOZBTKSA-N 356.400 4.656 0 40 FJAB Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C(C)C)n2)c1 4782847 BLNNDCATVDARQU-UHFFFAOYSA-N 363.461 4.713 0 40 FJAB Cc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1C 6234460 BHVSODWXNLCGAO-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB COc1ccc(CN(C)c2ncnc3sc4c(c23)CCCCC4)cc1 6837047 AXZOGWMEMYRPSO-UHFFFAOYSA-N 353.491 4.605 0 40 FJAB C[C@H](Oc1ccc(F)cc1Br)C(=O)c1c[nH]c2ccccc12 7032585 AJXHJAZKUIHROL-JTQLQIEISA-N 362.198 4.720 0 40 FJAB O=C1CCCC[C@@H]1Sc1nc2ccccc2n1CCc1ccccc1 8134387 FMVKNQLRGSDOOI-FQEVSTJZSA-N 350.487 4.883 0 40 FJAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@@H]1c1cccs1 8343766 XUVLYIKSRIURLY-QGZVFWFLSA-N 353.443 4.897 0 40 FJAB CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2c(ccc4ccccc24)O3)cc1 8569497 CPWCAMVDASINJW-UHFFFAOYSA-N 354.409 4.849 0 40 FJAB Cc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)c2ccccn2)o1 8586613 LBZOEJCQHNKZCT-UHFFFAOYSA-N 364.445 4.865 0 40 FJAB C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@H]1CCCc2ccccc21 10962163 JJMSOZOVTSVMJK-YWZLYKJASA-N 362.498 4.909 0 40 FJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccc(F)cc3)c12 11246781 MJERUQLRBCKVJY-UHFFFAOYSA-N 365.339 4.729 0 40 FJAB CC(=O)Oc1cc(C)c2c(=O)c(-c3ccc4ccccc4n3)c(C)oc2c1 12601421 SFZIUOWFUAJVBF-UHFFFAOYSA-N 359.381 4.550 0 40 FJAB O=C(NCCCN1CCCCCC1)/C(=C/c1ccccc1)c1ccccc1 13673887 MSWLYBFRCVEKOE-BSYVCWPDSA-N 362.517 4.610 0 40 FJAB COc1c(C(=O)Nc2ccccc2)cc2ccccc2c1Br 14258119 XSIOWBCSMBTIOA-UHFFFAOYSA-N 356.219 4.863 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(OC)c3ncccc23)c1 15840683 XVJKBNZVGBWAOH-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2c(-c3ccccc3)nc3ncccn23)cc1 19927776 ZOSBMHYQBIHKGQ-UHFFFAOYSA-N 370.456 4.946 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(OC)cc1 20488125 VALVIKCDFCVMLI-UXHICEINSA-N 355.478 4.737 0 40 FJAB Cc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 20490798 YYVAWKSWMCBIEF-JOCHJYFZSA-N 365.860 4.933 0 40 FJAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)N1c2ccccc2C[C@@H]1C 25720228 HHGZLQRFJIYXFY-QMMMGPOBSA-N 363.310 4.889 0 40 FJAB CCc1nc2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2nc1CC 26872466 GXSXNLVGPGEGKJ-CQSZACIVSA-N 365.452 4.727 0 40 FJAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(Cl)cc1 33326257 BOAPUTCQGQRRFI-UHFFFAOYSA-N 358.850 4.557 0 40 FJAB C[C@H](NC(=O)CCc1ccsc1)c1cccc(OCc2ccccn2)c1 48369222 YTYKSZKIDWAQFU-INIZCTEOSA-N 366.486 4.532 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccccc1Cl 52410556 JDGLEXCKKAXTFC-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB O=C(/C=C/c1cccnc1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 57311634 YVROJTZUGGJULL-FOZGUINQSA-N 354.862 4.716 0 40 FJAB COc1ccc(-n2c(COc3ccc(C(C)=O)cc3)nc3ccccc32)cc1 60478481 HVRSYDLJYBVOSD-UHFFFAOYSA-N 372.424 4.816 0 40 FJAB Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H](C)Cc2c(C)noc2C)c1C 74363195 ZKEHFKQKXBJOJI-BTYIYWSLSA-N 369.509 4.776 0 40 FJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(C(C)C)cc1 76555433 NETSLJAMLRVPJG-JOCHJYFZSA-N 361.489 4.891 0 40 FJAB CN(CCc1ccncc1)c1ncnc2scc(-c3ccc(F)cc3)c12 83861131 MUYUBMWNLCQODP-UHFFFAOYSA-N 364.449 4.571 0 40 FJAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2sc(C(C)C)nc2C)c(C)c1 89614025 SVKOHIMHYNTPIT-MRXNPFEDSA-N 359.539 4.823 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 113970567 IAZWKXJQZGXEFR-WOJBJXKFSA-N 357.881 5.000 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 216423580 OAXYMUWSLYKOBI-SFHVURJKSA-N 354.494 4.551 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCc2cccc3ccccc23)ccc1Cl 222891921 QFEOHPDUQXIKIO-OAHLLOKOSA-N 353.849 4.885 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222967861 LSIOOKBAQNLQPL-GJZGRUSLSA-N 357.881 4.864 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223218164 XYQDVJMSSDMGLH-SJORKVTESA-N 351.490 4.943 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(C)c1 223989953 YZLZMMUSXOFKLC-QHCPKHFHSA-N 365.517 4.780 0 40 FJAB Cc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1Cl 224182295 LWGYXGDIKJZBJV-UHFFFAOYSA-N 367.876 4.929 0 40 FJAB Cc1ccccc1OCCNC(=O)c1ccccc1CCc1ccccc1 224279681 LKWVCBCTVRUPHJ-UHFFFAOYSA-N 359.469 4.589 0 40 FJAB CCCCCNC(=O)c1ccc(OCC)c(COc2ccccc2OC)c1 224581404 ZUXSVZCDRZXAAS-UHFFFAOYSA-N 371.477 4.593 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 225150637 QJXOCCDZQKXTAR-CVEARBPZSA-N 355.478 4.637 0 40 FJAB COC(=O)[C@H]1CC[C@H](c2nc(Cl)c3c(n2)sc2ccccc23)CC1 263584499 VCKZNVMJHXMZED-XYPYZODXSA-N 360.866 4.945 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1ccc(C(F)F)cc1 408542205 HSLQSAWQEQXWSK-UHFFFAOYSA-N 350.415 4.965 0 40 FJAB Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1ncoc1C 542231693 MHPBVNCFHRZCKK-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB O=C(O)C[C@H]1CC[C@H](c2ccc(-c3cc(C(F)(F)F)n[nH]3)cc2)CC1 914431447 YPHFQSYEKIEMNC-HAQNSBGRSA-N 352.356 4.844 0 40 FJAB in-vitro Cc1[nH]c2ccccc2c1C1CCN(C[C@H](O)[C@H](C)c2ccccc2)CC1 1307420901 SIPLIGUODNJBGL-HXOBKFHXSA-N 362.517 4.820 0 40 FJAB Cc1nc(NCc2ccc(C(=O)O)cc2)c2c(CC(C)C)csc2n1 1777522951 OQJFTFGYKRJFJQ-UHFFFAOYSA-N 355.463 4.509 0 40 FJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1F 715251 NLLRFLLSPIEXAO-UHFFFAOYSA-N 358.463 4.684 0 40 FJAB Cc1cccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c1 824899 AIOMSLPFEFOJKP-CYBMUJFWSA-N 363.697 4.595 0 40 FJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1 885683 ZGDRXOJZOPBRIJ-UHFFFAOYSA-N 355.503 4.826 0 40 FJAB biogenic CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 932656 PLXUBVZZZRSBNH-UHFFFAOYSA-N 352.459 4.550 0 40 FJAB O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1nccs1 1020508 KZZUSHYBEFHWHU-UHFFFAOYSA-N 362.458 4.648 0 40 FJAB COc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCCC2)cc1OC 1080438 YTKYJHIIXFYMJO-UHFFFAOYSA-N 357.425 4.684 0 40 FJAB CCCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC 1906306 TZJXQCHONXMRCH-UHFFFAOYSA-N 361.463 4.729 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 2638853 NHUGCZFIWIPMJF-UHFFFAOYSA-N 369.465 4.781 0 40 FJAB O=C(COc1cccc(Br)c1)Nc1cccc2ccccc12 3089765 PGXIJDLWZDOANM-UHFFFAOYSA-N 356.219 4.620 0 40 FJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(F)c(F)cc1Cl 4847028 FPVJSEDJLSTFMM-UHFFFAOYSA-N 368.807 4.561 0 40 FJAB CCCCNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 5176690 NNXMWHRTBWPEFR-UHFFFAOYSA-N 374.481 4.548 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(Cl)c(Cl)c1 5249859 REBXSPRAXJFPLH-SQUSKLHYSA-N 373.283 4.631 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(Br)c(C)n2)c1 5946338 IKWWKANNPPUTBR-UHFFFAOYSA-N 363.255 4.584 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 6123832 UIARQCHCMGTZSH-UHFFFAOYSA-N 363.866 4.636 0 40 FJAB COc1ccc(OCCSc2nc(-c3ccccc3)cc(=S)[nH]2)cc1 6182019 UZHOLAGKWOZVQO-UHFFFAOYSA-N 370.499 4.986 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)cc1C 6278450 AYCBNKZOAVAFGV-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 6949667 DJGANMBMWOTJRK-UHFFFAOYSA-N 362.926 4.913 0 40 FJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1C[C@H]1C 7002992 LPQWQAJYZJOQBS-ZYHUDNBSSA-N 363.866 4.840 0 40 FJAB CCOc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1 7369171 XEOGLNCAFVHPRJ-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB O=C(c1ccccc1F)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254592 FFFAYBQSYMFLDA-UHFFFAOYSA-N 360.816 4.732 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cc(C)nc2c1cnn2C(C)C 10959022 QPMMTTPRIDZOAV-UHFFFAOYSA-N 350.466 4.698 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 12057994 QOVRUFWNHAVBJB-OAHLLOKOSA-N 366.848 4.732 0 40 FJAB COc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1OC 12409461 MDCICLXKVBKYCV-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CC(C)n1ncc2cc(NC(=O)Cc3c(Cl)cccc3Cl)cnc21 12987686 DWPFUEDOLROVIS-UHFFFAOYSA-N 363.248 4.500 0 40 FJAB Cc1cc2occ(CC(=O)OCc3cc(-c4ccco4)on3)c2cc1C 19061037 JJEQEVRDEODLIL-UHFFFAOYSA-N 351.358 4.584 0 40 FJAB Cc1cccnc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 19160386 BWIWQLLIGJVTCD-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@@H]12 19878480 WAFJRNODYIQPFV-AUVQURDESA-N 358.522 4.898 0 40 FJAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 21022494 ASOJYXQQSAUVSC-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1C 21595431 MXLSDVZDUADZOL-UHFFFAOYSA-N 362.267 4.862 0 40 FJAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)c(O)n2n1 23157141 WXHCAFHOXWTNAC-QGZVFWFLSA-N 370.522 4.504 0 40 FJAB COc1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1 27662326 YZBYWPFYIKODRI-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB C[C@H](NC(=O)CSCc1cccs1)c1ccc(C(F)(F)F)cc1 30116137 JMTJSCDQJHTLIW-NSHDSACASA-N 359.438 4.878 0 40 FJAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NC(C)(C)C 31423838 WWOGETGCSPDKOX-LLVKDONJSA-N 352.887 4.531 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(Cc1cccc2[nH]ccc12)C1CC1 32090884 SNIPUKZRQIABTR-UHFFFAOYSA-N 354.837 4.635 0 40 FJAB COc1ccc(-c2csc(-c3nnn(-c4ccc(C)cc4)c3C)n2)cc1 38651795 NIDPIMXXBPZAMP-UHFFFAOYSA-N 362.458 4.683 0 40 FJAB CN(Cc1cccc2ccccc12)C(=O)NCc1nc2ccccc2s1 42815504 XQBCFTPIGVADSG-UHFFFAOYSA-N 361.470 4.791 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 45036491 MRLGGPAKNUZADQ-MAZHCROVSA-N 370.415 4.581 0 40 FJAB CC(=O)Nc1c(C)cc(C)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 45221957 LNTIDMNALXZUEO-UHFFFAOYSA-N 354.494 4.807 0 40 FJAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)C1CCCCC1 55762294 YFEJYFJGDJWGQI-UHFFFAOYSA-N 370.320 4.738 0 40 FJAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1C(=O)c1ccccc1 72219256 KTULEDKRCCMQOX-NRFANRHFSA-N 363.505 4.748 0 40 FJAB C/C=C/c1ccc(OCCN2C(=O)C[C@H](C)Nc3ccccc32)c(CC)c1 82087110 PRBCPAVDRDJCQR-AUNFYEFLSA-N 364.489 4.898 0 40 FJAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 106707967 YRVLIDLEIGXTQN-WQRHYEAKSA-N 354.475 4.670 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(OC(C)C)c2)cc1 113970308 BDBKNGJUUQFPMZ-NRFANRHFSA-N 355.478 4.510 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 219326732 KRUDPVTYPZJKAM-NRFANRHFSA-N 373.468 4.519 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219327841 ABSPYEBVRACRHO-OALUTQOASA-N 371.452 4.710 0 40 FJAB CN(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl 222714831 WWVMJWCGOMWCIB-UHFFFAOYSA-N 354.302 4.885 0 40 FJAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 224534077 PZJBMPJPTSGALU-UHFFFAOYSA-N 364.961 4.883 0 40 FJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cccc(F)c1 225828017 PZFWPJRLZZHZFU-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225829366 FZICBKKTQMKNQS-RTBURBONSA-N 359.441 4.568 0 40 FJAB CC(C)Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 409101566 YIQLMQULJDSJLI-UHFFFAOYSA-N 358.898 4.942 0 40 FJAB CN(Cc1cccc(O)c1)C(=O)c1cc(Br)cc2ccccc12 519336085 PPCZHQMUAWKUOY-UHFFFAOYSA-N 370.246 4.580 0 40 FJAB CCN(C(=O)c1ocnc1C(F)F)[C@@H](c1ccc(C)cc1)c1cccnc1 625528148 CJXKDJLJFDBVQG-KRWDZBQOSA-N 371.387 4.567 0 40 FJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1018938 AFPDYWLRUOCPGT-LDADJPATSA-N 353.443 4.630 0 40 FJAB Cc1ccc(Oc2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 1454455 DNOTVXXDHFEZQL-ROUUACIJSA-N 353.462 4.956 0 40 FJAB COc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1499359 VOMVRKKXSHTKBS-SAPNQHFASA-N 357.453 4.937 0 40 FJAB biogenic CSc1cccc(NC(=O)OCCOc2ccc(Cl)c(C)c2)c1 1753748 RRYDBIZBTHPACT-UHFFFAOYSA-N 351.855 4.998 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)c1 2176770 SUEANTHISFKJTR-HXUWFJFHSA-N 368.477 4.583 0 40 FJAB biogenic Cc1nc2sc3c(SC(C)C)ncnc3c2c2c1COC(C)(C)C2 2260434 MGIFQDAPYFYFMI-UHFFFAOYSA-N 359.520 4.900 0 40 FJAB O=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1Cl 3254328 CGNOWWHTDQNQDH-UHFFFAOYSA-N 364.257 4.667 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1C 3370852 UZAYNWKJJYKGNJ-UHFFFAOYSA-N 351.229 4.958 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 3851670 ZYUVUSWEVDGNHU-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB biogenic CCc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685334 DLSREGMUSKUHIH-RTWAWAEBSA-N 369.472 4.722 0 40 FJAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 4949273 ZXLFIXUAIBHNAN-MKAXCIROSA-N 373.412 4.704 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCSc2ccccc21 6086283 WRJGNHFKEMZBLG-MRXNPFEDSA-N 350.443 4.617 0 40 FJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)cc1 6278067 RSGBWNPBHRTJPU-UHFFFAOYSA-N 366.852 4.577 0 40 FJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc4ccccc34)n2)cc1 6427052 OQQRKQHDDJCNOA-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 6629706 JKIYRYZDBPRSJQ-UHFFFAOYSA-N 352.478 4.964 0 40 FJAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)Nc1ccccc1F 8710010 BUZXXWNQBSCJHI-UHFFFAOYSA-N 367.449 4.755 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 9140453 DSEHEBWHZLEKCG-UHFFFAOYSA-N 353.274 4.683 0 40 FJAB Cc1cccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 12325014 QVYSRIGOHFPPLF-UHFFFAOYSA-N 370.408 4.724 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)cc1 12552604 RIRDHBWHSHMACI-UHFFFAOYSA-N 361.445 4.648 0 40 FJAB COc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1 12749024 XVHUBZRTTVNCRC-LLVKDONJSA-N 366.486 4.504 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1cccc(Cl)c1 12918359 MSMUXRRZZSUFTM-LLVKDONJSA-N 362.907 4.945 0 40 FJAB CCc1cccc(C)c1NC(=O)c1csc(COc2ccc(F)cc2)n1 13010586 AHAYCSQGYZIPJL-UHFFFAOYSA-N 370.449 4.984 0 40 FJAB Cc1nc(Nc2nc(C)c(C)s2)ncc1C(=O)Nc1ccc(Cl)cc1 13610727 XSIFDFNFMYMAAX-UHFFFAOYSA-N 373.869 4.508 0 40 FJAB CC[C@@H](Oc1ccc(-c2ccc(C)cc2)cc1)C(=O)Nc1cc(C)on1 16339179 IBCBYSYUQSMALI-LJQANCHMSA-N 350.418 4.755 0 40 FJAB COc1ccc(N(C(=O)Nc2ccc(C)cc2)C2=NCCC2)cc1Cl 16689867 CGOVFVMDRZVOGM-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB CCOC(=O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 22076226 NTVZLDCMNPVEJS-UHFFFAOYSA-N 367.420 4.595 0 40 FJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 29299666 HPUIUYOINMYDHL-UHFFFAOYSA-N 362.395 4.841 0 40 FJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cccc(F)c3)c(N)c12 32117788 UCKBFHKNNNDOHV-UHFFFAOYSA-N 369.343 4.597 0 40 FJAB CCC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 32718999 FUUIUVYYFYSUEC-OAHLLOKOSA-N 367.445 4.524 0 40 FJAB CC(C)[C@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1cccs1 39983336 RAUCFDPRAFWQTN-UGSOOPFHSA-N 373.547 4.932 0 40 FJAB CC(C)c1noc(CCCC(=O)N[C@H](c2ccccc2)C2CCCCC2)n1 40134256 HMQCWJDGTSVPCW-OAQYLSRUSA-N 369.509 4.954 0 40 FJAB C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccccc2O1 41155601 CPTROCCIZRPUGO-HNNXBMFYSA-N 374.440 4.648 0 40 FJAB CCSc1ccc(C(=O)c2ccc(I)cc2)cc1 43210164 TYDZTCCHLQMVIG-UHFFFAOYSA-N 368.239 4.634 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1Br 44843898 WZYANMWCBWAVJU-CQSZACIVSA-N 362.267 4.780 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)o2)cc1 49169892 AINPANZHPZILAB-FQEVSTJZSA-N 370.456 4.583 0 40 FJAB biogenic,in-vitro COc1ccc2nc(/C=C/c3ccc(O)c(Br)c3)sc2c1 57457750 UMUZADPHECDFCI-XVNBXDOJSA-N 362.248 4.943 0 40 FJAB C[C@H](NC(=O)CNC1(c2ccccc2)CCC1)c1cccc2ccccc12 58290978 MXJKYXCVLIEJRT-SFHVURJKSA-N 358.485 4.686 0 40 FJAB Cc1ccccc1-c1noc([C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)n1 72305365 HECVVEXXZNXVJQ-CQSZACIVSA-N 362.385 4.600 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72348608 XYBGOOLIOCHMDR-LJQANCHMSA-N 360.432 4.908 0 40 FJAB Cc1nc(C)c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)s1 73134530 ATTPPXPLTAAKPE-OAHLLOKOSA-N 360.529 4.671 0 40 FJAB COc1ccc(N(C)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 78582383 TXRARLNFTIBSAU-UHFFFAOYSA-N 350.393 4.855 0 40 FJAB CO[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1C 96105005 SLLPDJDNGFVTEG-QFIPXVFZSA-N 373.452 4.737 0 40 FJAB CCOc1ccc(CC(=O)NCc2ccccc2-c2ccsc2)cc1 96122892 YNPQHEJJTHWTFX-UHFFFAOYSA-N 351.471 4.673 0 40 FJAB COc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc3ccccc3c12 101353088 IIOGWULIWIEKML-KSFYIVLOSA-N 360.413 4.618 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219327768 ABSPYEBVRACRHO-RTBURBONSA-N 371.452 4.710 0 40 FJAB CC(C)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 223731391 OSDAWLRJSQGLCO-UHFFFAOYSA-N 358.290 4.595 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccccc2C(C)C)cc1 223828875 OBDQGAKZBCBNNU-OAQYLSRUSA-N 369.505 4.725 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)CCc2ccc(Cl)cc2)c1 225308431 NMVGBEQHCQRSFL-UHFFFAOYSA-N 359.897 4.809 0 40 FJAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)c2cccnc12 225906230 VWPBMWOQWZAECH-NRFANRHFSA-N 358.482 4.948 0 40 FJAB O=S(=O)(Nc1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 226862220 JJUNSHDYVXPGGE-UHFFFAOYSA-N 359.450 4.892 0 40 FJAB COc1ccccc1CNC(=S)c1ccccc1OCc1ccccc1 408578270 XAEHGUMTOAUNLZ-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB C[C@@H](NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12)c1ccccc1 408624123 UPLAYHVBQHISMK-QGZVFWFLSA-N 368.436 4.666 0 40 FJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1 408649711 ABGQYRGWYJDVDP-IBGZPJMESA-N 371.436 4.621 0 40 FJAB CC(C)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408750932 UGHJDLZYPFGLCO-KBPBESRZSA-N 374.531 4.724 0 40 FJAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1O 409117061 NIKOOGWIJJJNQG-UHFFFAOYSA-N 350.256 4.782 0 40 FJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccc(C)cc1 504491615 MRYHAXJYGJIWLN-JRFVFWCSSA-N 365.517 4.872 0 40 FJAB biogenic CC1(C)C[C@@H]2CN(Cc3ccccc3F)CC[C@@H]2N1c1cccc(F)c1 1615126573 LGEAIXGVQHDYNB-UTKZUKDTSA-N 356.460 4.844 0 40 FJAB Cc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1 1615156359 JCZRFVMZJATMFG-NQIIRXRSSA-N 366.480 4.654 0 40 FJAB Cc1cccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615160313 ZCBHIWSRLKBUJQ-HSZRJFAPSA-N 366.480 4.798 0 40 FJAB Cc1ccccc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342480 AHDDSNUHMJJEGN-UHFFFAOYSA-N 365.502 4.967 0 40 FJAB FC(F)(F)c1cccc(Cn2nnnc2-c2cc(Cl)cc(Cl)c2)c1 1405272 IVTQRTWROMPHFY-UHFFFAOYSA-N 373.165 4.714 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 1576346 MKKCVNJPERCQBR-BEFAXECRSA-N 369.461 4.814 0 40 FJAB CCOP(=O)(OCC)[C@H](Nc1cccc(C(=O)O)c1)c1ccccc1 1802517 KLGUKMWHCLXGFQ-KRWDZBQOSA-N 363.350 4.762 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(Cl)c3)n2N)cc1 2264136 GPWDFGKKXUKKGR-UHFFFAOYSA-N 372.925 4.902 0 40 FJAB Cc1cccc(NC(=O)c2c(NC(=O)C(C)C)sc3c2CCCC3)c1 2287703 WPMDZCQEHMHMAS-UHFFFAOYSA-N 356.491 4.782 0 40 FJAB COc1cccc(-c2nc(Oc3ccc(F)cc3)c3ccccc3n2)c1O 2372807 YDZARZCMJPHAPU-UHFFFAOYSA-N 362.360 4.942 0 40 FJAB COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F 3245649 DKRBNRCXEOQUIF-YCRREMRBSA-N 353.752 4.602 0 40 FJAB Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 3299027 FZNKOUVYHKHYBH-QFIPXVFZSA-N 374.440 4.558 0 40 FJAB Cc1ccccc1-n1nc2c(c1NC(=O)/C=C\c1ccccc1)CSC2 3893238 MFJOVTXSCNFYTQ-QXMHVHEDSA-N 361.470 4.579 0 40 FJAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1nccs1 4849507 QUPVUWZRFXXVTB-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccccc1Cl 7057545 LRHRSFDYLLUFKN-UHFFFAOYSA-N 357.862 4.732 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7079609 VQCXKPIPPDQIKL-KXBFYZLASA-N 364.489 4.809 0 40 FJAB Cc1cc(C(C)(C)C)cc(C)c1CCN1C(=O)CS[C@H]1c1cccnc1 7738028 BMYOZNAWNSQFFE-NRFANRHFSA-N 368.546 4.813 0 40 FJAB Cc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1C 7918167 ALWZMAPDVCQSPU-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(C)c1 9899987 VAUXSFVDCZAWFE-OAQYLSRUSA-N 369.461 4.789 0 40 FJAB O=C(c1ccncc1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185380 ICRCZIVBIZUHIS-MRXNPFEDSA-N 353.447 4.556 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2csc(C)n2)cc1 12613682 XNOPQKWLPQIPTM-UHFFFAOYSA-N 372.877 4.711 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cc2ccccc2o1 12763326 SOZMKBDSEIYYES-KRWDZBQOSA-N 362.473 4.910 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CN(C)C)cc1 12798959 UXXUNPJBSZFEDP-UHFFFAOYSA-N 369.852 4.617 0 40 FJAB COc1ccc(-c2noc(-c3ccc(OC)cc3)c2Br)cc1 13640879 ZQJKIDFJNMVKRV-UHFFFAOYSA-N 360.207 4.788 0 40 FJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(-n2cccc2)c1 14083790 NQTWFTHNJHPSFZ-UHFFFAOYSA-N 373.500 4.740 0 40 FJAB Fc1ccc(-c2noc(CN[C@@H](c3ccccc3)c3cccs3)n2)cc1 14164132 JXETVRCIDFIOCU-IBGZPJMESA-N 365.433 4.816 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 20111067 YBQUWPOQHJRDFA-AWEZNQCLSA-N 363.910 4.924 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 20460211 CEDSGYIXCZJAOY-HXUWFJFHSA-N 359.469 4.991 0 40 FJAB CCn1cc(C(=O)Nc2cccc(SC)c2)c(=O)c2cc(Cl)ccc21 22234912 JPTSDAMNCTXHLL-UHFFFAOYSA-N 372.877 4.649 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 22528580 PQXNGYQJNODPTB-BJMVGYQFSA-N 364.228 4.822 0 40 FJAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccccc1N1CCCC1 24190896 JNTLJWSIHSNDPW-UHFFFAOYSA-N 374.484 4.721 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c[nH]2)c1 24834770 YVPZPDCUALSXIV-HNNXBMFYSA-N 351.475 4.813 0 40 FJAB C[C@H](C1CC1)N(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 25512738 VKRHNSAUCCOQBJ-CYBMUJFWSA-N 369.852 4.656 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1C 25878806 ZJBRHZNZBWIHDT-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 27793193 RAKINUHFLFGWDX-QFIPXVFZSA-N 364.533 4.859 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1C 29716935 UAPPCRITQTUBSU-ZDUSSCGKSA-N 352.356 4.641 0 40 FJAB COc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1 33298164 LWAZLPRATOERCN-UHFFFAOYSA-N 363.442 4.768 0 40 FJAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1 33854564 MHDSTSRDXVXPTJ-SFHVURJKSA-N 372.490 4.633 0 40 FJAB OCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 34772826 GLQSMWWARAQTRK-UHFFFAOYSA-N 362.050 4.827 0 40 FJAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C)nn(-c3ccccc3)c2n1 36611672 HDNAIPLXXJGUPI-INIZCTEOSA-N 370.456 4.528 0 40 FJAB COc1ccc(F)cc1-c1csc(NC(=O)CCc2ccsc2)n1 40111324 HLOCQNNUSCKIOM-UHFFFAOYSA-N 362.451 4.591 0 40 FJAB O=C(NCCc1ccccc1)c1cc2[nH]c3c(c2cc1Cl)CCCC3 44405611 KEIRJABZGUWSSL-UHFFFAOYSA-N 352.865 4.673 0 40 FJAB Cc1ccc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)c1 67206875 VCXFXQIVQMGWAJ-UHFFFAOYSA-N 374.484 4.609 0 40 FJAB Cc1cccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 67257338 OTLYNAJUGOCGOT-UHFFFAOYSA-N 367.449 4.630 0 40 FJAB Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)c12 72304649 YYUXANNKVLKDDP-CXAGYDPISA-N 367.449 4.861 0 40 FJAB O=C(Nc1ccnn1C1CCCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 73512521 SVINIKTVGUORGD-HUUCEWRRSA-N 363.383 4.759 0 40 FJAB Cc1ccsc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)c1ccco1 89702008 QRBNTLPZHWUGDK-MRXNPFEDSA-N 354.406 4.780 0 40 FJAB Cc1ncc(/C=C/C(=O)Nc2ccc(SCc3cccnc3)cc2)s1 112231721 NMGJDEWODAPATD-CMDGGOBGSA-N 367.499 4.791 0 40 FJAB CCOc1cccc2sc(NC(=O)c3cc4cc(C)ccc4n3C)nc12 141573245 UOJAROGGSAHBHZ-UHFFFAOYSA-N 365.458 4.747 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1CCc1ccccc1 219005083 DQVNMLXUSNZQSU-FQEVSTJZSA-N 373.496 4.978 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 219513542 IUHLTYGUCCUNHD-SFHVURJKSA-N 373.452 4.940 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccccc1C(C)C 223829124 SAJJCWKXLFPPCK-HXUWFJFHSA-N 369.505 4.779 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 223837374 MOWAAQKPMPQCOF-BTYIYWSLSA-N 355.453 4.739 0 40 FJAB C[C@H](CCc1ccccc1)OC(=O)c1snnc1-c1ccc(F)cc1 223841349 GJRGULHJNBVULX-CYBMUJFWSA-N 356.422 4.522 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl 224893336 VOJKJFFIPYCPKR-LLVKDONJSA-N 373.758 4.953 0 40 FJAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 225334961 QDJNQMBLYOALPM-UHFFFAOYSA-N 351.833 4.868 0 40 FJAB O=C(c1ccccc1)n1c2c(c3cc(Br)ccc31)CCCC2 227158328 GTLFXPLUKZNWPX-UHFFFAOYSA-N 354.247 4.971 0 40 FJAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 408628946 YNFGEPWROYZEKD-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)c1 408998037 QASDTNYQZGPLSB-FKBYEOEOSA-N 371.436 4.864 0 40 FJAB CCc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C 543633661 QWWVRULMIYBVOI-UXHICEINSA-N 356.441 4.738 0 40 FJAB Cc1sc(C(=O)O)cc1CN1CCC(c2nc3ccccc3s2)CC1 583267691 DRLABDYTPFVQFT-UHFFFAOYSA-N 372.515 4.744 0 40 FJAB Cc1ccc(OCC(=O)Oc2cccc3ccccc23)c(Br)c1 673889 MKCPXYNKSFWAIR-UHFFFAOYSA-N 371.230 4.895 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccc(Cl)cc3s2)c(C)c1 683062 GCPSEGVEZVNHNF-LBPRGKRZSA-N 360.866 4.973 0 40 FJAB O=C(NCc1ccccc1)N[C@@H]1c2ccccc2CSc2ccccc21 702016 UOTAKPNQGXSUSO-OAQYLSRUSA-N 360.482 4.881 0 40 FJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cc(Cl)ccc1Cl 798478 HVCNGIQTCQTFKM-UHFFFAOYSA-N 371.223 4.746 0 40 FJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(Br)c1 862371 CBLOAXBVINRTBM-UHFFFAOYSA-N 367.246 4.687 0 40 FJAB Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1cccnc1O2 2171211 BTVAOBBQDICNNN-UHFFFAOYSA-N 350.805 4.996 0 40 FJAB CC1(C)[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@]1(C)C(=O)O 4474061 XHROHRKPVNEWHD-AVRDEDQJSA-N 367.445 4.945 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 4619670 NHPLOBWVAKWCIP-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CCCCCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887746 KDJMVGDPIDRSFZ-KSEOMHKRSA-N 350.458 4.876 0 40 FJAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 5147368 AGHLKADALXNFQY-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB Fc1ccccc1CSc1nnc(-c2cccc(Br)c2)o1 5262614 VUBNIDJVYVATAY-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB Cc1nc2ccc3nc(NC(=O)Cc4ccc(F)cc4)sc3c2s1 5268280 TUOSOCDKBHVXKK-UHFFFAOYSA-N 357.435 4.535 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(F)cc1Cl 5897849 OCZFDRBBCJXYAO-NSHDSACASA-N 359.784 4.697 0 40 FJAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3Cl)cc2s1 7242015 KWHYRWLCCPBPJS-SECBINFHSA-N 363.845 4.836 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(C)c2)n(C)c1-c1ccc(F)cc1 8080396 UGYYWYSZMHBAAX-XDOYNYLZSA-N 354.450 4.505 0 40 FJAB CCCCCCOc1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 8869482 OOVYAUWCYUYSAA-UHFFFAOYSA-N 365.433 4.948 0 40 FJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 9304675 YZWPVKPDCKEUKS-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10441637 BPUWUEBKOAUNMM-UHFFFAOYSA-N 353.462 4.732 0 40 FJAB CC(=O)N(c1nc(COC(=O)C2CCC2)cs1)c1c(C)cc(C)cc1C 10808597 IFGMRKMQAJKBTQ-UHFFFAOYSA-N 372.490 4.596 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1 12454616 HCAZLBYTWDXZTR-UHFFFAOYSA-N 353.466 4.821 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)s1 12590573 PTUUTIXMPPILLP-MAUKXSAKSA-N 372.509 4.981 0 40 FJAB O=C(NCC1(c2cccs2)CCCC1)c1ccccc1Br 13803183 PHOPSGYBJGTUPF-UHFFFAOYSA-N 364.308 4.752 0 40 FJAB C[C@@H](SC1=Nc2ccccc2CS1)c1nc2ccccc2c(=O)[nH]1 14138555 ZNOYMOACUPZLOC-LLVKDONJSA-N 353.472 4.652 0 40 FJAB COc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 14142418 OQXWAGHQLXOFKA-QGZVFWFLSA-N 360.457 4.652 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccccc3OC(F)F)n2)cc1 14376201 XHKDCTQUSYSZCM-UHFFFAOYSA-N 360.385 4.972 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(N2CCCC2=O)cc1 14663652 MPZYRVYCKBLCSQ-UHFFFAOYSA-N 370.880 4.844 0 40 FJAB Cc1ccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)cc1 15840437 YNUCKQMFHDUIKJ-UHFFFAOYSA-N 362.498 4.630 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3nsnc3c2)c1 15841310 FZAUQYHDNLHOIG-CYBMUJFWSA-N 355.463 4.529 0 40 FJAB COc1ccc(OC)c(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1 19240070 RKZBPQJQJLIQFN-KRWDZBQOSA-N 374.531 4.604 0 40 FJAB Clc1cc(Cl)c2c(c1)C=C1CCCCC[C@]1(N1CCOCC1)O2 19904334 LDMWZMZQGQGXLD-SFHVURJKSA-N 354.277 4.762 0 40 FJAB COc1ccc(-c2ccc(CN[C@H](C)[C@H](O)c3ccccc3)o2)cc1Cl 22107390 ITAYADLKRQMDPZ-SZNDQCEHSA-N 371.864 4.820 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)c(F)c1 22246181 CDUJBCNYCZUEGZ-UHFFFAOYSA-N 363.364 4.865 0 40 FJAB CCOC(=O)Nc1cccc(OCc2nc(-c3cccs3)oc2C)c1 22419519 YVPBKMRSJSRIPD-UHFFFAOYSA-N 358.419 4.859 0 40 FJAB Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)c3c(C)noc3n2)s1 23200030 DCKKMKKRMVCAKO-UHFFFAOYSA-N 363.442 4.845 0 40 FJAB Cc1nc2ccccc2nc1CSCc1cc(Cl)cc2c1OCOC2 23216430 YJEMYRCHHSQEDF-UHFFFAOYSA-N 372.877 4.892 0 40 FJAB O=c1nc(Nc2ccccc2)scc1-c1ccc(Br)cc1 28527339 BCJIVSFISRDZMB-UHFFFAOYSA-N 359.248 4.676 0 40 FJAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(C2CC2)nc2ccccc12 29168786 GZNMVXJHOOGQSI-UHFFFAOYSA-N 371.440 4.713 0 40 FJAB Cc1ccc(-c2nc(CSCC(=O)NC3CCCCC3)cs2)cc1 31411763 GNNMIOPDGQHXBZ-UHFFFAOYSA-N 360.548 4.801 0 40 FJAB CC(C)Oc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl 31721550 SBCSCXVRJLZBEL-ZHACJKMWSA-N 351.855 4.540 0 40 FJAB CC(C)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c(O)c(C(C)C)c1 32956600 FTYHWCFYPGMIOS-HNNXBMFYSA-N 369.461 4.823 0 40 FJAB Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 33500230 OLDKDQFQNMVLFT-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3)C2)c(=O)o1 36619602 REPFMDKXWWMXTP-FLVLSHQESA-N 372.424 4.672 0 40 FJAB Cc1nc2ccccc2n1CC1CCN(C(=O)c2cc3ccccc3o2)CC1 36708729 QISWNJFFTALOSM-UHFFFAOYSA-N 373.456 4.643 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 39763855 DVCQMOPAJVJILJ-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCC1 72229312 DBCKXHXYYCCBEP-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB Fc1ccc(N2CC[C@@H](CNCc3ccc4ccccc4c3)C2)cc1F 84605866 SASIKCHGROOHFK-KRWDZBQOSA-N 352.428 4.734 0 40 FJAB Cc1cc(-c2noc([C@@H]3CCCCN3)n2)cc(C)c1OCc1ccccc1 95095411 QQFQAYIPMIKJGS-IBGZPJMESA-N 363.461 4.747 0 40 FJAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2ccc(F)c(F)c2F)SC1 95472173 FGMVFNVLISUOMP-MRXNPFEDSA-N 367.396 4.840 0 40 FJAB CCOC(=O)c1c(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc2c1C 102365862 YWZFVXOUXCSUPH-DFEOGRTESA-N 366.505 4.634 0 40 FJAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105364036 IOUYXYGRBKBIAU-JSDDQIQNSA-N 361.526 4.855 0 40 FJAB biogenic Cc1ccc(-c2noc(CN(C3CC3)[C@H](C)c3ccccc3F)n2)cc1 108224136 HAMVPTLBELWFNU-OAHLLOKOSA-N 351.425 4.910 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219316757 HNPTYNGLGTVRHB-MOPGFXCFSA-N 353.462 4.571 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)CCc1ccccc1 223022793 CWDNMAFDULCYIJ-UZLBHIALSA-N 359.897 4.943 0 40 FJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223084986 YOKKZOMLSQGESY-VQTJNVASSA-N 368.550 4.769 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1Cl 224131634 PJTLQLZNSYSODN-UHFFFAOYSA-N 373.880 4.990 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1C 224431782 QJIIHRKUFWYGCC-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2cccc(C)c2C)c2ccccc2O1 225282839 AMXIYELBURZNNT-IBGZPJMESA-N 367.489 4.881 0 40 FJAB CCCCC[C@@H]1O[C@@H](OC)c2c3c(cc(O)c2[C@@H]1OC)C=CC(C)(C)O3 225420504 HSPFKRKQHGQFJG-CWFSZBLJSA-N 362.466 4.888 0 40 FJAB biogenic,in-vitro CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C)n1 225864646 GBKMTLBRYZWWMM-UHFFFAOYSA-N 368.477 4.638 0 40 FJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@@H](C)CCc2ccccc2)n1 225918641 KUAPREVKBQIADW-INIZCTEOSA-N 374.488 4.588 0 40 FJAB O=C1N[C@@H]2S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3[C@@H](c3ccc(Cl)cc3)[C@H]2S1 245204342 YTFQJULJUPEYPV-WMQQNQTNSA-N 351.924 4.736 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C=O)cc3)ccc21 255931244 YGAKFMOXHLHFHO-UHFFFAOYSA-N 372.424 4.644 0 40 FJAB Cc1sc(C(=O)O)cc1CN1CCC[C@@H](c2nc(C(C)C)cs2)C1 568064604 JOTQIRODUPZFHP-CYBMUJFWSA-N 364.536 4.714 0 40 FJAB Cc1noc2ncnc(NCc3ccc(-c4ccc(Cl)cc4)cc3F)c12 1185708318 OFGHUWJHEKVOJY-UHFFFAOYSA-N 368.799 4.998 0 40 FJAB O=C(NCc1cc(-c2ccco2)cs1)c1ccccc1C(F)(F)F 1775968121 JOHXNLBNNWKKED-UHFFFAOYSA-N 351.349 4.957 0 40 FJAB Cc1c2c(nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c13)CCCC2 1070918 AMZMRCWUDRPXQN-UHFFFAOYSA-N 356.878 4.950 0 40 FJAB COc1ccc(NC(=O)c2ccc(CSCc3ccco3)cc2)cc1 1083532 OTMPHYXCHDOVHI-UHFFFAOYSA-N 353.443 4.974 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1436778 JPEMFUDKBOTDPH-VQHVLOKHSA-N 352.217 4.663 0 40 FJAB biogenic Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CCCCC3)sc21 2413353 ZCMRKHGGNUDFDB-UHFFFAOYSA-N 353.491 4.766 0 40 FJAB CCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nnc1-c1cccs1 2627082 YXXXMOFHMDJPCT-CYBMUJFWSA-N 357.504 4.698 0 40 FJAB O=C(CSc1ccc(F)cc1)NCCc1ccc(Cl)cc1Cl 2642632 SHFPLNQIBHAIJU-UHFFFAOYSA-N 358.265 4.584 0 40 FJAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(OCc2ccccc2)cc1 3043371 SAJUTEHHUWVKOS-UHFFFAOYSA-N 360.438 4.627 0 40 FJAB CC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 3217732 XVELBUVLDUSLFI-CQSZACIVSA-N 366.244 4.669 0 40 FJAB Cc1cccc(OCCCC(=O)NCc2ccc(Cl)cc2Cl)c1 3273544 RBLMZMFFEUREJB-UHFFFAOYSA-N 352.261 4.777 0 40 FJAB c1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2)cc1 3317214 ZSYITVSRMTWVSZ-SFHVURJKSA-N 351.475 4.596 0 40 FJAB Cc1cc(Br)ccc1NC(=O)CNc1cccc2ccccc12 3403712 ZEAQJLAEOSAEQI-UHFFFAOYSA-N 369.262 4.961 0 40 FJAB c1csc(-c2nnc3sc(COc4cccc5ccccc45)nn23)c1 4939234 PUBHMQRQGXMNIH-UHFFFAOYSA-N 364.455 4.647 0 40 FJAB O=C(CNC1CCCC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5126653 KVAXVNDEYPXIKB-UHFFFAOYSA-N 370.305 4.588 0 40 FJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)/C=C/c1ccc(Cl)cc1)CC2 5427734 YQONAWRUFZOFDL-VIIAAUOXSA-N 371.864 4.516 0 40 FJAB Cc1ccccc1-c1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)o1 5434835 WXQOEJABWYOQKP-UHFFFAOYSA-N 363.442 4.810 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2c(Cl)cccc2Cl)cc1OC 5527255 YIHQHNLLKMMMSR-VQHVLOKHSA-N 352.217 4.663 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)CSc2ccc3ccccc3n2)cc1C 5626724 FZMUFKXYYRRQEW-MRXNPFEDSA-N 350.487 4.821 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Br)cc1 5705184 NJXBPFAKKXQGLP-UHFFFAOYSA-N 356.219 4.620 0 40 FJAB CCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1 5808123 XELQSWOULRGCLA-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB biogenic Cc1cc(C)cc(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6963006 JAZNYMMIYSSATL-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(-c3nccs3)cc2)ccc1Cl 7684345 QQOFSVMYGUFQQY-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB Cc1ccc(SCC(=O)OCC(=O)c2ccc(Cl)s2)cc1C 7783008 JESVLFOSFLCKAK-UHFFFAOYSA-N 354.880 4.537 0 40 FJAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(Cl)cc1Cl 7788385 TVPKLEZVCVSZJS-UHFFFAOYSA-N 367.251 4.736 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(Oc2ccccc2)c1 7923891 GGNKIJSBBNQGAE-UHFFFAOYSA-N 372.424 4.858 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3F)ccc21 9164828 JACRZLQBORQIRB-UHFFFAOYSA-N 372.415 4.542 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 10216979 KCAXFRMKDSHDJD-UHFFFAOYSA-N 371.458 4.700 0 40 FJAB Cc1cc(-c2cnc(N[C@@H](C)c3ccccn3)nc2-c2ccoc2C)on1 12223065 CFZGKOUOHROKSF-ZDUSSCGKSA-N 361.405 4.577 0 40 FJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccccc1Cl 12980339 LXZPGWYVOAPHAW-LJQANCHMSA-N 374.868 4.858 0 40 FJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)cc1 13776111 UVOCKBWJADXADZ-DNVJHFABSA-N 369.480 4.703 0 40 FJAB O=S(=O)(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1Cl 15516974 QTUJEKZTECOHJG-CYBMUJFWSA-N 374.314 4.509 0 40 FJAB Clc1ccc([C@H](Nc2ccc(Cl)cn2)n2nnc3ccccc32)cc1 19879880 LZKAONJCSJNEGK-GOSISDBHSA-N 370.243 4.792 0 40 FJAB C[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(F)cc1 20107731 KGXIVIVZEMMDNO-LLVKDONJSA-N 355.837 4.729 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 20238446 MWCUQBKNCSSKTH-AWEZNQCLSA-N 365.951 4.870 0 40 FJAB CC(C)(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20312971 ZYITYQKLGBSLRP-INIZCTEOSA-N 369.852 4.642 0 40 FJAB Cc1ccc2nc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)sc2c1 21168375 IMPPWUIVSWXEOT-UHFFFAOYSA-N 364.426 4.580 0 40 FJAB Cc1ccc(-c2nc(COC(=O)/C=C/c3ccc(Cl)s3)no2)cc1 22977360 CZOGVSQRTFWHJI-VQHVLOKHSA-N 360.822 4.517 0 40 FJAB O=C(c1ccc(SCc2cscn2)cc1)N1CCc2ccccc21 23055203 QSAXMLJTYWHEBK-UHFFFAOYSA-N 352.484 4.638 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(Cl)c3)cs2)o1 31880820 PNRRHVSYZWCNOC-GFCCVEGCSA-N 360.866 4.785 0 40 FJAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)n(Cc2ccccc2)n1 32610521 YJHQPFAPGCOXIT-FMIVXFBMSA-N 351.837 4.545 0 40 FJAB Clc1cccc(-c2nnc3sc(-c4ccsc4)nn23)c1Cl 36360129 PFDVYGNEFWFSEO-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB CC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccccc3)on2)cc1 38752318 UBEVNONMEOEQFW-UHFFFAOYSA-N 366.486 4.701 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)CSc2ccc(C)cc2)cc1 38754450 NMCYCWCOPQSUOP-HXUWFJFHSA-N 357.519 4.999 0 40 FJAB CC(C)(C)c1cc(NC(=O)c2ccnc(Cl)c2)n(Cc2ccccc2)n1 58638275 BCYLAFXBHTXBCI-UHFFFAOYSA-N 368.868 4.530 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1C 72238553 GFZDTWQELBPRIK-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB O=C(CCc1ccco1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288657 BFGZPXIDPGQJTJ-GOSISDBHSA-N 369.852 4.619 0 40 FJAB CC(C)c1ccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 72389983 FZNMSZASNLAMLN-FQEVSTJZSA-N 362.477 4.635 0 40 FJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccc(F)cc2Cl)C1 72405257 JROAKKISTBSSMS-ZDUSSCGKSA-N 361.829 4.909 0 40 FJAB Cc1cc(N[C@@H](C)c2ccc(-n3ccnc3C)cc2)nc(-c2ccccn2)n1 75106780 MZTKDUFXNIZVCJ-INIZCTEOSA-N 370.460 4.514 0 40 FJAB O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1Cc1ccccc1 89840337 QDPQWVMFNKPLIF-HSZRJFAPSA-N 357.453 4.920 0 40 FJAB C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 89905154 CUGVIBJJOJYWDL-IAQYHMDHSA-N 367.312 4.608 0 40 FJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccccc1 100156343 SPBORDQHUNLTAW-FZNQNYSPSA-N 367.474 4.502 0 40 FJAB O=C1NC(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)S1 113834212 UOJYCTVAMUDNIJ-XDHOZWIPSA-N 361.422 4.743 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)Cc1ccccc1 222967479 XZBRVASNBJXBDQ-QFIPXVFZSA-N 365.517 4.860 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2cccc3ccccc23)c1 223160343 GKXPCLGVABSCCG-INIZCTEOSA-N 363.457 4.667 0 40 FJAB C[C@@H](NC(=S)Nc1ncc(Br)cc1Cl)c1ccccc1 223954317 WXZBBWJDQAUFCY-SECBINFHSA-N 370.703 4.545 0 40 FJAB COc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225376957 UIHMFLVNOMIVKC-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB CC(C)NC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225450300 HBYNWLVGGZCJFM-UHFFFAOYSA-N 359.473 4.609 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225462790 PTNQIGFKQCPJHA-LBPRGKRZSA-N 361.898 4.677 0 40 FJAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(F)c2)cc1OCC 225750173 LVNOLFLOMZZMLH-CYBMUJFWSA-N 362.470 4.671 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 225793896 OSBHWVBZRQYPSG-UHFFFAOYSA-N 371.362 4.647 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(F)F 408543017 MTEPYDHUQNEYOT-UHFFFAOYSA-N 350.415 4.965 0 40 FJAB O=C(NC1CCCCCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408619562 JAXPIHJDXXACBO-UHFFFAOYSA-N 360.457 4.628 0 40 FJAB C=C(Cl)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(Cl)(Cl)Cl 627281287 SFEYWIAXUIENRV-UHFFFAOYSA-N 373.891 4.516 0 40 FJAB Cc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1C 1087319 FOOURPPAXDUYRY-UHFFFAOYSA-N 356.429 4.574 0 40 FJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1 1177072 ALBXJBTWBRBMQX-VAWYXSNFSA-N 372.453 4.648 0 40 FJAB COc1ccc(CNCC[C@@H](Cc2ccccc2)c2ccco2)cc1OC 1816754 VCZNVUHJXKMCHR-FQEVSTJZSA-N 365.473 4.803 0 40 FJAB biogenic COc1ccccc1CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2309630 PRRAXJNOJKLTLL-NRFANRHFSA-N 363.482 4.845 0 40 FJAB biogenic O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc(Cl)nc(Cl)c1 2581894 CXZBNIOTQJQAPQ-UHFFFAOYSA-N 352.008 4.734 0 40 FJAB Cc1ccccc1CN(C)C(=O)CSc1nc(-c2ccccc2)cs1 3353498 PJGPWFZDJFUUKZ-UHFFFAOYSA-N 368.527 4.869 0 40 FJAB CC(=O)c1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1 3417434 RGNKUHHULJPQBP-UHFFFAOYSA-N 354.258 4.927 0 40 FJAB CCc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4292013 SATNDFOLSLJURR-JTHBVZDNSA-N 355.441 4.886 0 40 FJAB COc1ccc(/C=c2\ccccc2=C(c2ccccc2)c2ccccc2)cc1 4607027 NTDZZGYLMDSVFT-HIXSDJFHSA-N 362.472 4.771 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3[C@@H](C)CCC[C@@H]3C)cc12 4996620 WATZDTPPZIVVRV-KBPBESRZSA-N 353.491 4.799 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)c3ccccc3Cl)nc12 5256561 OBJQKYYAZUXNEK-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)cc1 5781863 KVNSIQPLTPCMCB-LLVKDONJSA-N 366.244 4.740 0 40 FJAB CCCn1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)nc2ccccc21 6024451 WSTIODDFMWDBOY-UHFFFAOYSA-N 351.494 4.991 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2ccccc2)cc1 6870332 IISWBBQOGHRDBQ-UHFFFAOYSA-N 350.462 4.747 0 40 FJAB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 7078222 QOTUGCHPJCUMQV-QSTSPEIZSA-N 360.523 4.953 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Cl)c1C 7947212 URMKUIKZFUXIOU-LJQANCHMSA-N 354.837 4.551 0 40 FJAB CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1OC 8101683 ADCCURMNWKXCQS-ZDUSSCGKSA-N 363.404 4.643 0 40 FJAB COc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1Br 8325671 OXVKYKPLALVQIZ-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 10287024 ZRVOQIPRXVSALY-ZIAGYGMSSA-N 368.433 4.571 0 40 FJAB CC(C)CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12816444 BABHQIWHTXOCCS-UHFFFAOYSA-N 365.452 4.731 0 40 FJAB CCOc1ccccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12899049 ZLCOLOGGZFAONL-UHFFFAOYSA-N 366.465 4.787 0 40 FJAB CC(C)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 13040457 YSQXUNYDSZQINC-UHFFFAOYSA-N 367.445 4.573 0 40 FJAB Clc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)c(Cl)c1 15019373 XGGOBMBDQXDLKH-UHFFFAOYSA-N 350.274 4.995 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Br)s1 16778618 ZCZHAFXAUZCZDL-SNVBAGLBSA-N 356.310 4.722 0 40 FJAB COc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20042621 YIBSHWQCBXVHQW-UHFFFAOYSA-N 372.468 4.900 0 40 FJAB CC(=O)Oc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 23143612 LSYROZZCPMZMEA-MRXNPFEDSA-N 359.425 4.770 0 40 FJAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(Br)o2)cc1 24991603 BYVXAKYIUDHECG-UHFFFAOYSA-N 360.207 4.791 0 40 FJAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)Nc3cc(C)on3)ccc21 28908466 GPDODKAMHYGVKB-AWEZNQCLSA-N 362.433 4.550 0 40 FJAB C[C@H]1CCc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2C1 32721403 WNNZRCHLWBSLPX-VIFPVBQESA-N 355.290 4.756 0 40 FJAB CC1(C)COC2(CCC3=C(CC[C@@H]4C3=CC[C@]3(C)C(=O)CC[C@@H]43)C2)OC1 34649840 IJHCQNUMWSPJQN-DXIQSLLYSA-N 356.506 4.962 0 40 FJAB C/C1=C/CC[C@@](C)(O)/C=C/[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 36025404 AVRRAMZPNSQDIW-JWXATOCJSA-N 358.478 4.627 0 40 FJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)c(C)c3)c2c1 38487341 TXQGGLVJALCXAG-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccsc3)ccc1O2 38677959 AKCFKQBIETYUNT-UHFFFAOYSA-N 364.426 4.691 0 40 FJAB CC(C)N(C(=O)CSc1cc(Cl)ccc1Cl)c1cccnc1 58129385 MXTNGKZBTMOXKV-UHFFFAOYSA-N 355.290 4.922 0 40 FJAB Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 67296192 KWEWCOKJXAKFDZ-GYHWCHFESA-N 355.397 4.621 0 40 FJAB O=C(NCc1ccc(Cl)cc1Cl)C1CCC(n2cccc2)CC1 71185072 DTLQFRCZROBUPL-UHFFFAOYSA-N 351.277 4.843 0 40 FJAB Cc1ccc(NC(=S)Nc2cc(F)cc(F)c2)c(Br)c1 71761090 JIOBAHXNMJTQFS-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215501 BRJSBHIDSZRVOO-GOSISDBHSA-N 359.514 4.921 0 40 FJAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2Cc2ccccc2)n1 72359927 DTWPXMSYYIBMRD-GOSISDBHSA-N 365.506 4.631 0 40 FJAB Cc1ccc([C@@H]2CCCC[C@H]2OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 75141119 QNKUHKHARISKGP-FBBABVLZSA-N 363.457 4.690 0 40 FJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nc(-c3ccccc3)cs1)CC2=O 100776078 FDXYOSKZQITBDY-WOJBJXKFSA-N 354.475 4.534 0 40 FJAB C[C@H]1CCc2ccccc2N1C(=O)c1cc(C2CC2)nn1-c1ccccc1 102707590 GGZWFKORSJOOAW-INIZCTEOSA-N 357.457 4.731 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 113970346 OHXMFYHUWDSQQO-OAQYLSRUSA-N 355.478 4.564 0 40 FJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(Cl)cc1 222942604 UXWLEJYACHQNKV-SNVBAGLBSA-N 350.643 4.694 0 40 FJAB CC(C)Sc1nnc(NC(=O)c2ccccc2SC(C)C)s1 223839462 MKLHINXJKZFHRM-UHFFFAOYSA-N 353.538 4.791 0 40 FJAB COC(=O)[C@@H]1C=C2C=C[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 253618107 RFEZQMLLKZHKAY-NCJOZWCVSA-N 356.506 4.720 0 40 FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 408706379 ISYOSYNQRCAUFY-KRWDZBQOSA-N 371.546 4.968 0 40 FJAB CC(=O)Nc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409306354 ZOSJPTPYGZKASQ-CXUHLZMHSA-N 372.833 4.539 0 40 FJAB CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c(O)c1 644132893 WIVNPYOYGWVMQZ-QGZVFWFLSA-N 369.465 4.534 0 40 FJAB O=C(O[C@H](c1ccc2c(c1)OCO2)c1nccc2ccccc12)c1ccco1 945401 WJEKXBHUOGFVMV-OAQYLSRUSA-N 373.364 4.503 0 40 FJAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(Cl)cc2)S3)cc1 957026 KLYSVQUSCAQTEI-OAHLLOKOSA-N 355.850 4.784 0 40 FJAB CCc1c(C(=O)c2ccc(OC)cc2)oc2ccc3c(C)cc(=O)oc3c12 1084302 MEJCJCJILAHYCM-UHFFFAOYSA-N 362.381 4.650 0 40 FJAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1 1225231 SHGFPKFNCSFJFF-UVTDQMKNSA-N 360.232 4.690 0 40 FJAB COc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 1364532 KXWRYDNNYSNTFC-UHFFFAOYSA-N 351.475 4.505 0 40 FJAB COc1ccc2nc(NC(=O)Cc3coc4cc(C)ccc34)sc2c1 3479257 ZCWIMGBETOEHSJ-UHFFFAOYSA-N 352.415 4.541 0 40 FJAB O=C(Nc1ccccc1)O[C@H]1CC=CC=C[C@H]1OC(=O)Nc1ccccc1 3848111 LGRYHKCLPWYIOH-MOPGFXCFSA-N 364.401 4.737 0 40 FJAB biogenic O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cccc(F)c1 4072333 VRDIMRSGELHERI-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB O=C(CSc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 4108474 OFPFFISMRFARCI-UHFFFAOYSA-N 350.365 4.918 0 40 FJAB O=C(CCOc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 7736807 GREYXWKMLXSSEY-HXUWFJFHSA-N 355.434 4.562 0 40 FJAB Cc1cccc2sc(NC(=O)c3cc(F)ccc3Br)nc12 7808215 RYBDHMNYYKJVNX-UHFFFAOYSA-N 365.227 4.759 0 40 FJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 7928680 REVCBLJDSOLHLZ-KRWDZBQOSA-N 365.473 4.641 0 40 FJAB S=C(Nc1cccc(Br)c1)N[C@@H]1CCCc2ccccc21 8104692 ODAKPUJSUUGTIF-MRXNPFEDSA-N 361.308 4.813 0 40 FJAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCCC1 9307354 OXHUHAJFCZTCJQ-UHFFFAOYSA-N 354.494 4.546 0 40 FJAB c1nc(Nc2ccc3c(c2)OCCCO3)c2c3c(sc2n1)CCCCC3 9588119 FZHRICSPBVJHJO-UHFFFAOYSA-N 367.474 4.865 0 40 FJAB Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)C(C)C)nc12 10020912 DQXQPIQJYNSRAK-UHFFFAOYSA-N 359.882 4.842 0 40 FJAB Cc1ccc(C)c(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 10826293 SSWHTPIEBRLRGJ-OAQYLSRUSA-N 350.487 4.683 0 40 FJAB CC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(Cl)cc1 10849325 AQAQQKHAEURORR-KRWDZBQOSA-N 356.857 4.547 0 40 FJAB Fc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccccn3)no2)cc1 12143945 PRIIDKFDYUIBCQ-HXUWFJFHSA-N 351.425 4.993 0 40 FJAB O=C(Nc1ccc(F)cc1)C1=Cc2cc(Br)ccc2OC=C1 12274600 WSDZKVLNEUQSDN-UHFFFAOYSA-N 360.182 4.516 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12912628 CMHNVUKPLHOIBM-UHFFFAOYSA-N 367.399 4.590 0 40 FJAB CN(C(=O)CCCc1nc2ccccc2s1)[C@@H]1CCc2ccccc21 12998009 KIPKNVVKOIVYFR-GOSISDBHSA-N 350.487 4.765 0 40 FJAB O=C(Nc1cccc(C2SCCS2)c1)c1ccc2c(c1)OCCCO2 13003175 XQZVBKPAGJNPGR-UHFFFAOYSA-N 373.499 4.579 0 40 FJAB Fc1ccc(/N=c2\scc(-c3ccccc3F)n2C[C@@H]2CCCO2)cc1 15978018 VPODHYLLGHUTSJ-YZNZPZSRSA-N 372.440 4.906 0 40 FJAB COc1ccccc1CCNC(=O)c1sc2cc(F)ccc2c1Cl 16494704 XGYUITQIHJOBKB-UHFFFAOYSA-N 363.841 4.675 0 40 FJAB CN1C(=S)S[C@@H](c2ccc(F)cc2)N(C)[C@H]1c1ccc(F)cc1 16689675 CLPGBRILSIFVJQ-CVEARBPZSA-N 350.459 4.558 0 40 FJAB Cc1ccc(-c2nnc(C3CCN(CCc4ccc(F)cc4)CC3)o2)s1 19217821 LBUHKGRYEHQXBH-UHFFFAOYSA-N 371.481 4.668 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1 21600211 JMYIRHVLLVPBRN-AWEZNQCLSA-N 371.893 4.704 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@H](C)c1ccccc1 22245705 ZKKQNGGNJACNDZ-GFCCVEGCSA-N 355.438 4.825 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC 23054069 OSNJBVYUQJYVNF-IBGZPJMESA-N 355.478 4.540 0 40 FJAB Clc1ccc(-c2nc(CSc3ncnc4ccccc34)no2)cc1 28187395 BJZBWVRDKISEHK-UHFFFAOYSA-N 354.822 4.626 0 40 FJAB O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccccc2F)CC1 39755143 MWJIHFAOOMJPCR-UHFFFAOYSA-N 362.448 4.830 0 40 FJAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 39918219 DKJPITTXINOTEH-INIZCTEOSA-N 370.880 4.674 0 40 FJAB O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 40117348 HWXTUHBWXGVFGC-NHJHPMQKSA-N 357.469 4.569 0 40 FJAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)C(C)(C)C)c(C)c3s2)n1 72228549 JYPFXQZNOPUCNM-UHFFFAOYSA-N 356.495 4.700 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2C)c1 96266362 YVQMKGUFIIQARZ-UHFFFAOYSA-N 368.440 4.710 0 40 FJAB COc1ccc(-c2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 199412924 RBVZHHWEHBEHSF-UHFFFAOYSA-N 359.404 4.808 0 40 FJAB C[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)CC(=O)NC1CCCCC1 199426387 GUFOJMYXDZLPLG-GFCCVEGCSA-N 371.308 4.797 0 40 FJAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 222738236 MTLLFKIGZXMYTO-SFHVURJKSA-N 369.505 4.643 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCOC2CCCCC2)c1 225224475 YCLNDOBXJORUKS-GOSISDBHSA-N 361.526 4.741 0 40 FJAB CN(c1c(Br)cc(N)cc1Br)C1CCCCC1 226316863 JCKIECNHLSRWNJ-UHFFFAOYSA-N 362.109 4.563 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)cc1 408767958 ASUVEERFFZNEIU-FNGUVFISSA-N 368.502 4.636 0 40 FJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SC(C)C)=N1 408988698 IXDHUEOFUHBTDN-IBGZPJMESA-N 365.502 4.741 0 40 FJAB CCN(Cc1nnc(-c2ccccc2OC)o1)c1cccc2ccccc12 1327865325 PZCFPGPPPJQMQI-UHFFFAOYSA-N 359.429 4.925 0 40 FJAB O=C(Nc1ccc(-c2nc3ccncc3[nH]2)cc1)c1sccc1Cl 1539494191 AOBDAKAKLBDLON-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB CC(=O)COc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 957161 ITFUQRAJGRITQY-UHFFFAOYSA-N 372.804 4.823 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1ncnc2sc3c(c12)CCCC3 1465823 VLEJEEFGVYPXOH-UHFFFAOYSA-N 373.481 4.905 0 40 FJAB O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3 1855604 UBAIIKBHNNYSPV-UHFFFAOYSA-N 360.497 4.857 0 40 FJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 3261903 MCOZOWWZOYAYST-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 3400501 DOUHEZDPKPFRCB-HNNXBMFYSA-N 363.486 4.817 0 40 FJAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1 3413062 PFGLEEQOCOSJEF-UHFFFAOYSA-N 360.413 4.732 0 40 FJAB Cc1cc2nnc(SCC(=O)c3ccccc3Cl)n2c2ccccc12 3443548 JXJYSQOJMFKSDS-UHFFFAOYSA-N 367.861 4.819 0 40 FJAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)cc1 4292012 PJIVQNXLURAJMI-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4ccccc4C)c(=O)c23)s1 5352171 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COc1cccc(CNCc2ccccc2)c1OCc1ccc(F)cc1 8495399 XZPFYJRWEJLEFO-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB COc1cc(Cl)c(C)cc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1 9254523 RJWAALLGESYYMU-GFCCVEGCSA-N 367.276 4.600 0 40 FJAB CN(C)C(=O)[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 9513671 YVGMASWFNZJFPC-QGZVFWFLSA-N 372.877 4.917 0 40 FJAB CCN(CC)Cc1ccccc1CNC(=O)c1cccc(Cl)c1Cl 12917078 HHYPGVSNBKJOCJ-UHFFFAOYSA-N 365.304 4.765 0 40 FJAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1 13012949 YJCZXKMTEJEKBM-UHFFFAOYSA-N 374.278 4.922 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 13059476 YZIFAIUAYPNAFT-CMDGGOBGSA-N 369.852 4.918 0 40 FJAB Cc1c(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)oc2ccccc12 15017821 BWZRSUFGMPRJNB-HNNXBMFYSA-N 370.246 4.806 0 40 FJAB O=C1C[C@@H](c2cccs2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082155 PRKBAVPDRQODDQ-NSHDSACASA-N 373.430 4.788 0 40 FJAB C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 17309597 WFOYAGOPHNTAMD-GOSISDBHSA-N 354.457 4.785 0 40 FJAB COc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1 19819685 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Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)c1 44934886 FIHKZQWITWLVCN-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB CCCCN1Cc2cccc(NC(=O)N(C)CCCc3ccccc3)c2C1 58325880 GBTVFOQJXINEMS-UHFFFAOYSA-N 365.521 4.899 0 40 FJAB Cc1ccc(C)c2sc(NC(=O)CCC(=O)c3ccc(F)cc3)nc12 60612071 BGHBEZUPLOTPGS-UHFFFAOYSA-N 356.422 4.654 0 40 FJAB CC(C)Cn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67258745 YLUGGZFCUVNPKJ-UHFFFAOYSA-N 360.429 4.623 0 40 FJAB O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H]1Cc1cccc(F)c1 71805069 TZQHNNLKRVSTPS-VIOKTNGOSA-N 360.432 4.621 0 40 FJAB O=C(CC1CCCC1)N1CCCC[C@@H]1c1n[nH]cc1-c1cccc(F)c1 72356343 YPPGWNQRUQVBNO-LJQANCHMSA-N 355.457 4.850 0 40 FJAB O=C(Nc1cccc(CCC(F)(F)F)c1)c1cnn(-c2ccccc2)c1 79057104 RCUPXSWQLGPAJA-UHFFFAOYSA-N 359.351 4.620 0 40 FJAB CCN(C)c1cccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)c1 84760932 BYRDFSLVYVBCJU-UHFFFAOYSA-N 374.488 4.543 0 40 FJAB C[C@@H](NC1(CNCc2cnc(C3CC3)s2)CCCC1)c1ccccc1 97015939 DVRNCKAHCAFCGG-MRXNPFEDSA-N 355.551 4.774 0 40 FJAB O=C(Nc1nc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1ccco1 101042923 DTNJWCAQJQNSCX-SKLAPFLYSA-N 362.882 4.818 0 40 FJAB Cc1ccccc1N1C(=O)/C(=C\Nc2ccc(F)cc2)c2ccccc2C1=O 102981913 YIJPAAWWHJYPCV-ZHZULCJRSA-N 372.399 4.774 0 40 FJAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 113970374 SYVUTULPINRXNF-IBGZPJMESA-N 361.869 4.521 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 222998364 CCFSVNVNLDNBIM-JOCHJYFZSA-N 369.505 4.609 0 40 FJAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 224787887 FFWUJOMGBHPFKE-LBPRGKRZSA-N 365.524 4.570 0 40 FJAB CCC[C@@H](C)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225340268 ZRKYYUDOEOONQH-OAHLLOKOSA-N 365.502 4.719 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225560720 QNDSKYJUQZUWCP-UHFFFAOYSA-N 353.462 4.552 0 40 FJAB CCCCOc1ccc(C(=O)NC[C@@H](OC)c2ccc(Cl)s2)cc1 225702803 ZNNHOZIIABMVQK-OAHLLOKOSA-N 367.898 4.698 0 40 FJAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cn1 225931810 UEPUMIQKHMDLAZ-UHFFFAOYSA-N 372.468 4.544 0 40 FJAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(F)cc3)nc2c1 226282503 WWWJMDHIHXTMRU-UHFFFAOYSA-N 352.287 4.549 0 40 FJAB CO[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2o1 253473263 TXFVYRWHWLQXJQ-GOSISDBHSA-N 369.486 4.810 0 40 FJAB S=C(NCc1ccco1)c1ccccc1OCc1ccccc1Cl 408577485 SSCUHEALPMPEKM-UHFFFAOYSA-N 357.862 4.977 0 40 FJAB Cc1cc(C)cc(NC(=O)CSCc2ccccc2Br)c1 408775475 QIHZCYGYWVMYIE-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB Cc1cccc(C)c1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 409381261 LFIKMOPWYWGOSV-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 543333937 ZEDQCZORTLLQCY-SKDRFNHKSA-N 366.292 4.583 0 40 FJAB CC(C)C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)c1cccs1 663771191 ICNYZECDEWMAMN-BZSNNMDCSA-N 364.555 4.826 0 40 FJAB CC1=C[C@H](O)[C@@H](C(C)C)[C@H](OCC(=O)c2ccc(O)cc2)CC(C)=CCC1 1559556391 HDAGALPNSCGMSL-MDNUFGMLSA-N 372.505 4.670 0 40 FJAB O=C(NC[C@H]1C[C@H]1c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 1775975853 GXXKCNZNCZRKLP-WBVHZDCISA-N 352.821 4.529 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c(C)c1 1459927 LHXFVCLNRUDXJF-LJQANCHMSA-N 364.489 4.727 0 40 FJAB O=C(/C=C/c1ccco1)Oc1c(-c2ccccc2)oc2ccccc2c1=O 1788370 ZTEOXUOSOMKWJN-OUKQBFOZSA-N 358.349 4.672 0 40 FJAB CCC(CC)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3242983 YROMYFSNFCTEMH-UHFFFAOYSA-N 355.459 4.795 0 40 FJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccnc1Cl 3270368 IAUWLTOBHIDCSM-SFHVURJKSA-N 351.789 4.516 0 40 FJAB Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccs2)cc1 4059448 COWVPJPSHXLLSA-GOSISDBHSA-N 353.516 4.660 0 40 FJAB CCOc1ccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 4492418 VSTUIVZSQLCSLN-SJJOOFSGSA-N 368.304 4.880 0 40 FJAB CCCCCc1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 4614548 MVJVCJQBAUDIPO-UHFFFAOYSA-N 355.294 4.676 0 40 FJAB O=C(COc1ccccc1Cl)Nc1nc2c(Cl)cccc2s1 4727221 IYXYYMPISISAJV-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB CC(C)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 6154019 DZKQBNGZDWUMRE-UHFFFAOYSA-N 361.367 4.817 0 40 FJAB COc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2s1 6182627 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9155350 UYWPETMEWSVGLA-UHFFFAOYSA-N 357.508 4.668 0 40 FJAB Cc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(C)c1 9899985 VAUXSFVDCZAWFE-NRFANRHFSA-N 369.461 4.789 0 40 FJAB ClC1(Cl)C[C@H]1CSc1nnc(-c2ccco2)n1-c1ccccc1 12607971 OVUCDCJTHMGWLW-NSHDSACASA-N 366.273 4.813 0 40 FJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 12779167 MSDJZBYZNUJBDR-XMMPIXPASA-N 371.480 4.939 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)ccc2c1 12849317 DOXAVSADPROJGM-OAHLLOKOSA-N 351.421 4.750 0 40 FJAB COc1ccc(Br)c(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 12973443 DSVVNSPHRROKSG-NSHDSACASA-N 374.234 4.695 0 40 FJAB Sc1nnc(Cc2sc(-c3ccccc3)nc2-c2ccccc2)o1 13143973 HAYFWPDMMKMCKK-UHFFFAOYSA-N 351.456 4.740 0 40 FJAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(Oc2ccccc2)cc1 14241923 ZECVTCUWCZDQCQ-INIZCTEOSA-N 363.413 4.894 0 40 FJAB COc1cc([C@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)cc(OC)c1OC 15023756 MKYPUXHLVJDKEN-JCKWVBRZSA-N 360.475 4.920 0 40 FJAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(C(F)(F)F)c1 15694830 NLYVYHBDMKIJMP-SNVBAGLBSA-N 350.365 4.806 0 40 FJAB Cc1cc([C@H]2CCCCCN2C[C@@H](C)Cc2ccc3c(c2)OCO3)on1 19120201 OSKRHTGOPLSZQM-MAUKXSAKSA-N 356.466 4.508 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccccc1 20035932 RJQBZQVPLDKKEY-XMSQKQJNSA-N 350.506 4.800 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1C 22531399 IHQLOJRBRVHION-IBGZPJMESA-N 357.519 4.510 0 40 FJAB O=C(COc1ccccc1Cl)Nc1nc(-c2cccc(F)c2)cs1 25322002 NFJWWOPLWYMWBD-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OCC 30859821 SODURQNVUGBZEX-SFHVURJKSA-N 369.505 4.911 0 40 FJAB Cc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1-c1cccnc1 32969126 UCWFGSGHGLYVTJ-JOCHJYFZSA-N 359.473 4.639 0 40 FJAB CC(C)NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2C(C)C)C1 40133746 ZHYBILUZCWBSKG-GOSISDBHSA-N 373.541 4.702 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 40868614 VFHVNJIILVBOPP-UHFFFAOYSA-N 352.478 4.620 0 40 FJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCCCCC2)cc1 44933079 JCPUNRHGILBFIT-QHCPKHFHSA-N 362.517 4.870 0 40 FJAB O[C@@H](CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1Cl 51205124 YYBBFHLKISZYAA-LBPRGKRZSA-N 374.680 4.515 0 40 FJAB Cc1cccc(-c2ccc(C(=O)N[C@H](C)c3cc4ccccc4o3)c(=O)[nH]2)c1 71793168 VOSRBDPDRRJTDB-OAHLLOKOSA-N 372.424 4.588 0 40 FJAB CN(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)c1ccccc1 89313900 DPCKCKFJJCZHFP-GOSISDBHSA-N 359.395 4.968 0 40 FJAB Cc1ccc(NCc2ccc(C(=O)OCC(=O)c3cccs3)cc2)cc1 107930185 LFVJWUJHLTVOGQ-UHFFFAOYSA-N 365.454 4.708 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1 216382072 HNILFITULPORAQ-LJQANCHMSA-N 357.519 4.510 0 40 FJAB CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 219659322 JSNMVNLFGIHUCP-UHFFFAOYSA-N 367.474 4.509 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C 222968746 HUFSPTWFUQTWRC-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223662558 OBVMNGHNVXUYOJ-UHFFFAOYSA-N 373.518 4.716 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225847715 UCRGASAVYRRTDP-ROUUACIJSA-N 351.490 4.827 0 40 FJAB COc1ccc(Cl)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408557582 OXGLDTSINMFSII-INIZCTEOSA-N 354.258 4.781 0 40 FJAB COc1c(C)cccc1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 408628928 YHBZHTZLSZUAOU-UHFFFAOYSA-N 372.424 4.742 0 40 FJAB O=C(NCCSCc1ccco1)c1cc2c(ccc3ccccc32)o1 408630089 NLYCGGHZHZJAQC-UHFFFAOYSA-N 351.427 4.842 0 40 FJAB O=C(CN[C@H](c1ccccc1)c1cccc2ccccc12)N1CCCCC1 600616766 YXFBGJPBAMQQHN-XMMPIXPASA-N 358.485 4.531 0 40 FJAB O=C(Nc1cnc2c(F)cccc2c1)[C@@H](Cc1cccnc1)C1CCCC1 1130907531 VFDLKXMQIMFZFJ-IBGZPJMESA-N 363.436 4.757 0 40 FJAB COc1ccc([C@H](O)[C@H](CN2CCCCCC2)c2ccccc2)cc1F 1250082 DUCPMFSDYMOYQG-KNQAVFIVSA-N 357.469 4.528 0 40 FJAB C/C(Cl)=C/CSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3 1306330 GMCYNJDKLXWGLM-NJHLSQGMSA-N 369.943 4.606 0 40 FJAB CCN(CC)C(=O)[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1670734 WYSUJOBINDMPEI-QHCPKHFHSA-N 373.496 4.575 0 40 FJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)c(C)c1 4747425 ONNJBFXJAGFIQB-INIZCTEOSA-N 361.420 4.889 0 40 FJAB CC(C)c1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876569 VHOOHZXENOPEGL-UHFFFAOYSA-N 356.447 4.682 0 40 FJAB COc1ccc2nc(SCc3nc(-c4cccc(Cl)c4)no3)[nH]c2c1 6931030 USSKJFDGOGUUOY-UHFFFAOYSA-N 372.837 4.567 0 40 FJAB CC[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Br)cc1 7689232 NIOKPZVXIYECET-OAHLLOKOSA-N 354.194 4.608 0 40 FJAB Clc1ccc(Cc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 12388884 GFDGILIFOCQLLX-UHFFFAOYSA-N 365.849 4.578 0 40 FJAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 12499305 CJXAPECVTXGGGB-FRIKZZABSA-N 369.553 4.512 0 40 FJAB O=C(CCSc1nc2ccccc2s1)N[C@@H]1CCc2ccccc21 12917293 MPWIJVCXAFUKOG-OAHLLOKOSA-N 354.500 4.582 0 40 FJAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 13362009 PNWXDHMLZZSIEW-FMIVXFBMSA-N 361.426 4.912 0 40 FJAB CC(=O)N1CCc2cc(NC(=O)c3oc4c(Cl)cccc4c3C)ccc21 14140180 ZXRJISBWEYYGGT-UHFFFAOYSA-N 368.820 4.556 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 14258621 CBOVCJCNIFZIFA-UHFFFAOYSA-N 358.869 4.837 0 40 FJAB CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 15841035 HDPXGDJDJJLFOV-UHFFFAOYSA-N 354.837 4.858 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 15865037 PEQBMYRQSWVXIG-UHFFFAOYSA-N 354.475 4.633 0 40 FJAB CCc1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 22255032 JRTYAPUHWJICFR-UHFFFAOYSA-N 360.504 4.585 0 40 FJAB C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1cccnc1 22692827 PYKNSOPGHRUKTE-OAHLLOKOSA-N 366.848 4.658 0 40 FJAB CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 28610872 JRTOCRSLEGIULP-UHFFFAOYSA-N 370.449 4.570 0 40 FJAB COc1ccc2nc(NC(=O)c3csc(-c4ccsc4)n3)sc2c1 29470230 DGLGIXXMIYGAGR-UHFFFAOYSA-N 373.484 4.742 0 40 FJAB CN(CCOc1ccccc1F)C(=O)c1ccc2c(c1)Cc1ccccc1-2 32820088 ZXHJVTSUMQPSFD-UHFFFAOYSA-N 361.416 4.548 0 40 FJAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1Cl 32937437 YTXLVGRUOOEWFL-LJQANCHMSA-N 372.896 4.844 0 40 FJAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCC[C@H]1c1cccs1 40051871 YACBPGIDGRZDLN-INIZCTEOSA-N 369.515 4.594 0 40 FJAB CCCc1nc(CSc2nc3ccccc3c(=O)n2C(C)C)cs1 40063040 BTLQTORGTCRJOY-UHFFFAOYSA-N 359.520 4.679 0 40 FJAB O=C(Nc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1)c1ccco1 71761022 DANUNXDBXJKUDQ-UHFFFAOYSA-N 373.384 4.619 0 40 FJAB O=C(CC1CCCC1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380338 CGWMVMBKNAYXRT-KRWDZBQOSA-N 355.457 4.502 0 40 FJAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccccc1C(F)(F)F 79100252 SETGJJICMCBWOK-GFCCVEGCSA-N 352.356 4.506 0 40 FJAB Cc1csc(-c2cccc(NC(=O)N[C@H]3CCO[C@@H](CC(C)C)C3)c2)n1 95464604 KGUNQTBTRQBHRA-ROUUACIJSA-N 373.522 4.834 0 40 FJAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 96570035 IWBIFJLCZFJFQS-QZTJIDSGSA-N 353.805 4.588 0 40 FJAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[C@H]1CC1(Cl)Cl 97362222 KFCKLHDXPNCGQH-YPMHNXCESA-N 360.693 4.801 0 40 FJAB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]12 101585813 IFQFHZGZUDQILT-FASAQXTFSA-N 367.832 4.834 0 40 FJAB CC(=O)Nc1ccc(C)cc1OCc1cc(-c2ccc(Cl)cc2)no1 103720815 GLMBZYRLIJBFLP-UHFFFAOYSA-N 356.809 4.841 0 40 FJAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@@H](c2ccco2)CC1 207006949 UEAOTNGBPLUSJP-OAHLLOKOSA-N 355.381 4.619 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2OC(C)C)cc1 219743125 UWJUFVLCEUCHJZ-HXUWFJFHSA-N 355.478 5.000 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222801945 LYVRINWMNPEKNN-FQEVSTJZSA-N 353.849 4.967 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224435213 KWKAOOSPJNKSLU-NRFANRHFSA-N 360.457 4.777 0 40 FJAB CCc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225614809 NHKSCVNYEQTQKE-UHFFFAOYSA-N 362.539 4.998 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C)n1 225868221 JRVFYLOWSMDTHW-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB Cc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)nc1 225872773 NGLGBLHQPHFQIX-UHFFFAOYSA-N 353.535 4.930 0 40 FJAB COc1ccc(Cc2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)cc1 257264888 LWKBGBIOLKYXEO-DEOSSOPVSA-N 373.500 4.803 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccnc3Cl)cc2)c1 408619997 GCZFLNHOFPIJML-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 543333933 ZEDQCZORTLLQCY-CABZTGNLSA-N 366.292 4.583 0 40 FJAB C[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(-c2ccc(F)cc2)cc1 684278448 DHQSAFAJUVJKHR-ZHRRBRCNSA-N 370.468 4.500 0 40 FJAB Cc1ccsc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615157530 KRWHPFPEBXQRGH-ROUUACIJSA-N 372.509 4.858 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1 1848353654 FXESVQPEFNMYDM-NRFANRHFSA-N 361.445 4.502 0 40 FJAB CCC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2OC)cc1 679662 MZKACZSEKACVHH-UHFFFAOYSA-N 353.249 4.963 0 40 FJAB O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 840982 VOCNSJZJSROUTF-UHFFFAOYSA-N 364.257 4.693 0 40 FJAB COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Br 847298 BGAPFTWWALVYMA-UHFFFAOYSA-N 356.219 4.863 0 40 FJAB CCOc1nc(Nc2ccc(C(C)C)cc2)nc(NC2CCCCC2)n1 856750 QDVYRTKDVCQBHL-UHFFFAOYSA-N 355.486 4.882 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1 944541 RSOXIMBRQNJFRP-UHFFFAOYSA-N 355.459 4.729 0 40 FJAB CCc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 1336618 RNBBMXBWDLMHHI-UHFFFAOYSA-N 354.425 4.515 0 40 FJAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1c(Cl)cccc1Cl 1355076 CWEGYUIIASFFSX-UHFFFAOYSA-N 365.260 4.900 0 40 FJAB Cc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1 2394102 WKAMSHDMRHYKPJ-UHFFFAOYSA-N 358.445 4.801 0 40 FJAB CCCCN1Cc2c(sc(C)c2C)N(C(=O)c2ccc(OC)cc2)C1 2551949 WBNXKGKKHZPTTL-UHFFFAOYSA-N 358.507 4.594 0 40 FJAB CCCOc1ccc(-c2csc(NC(=O)CCC)c2C(=O)OC)cc1 2889599 JXSFCDAYSPHFBE-UHFFFAOYSA-N 361.463 4.729 0 40 FJAB CCCCc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3245846 JONFSNBILMHLQN-UHFFFAOYSA-N 351.475 4.703 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)s1 3280683 RVOUKVGUYWUBRX-UHFFFAOYSA-N 361.850 4.632 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)C1(c2cccc(F)c2)CCCC1 3309298 WVBPTZFSMOQEQC-UHFFFAOYSA-N 370.420 4.592 0 40 FJAB CSc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)c1 4517556 JVGIOGOGDGLSGQ-UHFFFAOYSA-N 365.458 4.590 0 40 FJAB O=C1C[C@H](c2nc3cc4ccccc4cc3[nH]2)CN1c1ccc(Cl)cc1 4671024 PWFUFKJLMGFBEQ-HNNXBMFYSA-N 361.832 4.890 0 40 FJAB C[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1cccs1 6220528 VUXYNDNQBGKHTD-MRXNPFEDSA-N 367.470 4.583 0 40 FJAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 6287433 JJEYJPIVLBWTAY-UHFFFAOYSA-N 359.425 4.964 0 40 FJAB Cc1cccc(CSCCNC(=O)[C@@H](C)SCc2ccccc2)c1 6504308 WZVKUHFFDIDJSJ-QGZVFWFLSA-N 359.560 4.666 0 40 FJAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2c(Cl)cccc12 6552812 RHUFOKFAVKTHLX-UHFFFAOYSA-N 352.821 4.848 0 40 FJAB C[C@@H]1Cc2ccccc2N1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7285383 UXZCIQZKQYTYME-CQSZACIVSA-N 373.481 4.603 0 40 FJAB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c1 8114240 BYHHGDIBIWQBMR-HMMYKYKNSA-N 357.409 4.923 0 40 FJAB Cc1ccc(C(=O)Nc2cccc3ncccc23)cc1NC(=O)c1ccco1 8327511 CTBCONGSWBNQHC-UHFFFAOYSA-N 371.396 4.641 0 40 FJAB Cn1c(Cc2cccs2)nnc1SCc1ccc(F)cc1Cl 9392950 XLSFWIDLZJEJRY-UHFFFAOYSA-N 353.875 4.552 0 40 FJAB O=C(CCCc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 9426489 YSXJWDQMUSTFQS-UHFFFAOYSA-N 364.489 4.711 0 40 FJAB Fc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1Cl 9486804 AFVVMVSCDQZYPT-UHFFFAOYSA-N 365.220 4.966 0 40 FJAB Cc1ccc(CC(=O)NCCSCc2c(F)cccc2Cl)cc1C 10009787 MAQILJHRGRZVHH-UHFFFAOYSA-N 365.901 4.688 0 40 FJAB Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 10156847 HVSDOGZTOSXIBK-QGZVFWFLSA-N 373.431 4.531 0 40 FJAB Cc1ccc2cc(CNc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 12088284 JFDHRGYDLAWNRQ-KRWDZBQOSA-N 361.489 4.685 0 40 FJAB Brc1ccc(CSc2nnc(-c3cccs3)o2)cc1 12248912 OPFVGHSMIGJXQZ-UHFFFAOYSA-N 353.266 4.853 0 40 FJAB CCN(C(=O)[C@@H](C)Sc1nccn1-c1cccc(F)c1)c1ccccc1 12732983 XBVKIDZRRPXAOX-OAHLLOKOSA-N 369.465 4.545 0 40 FJAB COc1ccc(-c2cc3nc(C)cc(Nc4cccc(C)c4)n3n2)cc1OC 15670888 BCPUBCSWWQTCPL-UHFFFAOYSA-N 374.444 4.774 0 40 FJAB Cc1ccc2c(Cl)cc(Cl)c(OCc3ccc(C(N)=O)cc3)c2n1 16744726 URFLCNFIEOQUHC-UHFFFAOYSA-N 361.228 4.528 0 40 FJAB Cc1nc(-c2cccc(NC(=O)COc3ccccc3Cl)c2)cs1 18769392 MANQGOUFEAICEP-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(OC)c1 20484082 HWIWKFYLCLYSIS-SFHVURJKSA-N 365.429 4.653 0 40 FJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2ccccc21 22234392 HUTUVECWKBNKMV-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CN2CCCCC2)cc1 25144551 KHOXIGNXJFLODI-MSOLQXFVSA-N 368.443 4.523 0 40 FJAB Cc1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2C)no1 26360662 UKOYATKAZBWFTH-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccc(Cl)cc1 27584060 QDRVEOKRDVSDHC-KRWDZBQOSA-N 362.926 4.749 0 40 FJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)NC1CCCCC1 28305135 VIQKMWXBHLJCNE-UHFFFAOYSA-N 367.280 4.692 0 40 FJAB Cc1ccc2c(CC(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)coc2c1C 29885217 FCATXAVBVDYQRH-KUHUBIRLSA-N 351.446 4.967 0 40 FJAB COc1ccccc1CN(Cc1noc(C(C)(C)C)n1)Cc1cccs1 32927379 CYRUJQKFDKKKPO-UHFFFAOYSA-N 371.506 4.640 0 40 FJAB COc1ccccc1NC(=O)c1cc2occc2n1Cc1ccccc1F 36359338 KYTWRPXMPNGNBM-UHFFFAOYSA-N 364.376 4.683 0 40 FJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CSCc1ccncc1 40152610 DUHAWFQETJSNPP-GFCCVEGCSA-N 369.317 4.841 0 40 FJAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCC[C@@H]1c1ccncc1 48196310 PZOGAMXIKSQZOC-MRXNPFEDSA-N 360.244 4.847 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(N(CC)CC)cc2C)cc1 57405863 KIEOFKQPKIXDDT-UHFFFAOYSA-N 369.465 4.662 0 40 FJAB COCCOc1cccc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 58378444 IOSDTHTUVHCNBN-QGZVFWFLSA-N 362.495 4.682 0 40 FJAB CCc1ccc(OCC(=O)NC2CCCCCCC2)c(Br)c1 59210970 GYCCJYANJKUADR-UHFFFAOYSA-N 368.315 4.619 0 40 FJAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2c(C)noc2C)S1 71285723 UTJCULZMIABOCM-MRXNPFEDSA-N 360.483 4.975 0 40 FJAB CC[C@H](NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1)c1ccncc1 74442083 ALCUVONTGMAHQP-FQEVSTJZSA-N 374.488 4.821 0 40 FJAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Oc2ccccc2)cc1 84556941 ORNNJUOKJGCOPK-UHFFFAOYSA-N 359.429 4.726 0 40 FJAB COC1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1 96104500 WYFWCRSBCHPGCR-IZZDOVSWSA-N 370.880 4.607 0 40 FJAB CO[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)s1 96104892 OELKWFLEUMPPTB-CYBMUJFWSA-N 358.385 4.585 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(-c4ccccc4)c3)N21 222717884 QFAVEENCTTUDON-DUXKGJEZSA-N 374.513 4.852 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1 222823260 LXIKWBYDUZYERO-JTSKRJEESA-N 351.490 4.909 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc2c(c1)CCC2 223209038 KKTGJMKENXSBAD-DLBZAZTESA-N 359.469 4.973 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223246949 SSBVFEAQCNOYNX-HTAPYJJXSA-N 351.490 4.827 0 40 FJAB COc1cccc2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)oc12 224097444 AOJVBDIEHAPZPD-UHFFFAOYSA-N 367.445 4.548 0 40 FJAB COc1ccc(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1 225110229 QEAFMNWLJYJCCW-NRFANRHFSA-N 364.397 4.562 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(C)cc1 225340884 RGBQALUYYWCUIN-VGOFRKELSA-N 351.490 4.909 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1ccc(C)cc1 225776340 MDBMTHIDAJKAEA-UHFFFAOYSA-N 351.475 4.891 0 40 FJAB Cc1cc(Cl)c2[nH]c(-c3cccc(I)c3)nc2c1 226343250 WNYNNTHAIUCQDW-UHFFFAOYSA-N 368.605 4.796 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1c(Cl)cccc1Cl 408705862 OZEAOLFEBLDDQE-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2)C1 585261327 DFOWDRHUAXXGIO-CEQLMSFQSA-N 359.416 4.843 0 40 FJAB COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1Cl 591795786 IQBFKSFMAGYOOO-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB O=C(CC1CCCCC1)c1ccccc1NC(=O)c1ccccc1C(=O)O 601009084 LVDAROPQACXYLG-UHFFFAOYSA-N 365.429 4.790 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccc(Cl)s1 670848557 CSEGNANIXPLFFR-JTQLQIEISA-N 369.920 4.655 0 40 FJAB CCOc1cc(C=O)ccc1OC(=O)Nc1ccc(Cl)c(Cl)c1 2286928 NWAXGZGWQZWUNC-UHFFFAOYSA-N 354.189 4.816 0 40 FJAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 3489009 WLIUIKPZJFDGNJ-UHFFFAOYSA-N 372.420 4.574 0 40 FJAB Cc1csc2nc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)cn12 4249073 XHMYGPMMLANAFF-UHFFFAOYSA-N 368.849 4.672 0 40 FJAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1cccc(Cl)c1 4699454 VWUOHJDSTXMVRB-UHFFFAOYSA-N 373.865 4.609 0 40 FJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1Cl 5146685 OANTXXKBDYKFQZ-UHFFFAOYSA-N 367.861 4.897 0 40 FJAB CSc1ccc(C(=O)CCC(=O)N[C@H]2CCSc3ccccc32)cc1 9754332 UUQLWQZCJOVMHI-KRWDZBQOSA-N 371.527 4.725 0 40 FJAB CC(=O)Nc1cccc(C(=O)OCc2cc3ccc(C)cc3nc2Cl)c1 10584315 LGECFZUMSKUFFU-UHFFFAOYSA-N 368.820 4.512 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccnn1Cc1cccs1 12322397 JLYKJVQFEHMUHM-BXUZGUMPSA-N 370.305 4.523 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(OC(F)F)cc1 12822220 GLQHFYRYROXMQF-UHFFFAOYSA-N 368.383 4.588 0 40 FJAB C[C@@H](Oc1ccccc1)c1nnc(SCc2ccccc2Cl)n1C 13849327 VYZRMFNGDZQJBI-CYBMUJFWSA-N 359.882 4.901 0 40 FJAB C[C@H](Sc1ccccc1Br)C(=O)Nc1ccccc1F 16549067 BXWQXQCOUOGQFM-JTQLQIEISA-N 354.244 4.708 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(-n4ccnc4)cc3)cs2)cc1 23889952 WJULPHZPBMUAJE-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(Cl)c2C)c1 24839699 GOYFQFNGTHSOPH-UHFFFAOYSA-N 372.881 4.517 0 40 FJAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1cccs1 28225407 XQRZYPXIHWEPAF-UHFFFAOYSA-N 353.834 4.969 0 40 FJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCCCC1 29471757 BKNLGPZTBUSZIG-UHFFFAOYSA-N 361.873 4.552 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccccc2)o1 29885020 OASDHNSRAPGSPX-IERDGZPVSA-N 373.452 4.906 0 40 FJAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccccc1F 36366933 BRZOSTNIDNPMCH-OAHLLOKOSA-N 365.408 4.922 0 40 FJAB O=C(NCc1cccc(COCc2ccco2)c1)c1cc(Cl)ccc1F 36395541 KKBCEALIUKPPQM-UHFFFAOYSA-N 373.811 4.719 0 40 FJAB CC(C)n1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)n1 36701804 CYIUQTFDOGGPNI-UHFFFAOYSA-N 362.458 4.578 0 40 FJAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 37385828 PGBYRHLSQIDAJT-UHFFFAOYSA-N 368.296 4.547 0 40 FJAB CCCCn1c2ccccc2n2c(=O)cc(-c3ccc(Cl)cc3)nc12 40484623 NIWLLDRNYZFNCV-UHFFFAOYSA-N 351.837 4.770 0 40 FJAB O=C(NCCc1nc2ccccc2s1)c1cc2c(s1)CCCCC2 65530114 YTQBRZZOSFUFSE-UHFFFAOYSA-N 356.516 4.599 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3C(F)(F)F)n2)s1 66413341 MACLXLXWUFXRFZ-UHFFFAOYSA-N 369.393 4.846 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2F)c(F)c1 71760565 JCFHZWBRBRVBNB-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB O=C(NCc1ccccc1F)N1Cc2ccccc2[C@@H](c2ccccc2)C1 84525614 UVCFOBNMBMZJHV-OAQYLSRUSA-N 360.432 4.683 0 40 FJAB O=C(Nc1cccc(Sc2ccc(Cl)cc2)c1)N[C@@H]1C=C[C@H](CO)C1 95963329 DILZWMKUTBCGTO-XJKSGUPXSA-N 374.893 4.550 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc(C)c1Cl 113942821 HKDIYHVUTCIHOC-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222669716 SUNUIZPPUUQPHX-UHFFFAOYSA-N 374.484 4.939 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223669569 UDVWCCNNBGNZDE-QGZVFWFLSA-N 371.546 4.968 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1F 223939795 NUHXLHOQWQOPEB-AWEZNQCLSA-N 365.901 4.850 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1Cl 224138558 UKAQOTRSQQBNRC-MRXNPFEDSA-N 371.908 4.735 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 224192846 IOAMWBOMVVWQNA-VQTJNVASSA-N 362.502 4.512 0 40 FJAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 224922312 AIDUKOIYYZHCTM-MOPGFXCFSA-N 364.533 4.972 0 40 FJAB S=C(NCCSC1CCCCC1)Nc1ccc(Br)cc1 225356605 GFVLGAVBKWDRPJ-UHFFFAOYSA-N 373.385 4.801 0 40 FJAB CC(C)Oc1cccc(CNC(=S)Nc2cccc(OC(C)C)c2)c1 225524662 RETODMIIBGEJGD-UHFFFAOYSA-N 358.507 4.748 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1 225615950 GUKSYZBHRZEVRQ-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccccc2)CCCC1 225931133 CWRKVOHFCMQUAU-UHFFFAOYSA-N 353.487 4.631 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCC1 226330803 YEAZAIVELQQWRS-UHFFFAOYSA-N 364.276 4.737 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)NC(=O)c1ccccc1N2 252484517 FYNWWGYKTRBDMI-UHFFFAOYSA-N 369.424 4.737 0 40 FJAB CCOc1ccc(NC(=O)NC(=S)c2cccc3ccccc23)cc1 408733095 WBEFIJQSGABNJW-UHFFFAOYSA-N 350.443 4.736 0 40 FJAB COc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 724662 OHWPZZCFPLNIOL-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccc(Cl)cc1 885689 LFDIFTZEIXWTHP-UHFFFAOYSA-N 359.878 4.721 0 40 FJAB COc1cccc(NC(=O)CSC(=O)c2ccc(Cl)cc2Cl)c1 950154 RWJQTPFJNIGAPK-UHFFFAOYSA-N 370.257 4.514 0 40 FJAB O=C(Nc1ccncc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 1083392 IPIZCDINTVPSOX-UHFFFAOYSA-N 363.200 4.813 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1C 1509794 SSPOYRNNNAMETF-UHFFFAOYSA-N 352.415 4.699 0 40 FJAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(OCc2ccccc2)c1 2302855 NMYCPULHYZUFOC-KGENOOAVSA-N 373.383 4.749 0 40 FJAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1Cl 3008105 WHKQDQLPRZIDSZ-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)cc1 3219697 LCDZNLNMKAZVAH-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB O=C(CSc1nnc(NC2CCCCC2)s1)c1c[nH]c2ccccc12 3286707 FXQSNCMQRRDIQM-UHFFFAOYSA-N 372.519 4.739 0 40 FJAB CCc1cc2c(SCc3cc(OC)c(OC)cc3C)ncnc2s1 3437105 KHMHLKGQLAQYPR-UHFFFAOYSA-N 360.504 4.872 0 40 FJAB C[C@@H]1Cc2ccc(/C=C/[C@]34N=C(O)CCN3c3ccccc3C4(C)C)cc2O1 3999960 CGHSSTWUDYQZCM-NRTAWSOBSA-N 374.484 4.878 0 40 FJAB biogenic O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(Cl)cc1 4166414 PPJGXMPOPQAUND-UHFFFAOYSA-N 355.821 4.983 0 40 FJAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCC3)cc1 4891675 ADETUGKIXOHAIH-UHFFFAOYSA-N 362.498 4.846 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 6200623 DLWGOXWMQPTVIL-UHFFFAOYSA-N 358.869 4.980 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Cc2coc3ccc(C(C)C)cc23)cc1 6809878 BEFFCMOSSLKVJI-UHFFFAOYSA-N 365.429 4.914 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1CCCCC1 7000009 ZCFROIRUBQWOQF-NSHDSACASA-N 374.706 4.566 0 40 FJAB Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(C)c3)sc2=S)cc1 7499923 IUUFRTGQQUFHNS-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC 7765778 YIMHVPLHLJKPIX-UHFFFAOYSA-N 361.441 4.942 0 40 FJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1cccc(Cl)c1 8185530 SOYHZKBDZFTORE-SNVBAGLBSA-N 362.813 4.893 0 40 FJAB COc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)c(OC)cc1Cl 8313558 QIORHLYYFDDBBN-UHFFFAOYSA-N 373.836 4.901 0 40 FJAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1C 8330453 JOMRNFLBFXFPED-LTGZKZEYSA-N 371.436 4.961 0 40 FJAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccccc1 8472012 MFUGAFCFZSSHPA-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB O=C(Nc1cc2c(cc1Cl)OCO2)c1csc(-c2cccs2)n1 9313973 ZEGGGOYBYXWTTQ-UHFFFAOYSA-N 364.835 4.506 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)o1 9595261 CWPUUEVQCULTTL-RSAASHCRSA-N 350.340 4.532 0 40 FJAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)c1 9935817 YIAXZBAWLNNTFR-INIZCTEOSA-N 361.420 4.889 0 40 FJAB Cc1ccoc1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235956 VTKLELLPQGKMTQ-UHFFFAOYSA-N 360.866 4.871 0 40 FJAB Cc1nc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc(OC(C)C)n1 12225645 ZTMNSDSGZBIQIP-UHFFFAOYSA-N 362.433 4.568 0 40 FJAB CSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 12621035 WHOPEQHKDKTVNK-UHFFFAOYSA-N 356.516 4.665 0 40 FJAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 12657517 LKOAALDQELDYMU-QANWUKQVSA-N 358.522 4.898 0 40 FJAB biogenic Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)ccc2o1 12882692 YNYRXCKXSUHWRA-ZDUSSCGKSA-N 352.434 4.840 0 40 FJAB C[C@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C[C@@H](C)O1 12898416 LGPSJMKEOCXTMC-PHIMTYICSA-N 354.233 4.503 0 40 FJAB COC(=O)c1sccc1Oc1ccccc1NC(=O)c1cccs1 12950990 VSGUIEDXTUWQNE-UHFFFAOYSA-N 359.428 4.641 0 40 FJAB Cc1ccc2cc(CN(C(=O)c3ccccc3C)C(C)(C)C)c(=O)[nH]c2c1 13803540 IQXKHJSQMZFKCD-UHFFFAOYSA-N 362.473 4.586 0 40 FJAB Cc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 14255301 GMACWQGCFDXPSG-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB Cc1cccc(C)c1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 15935663 KGFXKTJSXUTDNS-UHFFFAOYSA-N 354.425 4.569 0 40 FJAB C/C=C\c1ccc(OC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 17041193 KNWFSXMBHWRRMU-XQRVVYSFSA-N 355.390 4.516 0 40 FJAB Cc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 17311311 YFMWBQLAHKMYPD-UHFFFAOYSA-N 368.484 4.592 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577052 UZCVGYBFFUNDRN-UHFFFAOYSA-N 356.441 4.856 0 40 FJAB COc1ccc2cc(CN(C)[C@H](C)c3nc(C(C)(C)C)no3)ccc2c1 23904024 PLPHECHECPEGHY-CQSZACIVSA-N 353.466 4.722 0 40 FJAB Cc1sc2ncnc(NC[C@H](c3cccs3)N3CCCC3)c2c1C 24153164 FPUKWWIGZYYORY-CQSZACIVSA-N 358.536 4.619 0 40 FJAB O=C([C@H]1Cc2ccccc2S1)N1CCCc2cc(C(F)(F)F)ccc21 24472954 JJBNVGGCYXGZFM-QGZVFWFLSA-N 363.404 4.702 0 40 FJAB CCOc1ccc(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=N)cc1 26507184 VFPOEDKWPXTSRQ-JOCHJYFZSA-N 370.452 4.850 0 40 FJAB O=C(Nc1ccn(Cc2ccccc2F)n1)c1cc(Cl)ccc1Cl 27916046 PMLQTEJHZGDNGT-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 30848109 QFZNKPRIBBCPQR-HNNXBMFYSA-N 361.869 4.612 0 40 FJAB Cc1cc(C)n(-c2ccccc2NC(=O)CCc2c[nH]c3ccccc23)n1 31600553 JYLOQSBBMWWLST-UHFFFAOYSA-N 358.445 4.542 0 40 FJAB CCN(CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 48355901 RDWOWXNVWVFZKG-SFHVURJKSA-N 364.411 4.518 0 40 FJAB Oc1nc(/C(Cl)=C\c2csnn2)nc2sc(-c3ccccc3)cc12 48557472 DQOFOMPLCXKNEI-WUXMJOGZSA-N 372.862 4.652 0 40 FJAB CCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 65002171 STPVLCZAJPZPLP-LBPRGKRZSA-N 354.475 4.565 0 40 FJAB COc1ccc(CN2CCCCC[C@H]2c2ccncc2)cc1OC(F)F 95453813 YLSXNIZXOIVXGZ-KRWDZBQOSA-N 362.420 4.809 0 40 FJAB CCCCOc1cccc(C(=O)/N=c2/sc3ccc(C)c(C)c3n2C)c1 100878907 SNRIEBAAVRYZLM-QURGRASLSA-N 368.502 4.777 0 40 FJAB C[C@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccc(Cl)cc1 224941191 FTZRJMKISBFQTC-MRXNPFEDSA-N 367.876 4.867 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)COCc1cccn1-2 225379564 WHBFBTJWXJJPRP-HNNXBMFYSA-N 364.470 4.627 0 40 FJAB Cc1cccnc1Nc1cncc([C@H]2CCCN(CC3CCCCC3)C2)n1 257314950 UZGPBHLYMSANIR-IBGZPJMESA-N 365.525 4.683 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1Cl 408663712 BFMNPVUZLNRVBT-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(C)cc4)cc3cc21 575472947 APSXQMLWHYWZLM-UHFFFAOYSA-N 373.452 4.964 0 40 FJAB O=C([C@H]1CCCc2ccccc21)N1CCOc2ccc(C(F)(F)F)cc21 1532596435 YSNBONGPRKVJIX-INIZCTEOSA-N 361.363 4.551 0 40 FJAB Cc1ccccc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615118978 GKHCFSJLWQKZOJ-HSZRJFAPSA-N 366.480 4.798 0 40 FJAB Cc1nc(NC(=O)c2ccccc2)sc1C(=O)c1ccc(Cl)cc1 628426 PTPUKSAHXVLVJQ-UHFFFAOYSA-N 356.834 4.588 0 40 FJAB CN(C)c1c(Cl)c(=O)oc2c1ccc1nc(-c3ccccc3)sc12 1583561 POMFUZJCZBRCNH-UHFFFAOYSA-N 356.834 4.789 0 40 FJAB c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 2448044 NKNUTVHDFLVKFH-UHFFFAOYSA-N 353.472 4.940 0 40 FJAB Cc1ccc([C@@H]2N(c3ccc(OCc4ccccc4)cc3)C(=O)C2(F)F)o1 3256391 AJQVJXGROLNAEG-IBGZPJMESA-N 369.367 4.890 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1Cc1ccccc1 3311453 GTYWTAICQYTZCQ-ACCUITESSA-N 357.409 4.658 0 40 FJAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 6226068 HENQPQBXUKGUER-NTUHNPAUSA-N 354.214 4.823 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 6510592 FDTXCLHLUNERBA-UHFFFAOYSA-N 362.307 4.801 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc2c(s1)C[C@H](C)CC2 6606651 KPANKVJUVIKNEO-GFCCVEGCSA-N 365.502 4.614 0 40 FJAB Cc1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2n1 6968479 PUVSSXZOLVWKJM-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)c(OC)c1 7306664 OIUMAJRZBQKODT-UHFFFAOYSA-N 365.454 4.783 0 40 FJAB O=C(CN1CCSc2ccccc21)Nc1ccccc1-c1ccccc1 7493367 HBEYDIRCYHQKEZ-UHFFFAOYSA-N 360.482 4.904 0 40 FJAB O=C(Nc1cccc(F)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604326 MUOCOMAKUGCXHF-UHFFFAOYSA-N 358.372 4.567 0 40 FJAB CC(C)n1ncc2c(C(=O)N[C@H]3CCCc4ccccc43)cc(C3CC3)nc21 8344572 HOWPZZFCPPDFFF-FQEVSTJZSA-N 374.488 4.697 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cccc3)cc2)c1 8368888 HBVGRPYTYBYXHH-UHFFFAOYSA-N 350.418 4.527 0 40 FJAB CN(C)CCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8373890 XHYJEKPUGDSRHS-UHFFFAOYSA-N 367.320 4.614 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)c1nc(Cl)ccc1Cl 9504014 DTKIUDDUWVSPKC-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCc2ccccc2C1 9579334 PYTNTXBBJMTOEG-UHFFFAOYSA-N 354.409 4.693 0 40 FJAB Cc1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1C 10139643 QXZYMGNPEYSDOK-UHFFFAOYSA-N 361.489 4.603 0 40 FJAB O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)c2ccncc12 10818161 MTBBVQQMUNNRRY-UHFFFAOYSA-N 363.436 4.545 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)n1C(C)C 11917809 UBDVICKYHNQCOD-UHFFFAOYSA-N 354.450 4.980 0 40 FJAB CCNC(=O)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12275141 HSBMBVPQYDLNKV-UHFFFAOYSA-N 363.457 4.575 0 40 FJAB O=C(c1ccccc1)C1CCN(Cn2c(=S)oc3ccccc32)CC1 12544177 KUJRGJNUWNBYGA-UHFFFAOYSA-N 352.459 4.516 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 12981736 WGJCJWDSRWIXAF-FQEVSTJZSA-N 371.889 4.995 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 13325025 XVEQNBDPLMQLSL-QGZVFWFLSA-N 367.493 4.676 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSc1ccc(Cl)cc1 13709688 NAANCZOIMLFQGG-GFCCVEGCSA-N 370.301 4.669 0 40 FJAB O=c1c2c3c(sc2nc2n1CC[C@@H](c1ccccc1)S2)CCCC3 16755277 NGUCAQMDQINSTC-AWEZNQCLSA-N 354.500 4.574 0 40 FJAB Clc1ccccc1CNc1ncc(-c2ccncc2)c([C@@H]2CCCO2)n1 19349591 OTJPRGYIAYOSJW-SFHVURJKSA-N 366.852 4.656 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2ccsc2)n1 19358270 TYLVUUSFAOGBCB-UHFFFAOYSA-N 362.907 4.726 0 40 FJAB Cc1cccc(-c2n[nH]c(SCc3cccc(Br)c3)n2)c1 19927589 FYLQZQIYRJDPIG-UHFFFAOYSA-N 360.280 4.835 0 40 FJAB O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1-c1ccccc1 24437547 APUPRQMVIYFPER-UHFFFAOYSA-N 367.452 4.528 0 40 FJAB CN(C)[C@H](CNC(=O)c1sccc1-c1ccccc1)c1cccc(F)c1 32729660 SVZLADIVKNZKAZ-LJQANCHMSA-N 368.477 4.587 0 40 FJAB CC[C@H](CNC(=O)c1cccc(OCc2cscn2)c1)c1ccccc1 33232316 LJLGJYBZDRFSEO-MRXNPFEDSA-N 366.486 4.646 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c(C)c1 39755095 PCJUQIKOJJVJKZ-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Fc1ccc([C@H](Nc2nccc(C(F)(F)F)n2)c2cccs2)cc1 45026468 KHJQTRZAVOEKIJ-AWEZNQCLSA-N 353.344 4.898 0 40 FJAB CN(Cc1nc(C(C)(C)C)no1)[C@@H](c1ccccc1)c1ccc(F)cc1 48366596 NTEJMMLNKGUUIV-IBGZPJMESA-N 353.441 4.728 0 40 FJAB CCCc1noc([C@H](C)Nc2cccc(NC(=O)c3ccccc3)c2C)n1 55155033 VABYHPGYTSSLTN-HNNXBMFYSA-N 364.449 4.756 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccnc2)cc1 58141996 VLEGWLBGMSZEKY-UHFFFAOYSA-N 366.808 4.631 0 40 FJAB Cc1ccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)cc1 67260726 DVMZAWONTGMWFH-UHFFFAOYSA-N 365.436 4.673 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1C 67295344 PDDWUTUOVFYSAF-BZZOAKBMSA-N 372.424 4.805 0 40 FJAB CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215577 OLWOHLVAFVNJFR-GOSISDBHSA-N 359.514 4.923 0 40 FJAB COc1ccc(-c2nc(C)sc2C(=O)Nc2ccc3[nH]ccc3c2)cc1 72405098 YXZJJMFOBSFIFZ-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)[C@H]1CC=CCC1 85471504 CFYUFZWNYJTXJO-HNNXBMFYSA-N 355.507 4.699 0 40 FJAB C[C@H]1CCc2c(c(-c3ccccc3)nc3[nH]n(-c4ccccc4)c(=O)c23)C1 170622716 RLZOOPPACNHOTG-HNNXBMFYSA-N 355.441 4.506 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)[nH]1 224285240 ZFWOJAHZYXAFCD-VQTJNVASSA-N 362.502 4.512 0 40 FJAB O=C(Cc1ccccc1Cl)NCCSCc1c(F)cccc1Cl 225435828 VDOOSZIUHMLPAB-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)c2ccccc12 225915741 HQKQESAHDUPTDI-UHFFFAOYSA-N 369.461 4.500 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NC[C@H](O)c1ccc(-c2ccsc2)o1 390830709 MTJPRGLOIMTIBS-WHWKNOJMSA-N 373.861 4.525 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 408680559 NLJUVTWGZWTYGB-HNNXBMFYSA-N 368.658 4.899 0 40 FJAB Cc1ccccc1[C@@H](C(=O)O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 578448369 SXRPTEDGJXULEA-QAPCUYQASA-N 358.507 4.580 0 40 FJAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3csc(C)n3)cs2)nc1 1848353799 FVKNOPDTWMJPTF-MRXNPFEDSA-N 371.535 4.692 0 40 FJAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1 807589 LINXILIQBOSBJK-CYBMUJFWSA-N 355.821 4.569 0 40 FJAB CCOc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2ccco2)cc1 873730 IVVNYYJHWPXSMQ-UHFFFAOYSA-N 351.402 4.534 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 993985 UMLNKXUPYBEESH-ZDUSSCGKSA-N 357.475 4.610 0 40 FJAB S=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 1327157 WEGFGUFAFCYAFN-UHFFFAOYSA-N 370.909 4.793 0 40 FJAB CCCc1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1 1342750 XPTMXKPGNBSGRB-UHFFFAOYSA-N 371.893 4.967 0 40 FJAB COc1ccccc1/C=C(/C(=O)NCCc1ccccc1)c1ccccc1 1394587 YKBBZNAFVWKFBI-RELWKKBWSA-N 357.453 4.595 0 40 FJAB Cc1ccc(OCCn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1980742 QVUVEJXCVQLHRP-UHFFFAOYSA-N 362.454 4.512 0 40 FJAB C[C@@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1 2004088 XGWIJUOSCAQSSV-IAQYHMDHSA-N 352.887 4.981 0 40 FJAB biogenic Cc1cccc2sc(NC(=O)/C=C/c3ccc(Br)o3)nc12 2652216 FJRVXRWKUSVBEQ-SOFGYWHQSA-N 363.236 4.612 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1ccc(OC(F)F)cc1 3282590 ZWEUJQNFTQBZKI-UHFFFAOYSA-N 366.414 4.629 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(-c2ccccc2)cc1 3318561 PZSYWIYBDHFEPL-UHFFFAOYSA-N 360.409 4.922 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)c1 3501037 FCYOBNRAWNVSII-LLVKDONJSA-N 373.865 4.538 0 40 FJAB CC(C)(C)c1cc(C(=O)OCC(=O)N2CCCCCC2)cc(C(C)(C)C)c1 3515453 GJAHOEZCEBCJSJ-UHFFFAOYSA-N 373.537 4.841 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 4554765 AOJFXYKSBMUEDU-UHFFFAOYSA-N 366.505 4.813 0 40 FJAB Cc1cccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)c1 4685325 JVRWZXQWGOXMQW-HOTGVXAUSA-N 374.275 4.622 0 40 FJAB CSc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)s1 5211496 HMRNAPSWNUUGKK-UHFFFAOYSA-N 370.524 4.806 0 40 FJAB CCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 5295134 BVMINDPYJIPKEG-UHFFFAOYSA-N 373.758 4.775 0 40 FJAB Cc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1C1CCCCC1 5865382 BPUJOYITTRHQGE-CYBMUJFWSA-N 368.506 4.937 0 40 FJAB Cc1ccc(C)c(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6044269 HVNMDXRPZGYIQL-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccsc2)cc1 6679088 VRQFTEPZQBVHHR-CXAGYDPISA-N 369.515 4.714 0 40 FJAB CCOc1ccccc1-n1nnnc1SCc1cccc2ccccc12 6933759 PKEQDBLPOZOPBI-UHFFFAOYSA-N 362.458 4.507 0 40 FJAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 7224547 TWZUXZVTFSACCH-MRXNPFEDSA-N 373.456 4.751 0 40 FJAB Cc1nc2ccc(NS(=O)(=O)/C=C/c3ccc(Cl)cc3)cc2s1 7505273 DSPFUTGYIAORIY-CMDGGOBGSA-N 364.879 4.671 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1Cl 8041414 XHKXLYBXTZTJIB-AWEZNQCLSA-N 354.233 4.798 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 8086182 RQBZIYGYZZGQII-UHFFFAOYSA-N 358.413 4.594 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1cccc(OCc2ccccc2)c1 8328983 AVLUYXFURDBRKA-KRWDZBQOSA-N 361.441 4.765 0 40 FJAB Cc1ccccc1NC(=O)CCCc1nc(-c2ccccc2Cl)no1 9196267 OZXREKXGZGKXDM-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB Cc1cccc(-c2nnc3sc(-c4ccccc4Br)nn23)c1 9227237 DGGOQWGAXHBHHM-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 11715463 UOMJRWGBYSMMPV-UHFFFAOYSA-N 374.868 4.731 0 40 FJAB O=C(COc1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1ccccn1 12593327 QBLCDGAPWIRKAV-DEOSSOPVSA-N 368.436 4.519 0 40 FJAB Cc1ccc(-n2ncc(C(=O)Nc3cccc(Br)c3)c2C)cc1 12822262 PEAQYOCNXGRNPB-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(C)o1 12982956 UYZBOPRUUOLXAA-UHFFFAOYSA-N 352.415 4.696 0 40 FJAB c1ccc(-c2nc3ccccc3nc2SCc2cn3cccnc3n2)cc1 16492086 KARZUJRKDAHETD-UHFFFAOYSA-N 369.453 4.632 0 40 FJAB COc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 16505268 LPIDFWBCUUNMBP-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB COc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1OC 17198520 XJNCKCDEJNIDCT-FQEVSTJZSA-N 357.475 4.606 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccccc1Cl 19931720 DTTVXNKWZFGMBZ-IBGZPJMESA-N 359.897 4.863 0 40 FJAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20145374 LTNDVGGGVCOVSW-DHZHZOJOSA-N 365.360 4.744 0 40 FJAB COc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)sc2c1 21085819 ADKBNZCNMQEDSG-UHFFFAOYSA-N 372.515 4.961 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 22521837 XQTDKSUFVZFWNA-MRXNPFEDSA-N 372.534 4.656 0 40 FJAB CCc1ccc(C(=O)CCC(=O)Nc2cccc(Br)c2)cc1 23042782 LDDQGEUQZIRRFP-UHFFFAOYSA-N 360.251 4.613 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 23968990 QJVGYYAHKQZNMB-UHFFFAOYSA-N 354.381 4.570 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1 27916215 BDZFAHROISEUBK-UHFFFAOYSA-N 371.893 4.867 0 40 FJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cccc(F)c1 28304511 VFBCVCYYVROFIH-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCc2ccccc21 30946735 DKEPWIHUFPICPB-LJQANCHMSA-N 368.908 4.531 0 40 FJAB CCc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1 32719389 LFJDETCMKXYFTJ-APWZRJJASA-N 372.534 4.605 0 40 FJAB COc1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ccccn23)c1 35616159 GUIHMITXDQQGDB-UHFFFAOYSA-N 358.445 4.820 0 40 FJAB CCOc1c(Cl)cc(C(=O)N2CCOC23CCCCC3)cc1Cl 35671194 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Cc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCc5ccccc54)nc3C2)cc1 10156842 UJWOYSHPWJSZQY-LJQANCHMSA-N 369.468 4.700 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)COc1cc(Cl)ccc1Cl 10700985 ANZFJFCLIVQHHS-JTQLQIEISA-N 356.274 4.580 0 40 FJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1-c1ccccc1 12216906 SGBPYYUSQBIXOX-UHFFFAOYSA-N 356.425 4.954 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 14036320 YQECVVZUXUJLRL-GOSISDBHSA-N 361.441 4.980 0 40 FJAB CC(C)n1ncc2cc(NC(=O)c3cc4cc(Cl)ccc4o3)cnc21 16106803 HLZKDPRCCSKHQO-UHFFFAOYSA-N 354.797 4.664 0 40 FJAB COc1cccc(CN(C)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 16181349 RAXSXVMODURWNX-UHFFFAOYSA-N 365.404 4.899 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC2CCCC2)cc1 19874271 ACQNYUPPSLAKBX-JOCHJYFZSA-N 362.473 4.733 0 40 FJAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC)cc1 21836677 DYZRVEOUUUJPJD-FQEVSTJZSA-N 355.478 4.773 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 23975577 GPHXVGLTCBALCA-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB 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353.462 4.759 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1 223582892 HAZRZVHJSRLHPE-KRWDZBQOSA-N 365.498 4.824 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1cccc(C)c1 224109412 JJSARUREWLGMRS-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224309496 XHDDCZZLUCHIMD-INIZCTEOSA-N 363.457 4.956 0 40 FJAB Fc1ccccc1CSCCCNC(=S)Nc1ccccc1F 225611959 DNBLTFIXILZEGY-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225885593 GDHOHRBIMQKGLI-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(F)cc1 226287969 JSJXHNPIWNZXBF-UHFFFAOYSA-N 360.388 4.547 0 40 FJAB Cc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)o2)c(N)c1 226347872 QZXUZMWQGAJGHM-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB COc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3N)o2)cc1Cl 226348697 LDNXSXKZZBADHA-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 504767313 YHYUVQKJDHGHMZ-ZTFGCOKTSA-N 359.878 4.997 0 40 FJAB 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IWFFBAVKDWKRFA-UHFFFAOYSA-N 362.838 4.570 0 40 FJAB Cc1ccc(C)c(C(=O)CSc2nnc(Nc3ccccc3)s2)c1 2641436 MCJNGKLYVSDOJM-UHFFFAOYSA-N 355.488 4.874 0 40 FJAB CCCCc1nc2ccccc2c(NC(=O)CN2CCCC2)c1CCC 3077640 FTJKDSUCQAIJIY-UHFFFAOYSA-N 353.510 4.564 0 40 FJAB CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)CC1 3228802 KGADWOYUMWZKCY-UHFFFAOYSA-N 368.420 4.866 0 40 FJAB C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1 3425106 BJYGFFQXBHYFFJ-QNCMIEPLSA-N 364.670 4.993 0 40 FJAB COCCCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 4726510 XWIYHKPRCOYHRU-UHFFFAOYSA-N 359.469 4.521 0 40 FJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 4945031 FPXYTEFNUHQUPH-UHFFFAOYSA-N 350.443 4.572 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)CCc2nc3ccccc3s2)cc1C 4977233 CQDHKAXTRIWRFZ-UHFFFAOYSA-N 367.470 4.580 0 40 FJAB Cc1ccc([C@]2(CC(=O)Nc3nccs3)CCO[C@H](C(C)C)C2)cc1 5024599 LOSKEZFNDKIJNC-FXAWDEMLSA-N 358.507 4.553 0 40 FJAB O=C(Cc1cccc2ccccc12)NCC1(N2CCCCC2)CCCCC1 6083469 RIXHXFMAIULKFA-UHFFFAOYSA-N 364.533 4.687 0 40 FJAB Cc1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2ccccc2)cc1C 6831336 FJGGALFKPZKDBH-LJQANCHMSA-N 365.502 4.822 0 40 FJAB O=C(CSc1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl 7166591 SIUWIBQVLQOKAM-UHFFFAOYSA-N 364.751 4.624 0 40 FJAB CCCN1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1 7653379 FMVZLIDPXGRFBQ-UHFFFAOYSA-N 372.563 4.569 0 40 FJAB CCn1c2ccccc2c2cc(/C=C/C(=O)Nc3cccc(CO)c3)ccc21 8032096 PUAYIBBLGGZIJW-ACCUITESSA-N 370.452 4.959 0 40 FJAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)C(F)(F)F 8053895 FPVYLPFBWZFVAC-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc2c(c1)CCCC2 8267578 DADFGNMNCZDTHL-OAHLLOKOSA-N 364.514 4.985 0 40 FJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 8475431 SLRLCIVIYSFRIS-OAHLLOKOSA-N 370.408 4.578 0 40 FJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)cc1Cl 8719561 SDNKLDNPILJOSX-LJQANCHMSA-N 365.820 4.515 0 40 FJAB COc1ccc(C(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc1Cl 9205089 NBXLRVXJHYCUCY-UHFFFAOYSA-N 373.811 4.923 0 40 FJAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 10543943 SLGKOOLUTGWSFD-ZDUSSCGKSA-N 372.317 4.791 0 40 FJAB CSc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 12555671 VGBCEZPSIPFGQW-UHFFFAOYSA-N 359.451 4.648 0 40 FJAB COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(C)cc1 12609901 GGTRNRQWHMWDFI-JOCHJYFZSA-N 358.441 4.770 0 40 FJAB c1ccc(-n2c(SCCc3ccncc3)nnc2-c2cccs2)cc1 12634617 OTLZNHOUWCTNKB-UHFFFAOYSA-N 364.499 4.726 0 40 FJAB Cc1cc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c(Cl)c1 12779696 JDCUYGFEDONLDR-CYBMUJFWSA-N 371.864 4.973 0 40 FJAB O=C(c1cc(-c2csc(Nc3ccc(Cl)cc3)n2)c[nH]1)N1CCCC1 12980300 QELHBLABTHTOKB-UHFFFAOYSA-N 372.881 4.771 0 40 FJAB O=C(O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 16384335 IXUIYAJKSSTHMH-ZZXKWVIFSA-N 372.012 4.569 0 40 FJAB CCc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)O)c23)cc1 20492369 MEFKTCKICYTLQI-UHFFFAOYSA-N 357.413 4.861 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1 20610466 PCMWBZASIBETND-UHFFFAOYSA-N 374.419 4.935 0 40 FJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCO[C@@H](c2ccccc2)C1 27898703 RTMLBFVNSRGYTH-JOCHJYFZSA-N 359.425 4.693 0 40 FJAB Cc1ccccc1Cn1nc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C 28231014 VUVWDIAYOSEWKL-RTWAWAEBSA-N 359.473 4.599 0 40 FJAB CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1C 37165053 RKMIDSFZFSYJIV-CYBMUJFWSA-N 371.510 4.807 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 38754088 MQPFVNUDSIZPGX-INIZCTEOSA-N 355.478 4.639 0 40 FJAB COc1ccc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)c(OC)c1 40286151 ILIQMCFURXZMPB-HNNXBMFYSA-N 366.442 4.951 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 42798944 OXSVLALMOLJRPR-MRXNPFEDSA-N 362.477 4.522 0 40 FJAB CCCn1c2ccccc2c2nnc(SC[C@@H]3CC3(Cl)Cl)nc21 48235988 BRYBYCCNZVUWTM-JTQLQIEISA-N 367.305 4.675 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)CCCc1ccccc1 49026658 RBNGRDYNMDJNSY-UHFFFAOYSA-N 352.503 4.638 0 40 FJAB O=C(Nc1cccc(-c2nccs2)c1)N1CCC[C@@H]1c1ccncc1 56777955 SHKWTWHORPDPFT-QGZVFWFLSA-N 350.447 4.574 0 40 FJAB CCC(C)(C)NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 65402447 IOIWOYHLRSARFE-UHFFFAOYSA-N 352.887 4.602 0 40 FJAB C[C@]1(CCc2ccccc2)CCN(C(=O)c2csc(-c3ccco3)n2)C1 75107449 SFROCFAEDKLQLF-NRFANRHFSA-N 366.486 4.888 0 40 FJAB Fc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)cc1 96047190 RSWGCLZXPIODBM-UHFFFAOYSA-N 358.526 4.765 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@H]3C2=O)cc1Cl 101204155 YIFKVQREBRTGFQ-SMOSDQRPSA-N 367.876 4.831 0 40 FJAB FC(F)(F)c1cnc(NCC2(c3ccccc3)CCOCC2)c(Cl)c1 106262856 FDEPEQPNGUWYAK-UHFFFAOYSA-N 370.802 4.914 0 40 FJAB ClC1(Br)[C@H]2CC[C@H]3[C@@H](CC[C@@H]21)C3(Cl)Br 169795519 SFVAUXRMMFFMJV-CLEOHUHOSA-N 362.920 4.712 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 219287903 PBHPOQCVNQVIJB-KRWDZBQOSA-N 359.425 4.632 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219361004 RQVXAIQQZLZTIT-NHCUHLMSSA-N 355.478 4.737 0 40 FJAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)cc4Cl)cn1c23 223094668 BWNIVYMRYJDISS-SNVBAGLBSA-N 373.239 4.678 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223246687 GFFPYOZJNPUUTB-LAUBAEHRSA-N 351.490 4.827 0 40 FJAB CN(CCCNC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225362269 KOVZNOVTHXXUDE-UHFFFAOYSA-N 365.304 4.569 0 40 FJAB CCCCOc1ccc(NC(=O)C(C)(C)Br)c2cccnc12 225880647 BDIANPBYDNTBNF-UHFFFAOYSA-N 365.271 4.526 0 40 FJAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 226336010 MENNUBBRTWWSGJ-RMKNXTFCSA-N 364.800 4.643 0 40 FJAB CN(Cc1cc(O)cc(C(F)(F)F)c1)Cc1ccccc1Br 1652080510 QGAXMGJKLQNTIA-UHFFFAOYSA-N 374.200 4.806 0 40 FJAB O=C1c2cccnc2Oc2ccc(Cl)cc2N1Cc1ccc(F)cc1 983994 BAXNUNBQYVPQRX-UHFFFAOYSA-N 354.768 4.827 0 40 FJAB CNc1nc(Sc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1 1396768 PVMNERIGXCUSEX-UHFFFAOYSA-N 353.291 4.707 0 40 FJAB CC1(C)CN(c2ccc(-c3ccnn3-c3ccc(Cl)cc3)cc2)C1=O 1401040 KBUCOCBPFNXYRK-UHFFFAOYSA-N 351.837 4.566 0 40 FJAB O=C(Nc1cc(Br)c2cccc3c2c1CC3)c1ccccc1 1723048 WVZTXOUINOMMRH-UHFFFAOYSA-N 352.231 4.953 0 40 FJAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccccc1 4629568 YXYQSHMMJRDUIH-LJQANCHMSA-N 351.837 4.685 0 40 FJAB COc1ccccc1-c1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 4664945 DHKNCCJEGKGDDU-UHFFFAOYSA-N 364.474 4.826 0 40 FJAB CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(C)c2c2ccccc12 4817110 SPWIXGDNPPGLJX-UHFFFAOYSA-N 367.445 4.912 0 40 FJAB CC(C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 5294712 RULPGAAHRDHJOK-QFIPXVFZSA-N 359.469 4.677 0 40 FJAB biogenic Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)c1 5342257 DVOOTUWXKUVQGD-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB Cc1sc2nc(CN3CCCC3)nc(N3CCc4ccccc43)c2c1C 5704326 XYVXJGJYFQODSB-UHFFFAOYSA-N 364.518 4.598 0 40 FJAB CSCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1)c1nc2ccccc2[nH]1 6506332 XXJHIFSSYDKBBC-DNVCBOLYSA-N 367.518 4.667 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)c1 6649271 XCGKDBBPVXIKTG-QGZVFWFLSA-N 369.515 4.935 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)NCCCSc1ccccc1 6652519 LCXUHXBXCUUBFU-UHFFFAOYSA-N 368.527 4.651 0 40 FJAB COc1cccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)c1OC(F)F 7061620 NEKGTSKJWGUORG-UJGDBWEASA-N 373.399 4.504 0 40 FJAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cnc3ccccc3n2)c1 7363842 AILGWOFUHZPJQH-QFIPXVFZSA-N 366.424 4.709 0 40 FJAB COc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1 8470190 GIEYBPQFEWEFIY-UHFFFAOYSA-N 352.261 4.833 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(C)C 8478058 WGBCODHBZQYMBE-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)cc1 8682618 IZFWEXMNRALCQQ-UHFFFAOYSA-N 374.465 4.745 0 40 FJAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)C3CC3)cc12 8990455 HTACJLHZYUGROE-UHFFFAOYSA-N 353.805 4.974 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2F)c2cc3cc(C)ccc3nc21 9088348 QATFJKMSCDXYNY-UHFFFAOYSA-N 362.408 4.694 0 40 FJAB COc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1Cl 9205075 UTWDVKUHBRPRHZ-UHFFFAOYSA-N 373.811 4.923 0 40 FJAB COc1ccc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1Cl 9256625 DIMCKJRMVYDNLR-UHFFFAOYSA-N 372.774 4.732 0 40 FJAB Cc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCc5ccccc54)nc3C2)cc1 10156843 UJWOYSHPWJSZQY-IBGZPJMESA-N 369.468 4.700 0 40 FJAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(N2CCCC2)cc1 10429395 CJZGLZPCTGFBHX-UHFFFAOYSA-N 360.910 4.812 0 40 FJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl 12906430 QPKSHCNQSOUFAA-UHFFFAOYSA-N 360.240 4.955 0 40 FJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc(Cl)cc3)n2)cc1 13495056 HLCPTMCWYWBWMM-UHFFFAOYSA-N 369.852 4.618 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cccs1 17178264 GFIZABUCTVISHV-UHFFFAOYSA-N 362.454 4.593 0 40 FJAB Cc1ccsc1-c1nnc(C2CCN(Cc3ccccc3F)CC2)o1 19238731 RALSSZYSTLXKFN-UHFFFAOYSA-N 357.454 4.625 0 40 FJAB O=C(c1ccc(COc2ccccc2Cl)o1)N1CCc2ccccc2C1 20130792 IEYBLBNPPCRVTE-UHFFFAOYSA-N 367.832 4.711 0 40 FJAB Cc1ccc(-c2nonc2NC(=O)Cc2cccc3ccccc23)cc1C 20899426 KMRVRQGFENPZMW-UHFFFAOYSA-N 357.413 4.688 0 40 FJAB CC[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1 21704038 ODCZYDCQZJTTIS-PKOBYXMFSA-N 369.530 4.881 0 40 FJAB O=C(c1csc(-c2cccs2)n1)N(Cc1ccccc1F)C1CC1 21934827 ZJHWCPOKCJOVAS-UHFFFAOYSA-N 358.463 4.816 0 40 FJAB Cc1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)c(Cl)c1 24441918 DEOKJFXDJMJBNV-UHFFFAOYSA-N 370.714 4.766 0 40 FJAB Cc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2 25283618 PKIFDWDFPMKSPO-HXUWFJFHSA-N 372.468 4.556 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1 27662629 GFFYAMNSFMKMRR-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2C1 32721402 WNNZRCHLWBSLPX-SECBINFHSA-N 355.290 4.756 0 40 FJAB CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)sc1C 32820723 NFJRPDJYWYFMBD-QGZVFWFLSA-N 359.491 4.613 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCCC2=O)cc1 32922783 HMTVOEOWIDDEBU-UHFFFAOYSA-N 364.489 4.576 0 40 FJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCC1 35292363 ASINGMBUBPAYSM-JLYLLQBASA-N 357.567 4.610 0 40 FJAB Cc1ccc(NC(=O)c2cc3cc(C)ccc3n2C)c(-c2cc(C)n[nH]2)c1 35316896 MGGWQGQHUWMXHI-UHFFFAOYSA-N 358.445 4.746 0 40 FJAB C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(F)c(F)c1 36062875 TUYDSMHYLGJDCL-NSHDSACASA-N 353.796 4.653 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)OC)c1 38753156 YPAQEIYOYCOTHP-MRXNPFEDSA-N 363.866 4.636 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 38756771 GIPRSBZYBZNZPM-FXAWDEMLSA-N 355.478 4.675 0 40 FJAB O=C(NCCc1cccs1)Nc1cccc(C2SCCCS2)c1 43834269 HSPQBYCMBZEHHZ-UHFFFAOYSA-N 364.561 4.981 0 40 FJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1cccc2ccccc12 45889073 GTILTOBPZMORRZ-UHFFFAOYSA-N 362.458 4.604 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)c2cccs2)c1 57508880 MCSDSTUYZNWAHN-UZLBHIALSA-N 350.487 4.763 0 40 FJAB CC(C)(C)c1csc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 58325652 LNCCNXJXRGVMFW-UHFFFAOYSA-N 358.385 4.520 0 40 FJAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1SC(C)(C)C 72217461 IDECOJKITAJNDL-UHFFFAOYSA-N 366.527 4.850 0 40 FJAB C[C@@H](SCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccccc1F 84660747 VRVFASXNEKXJFO-LLVKDONJSA-N 354.406 4.803 0 40 FJAB CCCOc1ccc(Cl)cc1NC(=O)N1CC=C(C(F)(F)F)CC1 95441696 WNPPIUWRPMGEHO-UHFFFAOYSA-N 362.779 4.855 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccc(F)cc2)nc1 222613919 CHHNUHAWVKRUOT-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB Cc1ccc(CSCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 223399954 WTMZKWDIYIYXHS-UHFFFAOYSA-N 362.498 4.853 0 40 FJAB CCCOCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 224414617 DMWPYEVOGJRGLZ-UHFFFAOYSA-N 367.367 4.893 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 225568581 OPQNVMXBWVPQKC-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225608471 NBIXEVJYJWWEPC-QFIPXVFZSA-N 355.478 4.964 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2cccc(Cl)c2)cc1 225802387 YOLCVGYIARWUDY-UHFFFAOYSA-N 366.939 4.817 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1[C@H](C)CCC[C@H]1C 226330015 GUFDPWJUXXLYLN-HUUCEWRRSA-N 355.457 4.736 0 40 FJAB c1cncc(-c2ccc3c([C@H]4CCCN4Cc4cccs4)ncn3c2)c1 306123359 AKXDYIKPQILULJ-LJQANCHMSA-N 360.486 4.795 0 40 FJAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1OC 408588992 XPXFCAJFXCVXHS-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Cl)c1OCC 408618173 DTUCVPGCJXRXFE-UHFFFAOYSA-N 351.805 4.837 0 40 FJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C 408877333 UXHJOXIUPFCCCR-YVLHZVERSA-N 373.861 4.894 0 40 FJAB CCc1c(C)[nH]c2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c1=O 409062659 YMTAKXSHRVIMFR-UHFFFAOYSA-N 363.848 4.881 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)C1(c2ccc(F)cc2)CC1 575619305 CZURRLDLYDMRRG-AWEZNQCLSA-N 353.462 4.819 0 40 FJAB C[C@@]1(Cc2ccc(Cl)c(Cl)c2)Oc2ccccc2[C@@H]1OCC(=O)O 585263398 FPKRMVAHUUUYRH-ROUUACIJSA-N 367.228 4.530 0 40 FJAB CCn1ccc(COC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)n1 1130703531 LFGKMZVVYBJCDB-UHFFFAOYSA-N 352.434 4.818 0 40 FJAB CCc1ncnc(N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1F 1559085641 UBTLXFATRJWDEB-IBGZPJMESA-N 369.415 4.722 0 40 FJAB CCC(CC)C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 683191 ZCJHGRXMMAZXCE-UHFFFAOYSA-N 350.890 4.777 0 40 FJAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 907614 WMNAHCAAPNEUSQ-UHFFFAOYSA-N 365.289 4.959 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 2314156 CCJFUJXMAQJZIA-UHFFFAOYSA-N 356.516 4.746 0 40 FJAB CC(C)[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 4360108 UERFTSQXRPAUOV-GOSISDBHSA-N 370.836 4.873 0 40 FJAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCCC2 4568493 YCHDLRDUVKNJJG-UHFFFAOYSA-N 356.491 4.926 0 40 FJAB Cc1ccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c(C)c1 5047209 PSQQAJUDAQPGCX-WYMLVPIESA-N 368.436 4.879 0 40 FJAB Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1C 5146693 NFFDICBVCGZWFS-UHFFFAOYSA-N 361.470 4.861 0 40 FJAB CC(=O)CCSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 5231172 XIHCNEHGMLWWOJ-UHFFFAOYSA-N 371.893 4.967 0 40 FJAB CSc1nc(N2CCCC[C@@H]2C)c2c3c(sc2n1)COC(C)(C)C3 5324443 QWUQYGBIKXGLHK-NSHDSACASA-N 363.552 4.643 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)c1 5325112 PUIVHVJQCBOARU-CYBMUJFWSA-N 370.499 4.884 0 40 FJAB CC(C)Oc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 6200688 FORFHFCPPSBKJO-UHFFFAOYSA-N 352.459 4.773 0 40 FJAB CC(C)Cn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 6538008 PXMANMRILGINGT-UHFFFAOYSA-N 358.894 4.998 0 40 FJAB COc1cc(C)c(NC(=O)c2sc(-c3cccs3)nc2C)cc1OC 6789498 DVUNNHIHQOTDBI-UHFFFAOYSA-N 374.487 4.758 0 40 FJAB COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(C)o2)cc1OC 7777204 PRJDLIDOJATEQU-UHFFFAOYSA-N 371.458 4.509 0 40 FJAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1C 7918265 CYMQGMKSUYKGFL-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 8004896 DPXVQMBJFAGRGC-QGZVFWFLSA-N 369.465 4.601 0 40 FJAB Cc1ccc(-n2ccnc(SCc3c(F)cccc3Cl)c2=O)cc1 9320363 SYLWREWTQNUICD-UHFFFAOYSA-N 360.841 4.626 0 40 FJAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 11862901 GFLUUHQEKPFHKO-XBXARRHUSA-N 367.626 4.779 0 40 FJAB CCC[C@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C)c1ccccc1 12727392 NOSYVAQHSYEJFG-AEFFLSMTSA-N 365.473 4.721 0 40 FJAB CN(Cc1ccccc1Br)C(=O)CCc1c[nH]c2ccccc12 13003032 HQTXEQDFTHOYPY-UHFFFAOYSA-N 371.278 4.522 0 40 FJAB COc1ccc(OC)c(NC(=O)c2sc(-c3ccccc3F)nc2C)c1 13730327 HPBIFPVPSNPQRC-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB C[C@@]1(c2ccc3c(c2)OCO3)Nc2ccccc2-c2nc3ccccc3n21 13768237 SLYDLWRZFWJAOQ-JOCHJYFZSA-N 355.397 4.579 0 40 FJAB COc1cc(NC(=O)C(C)(C)C)ccc1NC(=O)c1ccccc1Cl 14258420 KBWMIFIJQAFFIX-UHFFFAOYSA-N 360.841 4.586 0 40 FJAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15913931 MOGNZFONUSIYAH-INIZCTEOSA-N 365.502 4.519 0 40 FJAB Cc1ccc(OC[C@@H](O)Cn2c(C3CCCCC3)nc3ccccc32)cc1 16903702 NJMXKMVTGKYBTB-IBGZPJMESA-N 364.489 4.832 0 40 FJAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)N1C[C@H](C)O[C@H](C)C1 17919223 YZHJYPYQEKEIEC-PHIMTYICSA-N 368.260 4.811 0 40 FJAB COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c(F)c1 19240233 HFSXAAOKXKGSNN-QGZVFWFLSA-N 362.495 4.734 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCSc2ccccc21 19358332 VUOBRFKXCLCYCO-UHFFFAOYSA-N 367.499 4.656 0 40 FJAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(-c2ccc(F)cc2)s1 24737552 CJGVUMBWAKKYGX-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2cc(Cl)ccc21 32607836 NKEGIEAFMSWIPN-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB OC1=Nc2c(ncn2-c2ccc(Br)cc2)[C@H](c2ccsc2)C1 36358402 AADYPJDLAHOJJN-ZDUSSCGKSA-N 374.263 4.820 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(Cl)cc1 44886229 CVDYVGZEHCISAQ-QGZVFWFLSA-N 352.261 4.809 0 40 FJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(C(C)C)cc1 45890089 KTYUUJYFZGQRCZ-UHFFFAOYSA-N 369.490 4.636 0 40 FJAB Cc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCCC3)cnc2n1 49004526 VNAHKOSXQTYPOA-UHFFFAOYSA-N 366.852 4.571 0 40 FJAB CCCCOc1cccc(C(=O)Nc2c(Cl)ccc3nsnc23)c1 57313697 WCUDJMSBZLVZNO-UHFFFAOYSA-N 361.854 4.776 0 40 FJAB CCn1cc(NC(=O)N(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)cn1 58006139 CETNWYMCTNKHAX-QFIPXVFZSA-N 374.488 4.933 0 40 FJAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72213385 WYOYIVZDLPJNDS-VQIMIIECSA-N 353.466 4.766 0 40 FJAB O=C(Nc1ccncc1N1CCCCC1)c1ccc(Oc2cccnc2)cc1 96012127 SCNUEYUDVFJKJL-UHFFFAOYSA-N 374.444 4.512 0 40 FJAB Cn1/c(=N\C(=O)c2ccccc2Oc2ccccc2)sc2ccccc21 104992719 SDWKWLARFYSDIU-QURGRASLSA-N 360.438 4.773 0 40 FJAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 113970483 QIYNECQAGFVHRO-GOSISDBHSA-N 361.869 4.521 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC[C@@H]32)C1 118913932 KXWWWRVUYQUXMN-NYRZBBFOSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)s1 222936565 AINVLIQRNFYBCV-LBPRGKRZSA-N 373.503 4.599 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 223789136 MWJZSVZLFLGLAQ-GOSISDBHSA-N 369.505 4.896 0 40 FJAB COc1ccc(C(=O)NCc2ccco2)cc1CSc1ccccc1 224322567 BGIYQSNOXHUADC-UHFFFAOYSA-N 353.443 4.511 0 40 FJAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)cc1I 225029482 BULXZGUBENHQAC-CYBMUJFWSA-N 373.278 4.546 0 40 FJAB Nc1c(-c2c(F)cccc2Cl)c(C(F)(F)F)nn1-c1ccccc1 225179799 GFFZCELSFYGBEJ-UHFFFAOYSA-N 355.722 4.933 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2cc(C)ccc2C)c2ccccc2O1 225309942 DMFKFGRNBZFZPD-IBGZPJMESA-N 367.489 4.881 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccccc2)c(C)c1 225481223 DHZZACAKKJLBSV-QGZVFWFLSA-N 356.491 4.609 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc3c(c1)CCCC3)CC(C)(C)O2 225633167 RIZCXRINDGZMJT-HXUWFJFHSA-N 365.473 4.606 0 40 FJAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225687055 YETPNAKZRTVPEF-LJQANCHMSA-N 371.905 4.678 0 40 FJAB COCc1nn2c(-c3ccc(OC)cc3)cc(C)nc2c1-c1ccccc1 408545482 ZEEHHWWQBCHCJV-UHFFFAOYSA-N 359.429 4.527 0 40 FJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)cc1 408994981 KDTVVQWASUHFLV-BDTNDASRSA-N 371.436 4.864 0 40 FJAB C[C@H](NC(=O)NCC(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 606916015 DHXROVHCPBQIKN-NSHDSACASA-N 356.775 4.930 0 40 FJAB C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 679216929 GKUZDPBUMJUJBK-VXGBXAGGSA-N 364.371 4.510 0 40 FJAB Brc1cscc1CN1CCn2cccc2[C@@H]1c1ccccc1 1139348679 VHZSULICLSITHH-SFHVURJKSA-N 373.319 4.917 0 40 FJAB O=C(c1cccnc1N1CCCCC1)N1CCC[C@H](C2CCCCC2)C1 1585620940 OFIZEXAPWLGMAY-IBGZPJMESA-N 355.526 4.504 0 40 FJAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)c2ccccc2)s1 1345320 GBNITUPMMQPXIC-UHFFFAOYSA-N 351.475 4.816 0 40 FJAB CN1CCCCCC[C@H]1COC(=O)C(c1ccccc1)c1ccccc1 2042211 JFCAIPHAGUDUPW-NRFANRHFSA-N 351.490 4.626 0 40 FJAB CC(C)(C)NC(=O)c1cc(-c2ccc3ccccc3n2)nc2ccccc12 3072992 JYEABNRLUJPAOL-UHFFFAOYSA-N 355.441 4.978 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)c(C)c1 3893216 HYJUJFOKBMINGO-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCCC3)n2)c1 4331149 MXHHXADBOWNZKE-UHFFFAOYSA-N 360.465 4.576 0 40 FJAB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1F 4688550 UGODNMKDTGEVAK-UHFFFAOYSA-N 362.429 4.524 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1)c1ccccc1 4723946 ZUSZLNDBUMDLGJ-GOSISDBHSA-N 372.468 4.749 0 40 FJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cc2ccccc2)cc1 4725089 ZSCLVJCWMRJUIR-QHCPKHFHSA-N 370.452 4.616 0 40 FJAB CC(C)CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 4966944 XLLHIJAAXAOZFG-UHFFFAOYSA-N 365.502 4.551 0 40 FJAB COc1ccc(-c2noc([C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1OC 5059334 ZVELWTINVYFKKS-LBPRGKRZSA-N 374.824 4.856 0 40 FJAB CSc1ccc(Cl)c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 5933200 KPLNYHOYDINTHG-UHFFFAOYSA-N 374.845 4.834 0 40 FJAB Cc1cc(C)cc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 6500790 BDIWBMXWHZNVBF-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB CCc1ccc2c(CSc3nc4ccccc4n3C)cc(=O)oc2c1 6566938 VAMJXSZOYMGEFK-UHFFFAOYSA-N 350.443 4.534 0 40 FJAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)c1nnc(-c2cccs2)o1 6840662 PHYRXKAEYWMAER-LLVKDONJSA-N 366.398 4.575 0 40 FJAB COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCC2)cc1 7275507 VWTJBXKOZQTQEP-UHFFFAOYSA-N 356.853 4.620 0 40 FJAB Cc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(F)cc2)c1N 7499914 DXWSLSNRKMLLAU-UHFFFAOYSA-N 359.451 4.550 0 40 FJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(N2CCCC2=O)cc1 8341783 WWGKTOVJWJZAJC-UHFFFAOYSA-N 370.452 4.657 0 40 FJAB O=C(/C=C/c1ccccc1Br)N1CCC[C@@H]1c1ccccc1 9957018 DCSZWXUWSCCGBD-QFQMRYFISA-N 356.263 4.826 0 40 FJAB O=C(NCCCN1CCCCCC1)c1cc2c(ccc3ccccc32)o1 10111268 HKBPTQUZEDNMJE-UHFFFAOYSA-N 350.462 4.582 0 40 FJAB Cc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1C 10253650 USZWQJBAHHXGPT-UHFFFAOYSA-N 355.445 4.517 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 11585271 MZJIXMJJLFUZBP-INIZCTEOSA-N 360.244 4.847 0 40 FJAB CN1O[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C[C@@H]1c1ccccc1 12338588 UJVUSHBJBUWIJI-DZGCQCFKSA-N 371.790 4.543 0 40 FJAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1cccc(Cl)c1 12908384 MQEAOJHPEATRTB-CYBMUJFWSA-N 372.877 4.867 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12973352 AVHGAHUMQGIJGN-LBPRGKRZSA-N 358.850 4.870 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3ccco3)cccc2c1=O 14137612 IYORUAQZVPWSIC-UHFFFAOYSA-N 373.408 4.634 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCSc2ccc(F)cc21 14228927 WOEQATJLUSTBHT-HNNXBMFYSA-N 369.383 4.740 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 14291451 ZLTKMCSOEYDDRU-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB O=C1CCCN1c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 15581162 CKWIFPFOZGTZDG-UHFFFAOYSA-N 364.420 4.502 0 40 FJAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1-c1ccccc1)CCC2 15840401 SOIUKYWIVVUAFY-UHFFFAOYSA-N 368.889 4.667 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccccc1 17178298 CQSMULXJTAVZEJ-UHFFFAOYSA-N 356.425 4.532 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1c(F)cccc1Cl 18019033 MYLNKVOYZVOQSW-IBGZPJMESA-N 370.855 4.665 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2ccccn2)n1 19691491 LERYFCDKLPRCAV-OAQYLSRUSA-N 361.420 4.568 0 40 FJAB Cc1ccc(SCCNC(=O)CSCc2cc(C)cc(C)c2)cc1 20237889 YNJZXHDXAXDBPZ-UHFFFAOYSA-N 359.560 4.754 0 40 FJAB O=C(NCc1ccccc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22071984 HMHMYZJWSVWNRG-UHFFFAOYSA-N 355.800 4.548 0 40 FJAB CCOP(=O)(OCC)C(C)(C)NC(=O)Nc1c(C)cc(C)cc1C 26779875 OXZFOHPJAQHUKW-UHFFFAOYSA-N 356.403 4.736 0 40 FJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 27663283 SAEKXWPKPDQSFK-LLVKDONJSA-N 360.772 4.540 0 40 FJAB Cc1cn2c(/C=C/c3cc(C(=O)O)c4ccc(F)cc4n3)c(C)nc2s1 31855785 WUWBOZGYGOPHGH-GQCTYLIASA-N 367.405 4.569 0 40 FJAB O=C(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1cccnc1 32095392 FUUSZEYGOMHSNY-UHFFFAOYSA-N 370.286 4.526 0 40 FJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2S1 32879925 DSSRSXRPJTZRRN-IRLDBZIGSA-N 359.494 4.804 0 40 FJAB O=C(CSCc1csc(-c2ccccc2)n1)Nc1cccc(F)c1 36392930 LVDDPOPRYNYBAR-UHFFFAOYSA-N 358.463 4.821 0 40 FJAB COc1cc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc(OC)c1 40097741 PWOVFKMTJUECOG-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1)c1ccco1 40154679 YGBMDMZJLSPBSW-KRWDZBQOSA-N 366.442 4.571 0 40 FJAB COCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 41294427 NYRBROJELAKALH-UHFFFAOYSA-N 359.882 4.537 0 40 FJAB COc1ccc(-c2cnc(SC)n2-c2ccc(OC(F)F)cc2)cc1 44088112 KVUFIIRXFVBBIZ-UHFFFAOYSA-N 362.401 4.871 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](CC)c2ccccc2)cc1OCC 44948033 WOWRDZKEPHGTHL-LJQANCHMSA-N 355.478 4.684 0 40 FJAB Cc1cccc2c(=O)[nH]c(CN[C@H](C)c3ccc(-c4ccccc4)cc3)nc12 49609495 PDJGMJGVHZJXAT-QGZVFWFLSA-N 369.468 4.749 0 40 FJAB COc1cc(CN(C(=O)Nc2cccc3ccccc23)C2CC2)ccc1O 56501818 IPLZCIOUQJLFTB-UHFFFAOYSA-N 362.429 4.751 0 40 FJAB CCCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc2C1 58156832 UDVAPMDJBFUKLQ-OAQYLSRUSA-N 360.501 4.897 0 40 FJAB Nc1c(Cl)cc(NC(=O)c2cc(-c3ccccc3F)on2)cc1Cl 58378790 OCLXCKIWJHKSMV-UHFFFAOYSA-N 366.179 4.622 0 40 FJAB O=C(NCCCc1nc2c(s1)CCCC2)c1ccc(Cl)c(Cl)c1 65578961 KDEBTJDXORVIAT-UHFFFAOYSA-N 369.317 4.691 0 40 FJAB Fc1ccccc1Oc1ccc(CNCc2ccc3c(c2)OCO3)cc1F 65888357 VBJBVMJLZWAZDN-UHFFFAOYSA-N 369.367 4.776 0 40 FJAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cccnc2N2CCCC2)o1 75543982 AMRHEJNKKRPILN-MAUKXSAKSA-N 368.481 4.588 0 40 FJAB O=C(NCC[C@@H](O)c1cccc2ccccc12)Nc1cccc(Cl)c1 77119024 WTHPDKYDGPCHPQ-LJQANCHMSA-N 354.837 4.738 0 40 FJAB Cc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)c(C)n1C1CCCCC1 118347509 IOCUJIZTZHZRRK-UHFFFAOYSA-N 368.403 4.621 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219291454 VCNFZFJFQVGKKS-DYVFJYSZSA-N 359.853 4.526 0 40 FJAB CC(C)Oc1ccccc1C(=O)Nc1ccc(Br)cc1F 219735993 OFZYKMWERPJZFN-UHFFFAOYSA-N 352.203 4.628 0 40 FJAB C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(Cl)cc2)cn1 223930554 SCVPCDWGGQCAFJ-AWEZNQCLSA-N 374.941 4.600 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(C)cc1 224121559 LKMODAGDTMSWSP-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2C)c2cccnc12 225755542 AJOKZOLRQPIUIM-CQSZACIVSA-N 351.475 4.599 0 40 FJAB Fc1ccc(C2(CNC(=S)Nc3c(F)cccc3F)CCCC2)cc1 225810582 QPBWFYZTDDPIKQ-UHFFFAOYSA-N 364.436 4.902 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3ccncc3)C2)cc1 257291887 QJBFYKFXPPHARJ-HXUWFJFHSA-N 372.468 4.511 0 40 FJAB Cc1cc(NC(=O)N(C)[C@H](C)c2ccco2)cnc1N1CCCC[C@@H]1C 331363051 ABDMIRFHUDNQMB-JKSUJKDBSA-N 356.470 4.587 0 40 FJAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 390829299 DJJHJAYKAOYTFE-MRXNPFEDSA-N 357.523 4.603 0 40 FJAB Cc1cc(C)n([C@@H](CNC(=O)Nc2ccccc2Cl)c2cccs2)n1 585368657 FQSMHAKTNBBBQY-INIZCTEOSA-N 374.897 4.626 0 40 FJAB COc1ccc([C@@H](NC(=O)Nc2cccc3[nH]ccc23)C(C)C)cc1OC 604418922 QLSDLHLHTBYIKG-FQEVSTJZSA-N 367.449 4.704 0 40 FJAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)COc1ccc(Oc2ccccc2)cc1 1473163 OAJAJQSGTHDMAI-BXKMTCNYSA-N 373.452 4.907 0 40 FJAB Cc1ccnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 2195831 UQZNHOGPAWPTPC-UHFFFAOYSA-N 365.483 4.707 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 2621352 ASZNFPHVNCTHQE-UHFFFAOYSA-N 356.381 4.950 0 40 FJAB CCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CC)cc3)nc2)cc1 2746742 DHDGXGRVERSTAE-UHFFFAOYSA-N 373.456 4.711 0 40 FJAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)C[C@@H](C)CC3 3284216 BPQUGJOEOVBGMM-NSHDSACASA-N 367.474 4.639 0 40 FJAB COc1ccc(NC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1 3304170 PCCPALXCTAPIRN-UHFFFAOYSA-N 351.402 4.524 0 40 FJAB Cc1cc(C)c(C(=O)CSc2nnc3sc4ccccc4n23)cc1C 3495520 FISBWVJKKXNEQR-UHFFFAOYSA-N 367.499 4.844 0 40 FJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(Cl)c1 4033086 PSVODJVRCOONQU-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB CN(C)C[C@@H]1CCCC[C@@H]1[C@]1(O)c2ccccc2CSc2ccccc21 4128333 DYOKEZUEHYQWMK-LTMIRXACSA-N 367.558 4.896 0 40 FJAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 4558270 SDGOMWDQSJKKJI-UHFFFAOYSA-N 357.475 4.753 0 40 FJAB C[C@@H](c1ccccc1)[C@H](CC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 4602057 GOONKHBSKADUIL-FZMZJTMJSA-N 366.244 4.827 0 40 FJAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 4912204 SSVXMKOXTGWADU-MRXNPFEDSA-N 369.461 4.591 0 40 FJAB CCCCN(Cc1cccs1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 5351105 JWLULFNQMKLGMH-UHFFFAOYSA-N 372.490 4.689 0 40 FJAB Nc1c(Br)cc(-c2nc3ccccc3o2)cc1Br 5741302 VNUPQXWYSQMKAO-UHFFFAOYSA-N 368.028 4.602 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccccc1Br 5771016 QMOGLARIMOEWEH-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 6515495 QDKNIUJSLIERMM-XYOKQWHBSA-N 369.461 4.662 0 40 FJAB O=C(CSc1ncnc2sccc12)Nc1ccc2ccccc2c1 7063872 PCDSADLKMVDEBJ-UHFFFAOYSA-N 351.456 4.575 0 40 FJAB Clc1cc(CSc2ncnc3sccc23)cc2c1OCCCO2 7112895 WCYXYLPIJZURIV-UHFFFAOYSA-N 364.879 4.798 0 40 FJAB CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCCCC1 7735601 ULABNKSAQDZXPH-UHFFFAOYSA-N 361.873 4.832 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1csc(-c2cccs2)n1 7919113 YCCXNZDWCYPQEL-UHFFFAOYSA-N 350.852 4.786 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 8041288 RJJKWYDZTJMNFX-LJQANCHMSA-N 359.469 4.977 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 8724710 YTHRFJACGMQADI-QGZVFWFLSA-N 365.477 4.693 0 40 FJAB COc1ccc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)cc1F 8987945 KIUWMPCFIFZQNP-UHFFFAOYSA-N 365.404 4.899 0 40 FJAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 9135007 XDRPPKRUOTVBDD-UHFFFAOYSA-N 374.396 4.614 0 40 FJAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 9460286 OMOUBSNVEKFNJQ-MRXNPFEDSA-N 359.429 4.502 0 40 FJAB Fc1ccc(N2CCn3c(SCc4ccccc4Cl)nnc32)cc1 9574120 LJYJBTUDYDLLFA-UHFFFAOYSA-N 360.845 4.515 0 40 FJAB CSc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 9954862 ZKWOGSGUWJHZRN-UHFFFAOYSA-N 372.471 4.876 0 40 FJAB O=C(Cc1ccccc1Cl)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188092 WRCZTPMSUAMEGR-LJQANCHMSA-N 364.876 4.837 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1 13584560 SQDVIQOMBJHZFW-TUQDCPSNSA-N 371.440 4.568 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 14179948 UBUIVSFQANEQQE-UHFFFAOYSA-N 361.323 4.680 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(F)c1)c1ccccc1 14792876 VYLQDJUIXNQGGL-OAHLLOKOSA-N 362.404 4.569 0 40 FJAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 16591626 GYPOTVXOBVHNEB-NXEZZACHSA-N 369.214 4.595 0 40 FJAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 17309593 VXQVQKSWDNWYRO-LJQANCHMSA-N 368.484 4.844 0 40 FJAB Cc1ccccc1NC(=O)Nc1ccc(Br)c2cccnc12 27930406 BDYYQFYRLOBTCW-UHFFFAOYSA-N 356.223 4.950 0 40 FJAB CCc1ccc([C@H](NC(=O)[C@H]2Cc3ccccc3O2)c2cccs2)cc1 29429101 RUFHZIBTMKUPEP-CTNGQTDRSA-N 363.482 4.520 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 32800824 CFLGZKLZCPSPFH-SFHVURJKSA-N 370.543 4.818 0 40 FJAB CN(C)c1ccc(NC(=O)c2ccc3ccccc3n2)c(C(F)(F)F)c1 32832452 ZESZPPHRDOCHPE-UHFFFAOYSA-N 359.351 4.572 0 40 FJAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 33668238 AGEZNFXNLWHJIM-UHFFFAOYSA-N 358.869 4.520 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)c(C)c1 33882046 QWHJTILTOIZTEQ-UHFFFAOYSA-N 358.869 4.575 0 40 FJAB Cc1cc(-c2csc(NC(=O)[C@H]3OCCc4ccccc43)n2)c(C)s1 35316769 VSWWBUCHXKFIOF-KRWDZBQOSA-N 370.499 4.741 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 39772468 WFTQFPXEBJWXLE-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc2c(c1)OCCCO2 41747983 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0 40 FJAB C[C@H](SCC(=O)N(C)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 97610295 NRFDVZHTKQQDLZ-ZDUSSCGKSA-N 373.909 4.669 0 40 FJAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(c1ccccc1F)C1CCCC1 101426580 FUSHGMXJSDVWEP-TWVWUCKLSA-N 371.496 4.823 0 40 FJAB C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108914437 PGISDGAAJMGOBF-QUJKESNLSA-N 367.464 4.959 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1ccccc1-c1cn2ccccc2n1 206897615 YJZPJCOQRYPPJW-UHFFFAOYSA-N 361.832 4.836 0 40 FJAB COc1cc(Br)c2[nH]c(-c3ccc(C)c(Cl)c3)nc2c1 216916160 AMMWVPQTPOTSCK-UHFFFAOYSA-N 351.631 4.963 0 40 FJAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223058439 DRIZNIDWWFUKJQ-LJQANCHMSA-N 363.910 4.648 0 40 FJAB O=C(NCCSC1CCCC1)c1cccc(OCc2ccccc2)c1 224092306 SRWQJFZUHOLHAX-UHFFFAOYSA-N 355.503 4.671 0 40 FJAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COCc1ccccc1 224459621 MEGMKKBDLNGALW-UHFFFAOYSA-N 365.404 4.803 0 40 FJAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccccc1Cl 224480890 CLLIIHCDNVABHO-UHFFFAOYSA-N 361.869 4.800 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1c(Cl)cccc1Cl 225359783 OZYKYKBQSAWQTO-OAHLLOKOSA-N 371.352 4.697 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C(F)(F)F)c1 225518286 CHBKLMZQJCGLIQ-QGZVFWFLSA-N 365.395 4.796 0 40 FJAB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225597343 DDCMYQBBIRAXAD-GOSISDBHSA-N 358.526 4.706 0 40 FJAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)c(C)c3)ccc2c1 225770187 LSUXXTCTWRJFPB-MRXNPFEDSA-N 369.486 4.505 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCCC1 225909407 SOMKVLFJYBQAGB-UHFFFAOYSA-N 370.493 4.948 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC(c2cccnc2)CC1 678177451 XGUZWTCPDHVJFX-UHFFFAOYSA-N 350.249 4.800 0 40 FJAB CCOc1ccc(-c2coc3cc(OCC)cc(OCC)c3c2=O)cc1 629835 DXOGOYYRMFWJNO-UHFFFAOYSA-N 354.402 4.656 0 40 FJAB CCCN(CCC)C(=S)Oc1cccc(C(=O)Nc2ccc(F)cc2)c1 1052289 IHNDBBYZPSKKDE-UHFFFAOYSA-N 374.481 4.864 0 40 FJAB C[C@H]1C[C@H](C)CN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)C1 1340995 KINUPNAIOFYFBF-GJZGRUSLSA-N 364.468 4.506 0 40 FJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 1505333 DQHTYICOSPWQPM-SFHVURJKSA-N 367.836 4.542 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1C 1508983 BFKBNKIRGUHXKG-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB O=C1CS[C@H](c2c(F)cccc2Cl)N1c1nc2ccccc2s1 1585717 VEXGIKXEIYQXFJ-OAHLLOKOSA-N 364.854 4.867 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nc(C)c1C 2625538 KTMCFWGULCITJC-LLVKDONJSA-N 370.305 4.828 0 40 FJAB Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)c(Br)c1 3311074 YPJFCXYIOJXBBC-UHFFFAOYSA-N 360.585 4.941 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4ccccc4F)c(=O)c23)cc1C 4056529 OVLFNXSPVCCESD-UHFFFAOYSA-N 364.445 4.929 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c(F)cccc1Cl 4079033 QXACZPQNTKBSSG-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB Cc1ccc2nc(NC(=O)CSc3c[nH]c4ccccc34)sc2c1 4108458 AYHJWYZKFHOHIG-UHFFFAOYSA-N 353.472 4.817 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)ns2)c1 4167223 HIXWDEKJDQJEJL-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB Cc1cc(C)c(OCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 4698402 IFQDDEKCKDTIAB-UHFFFAOYSA-N 355.522 4.713 0 40 FJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 4910632 WODPQKLLGAEOMC-MRXNPFEDSA-N 369.461 4.591 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1 6919904 IMBIIEZTSQYHDO-MRXNPFEDSA-N 353.425 4.788 0 40 FJAB Cc1ccccc1NC(=S)Nc1ccn(Cc2ccccc2Cl)n1 6969244 VBKRCIKWJPUSGU-UHFFFAOYSA-N 356.882 4.702 0 40 FJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3)cc12 7609363 JHHKROCIPVNWGT-UHFFFAOYSA-N 365.433 4.846 0 40 FJAB CCCCOc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1OC 7814070 GXBYEMOOJOWOPI-KRWDZBQOSA-N 371.502 4.841 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cs1 7918912 HTVOLPIYMCEXBK-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB Cc1cccc2cc(CN(C(=O)C3CCCCC3)c3ccccc3)c(=O)[nH]c12 9159936 PYFNKMNGQRJFRL-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)CC(C)C)no2)cc1 12185473 BQSJGWYRBKPPAK-IBGZPJMESA-N 356.466 4.840 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccco1 12567865 QMTKYDZMQDRSPY-CQSZACIVSA-N 363.442 4.685 0 40 FJAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N(C)C)CCCC3 12745571 RCNMSUGDMIFACP-UHFFFAOYSA-N 350.487 4.852 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)c(F)c3)cs2)cc1 12777955 YJIUSUPCDIZDCQ-UHFFFAOYSA-N 360.385 4.561 0 40 FJAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(SC(F)F)cc1 12811849 AUABVTRVHZBPOO-GFCCVEGCSA-N 362.445 4.929 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc(Cl)c1 13041383 QZPMRHIATXQLEE-BQYQJAHWSA-N 352.265 4.806 0 40 FJAB Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@@H]2c1cc(F)ccc1F 13549680 VHBPZOOLLZHHOV-OAHLLOKOSA-N 353.372 4.891 0 40 FJAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccsc1 14068896 JZMOQYTWANRDPZ-UHFFFAOYSA-N 352.459 4.611 0 40 FJAB c1ccc(N/N=c2\c(=N\Nc3ccccc3)c3cccc4cccc2c43)cc1 17949626 GBXHWTQWOXMXIC-VRQWBOTBSA-N 362.436 4.724 0 40 FJAB CC[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(C)cc1 20488598 YMZPOVPORNRKFZ-QGZVFWFLSA-N 372.317 4.873 0 40 FJAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(OCc3ccc(F)cc3)c2)SC1 20733377 IWMSUHZGTUEAAL-GOSISDBHSA-N 369.421 4.552 0 40 FJAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 22072720 DAZIKAUGKULAEM-UHFFFAOYSA-N 371.799 4.879 0 40 FJAB CC(=O)c1cccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 23003989 XKGFCZLLDWQWRC-UHFFFAOYSA-N 361.323 4.570 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1 27581741 MCUHTPGSYJOCTR-FQEVSTJZSA-N 356.897 4.605 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(F)cc2F)o1 28228125 HZHREPYKTUUSDL-CYBMUJFWSA-N 369.367 4.728 0 40 FJAB O=C(CCc1ccc(-c2ccccc2F)o1)N(Cc1cccnc1)C1CC1 28517213 OATNBODWRFEWDD-UHFFFAOYSA-N 364.420 4.605 0 40 FJAB Cc1c(Br)cn2cc(-c3ccccc3)nc2c1Br 32647089 MATRUKITELBKLL-UHFFFAOYSA-N 366.056 4.835 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2Cc3ccccc3S2)cc1 32882035 HUGOYPBZINACAY-FPOVZHCZSA-N 367.514 4.856 0 40 FJAB O=C(c1ccc(O)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 33998501 CTMKIRXPVZYQJP-UHFFFAOYSA-N 362.406 4.916 0 40 FJAB in-vitro CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38859333 PCUPHPKLQRMQLM-UONOGXRCSA-N 357.325 4.510 0 40 FJAB C[C@@H](c1cccs1)N(C)Cn1ncn([C@H](C)c2ccccc2)c1=S 54447504 FTNDAGQIEVLRBK-CABCVRRESA-N 358.536 4.735 0 40 FJAB Cc1cc(CNC(=O)CCCOc2ccccc2)c2[nH]c(C)c(C)c2c1 58009835 VMZKAJATBSSMSP-UHFFFAOYSA-N 350.462 4.569 0 40 FJAB Cc1noc2ncc(C(=O)NC(C)(C)c3c(Cl)cccc3Cl)cc12 58323578 MWOUJDNYEPQDFO-UHFFFAOYSA-N 364.232 4.503 0 40 FJAB Cc1nc(C)c([C@@H](C)NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)s1 58407571 MJJALJQTFXYZOQ-CQSZACIVSA-N 356.535 4.966 0 40 FJAB COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)no2)c1 61108684 BGJQSZLARKRDAX-UHFFFAOYSA-N 366.417 4.536 0 40 FJAB Cc1ccc(C)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c1 67296233 BNSLRXYCBNCAPU-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB O=C(Cc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1cccs1 70696637 CFNVJRDOMFCYEQ-IBGZPJMESA-N 357.475 4.666 0 40 FJAB Cc1cccc(Cc2cnc(NC(=O)N[C@@H](C)c3ccc(C)o3)s2)c1 72280720 FXLXXTWDHGLKMM-AWEZNQCLSA-N 355.463 4.826 0 40 FJAB C[C@@H](OC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(F)c(F)c1 89904682 QGHIXBFJLVSTBX-MRVPVSSYSA-N 368.430 4.620 0 40 FJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1C 100648078 HHCOFGUPYPPBJL-VMRPVKRXSA-N 361.441 4.797 0 40 FJAB C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 103012780 PGISDGAAJMGOBF-QTQZEZTPSA-N 367.464 4.959 0 40 FJAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C 106682219 QBHBJXHYVHUGBZ-SXGWCWSVSA-N 360.866 4.532 0 40 FJAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222600646 OMDLFLVNNSVMJS-ORYQWCPZSA-N 374.513 4.770 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(Cl)cc1 222993093 PVEXUWAFVSNPRH-FQEVSTJZSA-N 359.897 4.863 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 223390209 JHAHEJRUSYBKJE-LBPRGKRZSA-N 370.301 4.669 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223433477 REZHNWFAOSRHLM-OAQYLSRUSA-N 353.462 4.760 0 40 FJAB O=C(CSCc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 223633940 GIKBOSAJNDWPBK-UHFFFAOYSA-N 373.827 4.908 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1 224480769 VEOCDMKTLFRGJR-ZWKOTPCHSA-N 368.893 4.549 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924493 JHFYEDSFEMXERF-NRFANRHFSA-N 352.478 4.700 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225188812 GYJGXKIZLMKCLF-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB O=C(NCc1cccnc1-c1ccsc1)c1cc2ccccc2s1 225647461 GOCRWZKBVABKPK-UHFFFAOYSA-N 350.468 4.955 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225739648 NIBPNGXPTMOLQZ-QGZVFWFLSA-N 367.836 4.573 0 40 FJAB COc1ccc(C2(NC(=S)Nc3cccc(F)c3)CCCC2)cc1OC 225855149 QGVKWYASBMKQOG-UHFFFAOYSA-N 374.481 4.599 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(-c2ccc(C(=O)O)cc2)n1 257343652 ZTWWYJLGKRODPU-GOSISDBHSA-N 368.433 4.519 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1 408547399 JFFJGBGVZLQDBZ-OAHLLOKOSA-N 358.441 4.951 0 40 FJAB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)C)c3)nc2c1 408620495 JRJBNCVOGQWNJC-UHFFFAOYSA-N 367.474 4.526 0 40 FJAB CCn1cc(C(=O)Nc2c(C)cccc2C)c(=O)c2cc(Cl)ccc21 408713225 OOANLJJCHNRETN-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O 409214639 YWUYZCZFIFQUIM-LGMDPLHJSA-N 363.479 4.711 0 40 FJAB CCN(C(=O)CCCc1ccc2nc(O)[nH]c2c1)c1ccc2ccccc2c1 730216506 RHFWPXSOFXXDFY-UHFFFAOYSA-N 373.456 4.798 0 40 FJAB C[C@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(C(F)(F)F)c1 1264292442 ITRNULZDMJMLCT-AWEZNQCLSA-N 358.363 4.987 0 40 FJAB C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 1292911446 YVRJEOZIPJEVMT-KPZWWZAWSA-N 367.399 4.660 0 40 FJAB O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 990322 HWCHNJLUBOKTGW-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB CCc1cccc(CC)c1Nc1nc(C)nc2c1cnn2-c1ccccc1 1576944 JZATXNQYXDKMRH-UHFFFAOYSA-N 357.461 4.992 0 40 FJAB CCCCCCc1cc2cc(-c3cn4ccccc4n3)c(=O)oc2cc1O 1863797 GYNSVGHBPJEPRB-UHFFFAOYSA-N 362.429 4.936 0 40 FJAB biogenic O=C(Cc1c(F)cccc1Cl)OCc1csc(-c2ccccc2)n1 3387010 INLKQZLZVPVPJE-UHFFFAOYSA-N 361.825 4.889 0 40 FJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1cccc(Cl)c1 4167235 QVIDACVLPBKGJO-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB Cc1cccc(Oc2ccc3c(c2)cc(C(=O)NCc2ccco2)n3C)c1 4676307 MYUYGKGGGZQESI-UHFFFAOYSA-N 360.413 4.802 0 40 FJAB Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(Br)c1 6287288 BEZOLQFLUGATMC-UHFFFAOYSA-N 372.184 4.958 0 40 FJAB O=CN1[C@H](c2ccccc2)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1 6616175 WXSCYJKDKAYXAQ-VWNXMTODSA-N 366.420 4.874 0 40 FJAB O=C(COc1cccc(Oc2ccccc2)c1)Nc1ccc2c(c1)CCC2 7778196 UEGPTGOSRWJGGK-UHFFFAOYSA-N 359.425 4.985 0 40 FJAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(C)cc1 9347668 PMOVPWANIAJPCC-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB Cc1ccccc1Nc1nnc(SCc2cn3cccc(C)c3n2)s1 10211638 PKORSKSFGQRIEG-UHFFFAOYSA-N 367.503 4.839 0 40 FJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3)cc2)cs1 12563984 RGTZRYBVYNBCAW-GFCCVEGCSA-N 355.438 4.697 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(F)c(F)c1 12907912 VKUVPCYQUQSWGN-UHFFFAOYSA-N 370.380 4.765 0 40 FJAB CCOc1c(Cl)cc(C(=O)N2CCc3sccc3[C@H]2C)cc1OC 13023427 IVPBFRVDZASFLJ-LLVKDONJSA-N 365.882 4.568 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 13710474 UCLXARCITYESIG-LJQANCHMSA-N 351.490 4.552 0 40 FJAB C[C@@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 15492197 IOTUAXQRAOVORB-LLVKDONJSA-N 371.836 4.757 0 40 FJAB Cc1cc(C)c(NC(=O)CNC(=O)c2sc3ccccc3c2C)c(C)c1 17961101 IPVFHDMNIIQYCJ-UHFFFAOYSA-N 366.486 4.503 0 40 FJAB C[C@H](Nc1ncc(-c2ccccc2F)c(-c2nccn2C)n1)c1ccccc1 19459500 PBCCROAIXQFMTG-HNNXBMFYSA-N 373.435 4.856 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1 19933858 DPAJHUMHCOYGNA-MRXNPFEDSA-N 352.261 4.809 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1Br 19934143 HUWGLYLITICWMP-LLVKDONJSA-N 368.658 4.817 0 40 FJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)c(Cl)c1 20138715 VALMBOHXXLHPBK-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20142207 CNWQOIFBFSPOMY-HNNXBMFYSA-N 365.429 4.869 0 40 FJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2ccccc12 22357892 SAJOUMMVYKJKSN-UHFFFAOYSA-N 362.429 4.665 0 40 FJAB CC(C)CC(=O)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27913987 DIJYAADRTSDNBS-UHFFFAOYSA-N 355.438 4.996 0 40 FJAB Cc1c(C(=O)N2CCC[C@H]2Cc2ccccc2)oc2c1C(=O)CC(C)(C)C2 32933195 IHHDFMWBQGKXBR-KRWDZBQOSA-N 365.473 4.590 0 40 FJAB Cc1cccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)c1C 33739356 OUHOPBQPFFPTAN-UHFFFAOYSA-N 372.896 4.965 0 40 FJAB C[C@@H](SCc1ccccc1Br)C(=O)Nc1ccccc1F 36701209 ZANIAHCEEGPBTN-LLVKDONJSA-N 368.271 4.849 0 40 FJAB CSc1cccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c1 40042985 OBFIMLMBQBJCPW-UHFFFAOYSA-N 371.487 4.645 0 40 FJAB C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 56553077 MDRRTQFFWYBARY-SJKOYZFVSA-N 364.276 4.996 0 40 FJAB CC(C)[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57529537 LKOPIZBVRYUGLP-VQTJNVASSA-N 356.897 4.647 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)c1cccc(Cl)c1 57543158 JKGXZGHHRXWEKP-ZDUSSCGKSA-N 371.868 4.880 0 40 FJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C3CCCCC3)C2)n1 72379146 XFJJRMOXXKMFIO-SFHVURJKSA-N 352.526 4.903 0 40 FJAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 95116837 BXNPPSIOMBIDSD-GOSISDBHSA-N 350.805 4.925 0 40 FJAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 116694421 RESLIIKYLIJSGF-AREMUKBSSA-N 371.433 4.525 0 40 FJAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]21 136002152 DXVUAPWZLBEGEU-ULAZLLGUSA-N 362.256 4.641 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)cc1 216867589 BWMNABFPYPLVMU-HZPDHXFCSA-N 351.494 4.620 0 40 FJAB Cc1cccc(CSCC(=O)NCCSCc2ccccc2C)c1 222737036 FUNNCACNZMNOKD-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)CCc1ccccc1 223425312 JLFLBBPDRUOHRA-WZONZLPQSA-N 365.517 4.860 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COC(C)C 224722141 JDQCGVDCLKMTHG-SFHVURJKSA-N 369.505 4.761 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2ccccc2C)c2ccccc2O1 224732213 SKUWAEDDBCVBIF-SFHVURJKSA-N 353.462 4.573 0 40 FJAB CCN(c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224928857 IUANOFLENBXCIX-UHFFFAOYSA-N 364.681 4.862 0 40 FJAB CCCCOc1c(Br)cc(Br)c2cccnc12 225392142 UIRBPACTAQYSFD-UHFFFAOYSA-N 359.061 4.939 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 408700924 OHLVODMKHZTLEA-UHFFFAOYSA-N 361.507 4.962 0 40 FJAB O=C(Nc1ccc(Oc2ccnc(-c3ccccc3)n2)cc1)c1ccco1 511926996 LQAFMNQKSVJAHB-UHFFFAOYSA-N 357.369 4.781 0 40 FJAB O=C(NCCC1Cc2ccccc2C1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1686093111 LJAVSRNBSWFQIV-XUTJKUGGSA-N 368.908 4.690 0 40 FJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(C)c4)c(N)c3cc2C1 661745 CLCVIUZTRUPUMY-CYBMUJFWSA-N 365.502 4.954 0 40 FJAB CCN(C(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1)c1ccccc1 1021417 DMYSEVMSSWIWHS-UHFFFAOYSA-N 358.441 4.914 0 40 FJAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)cc1 1505594 RARDZVYESBMZTI-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB CCOC(=O)c1cnc2cc3c(cc2c1Nc1cccc(C)c1C)OCO3 1586146 JLYHSWDJMBVDDM-UHFFFAOYSA-N 364.401 4.501 0 40 FJAB CC(=O)NC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(F)F 1592596 NPRLBMKFRSLGSQ-UHFFFAOYSA-N 362.178 4.935 0 40 FJAB O=C(Nc1cccc2ccccc12)N1CCN(c2ccccc2Cl)CC1 1867638 CWSIMGZVPWTXTF-UHFFFAOYSA-N 365.864 4.847 0 40 FJAB Cc1cc(C)c(NC(=O)CCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 3066054 STUHFOQOSGMRGY-UHFFFAOYSA-N 352.478 4.895 0 40 FJAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 3437400 NJWUVNNDUKUGDH-UHFFFAOYSA-N 358.869 4.520 0 40 FJAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC=CC[C@H]1Cc1ccccc1 4029406 SHPRRBDHATWGCT-AFXVXQJMSA-N 367.533 4.619 0 40 FJAB biogenic COc1ccc(-c2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1 4070794 ZJOIBFYPYAILOV-UHFFFAOYSA-N 370.861 4.781 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4650959 RMSLGCYKMYECDQ-VPGYMZKXSA-N 361.913 4.828 0 40 FJAB O=c1c(Cc2ccccc2)c(O)cc(-c2cccs2)n1-c1ccccc1 5450615 BDKBIMABHDDMHK-UHFFFAOYSA-N 359.450 4.862 0 40 FJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 5590976 AABDHRJJWMIVMZ-UHFFFAOYSA-N 362.882 4.646 0 40 FJAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(OCCC)c2)c1 6396945 ZCLAFTHZXIBQJM-UHFFFAOYSA-N 354.450 4.856 0 40 FJAB CCc1ccc(C(=O)CSc2nnc(NCc3ccccc3)s2)cc1 6619643 UOQKGTXXNYYEBM-UHFFFAOYSA-N 369.515 4.688 0 40 FJAB CN(C)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 6830411 XDTBCBSNQQYLHK-UHFFFAOYSA-N 364.420 4.723 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Cc1ccccc1 7978471 LFOSGFQQRAHXDF-UHFFFAOYSA-N 354.453 4.731 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1cc(C)ccc1C 8269492 YHFUBDNRUYVAMB-UHFFFAOYSA-N 359.853 4.875 0 40 FJAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc2sccc2c1 8704621 ANDOYQLIIVCIDK-UHFFFAOYSA-N 372.500 4.523 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1cccc(OCc2ccccc2)c1 8904657 BLGIQKVMLUDTFJ-UHFFFAOYSA-N 367.832 4.937 0 40 FJAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 11659782 PYXLAOLLYXUVPR-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccco1)Cc1ccccc1F 11915022 GHKMGSPEMSOOGG-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB CC(=O)[C@H](C)n1c(SCCOc2cc(C)cc(C)c2)nc2ccccc21 12062341 FPZZKNNAUNLEBR-INIZCTEOSA-N 368.502 4.974 0 40 FJAB O=C(NC1CC1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 14079630 QVWLURIREVABJW-INIZCTEOSA-N 354.208 4.531 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(F)ccc1F 18120565 ARGCKSZRNZYFLP-UHFFFAOYSA-N 370.321 4.836 0 40 FJAB Cc1ccc(CSCCNC(=O)CSCc2cc(C)cc(C)c2)cc1 20237898 HUQOEVFCIUJFPU-UHFFFAOYSA-N 373.587 4.895 0 40 FJAB Cc1ccc(C(C)C)c(OCCCn2c([C@H](C)O)nc3ccccc32)c1 21167780 XKDGUQLWHXVEJX-KRWDZBQOSA-N 352.478 4.991 0 40 FJAB CCn1cc(C(=O)Nc2ccccc2SC)c(=O)c2cc(Cl)ccc21 22234958 SBVZLOVJVRKILN-UHFFFAOYSA-N 372.877 4.649 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1Br 22237497 ULULJNRYERPPKS-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245632 YEEZDFSCJGEXOX-UHFFFAOYSA-N 355.438 4.919 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1F 23996313 YOYCAOBXHOBIIW-OAHLLOKOSA-N 371.415 4.927 0 40 FJAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccccc3O)c(C)c12 24925473 NCTYFQWHDXSLEV-UHFFFAOYSA-N 365.414 4.526 0 40 FJAB O=c1cc(C(F)(F)F)c2ccc(OCc3cccc4cccnc34)cc2o1 25811110 LTUXVEHQCSDCFR-UHFFFAOYSA-N 371.314 4.939 0 40 FJAB Cc1cccc(/N=c2\scc(-c3ccc(C(C)C)cc3)n2CCO)c1 27299201 JRBQBYMZICULAM-DQRAZIAOSA-N 352.503 4.873 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 29251785 YUUWKSMLXWMGKD-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB Cc1ccccc1N(Cc1ccccc1F)S(=O)(=O)c1ccccc1 31082178 CQNCOZIHGTUDMT-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc(C(C)C)cc3)n[nH]2)o1 31802332 PYMNVJDCYREVAC-ZHACJKMWSA-N 367.474 4.975 0 40 FJAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c(C)c1 32818797 IUIARYXKWQTDAP-UHFFFAOYSA-N 373.855 4.831 0 40 FJAB COc1cc(CSc2nnc(-c3ccc(Cl)s3)o2)cc(OC)c1 35586251 BCFFRCFXHLRHSB-UHFFFAOYSA-N 368.867 4.761 0 40 FJAB CCCOc1c(Br)cc(CNc2ccccc2)cc1OC 36815661 NZTUGUUWJLDPME-UHFFFAOYSA-N 350.256 4.859 0 40 FJAB CC(C)=C1OC(=O)C(C)(C)N2c3ccccc3[C@H](c3ccccc3)[C@@H](C)N12 38337607 OZZVROPRARXLBN-UZLBHIALSA-N 362.473 4.831 0 40 FJAB C/C1=C\CC[C@@](C)(O)/C=C\[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 43735997 AVRRAMZPNSQDIW-RIYJSMGESA-N 358.478 4.627 0 40 FJAB CCCN(C(=O)c1ccc(C)nc1)[C@@H](C)c1ccccc1Br 59120246 JFWBNNJHAGUZBW-AWEZNQCLSA-N 361.283 4.766 0 40 FJAB COc1ccc(CNC(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 59461427 USOKHWZRHNQKPS-OAQYLSRUSA-N 365.860 4.797 0 40 FJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1cccc2[nH]ccc12 70666453 AOSBSEIEBCIPSA-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCC2)nc1 72215953 OHDLWOKTXQLCHL-FQEVSTJZSA-N 365.477 4.546 0 40 FJAB O=C(CCc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357758 GKUKYGJBPLUYNE-XMMPIXPASA-N 370.496 4.969 0 40 FJAB C[C@H]1Sc2ccccc2N(C(=O)c2cnc(-c3ccco3)s2)[C@@H]1C 75106186 KVROZQHNZUXEKZ-VXGBXAGGSA-N 356.472 4.933 0 40 FJAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(C(F)(F)F)nc1 84414508 URIWMWFSZCENAN-UHFFFAOYSA-N 359.307 4.540 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)C1 102149525 JXXNDUQMXFZELW-FDDCHVKYSA-N 371.521 4.568 0 40 FJAB CC1(C)C[C@H](NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc2O1 218933078 ZVRNIVZNKRUPDQ-IBGZPJMESA-N 367.489 4.782 0 40 FJAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224170646 PZNJYXOBRJQDLX-UHFFFAOYSA-N 351.427 4.836 0 40 FJAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COCC(C)C 224451424 NSQNOBNTBKQDRC-UHFFFAOYSA-N 359.491 4.842 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(C)c1 225393643 OAPKKLFYUSCMBD-ICSRJNTNSA-N 369.505 4.964 0 40 FJAB COc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c(OC)c1 225492364 ZKHYHWZUAITWLS-GOSISDBHSA-N 358.507 4.778 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cc(C)cc(C)c1)CC(C)(C)O2 225680898 HAUNTYQCYUJCIO-GOSISDBHSA-N 370.518 4.901 0 40 FJAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(F)(F)F 225810308 OFXQUNOEFURLIS-UHFFFAOYSA-N 359.388 4.638 0 40 FJAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Cl 260781641 UEOGBWMNZFOLTR-OCBCSQNSSA-N 373.909 4.723 0 40 FJAB CSc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 408594506 HQBRNHQQRMJODI-UHFFFAOYSA-N 371.314 4.842 0 40 FJAB Clc1ccc([C@@H](Sc2ncnc3[nH]cnc23)c2ccccc2)cc1 507123379 NDKGQPULNRGBDP-INIZCTEOSA-N 352.850 4.888 0 40 FJAB Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1Cl 1150591453 IDEZRMDIYZSEPQ-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 830108 RZIBHHQIZDAISU-UHFFFAOYSA-N 374.440 4.898 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 995628 XYOZVZZWTBCKJP-LBPRGKRZSA-N 371.502 4.919 0 40 FJAB Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2onc(C)c2Cl)cc1 1403433 GQRYWPSILQFEHE-UHFFFAOYSA-N 368.820 4.740 0 40 FJAB Cc1cc(Br)ccc1NC(=O)c1cccc(Br)c1 1433957 GZNZTDRHUWPWCD-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1cc(Cl)cc(Cl)c1 1448692 ZFSJVJVRHKHSKP-UHFFFAOYSA-N 371.223 4.642 0 40 FJAB COc1ccc2oc(-c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1 1590392 XFFHKFCSJZQSMK-UHFFFAOYSA-N 356.853 4.514 0 40 FJAB Cc1ccc([C@]2(CCNC(=O)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 2095178 LUQWEIGNVATRAC-DENIHFKCSA-N 371.546 4.949 0 40 FJAB biogenic Cc1cc(C)c(NC(=O)COC(=O)c2csc3c2CC[C@H](C)C3)c(C)c1 2636491 XQMPBMPNVHUDRV-LBPRGKRZSA-N 371.502 4.594 0 40 FJAB Cc1ccc2c(CSCC(=O)Nc3ccc(C)c(C)c3)cc(=O)oc2c1 2638980 MFTPXSXCZHKHPK-UHFFFAOYSA-N 367.470 4.590 0 40 FJAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1-c1ccccc1 3323005 FFHFAGSSPFZTER-UHFFFAOYSA-N 365.816 4.803 0 40 FJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 3356751 HUQVHYDEUPYHAN-JTQLQIEISA-N 372.774 4.807 0 40 FJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C1=O 4190599 OQFDXTVYNVACPP-VZJWBNGJSA-N 367.876 4.831 0 40 FJAB CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 4508394 CGJAVKQQZHFWCM-UHFFFAOYSA-N 366.417 4.822 0 40 FJAB COc1ccc(-c2nc3ccccn3c2NCc2ccccc2)cc1OC 4848426 ISIIUCPKWWJWAM-UHFFFAOYSA-N 359.429 4.631 0 40 FJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 4854203 KLXDHGIOXYWTAQ-OAQYLSRUSA-N 361.445 4.524 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854351 IUIPYSHIQAFZSG-LJQANCHMSA-N 369.827 4.918 0 40 FJAB CC1(C)C2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC12OCCO2 4900120 OTRVYDAQFLISBU-ZLWSLIOBSA-N 360.538 4.689 0 40 FJAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[C@@H](CC)C2 5476667 CEDWZPZGLPUQFW-GFCCVEGCSA-N 351.512 4.814 0 40 FJAB COc1ccccc1CC(=O)Nc1nc(-c2ccccc2Cl)cs1 5559002 GTDXLPDHGPBEDK-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(Cl)c1 5584310 CAYAOVORTZFCIU-UHFFFAOYSA-N 365.907 4.836 0 40 FJAB CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 6440346 GESOTFDCLUIGJV-WQLSENKSSA-N 351.836 4.750 0 40 FJAB Cc1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7602191 DRQHXKYQHMBVSE-UHFFFAOYSA-N 355.250 4.560 0 40 FJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(-n2cccc2)cc1 8189584 DQOPMPOHWUIOGU-UHFFFAOYSA-N 373.500 4.740 0 40 FJAB Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 8914276 SLZJJYYESXYKHR-UHFFFAOYSA-N 374.853 4.723 0 40 FJAB Cc1ccccc1[C@@H]1CC(=O)c2cnn(-c3nc4ccccc4s3)c2C1 9698398 USZSCUPMBZEILA-AWEZNQCLSA-N 359.454 4.703 0 40 FJAB O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1 10218117 KFLRCCGVYGNAIR-UHFFFAOYSA-N 373.478 4.855 0 40 FJAB CCOc1ccccc1-c1nc(CC(=O)Nc2cc(F)ccc2C)cs1 11425865 QPAQMPGYNTVJOZ-UHFFFAOYSA-N 370.449 4.838 0 40 FJAB Cc1cc(Cl)ccc1OC(=O)C1CCN(c2nc3ccccc3o2)CC1 11463976 AETVGUUHTDCSKZ-UHFFFAOYSA-N 370.836 4.612 0 40 FJAB Cc1ccc(OCCSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 12939812 MGYXTISPKCGSQC-CQSZACIVSA-N 374.437 4.828 0 40 FJAB Sc1nnc(COc2cccc3ccccc23)n1-c1cccc(Cl)c1 13535173 IIMJVAAUMJKGEM-UHFFFAOYSA-N 367.861 4.942 0 40 FJAB COc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(Cl)c1OC 14668577 DWUYTDINORCZCY-UHFFFAOYSA-N 354.233 4.880 0 40 FJAB O=C(NCc1nc2ccccc2[nH]1)[C@H](Sc1ccccc1)c1ccccc1 16694923 ICNYSQBBVWBXOE-OAQYLSRUSA-N 373.481 4.713 0 40 FJAB O=C(OC[C@H]1CCCO1)c1ccc(COc2cccc3ccccc23)cc1 20123700 IMBJJHLYPNFDQA-HXUWFJFHSA-N 362.425 4.755 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 20151209 SLTKRJUYQXCYCB-UHFFFAOYSA-N 373.861 4.823 0 40 FJAB O=C(NCc1csc(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1 20501548 HYBHCIDXUQFAGW-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB COc1ccc(-n2nc(Nc3ccccc3C)c3c2C[C@@H](C)CC3=O)cc1 20796950 MWZNFMIDIWLGML-CQSZACIVSA-N 361.445 4.698 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)C(C)C 22475230 AFCLMMVYZQYMLB-SNVBAGLBSA-N 356.413 4.912 0 40 FJAB Cc1sc(NC(=O)CSC(C)C)nc1-c1ccc(OC(F)F)cc1 24743125 BIZMVMNQWDHQBN-UHFFFAOYSA-N 372.462 4.800 0 40 FJAB O=C(c1ccccc1)C1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 24843119 XOYUFRVFAZQAHG-UHFFFAOYSA-N 364.420 4.576 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2n1 27970570 KNUMWHRKLTWREY-UHFFFAOYSA-N 370.456 4.657 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)s1 29476542 LCQQMEJPYGGHTC-UHFFFAOYSA-N 370.455 4.529 0 40 FJAB Brc1ccccc1SCc1noc(-c2cccs2)n1 31626638 YDSGYPYUHQXASF-UHFFFAOYSA-N 353.266 4.853 0 40 FJAB Brc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1 37353197 HGMPBSCYUDOFQX-UHFFFAOYSA-N 356.248 4.887 0 40 FJAB Cc1cccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2C)c1 40306727 PSJDGRGJOPFKRC-UHFFFAOYSA-N 355.441 4.959 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 41306728 UDALHZFGRAESLS-UHFFFAOYSA-N 351.402 4.950 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078611 WOYGPEXEUQDDEP-QGZVFWFLSA-N 364.489 4.506 0 40 FJAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1N 72229316 NCXHFIUZFMRFIL-LBPRGKRZSA-N 361.848 4.692 0 40 FJAB CCC(=O)Cn1c(SCCOc2cccc(C)c2C)nc2ccccc21 76555480 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CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2240101 ALZPYSYWMOTWAK-UHFFFAOYSA-N 370.543 4.887 0 40 FJAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(Cl)ccc1Cl 2773570 JUAUORQNTNQRRQ-UHFFFAOYSA-N 356.077 4.941 0 40 FJAB Cc1ccc(N2[C@@H]3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 3196802 QKBJYJLZSLIWFC-RTWAWAEBSA-N 356.897 4.516 0 40 FJAB O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109788 KWKXPBAXTXSAKE-SOFGYWHQSA-N 350.340 4.551 0 40 FJAB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 4843928 RONWUDVZHQVPNE-ZFWWWQNUSA-N 360.479 4.666 0 40 FJAB COc1ccc(-c2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1OC 4968307 XSFVUXMDZSXEQE-UHFFFAOYSA-N 359.788 4.697 0 40 FJAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccccc1 5146496 PTRNZGVHYLJTPA-UHFFFAOYSA-N 367.861 4.897 0 40 FJAB O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)C1=CCCCC1 5179652 JNLUQDZFHNRMQO-UHFFFAOYSA-N 367.474 4.735 0 40 FJAB O=C(NCCN(C(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1 5683920 UBJFHQNSUUBTMV-UHFFFAOYSA-N 374.444 4.547 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1cc(C)cc(C)c1 6243032 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C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CCc2ccccc2)CC1 11720557 SORXNPAFAOYAEW-INIZCTEOSA-N 372.459 4.637 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc(SCCc3ccccc3)s2)cc1 12499601 QEVCXKNUIYJVET-UHFFFAOYSA-N 370.503 4.825 0 40 FJAB O=C(NCc1ccncc1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 12614691 BWSZMIUQDUXABR-DEDYPNTBSA-N 366.823 4.731 0 40 FJAB C[C@H](NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(F)cc1 13006784 YZUPVXLDTXSLEH-GNHXZDARSA-N 357.812 4.689 0 40 FJAB CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 13631985 JOGYTJAHVGPPLW-UHFFFAOYSA-N 360.413 4.590 0 40 FJAB COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1Cl 14412468 BJAFPIODQOJJFH-GFCCVEGCSA-N 363.866 4.554 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCc1ccccc1 17309834 KPRYXNWIVTWUAR-UHFFFAOYSA-N 360.288 4.836 0 40 FJAB COc1ccccc1/C=C/C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 19934153 DXECHZSLGCUOEY-GQRCBVMOSA-N 357.453 4.923 0 40 FJAB Clc1cccc(OCCSc2nnc3sc4ccccc4n23)c1 20823624 VIZKULVZKWULBX-UHFFFAOYSA-N 361.879 4.769 0 40 FJAB Cc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cn1 23442347 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CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccccc2OC)c1 224581550 JVGTVLTVEIDJGZ-MRXNPFEDSA-N 371.477 4.591 0 40 FJAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Oc1cccc2ccccc12 225094766 SCJLHJIYANUJGD-SFHVURJKSA-N 360.331 4.933 0 40 FJAB COc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1Cl 225123860 LLMYOADBEMGIAK-LJQANCHMSA-N 356.805 4.577 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 226270336 PKPSEQPWEVFRCH-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)CC2 1537981537 QSCXROJGUYDPPY-JOCHJYFZSA-N 373.500 4.552 0 40 FJAB O=C(NCCCc1ccccc1)NCc1cc(-c2ccsc2)cs1 1775972399 ZGMSDYNUWPSODO-UHFFFAOYSA-N 356.516 4.909 0 40 FJAB Cn1ccc2cc(C[C@H]3CCCN(Cc4ccc5[nH]ccc5c4)CC3)cnc21 2037838531 MHNIWVBSRMWXIB-SFHVURJKSA-N 372.516 4.899 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc2ccccc12 849423 HLZNBVFGIRGTSK-UHFFFAOYSA-N 366.848 4.582 0 40 FJAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(Cl)cc1 1024301 DIVAKFJXALAFFU-UHFFFAOYSA-N 368.849 4.516 0 40 FJAB 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360.822 4.549 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cc(C3CC3)nc21 8390251 FKGKYJBXFPPJBL-UZLBHIALSA-N 366.509 4.684 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CCC[C@H]4CCCC[C@H]43)cc(C3CC3)nc21 8390255 FKGKYJBXFPPJBL-OXQOHEQNSA-N 366.509 4.684 0 40 FJAB Cc1cc(O)c2c(c1)C[C@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 8549451 VZUZGWPYCWZJQF-URVDLECASA-N 366.501 4.505 0 40 FJAB COc1ccc(-c2nnc3sc(-c4oc5ccccc5c4C)nn23)cc1 8715079 YWFOJPNWJSZVNO-UHFFFAOYSA-N 362.414 4.583 0 40 FJAB CC(=O)Nc1ccc(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 9112373 XNEMQIQVFIXBLC-UHFFFAOYSA-N 374.440 4.927 0 40 FJAB Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 10290889 AHVVHAVOCJQDFV-NRFANRHFSA-N 369.461 4.789 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)c3ccccc3)cc2)o1 10365972 CBVRIXRGZQUQTD-UHFFFAOYSA-N 369.424 4.989 0 40 FJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(F)cc(F)c1 10491378 CWOXEHOPLBNGIS-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB Cc1nn(C)c(C)c1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12801713 ZXEPWGBMGKUYJT-UHFFFAOYSA-N 363.339 4.568 0 40 FJAB CCc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 13477735 OXYYKNUQJIEXFQ-UHFFFAOYSA-N 370.493 4.680 0 40 FJAB CC[C@@H]1CN=C(N(C(=O)c2ccc(C)cc2)c2ccc(C(C)=O)cc2)S1 14142298 HXLWDEIKANQUQO-LJQANCHMSA-N 366.486 4.726 0 40 FJAB COc1ccc(-c2csc(NCc3ccco3)n2)cc1Br 14240160 SYPBKBVVXRVKCP-UHFFFAOYSA-N 365.252 4.786 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c(OC)cc1Cl 16201356 FMFBYPZDHFFPLA-BVKQBWKVSA-N 361.825 4.726 0 40 FJAB CCCCCOc1ccc(C(=O)[C@H](c2ccccc2)N2CCOCC2)cc1 19313961 COTZOGYYCRNCHZ-QFIPXVFZSA-N 367.489 4.512 0 40 FJAB CCSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 20041576 CJDVPEQUPVDEPI-UHFFFAOYSA-N 362.303 4.906 0 40 FJAB Cc1nc(N2CCCC[C@H]2C)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 20673024 YRYNZQVFEZLRBH-DUSJZKHYSA-N 361.489 4.622 0 40 FJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccccc3Cl)n2)cc1 20888900 USNHVWAWENNEKV-UHFFFAOYSA-N 369.852 4.618 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nc(-c2ccco2)no1 22461643 PIUHJWRBDXRCFW-OUKQBFOZSA-N 357.369 4.649 0 40 FJAB COc1cc(CN[C@@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C 22773733 ZIKMGVKDGDHWAM-AUUYWEPGSA-N 358.482 4.547 0 40 FJAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2c1 28227071 XESDABZQFPLKGQ-HUUCEWRRSA-N 366.486 4.521 0 40 FJAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 30755183 OTWCEURKZWTQRN-SNVBAGLBSA-N 373.758 4.773 0 40 FJAB CC[C@@H](C)NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 30819241 GWQGQSONBUMJSY-LLVKDONJSA-N 369.461 4.620 0 40 FJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Cl)c2cccnc12 31645320 COZXRZFEUKXRBB-UHFFFAOYSA-N 373.161 4.770 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 32610127 CURFHYLBYFSQGB-VXGBXAGGSA-N 368.260 4.647 0 40 FJAB COc1ccc2nc(NC(=O)CCc3cc4ccccc4o3)sc2c1 32823584 YIZXKEHVPWZJIC-UHFFFAOYSA-N 352.415 4.622 0 40 FJAB CCc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1 41077031 FWPKZYWQKCXEEN-UHFFFAOYSA-N 363.461 4.533 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Br 44901756 BWWVLTKKMUYGJG-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 44904240 IIWHSIRIUCEYFT-CYBMUJFWSA-N 362.267 4.726 0 40 FJAB Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)cc12 84067885 DVBYVKBRIKQHDQ-IBGZPJMESA-N 363.461 4.806 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccccc1Br 89212737 RLNWRDKVJSXXPP-ZDUSSCGKSA-N 369.303 4.651 0 40 FJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccccc1OC(F)F 96759074 XOXXSFFCDLUOMJ-XFXZXTDPSA-N 374.774 4.596 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1Cl 101204158 YIFKVQREBRTGFQ-YKCBXCCJSA-N 367.876 4.831 0 40 FJAB CCOC(=O)/C(C(=S)Nc1ccccc1)=C(\C)Nc1c(C)cccc1C 103542850 VKMRFRCHILSCAD-FBMGVBCBSA-N 368.502 4.992 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 222852713 NIVBDENCSBYRSZ-RDTXWAMCSA-N 373.880 4.834 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(CC)cc1 222893704 HEPCTSZKCAXILD-NRFANRHFSA-N 369.505 4.554 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222959766 AEZAMGZCZLTFBY-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 223498329 OFHDXOICHXSZBE-AWEZNQCLSA-N 367.474 4.735 0 40 FJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1 225468991 NOUDDEYLFILXTQ-NSHDSACASA-N 367.287 4.944 0 40 FJAB CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1 225830369 KWQTUQHJQOCTQI-UHFFFAOYSA-N 359.388 4.782 0 40 FJAB Clc1ccc(CSc2n[nH]c(COc3ccccc3)n2)c(Cl)c1 409385056 IMKUFWFCRMXOBX-UHFFFAOYSA-N 366.273 4.983 0 40 FJAB O=C(N[C@@H]1CCc2ccc(F)cc21)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 521637751 MTOMXZQZVFJHKS-XYJFISCASA-N 363.354 4.752 0 40 FJAB FC(F)(F)c1ccccc1-c1ccc(-c2nc([C@H]3CCCO3)no2)o1 572078427 SJMNPGSILSYMSB-CYBMUJFWSA-N 350.296 4.867 0 40 FJAB Fc1ccc2c(C3CCN(Cc4csc(C5CC5)n4)CC3)noc2c1 582694353 LIGNDAPKCBIMAC-UHFFFAOYSA-N 357.454 4.680 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCC2 728750 WGDOFIPCKMMNFF-FMIVXFBMSA-N 373.449 4.595 0 40 FJAB CC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12 807288 IUNPTZLLAFNNAD-UHFFFAOYSA-N 360.335 4.501 0 40 FJAB COc1ccc(-c2nc3ccc(Br)cn3c2NC(C)(C)C)cc1 904239 HZZCWHHSGQZABE-UHFFFAOYSA-N 374.282 4.983 0 40 FJAB CC[C@H]1c2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1C 1706115 RTPSBRFMJKJZNR-DZKLMBRESA-N 356.462 4.996 0 40 FJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1 2428354 HHLFSADVXXGGKO-UHFFFAOYSA-N 373.412 4.776 0 40 FJAB aggregator CC(=O)CSc1nc(Nc2ccccc2)c2c3c(sc2n1)CCCC3 2597237 NIEHPTOHPYLTND-UHFFFAOYSA-N 369.515 4.995 0 40 FJAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1 3217178 IUKGRDNADWZASY-UHFFFAOYSA-N 373.452 4.690 0 40 FJAB O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C\c1ccccc1Cl 3349259 WACXBSRNDBBWME-ZROIWOOFSA-N 351.711 4.703 0 40 FJAB CC(=O)Nc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 3414077 BMIOUZZBPCLUTD-UHFFFAOYSA-N 358.397 4.726 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3ccccc3s2)c(C(C)(C)C)c1 4038738 ILUFUBBYRJLUPL-UHFFFAOYSA-N 354.475 4.920 0 40 FJAB COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 4131553 UHQVIUXUFNMAQB-GMAHTHKFSA-N 356.425 4.938 0 40 FJAB COc1cc(OC)c(NC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 6259280 ADQIYLUQFCQZRI-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2c1O 6574028 IZFNCGASZXCAGB-UHFFFAOYSA-N 355.747 4.645 0 40 FJAB COc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1OC 6607666 LADDKPBQFQVJRD-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2ccccc2-c2ccccc2)nc1C 6649836 BOLDLIYHUQJLTD-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cccc(OC(F)F)c1 7725402 KDVNRUIEAGNPJZ-UHFFFAOYSA-N 371.387 4.616 0 40 FJAB Cc1nc2cc(NC(=O)c3cc(Cl)ccn3)ccc2n1-c1ccccc1 7989782 FKMOTCAEBUXQBK-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB Cc1nc(SCC(=O)c2ccc[nH]2)c2cc(-c3ccccc3)sc2n1 8392738 UISICARFYPXCTB-UHFFFAOYSA-N 365.483 4.970 0 40 FJAB CC(C)c1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11074840 HUMNXTMBMHDJKD-UHFFFAOYSA-N 374.484 4.986 0 40 FJAB Cc1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1C 12274578 AAPWTTHRPFRSKV-UHFFFAOYSA-N 370.246 4.994 0 40 FJAB Cc1c(C(=O)OCc2nccn2C(F)F)oc2c1ccc1ccccc12 12540604 PMPXAIMGZVALNZ-UHFFFAOYSA-N 356.328 4.843 0 40 FJAB CCC[C@@H](C)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 12855663 JZMXENWBTGXXQL-SNVBAGLBSA-N 357.306 4.964 0 40 FJAB COc1cc(OC)c(NC(=O)c2cc(F)c(F)cc2Cl)cc1Cl 14716822 JBHFXOMYDZPYIZ-UHFFFAOYSA-N 362.159 4.541 0 40 FJAB Cc1csc(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)n1 18258491 CSGPVTQEZWMIAQ-RJAIZQQDSA-N 369.328 4.514 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20105560 RBBABYVAAXUHFD-RTWAWAEBSA-N 373.468 4.895 0 40 FJAB COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)C2 20672057 AJVCLCBRFYYNPE-UHFFFAOYSA-N 361.445 4.780 0 40 FJAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 22540317 HEKMFDBIIDJUGU-ZDUSSCGKSA-N 372.317 4.958 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1c(F)cccc1Cl 23786028 ZNUYIFWRKQHBKO-UHFFFAOYSA-N 371.843 4.554 0 40 FJAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)C1(c2ccccc2)CC1 24745407 YTSJVYAIWOSLOC-UHFFFAOYSA-N 353.425 4.672 0 40 FJAB COc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)cs2)c1OC 24776572 UNMUXWROSUUEAR-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)c1 27663782 HVJCOCYPBXPYAG-ZDUSSCGKSA-N 372.371 4.643 0 40 FJAB CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220653 RPILTHHQYJLIRL-SFHVURJKSA-N 356.897 4.753 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 28869864 OVXBRPKFSPTBLG-LBPRGKRZSA-N 372.881 4.553 0 40 FJAB O=C(NCCNc1nc2ccccc2s1)Nc1cccc2ccccc12 31657135 GLLNYHLCKGSXRE-UHFFFAOYSA-N 362.458 4.683 0 40 FJAB CCc1c(C(=O)Nc2cc(F)ccc2F)cnn1-c1cccc(Cl)c1 32796743 NVEYVJZPEMBHAA-UHFFFAOYSA-N 361.779 4.619 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36620543 HUQYOEXGOZUFDG-LJQANCHMSA-N 363.910 4.989 0 40 FJAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 38853500 GFCRUSXBRJBPHL-UHFFFAOYSA-N 360.860 4.963 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1 39762987 WTPSYCNLPIXDNT-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1 40132925 VZRPRXBZJJYBRT-HNNXBMFYSA-N 365.864 4.892 0 40 FJAB NC(=O)c1cccc(CSc2nnc(-c3ccccc3)c3ccccc23)c1 47438739 ASFYKXLONHSKOB-UHFFFAOYSA-N 371.465 4.688 0 40 FJAB COC(=O)c1cc(C)ccc1OCc1csc(-c2ccc(F)cc2)n1 60806071 QFLXXPOBMXXHTJ-UHFFFAOYSA-N 357.406 4.623 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(Br)cc2)C1 89212675 XFCAEYKWEOVRFN-CYBMUJFWSA-N 369.303 4.508 0 40 FJAB c1csc(CN2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)n1 96052552 ZYZGIIDYPSLCDQ-UHFFFAOYSA-N 350.487 4.883 0 40 FJAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 101084942 HZIHNGNMMJBILH-MAUKXSAKSA-N 373.250 4.527 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1C 219313056 VRHDEAAVHDIEME-HXUWFJFHSA-N 369.505 4.690 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](CC(C)C)c1ccccc1 219562244 YOFNBBUZAFGAJP-RBUKOAKNSA-N 355.478 4.756 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2cccc(C)c2)cc1 222878718 JMJQOKCCMURPPB-NRFANRHFSA-N 371.546 4.764 0 40 FJAB CCCCOCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC 224729298 SICAYKKIHJUBFP-UHFFFAOYSA-N 369.461 4.857 0 40 FJAB CCC1(CC)C[C@H](NC(=O)CSc2ccccc2)c2ccccc2O1 225010492 YUKUWJRQSMUUHY-SFHVURJKSA-N 355.503 4.978 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cn1 225870007 KYFKWPXKOKENKP-UHFFFAOYSA-N 358.869 4.974 0 40 FJAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccccc1 797515 HXHMFOCQKVNKSX-UHFFFAOYSA-N 358.898 4.856 0 40 FJAB CC1(C)C[C@@](CCNC(=O)Cc2ccccc2)(Cc2ccccc2)CCO1 797635 QFDKGALLGNBFEJ-XMMPIXPASA-N 365.517 4.554 0 40 FJAB Cc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 844028 MZVHPSRYUQKRPD-UHFFFAOYSA-N 372.268 4.732 0 40 FJAB CCOc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 1259865 XRMXYBCOYBUKRH-UHFFFAOYSA-N 360.417 4.977 0 40 FJAB S=C(Nc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 1326965 PFIQQLXAZBIRPZ-UHFFFAOYSA-N 353.516 4.873 0 40 FJAB Cc1c(-c2cc(=O)oc3cc4c(cc23)OCO4)oc2ccc(Cl)cc12 1448141 UCQNELMJIVRRCJ-UHFFFAOYSA-N 354.745 4.897 0 40 FJAB biogenic CCCCn1nc(NC(=O)c2ccccc2C)c2cc3ccccc3nc21 2361128 VAKCVVRMTWHAPK-UHFFFAOYSA-N 358.445 4.945 0 40 FJAB Brc1ccc(N2COc3ccc(Br)cc3C2)cc1 2365868 GPJYSQQMUAZRMM-UHFFFAOYSA-N 369.056 4.568 0 40 FJAB in-vitro CCN(C[C@@H](O)COc1ccccc1-c1ccccc1)C1CCCCC1 3253314 YBHHLHKOBZIVOS-OAQYLSRUSA-N 353.506 4.748 0 40 FJAB CN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(Cl)cc1 3433111 MLTGXPKLQPNWCJ-UHFFFAOYSA-N 370.852 4.725 0 40 FJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)c1 5790396 FNDBMZHCFCPUEH-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB CC(C)(C)c1ccc(OCCCC(=O)Nc2nnc(C3CC3)s2)cc1 6647568 WDKNCMWMAXSOSY-UHFFFAOYSA-N 359.495 4.511 0 40 FJAB Cc1cccn2cc(CN3CCC(c4nc5ccccc5s4)CC3)nc12 7487964 FWGAVXGFNOJFOB-UHFFFAOYSA-N 362.502 4.632 0 40 FJAB Cc1[nH]n2c(n/c(=N\[C@H]3CCCc4ccccc43)c3ccccc32)c1Cl 7779335 MDLQQKHLWXPTBB-DVCONVQISA-N 362.864 4.756 0 40 FJAB CCCCN1C(SCc2cccc(C)c2)=NS(=O)(=O)c2ccccc21 8024010 ATKUJCKSMFLZMB-UHFFFAOYSA-N 374.531 4.593 0 40 FJAB C[C@@H](O)CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8535040 KYZUSUPIICSWNS-OAHLLOKOSA-N 355.865 4.543 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3c(C)cc(C)cc3C)ccc21 9137257 ARBSLVQCGZRUMH-UHFFFAOYSA-N 364.489 4.943 0 40 FJAB Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3Cl)n2)c(C)c1 10132097 LRYMHOTXOQZISO-UHFFFAOYSA-N 359.256 4.882 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1c[nH]c2ccccc12 12927484 ABGJHLLDWANOKG-UHFFFAOYSA-N 360.379 4.778 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OC[C@@H]1CCCO1 12945012 LZOUQCGPUREACG-HNNXBMFYSA-N 365.351 4.516 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccccc2OCc2ccccc2)c1 14035492 ZQHDWERIHFVEHF-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CSc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 14092679 ZSTSIPCZLJPHNB-UHFFFAOYSA-N 374.556 4.874 0 40 FJAB Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(F)c1 14094122 FBZQMOPAZNBCQW-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2s1 17075467 IMYJIMPERJSLKB-UHFFFAOYSA-N 367.474 4.904 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(CN2CCCCC2)cc1 17076655 OWAIEBRDAITWTH-UHFFFAOYSA-N 374.484 4.843 0 40 FJAB COc1ccccc1NC(=O)c1cccnc1Nc1cccc(Cl)c1 22072168 XQLQSYAWPBKJBV-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB O=C(CSCc1cccc(Br)c1)Nc1ccc(F)cc1F 27464947 LZOQAXPOLAJWPK-UHFFFAOYSA-N 372.234 4.599 0 40 FJAB CCc1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccccn2)cc1 27740202 HDWBLEORMCSUSQ-UHFFFAOYSA-N 360.457 4.565 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 30893847 OBZLKBJMMIXFHN-AWEZNQCLSA-N 360.413 4.625 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc2oc(C3CC3)nc2c1 32818714 NEXXHLOTZDYBRB-UHFFFAOYSA-N 360.335 4.905 0 40 FJAB CC(C)Oc1cccc([C@H](C)NC(=O)c2nc(Cl)ccc2Cl)c1 40112750 OJHHTXDENQVWHT-NSHDSACASA-N 353.249 4.667 0 40 FJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1ccc(-c2ccccc2)[nH]1 40156781 WFZBHYNCAWVEKC-MRXNPFEDSA-N 350.437 4.973 0 40 FJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)C1CCCCCC1 58427406 DLBGKORMJISPOC-UHFFFAOYSA-N 360.498 4.976 0 40 FJAB COc1cc2c(cc1NC(=O)[C@H](C)NCc1ccccc1)oc1ccccc12 59924998 KGCACXSWZYRARR-HNNXBMFYSA-N 374.440 4.711 0 40 FJAB COc1ccc(C2(C(=O)N[C@@H](C)c3ccccc3OC)CCCCC2)cc1 69351585 UKMQXAISMHCXJK-KRWDZBQOSA-N 367.489 4.783 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 71763156 RMDSHMFCQQMUKD-FQEVSTJZSA-N 367.832 4.683 0 40 FJAB CN(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214195 FYZHCGHZEAECMQ-GOSISDBHSA-N 353.466 4.922 0 40 FJAB Clc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72358581 JTBQRKKTDAUNPS-GOSISDBHSA-N 364.880 4.572 0 40 FJAB COc1ccc2c(C)cc(SCc3nnc(-c4ccccc4)o3)nc2c1 89600764 KAFVKQBTFVSUFI-UHFFFAOYSA-N 363.442 4.894 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C(F)(F)F)c1 105675578 RHDJCPUYVWOFHR-JRPNMDOOSA-N 371.403 4.610 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219078613 WCGMISYEPKFABH-LJQANCHMSA-N 353.506 4.943 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 219849100 STPOAYZLONUUIR-UHFFFAOYSA-N 373.294 4.613 0 40 FJAB CCOc1ccc(Cl)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585160 FHQLGAMIVMCAMV-IGNZVWTISA-N 373.909 4.723 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(C4CCCC4)c3)N21 222717358 XEEOABPBRYGBPK-NSISKUIASA-N 366.534 4.978 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223444192 MNTFSHKMNHCDDQ-DYESRHJHSA-N 355.478 4.655 0 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GORMFLWWLXDPNF-XTQSDGFTSA-N 373.481 4.762 0 40 FJAB COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1 12322412 VYXWOXPDHPPDHH-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 12560131 SQGABQJOEBGEJL-UHFFFAOYSA-N 360.364 4.871 0 40 FJAB O=C(CCc1nc2ccccc2n1-c1ccccc1)Oc1ccc(F)cc1 12603731 LEDMMQIOKYTVKF-UHFFFAOYSA-N 360.388 4.703 0 40 FJAB Cc1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 12755695 HVCNTRFTORHZLA-MSOLQXFVSA-N 362.498 4.971 0 40 FJAB O=C(N[C@@H]1CCOc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 13004745 BGLFSURKWMOXRB-GOSISDBHSA-N 355.865 4.792 0 40 FJAB O=C(O)C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 13224951 WZZUQVVYGQRLFQ-FQEVSTJZSA-N 351.446 4.680 0 40 FJAB O=C(NC1CC1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 14079629 QVWLURIREVABJW-MRXNPFEDSA-N 354.208 4.531 0 40 FJAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc2cccnc12 14125762 GZQYOXVPMDPZAA-UHFFFAOYSA-N 358.441 4.715 0 40 FJAB O=c1c2c3c(sc2nc2n1CC[C@H](c1ccccc1)S2)CCCC3 16755281 NGUCAQMDQINSTC-CQSZACIVSA-N 354.500 4.574 0 40 FJAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 17198189 DZTOTINEAQLNFO-KRWDZBQOSA-N 367.392 4.883 0 40 FJAB CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2cccs2)cc1OC 22131698 HCYOWAMHZQXQDZ-CQSZACIVSA-N 365.882 4.786 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 22514502 CNAJTMYQGPFFKZ-KRWDZBQOSA-N 369.505 4.855 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 22560350 NSAJLUVHUBALPP-UHFFFAOYSA-N 364.449 4.591 0 40 FJAB CC(=O)c1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 23004102 VHPHXTJQCAXEPO-UHFFFAOYSA-N 361.323 4.570 0 40 FJAB CC(C)c1csc(NC(=O)c2ccc(COCC(F)(F)F)cc2)n1 25161784 NFRSLRRGWGQGTJ-UHFFFAOYSA-N 358.385 4.598 0 40 FJAB CCc1nc(SCc2cc(C)no2)nc(N)c1-c1ccc(Cl)cc1 25459648 NTQSDFIWXPLRRN-UHFFFAOYSA-N 360.870 4.530 0 40 FJAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 28238527 OQEQRVBEPVJIJF-GFCCVEGCSA-N 353.388 4.609 0 40 FJAB C[C@@H](c1ccc2ccccc2c1)N1CCC(NC(=O)c2ccccc2)CC1 40157333 FLOGTFBNOSSIMO-SFHVURJKSA-N 358.485 4.795 0 40 FJAB CCOc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCC 41005064 VPJSHPYXXJMJID-UHFFFAOYSA-N 361.239 4.790 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(CN2CCCCC2)cc1 44873249 BOUDSIJCBXIJMN-OUKQBFOZSA-N 368.908 4.656 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1cccc(C(F)(F)F)c1 72064038 SJVDSGZPJCTBEP-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB COc1ccc(-c2csc(CNC(=O)CCC3CCCCC3)n2)cc1 72265247 ZVNXXHLUOONFFB-UHFFFAOYSA-N 358.507 4.795 0 40 FJAB O=C(Nc1cccc2ccccc12)c1cc(-c2cc(Cl)ccc2O)n[nH]1 72427471 NHFLXNAAEXTIDC-UHFFFAOYSA-N 363.804 4.841 0 40 FJAB CCSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344145 XGQGHUQHHAHRGC-WDEREUQCSA-N 374.318 4.699 0 40 FJAB Fc1ccc(CN2CCC(NCc3ccc4ccccc4c3)CC2)cc1F 84605864 UKNYEPIQGAEZAX-UHFFFAOYSA-N 366.455 4.872 0 40 FJAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CCCCC2)C3)cc1 100425230 KCBCXSLTVXTFQT-FGZHOGPDSA-N 354.538 4.577 0 40 FJAB CCCOc1ccccc1C[C@H]1C(=O)Nc2ccc(Br)cc21 101016687 OGVVITICWROQLF-OAHLLOKOSA-N 360.251 4.516 0 40 FJAB C[C@H](N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cc(Cl)cc(Cl)c1 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FJAB c1ccc(Nc2nnc3nc(-c4ccccc4)c(-c4ccccc4)nn23)cc1 1610138 PRPSBQGULXZBKE-UHFFFAOYSA-N 364.412 4.597 0 40 FJAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2ccccc2)c(=O)c2ccccc21 2229094 FGNITFACKAFCQQ-UHFFFAOYSA-N 372.399 4.597 0 40 FJAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1Br 3428289 NJTCZGSKSCOIRK-UHFFFAOYSA-N 373.077 4.728 0 40 FJAB CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)N1CCCCC1)CCCC2 4193659 PWNZQDIWJUPQCS-FQEVSTJZSA-N 369.534 4.556 0 40 FJAB COc1ccccc1C(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 4736803 PAAJHYLNKPYWEL-UHFFFAOYSA-N 374.396 4.770 0 40 FJAB FC(F)(F)c1cnc([C@H](c2ccc(Cl)cc2)c2nc[nH]n2)c(Cl)c1 5253714 OPHGNHBOHLICJV-LBPRGKRZSA-N 373.165 4.706 0 40 FJAB CCc1ccc(C2=NN=C(c3ccc(OC)cc3)c3ccccc3N2)cc1 6821907 MPGHJKQKQXFSER-UHFFFAOYSA-N 355.441 4.882 0 40 FJAB Cc1ccc(Sc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)cc1 6966380 IAMPZTLJBXBDIK-FYJGNVAPSA-N 364.430 4.895 0 40 FJAB Clc1cc(CSc2ncnc3ccccc23)cc2c1OCCCO2 6991400 ZUKLEKQNIKGNMV-UHFFFAOYSA-N 358.850 4.737 0 40 FJAB O=C(/C=C/c1cccs1)OCc1ccc(C(=O)Nc2ccccc2)cc1 7549989 OLPFADDIHWFENR-OUKQBFOZSA-N 363.438 4.757 0 40 FJAB COc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OC 8109902 VYOYTCCNMXOAHH-UHFFFAOYSA-N 356.647 4.732 0 40 FJAB O=C(/C=C/c1cccs1)N1CCc2sccc2[C@H]1c1ccccc1 8115260 PPKDYJIRAZFQTJ-NDDJGDGRSA-N 351.496 4.997 0 40 FJAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2cccc(Cl)c2)o1 8191567 RSZNLABKCGGVBG-LLVKDONJSA-N 374.849 4.762 0 40 FJAB COc1ccc([C@@H]2SCCN2C(=S)Nc2cccc(Cl)c2)cc1 8830065 HWMGCIBPEVSOIV-INIZCTEOSA-N 364.923 4.793 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 8914582 ARVULBVMXVMWTP-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3o2)CC1 8920093 KLBSQBUILCLEMK-HNNXBMFYSA-N 374.444 4.818 0 40 FJAB CCc1cccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 10289103 OOQITWWTENNNHL-NRFANRHFSA-N 369.461 4.734 0 40 FJAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)cc1 13751653 HDSQGPXQMQIOBF-GOSISDBHSA-N 361.489 4.911 0 40 FJAB Cc1ccccc1OCCSc1nc2ccccc2c(=O)n1CC(C)C 13987727 WJXHMIBDMZUHIN-UHFFFAOYSA-N 368.502 4.532 0 40 FJAB c1ccc(Cc2nnc(SCc3cc(-c4cccs4)on3)o2)cc1 14160163 PGDMPVKHYFMBGF-UHFFFAOYSA-N 355.444 4.669 0 40 FJAB CSc1ncccc1C(=O)N1CCC(CCc2ccc(C)cc2)CC1 14170147 DFYCLCNWHPTQPY-UHFFFAOYSA-N 354.519 4.597 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc2ccccc12 15086265 SUBMHTRQBAQINY-UHFFFAOYSA-N 354.837 4.861 0 40 FJAB Cc1ccc(OCCSCC(=O)Nc2cccc3ccccc23)cc1 15497620 RQBQSFJEDBOSCW-UHFFFAOYSA-N 351.471 4.899 0 40 FJAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 15580444 UVYNXQGBAOZFQT-UHFFFAOYSA-N 353.397 4.570 0 40 FJAB CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCCCC1 15831552 NNVDSYWTGOXECY-FQEVSTJZSA-N 372.553 4.736 0 40 FJAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)oc2c1 15831674 BJHUQASACBUWIL-KRWDZBQOSA-N 366.461 4.518 0 40 FJAB O=c1nc(SCc2ccccc2F)c2c(n1C1CCCCC1)CCC2 15840346 DAOSNQSAIBUGQV-UHFFFAOYSA-N 358.482 4.669 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145042 WXVQHQIZXGSJJT-IZZDOVSWSA-N 353.805 4.744 0 40 FJAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)CC(C)C 20611375 YZAGTHWVKWGYQB-UHFFFAOYSA-N 359.813 4.536 0 40 FJAB CCCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21170836 BLRLMIHADJKURY-NRFANRHFSA-N 372.553 4.736 0 40 FJAB Cc1ccc(N(Cc2ccco2)C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 24837878 ISMASPRXVUBFMA-UHFFFAOYSA-N 374.444 4.761 0 40 FJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(F)c(F)c3)o2)cc1 28230415 YRUQPEAHBYZXPU-UHFFFAOYSA-N 371.339 4.592 0 40 FJAB C[C@@H]1c2ccsc2CCN1C(=O)Cc1csc(-c2ccccc2)n1 30549589 ZHSCWAKPADOTIH-CYBMUJFWSA-N 354.500 4.560 0 40 FJAB O=C(Cc1cccc(F)c1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 31265335 VMZJKMPQUZWXEF-UHFFFAOYSA-N 363.392 4.651 0 40 FJAB C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1F 32744602 KIBCIPGCNMJYMI-CYBMUJFWSA-N 358.413 4.664 0 40 FJAB COc1cc(Cl)c(NC(=O)c2cc(-c3ccc(C)cc3)no2)cc1OC 32833503 JTCYCESQEIHHRY-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)c1cc(-c2cccc(Cl)c2)on1 40087708 BQOPXESWWSJWSV-UHFFFAOYSA-N 368.820 4.597 0 40 FJAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccccc1 40396245 GRNLIQNZVJRSBC-HNAYVOBHSA-N 372.472 4.771 0 40 FJAB Cc1cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2n1 41097167 MCXBOSYTPMPOSB-UHFFFAOYSA-N 368.241 4.618 0 40 FJAB O=C(NCc1cccc(Cl)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44839259 TXNFWHOFWGXQSW-UHFFFAOYSA-N 361.832 4.813 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Br)c1 44840398 KHBNQUWVSMUGLW-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB CCc1ccc2c(CN3CCC[C@H]3c3cccc(OC)c3)cc(=O)oc2c1 57562996 SIWHBSPRRKSWHS-NRFANRHFSA-N 363.457 4.701 0 40 FJAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc(Cl)c1 65813447 DIYMCXQCLSIVAO-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(C(C)C)cc1 76555432 NETSLJAMLRVPJG-QFIPXVFZSA-N 361.489 4.891 0 40 FJAB Cc1ccc2c(CNc3cccc4c3CN(C(C)C)C4)cc(=O)oc2c1C 95460350 YASHNRBCZHUEOI-UHFFFAOYSA-N 362.473 4.746 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1F 219579396 LOFBLFZRSQOLKK-IBGZPJMESA-N 373.468 4.521 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1cccc(Cl)c1Cl 222971088 SJGFIPDXZLVQIN-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB CCCc1ccc(OCCNC(=O)CSCc2cc(C)cc(C)c2)cc1 223402176 MMKRAVHGRANVIO-UHFFFAOYSA-N 371.546 4.684 0 40 FJAB Cc1ccc(OCCCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223699680 SHAYAYLUXZLFOV-UHFFFAOYSA-N 369.505 4.647 0 40 FJAB CC(C)Oc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223705551 BGODDFLDCMROTP-UHFFFAOYSA-N 355.478 4.580 0 40 FJAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1Cl 224137081 DGWZJLAXZHMZHF-UHFFFAOYSA-N 373.880 4.800 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1cccc(Cl)c1 224485381 RXODFFYWSUPKRX-CQSZACIVSA-N 361.869 4.846 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225139965 PIUSNBHKSWQUGQ-INIZCTEOSA-N 369.461 4.619 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)COc2ccc(C)c(C)c2)c1 225214316 USLMGFAJFRQVKU-LJQANCHMSA-N 369.505 4.698 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(CC)cc1 225624873 PTCSFAOFKHZMNK-UHFFFAOYSA-N 356.535 4.957 0 40 FJAB COc1cc2c(cc1S(=O)(=O)Nc1c(C)cccc1C(C)C)CCCC2 225870415 KJARMWYDUFWOEO-UHFFFAOYSA-N 373.518 4.807 0 40 FJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1 225908089 IJPGPZNUHHHVBQ-FQEVSTJZSA-N 350.503 4.965 0 40 FJAB Cc1cc(N)cc(Br)c1NC(=O)c1cccc2ccccc12 226763391 VFBKDPCGTUPJOG-UHFFFAOYSA-N 355.235 4.745 0 40 FJAB c1cncc(-c2ccc3c([C@@H]4CCCN4Cc4cccs4)ncn3c2)c1 306123358 AKXDYIKPQILULJ-IBGZPJMESA-N 360.486 4.795 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1 585148077 NJCHCMMGWIESRX-SECBINFHSA-N 369.920 4.655 0 40 FJAB O=C(c1ccc(Cn2cccc2)cc1)N1CC[C@@H]1c1ccc(Cl)cc1 1326196848 GQMDBYMUMLWUOG-HXUWFJFHSA-N 350.849 4.777 0 40 FJAB COc1ccc(CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)c(F)c1 1560463810 GIFDFJLBOVBSQQ-HNNXBMFYSA-N 352.409 4.872 0 40 FJAB Cc1ccsc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615158545 QVQMEYPJFUFWQT-OAQYLSRUSA-N 372.509 4.859 0 40 FJAB Cc1ccccc1C(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C 2444554 KYROXCMUHIVICY-UHFFFAOYSA-N 374.465 4.828 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 3236224 DYUYUWJRZDMXCO-UHFFFAOYSA-N 369.852 4.712 0 40 FJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 3293954 NFGWUVKRVLMFEP-UHFFFAOYSA-N 370.857 4.960 0 40 FJAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2n1 5848850 GHVTYJZVBDWLQR-UHFFFAOYSA-N 360.196 4.581 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccccc3Br)c(C)c2c1 6552740 MLAVCIBXGVGJHV-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB COCc1c(C(=O)Nc2ccc3c(c2)CCC3)sc2cccc(F)c12 6789437 KFJLDAPKSLHMFF-UHFFFAOYSA-N 355.434 4.928 0 40 FJAB Cc1cccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)c1C 6968337 WKWIOQKCHFYBAV-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(Cl)cc(Cl)c1 6969269 CLLDAJRIYAZMPQ-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 7600904 RSKAXSHCULCAAN-HSZRJFAPSA-N 372.468 4.746 0 40 FJAB Cc1ccc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cn2c1 7674193 LYGCMOAFZUIKGX-UHFFFAOYSA-N 367.503 4.590 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)[C@H]1CC=CCC1 7734710 IMMJBNRJNHWYPB-AWEZNQCLSA-N 352.400 4.991 0 40 FJAB O=C(Nc1ccc(F)cc1Cl)c1cc(C2CC2)nn1-c1ccccc1 8071825 SNTRPUOIRDFLKD-UHFFFAOYSA-N 355.800 4.795 0 40 FJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 8560919 QDTVQILVFQCZBY-HNNXBMFYSA-N 355.434 4.681 0 40 FJAB COc1ccccc1[C@@H](CCN(Cc1ccco1)C(C)=O)c1ccccc1 9530537 ZIKLZKNJXZNMSP-NRFANRHFSA-N 363.457 4.859 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 9690427 OPKWMDXATIMVHM-UHFFFAOYSA-N 366.486 4.829 0 40 FJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c2cccnc12 12735730 DWWOGSODFNSTJQ-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB C[C@H](NC(=O)COc1ccccc1C(F)(F)F)c1cc2ccccc2o1 12805428 VDILECSLUQBDPN-LBPRGKRZSA-N 363.335 4.708 0 40 FJAB Fc1ccc(-c2noc(CN3CC=C(c4c[nH]c5ccccc45)CC3)n2)cc1 12910933 RZDRLBNJEZDESK-UHFFFAOYSA-N 374.419 4.646 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13800244 WUYKWGBQZCUCIQ-XHVUQVIVSA-N 353.849 4.522 0 40 FJAB COc1ccc(N(c2ccc(OC)cc2)c2ccc(C(=O)O)s2)cc1 16216867 FUXJEHRDBNLGDE-UHFFFAOYSA-N 355.415 4.933 0 40 FJAB COc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cn1 17296405 PCZYBOPCFONVQT-UHFFFAOYSA-N 364.470 4.552 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2)s1 18702461 ZCHAWCJUKVPXGY-UHFFFAOYSA-N 364.257 4.693 0 40 FJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccccc2-n2cccn2)nc1 19215582 ZYUOIGFZJSZKKK-OAQYLSRUSA-N 374.513 4.711 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 20238765 SJJOOLJULOJBKH-SFHVURJKSA-N 353.531 4.790 0 40 FJAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1 22072595 LETDVQAKOWLFMX-UHFFFAOYSA-N 368.234 4.840 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1Cc2ccccc2O1 24709525 DUBCTDOZWDSVJT-GOTSBHOMSA-N 369.420 4.642 0 40 FJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Cl)cc1F 24831425 WNSRCKJBOOIWLZ-UHFFFAOYSA-N 353.850 4.675 0 40 FJAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cc2ccccc2o1 28441431 LYJJRGYVJIBJTH-OAHLLOKOSA-N 371.440 4.987 0 40 FJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCCc1cccs1 32987959 VGNZWKZEQCPVKF-UHFFFAOYSA-N 356.413 4.794 0 40 FJAB O=C(CCCOc1ccccc1)Nc1ccc(Br)c(Cl)c1 59289849 FJNUCIZCARLWSE-UHFFFAOYSA-N 368.658 4.900 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351967 LLJSXXDFDXBUDN-AOMKIAJQSA-N 363.457 4.883 0 40 FJAB Cc1cc(C(=O)CSc2nnc(OC(C)C)s2)c(C)c(C)c1C 60529877 AVPGNVKXGLRSAC-UHFFFAOYSA-N 350.509 4.534 0 40 FJAB Cc1cc(I)ccc1NCc1ccc2ncccc2c1 69501623 OFBIAXTWUDFRBS-UHFFFAOYSA-N 374.225 4.760 0 40 FJAB O=C(NO[C@H]1CCCCO1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 72059825 MAALBWHBZUIQEO-HNNXBMFYSA-N 372.273 4.910 0 40 FJAB Fc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348859 KFGVDMXOURLCTK-HXUWFJFHSA-N 361.464 4.586 0 40 FJAB c1ccc2[nH]c(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)cc2c1 96194023 QNQZWCLOIAPRLM-UHFFFAOYSA-N 357.398 4.747 0 40 FJAB c1ccc2c(c1)OC1(CCN(CC3CC3)CC1)C[C@H]2NCc1ccsc1 96242803 BBBSZFDYLWUGKK-HXUWFJFHSA-N 368.546 4.606 0 40 FJAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccnc(F)c1 97108962 ZMSRMVMONDDEPB-SFHVURJKSA-N 367.468 4.583 0 40 FJAB COc1cccc(-c2c(NC(=O)c3ccccc3)oc3ccccc3c2=O)c1 100778511 KRZMLTOUNCGRON-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic O=C(Nc1nc(C(F)(F)F)cs1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103165000 FGRWPGHYRUVFTN-GIHOKJNXSA-N 364.820 4.678 0 40 FJAB Cc1ccccc1[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)CCS1 219279341 GYNZDUPBTJHGAL-LJQANCHMSA-N 359.922 4.898 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(C4CCCC4)c3)N21 222717412 XEEOABPBRYGBPK-PWIZWCRZSA-N 366.534 4.978 0 40 FJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222845814 SBICLHRWPNCMGL-PMACEKPBSA-N 363.486 4.723 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222977965 FVMKIUWCEPCPIW-QRWLVFNGSA-N 355.453 4.739 0 40 FJAB S=C(NCCOc1ccc2ccccc2c1)Nc1ccc(Cl)cc1 223645587 MYXLGUJSFKJBHS-UHFFFAOYSA-N 356.878 4.859 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc3c(c2)CCCC3)cc1 223662157 UGWMMUZPNZSBQO-UHFFFAOYSA-N 351.490 4.672 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccccc1C 223915690 IAEBUNQCLIGKFU-JTSKRJEESA-N 351.490 4.909 0 40 FJAB C[C@@H](CNC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 224556671 NAPCZEYADJAMEG-KRWDZBQOSA-N 372.468 4.500 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCC3)o2)cc1 224920936 GKJZHSMUGATFDK-UHFFFAOYSA-N 362.429 4.643 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl 224935274 ZKLFHBWVPBQIQS-HNNXBMFYSA-N 358.869 4.655 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1 225094531 HYUBKXGDRBHKJW-KRWDZBQOSA-N 352.352 4.705 0 40 FJAB O=C(NCc1cccnc1-c1cccs1)c1ccccc1C(F)(F)F 225759779 GFRNMVVTIDGYMI-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB Cc1nc2cc(NC(=O)NCc3ccc(-c4ccoc4)nc3)ccc2s1 390832328 YRFVBXNRZPWGPB-UHFFFAOYSA-N 364.430 4.581 0 40 FJAB O=C(CSc1cccc(O)c1)N1c2ccccc2CCc2ccccc21 541833664 JPPFJHSJHGVDET-UHFFFAOYSA-N 361.466 4.948 0 40 FJAB COC(=O)CCCCC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361321 XBSRJHJHFMXJAW-UHFFFAOYSA-N 356.262 4.640 0 40 FJAB C/C=C/C(=O)Nc1ccc(-c2nc3cc(NC(=O)/C=C/C)ccc3o2)cc1 813309 CJYWXFFBNVDDNB-GGWOSOGESA-N 361.401 4.524 0 40 FJAB CN1c2ccccc2Oc2nnc(N3CCC(Cc4ccccc4)CC3)cc21 1027280 QPCWQCCVFAZPQC-UHFFFAOYSA-N 372.472 4.809 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 1397287 RJGNAAXFGKJRBV-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cccnc1Cl 2158661 BROIWVKCSQXWKM-UHFFFAOYSA-N 364.735 4.530 0 40 FJAB CCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1CC 2208066 OVOXLFPEPHDUJY-UHFFFAOYSA-N 354.837 4.690 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)c3c(C)cc(=O)oc3C)ccc21 2245638 FOEHGPZFXZSVOV-UHFFFAOYSA-N 360.413 4.637 0 40 FJAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1 2319044 WBEGFGOIQNPNBF-CQSZACIVSA-N 372.515 4.516 0 40 FJAB Cc1nc(SCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCC3 3243082 VUSDOLHTRIAFCB-UHFFFAOYSA-N 356.472 4.509 0 40 FJAB CC(=O)Nc1cccc(Nc2ncnc3sc4c(c23)CCCCC4)c1 3443137 QPVCUAQSXMSYIW-UHFFFAOYSA-N 352.463 4.662 0 40 FJAB CC(C)CCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033438 KQGCJSDHXBWASU-INIZCTEOSA-N 365.452 4.742 0 40 FJAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1cccs1 4942913 KTLRRCWYTKCZRD-UHFFFAOYSA-N 353.487 4.934 0 40 FJAB Cc1ccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)c(C)c1 5119713 VQVBDJZRSJIBCV-ZRDIBKRKSA-N 353.425 4.568 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 6126451 RWCOXJGTLDSBKL-UHFFFAOYSA-N 372.380 4.534 0 40 FJAB O=C(c1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3s2)CC1 7889108 IPIOSPRQYSXFIV-UHFFFAOYSA-N 362.498 4.805 0 40 FJAB Cc1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)on1 12185350 NCCBVYPZRWQPPM-KRWDZBQOSA-N 369.396 4.535 0 40 FJAB CN(Cc1nc2ccccc2n1C(F)F)Cn1c(=S)oc2ccccc21 12519915 NTRJKJOUYAKVAJ-UHFFFAOYSA-N 374.416 4.798 0 40 FJAB C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 12633814 DSWLQLGUHDHAFU-GFCCVEGCSA-N 371.897 4.845 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1F 12760559 LVBRZPGPLDIGCG-MNOVXSKESA-N 356.224 4.777 0 40 FJAB CCc1cccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 12870125 PEKCOOUKJDIYCD-OAQYLSRUSA-N 351.471 4.595 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccccc1 13709008 XWLIMRLRNZAUQY-QGZVFWFLSA-N 365.498 4.657 0 40 FJAB COc1ccccc1CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14673864 BWUXBOJGVKRELF-UHFFFAOYSA-N 351.377 4.557 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(C(C)C)cc1 20044397 PKTLZQONWDZGLZ-FQEVSTJZSA-N 359.897 4.980 0 40 FJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 21837214 JNASZDXIQNLFOV-GFCCVEGCSA-N 360.479 4.773 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235262 GUMXZYWZUIBUHW-UHFFFAOYSA-N 373.239 4.507 0 40 FJAB Cc1ccn2c(NC(=O)c3ccco3)c(-c3ccc(Cl)cc3)nc2c1 27023880 MNJDWGHXDUVQPY-UHFFFAOYSA-N 351.793 4.808 0 40 FJAB Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2Cl)o1 28238983 YJJIQSVEKWNNFE-UHFFFAOYSA-N 355.821 4.750 0 40 FJAB CC(=O)Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1 31798755 FUEXIXQUMVUJFD-HSZRJFAPSA-N 364.489 4.625 0 40 FJAB C/C=C/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 32908300 KGFHWYOZJXQQKB-VNKDHWASSA-N 363.280 4.952 0 40 FJAB Fc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 33262431 ZILLJDOFVHLIPX-UHFFFAOYSA-N 364.405 4.625 0 40 FJAB Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1C 33725223 PDNYFQFOTSXSSU-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB CCn1ncc(-c2cc(C(F)F)nc(NCc3ccc(C)cc3)n2)c1C 36618629 KLRYHMJQWZGLHK-UHFFFAOYSA-N 357.408 4.527 0 40 FJAB O=C(NCc1cccc(COCc2ccco2)c1)c1c(F)cccc1Cl 40091100 JWZOEUJGWMOBTQ-UHFFFAOYSA-N 373.811 4.719 0 40 FJAB CC(C)Oc1cccc(CSc2nnc(-c3ccncc3)n2C2CC2)c1 40134457 SGDLEUBFTGXDSZ-UHFFFAOYSA-N 366.490 4.755 0 40 FJAB Cc1cc(C)cc(OCCC(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1 40156308 RQQDYXOPXWGJKQ-UHFFFAOYSA-N 364.445 4.983 0 40 FJAB Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c2ccccc2n1 48286904 HZLJQCVBQXDUOZ-UHFFFAOYSA-N 371.415 4.924 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Cl)cc1Cl 55175452 OGQDPWGMIQWRDY-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72219308 IUOMTGZQYMUHRC-SFHVURJKSA-N 359.514 4.842 0 40 FJAB Clc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377600 XOKPIUQNKKGASG-SFHVURJKSA-N 365.868 4.606 0 40 FJAB COc1ccccc1[C@H](CNC(=O)c1ccc(-c2ccsc2)cc1)OC 96384822 JLUSOZPULNOKBM-FQEVSTJZSA-N 367.470 4.541 0 40 FJAB CCCCc1nc(CN2CCC(OC3CCCCC3)CC2)c(Cl)[nH]1 97105586 HQIKBSJWLFWMLR-UHFFFAOYSA-N 353.938 4.719 0 40 FJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1F)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194636 FGRICAIZIHIJBY-VEYQCYSTSA-N 355.384 4.960 0 40 FJAB COc1cccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)c1 100981004 IIENEJIWEHGATJ-KRWDZBQOSA-N 373.243 4.650 0 40 FJAB CC1(C)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C2=C(O)C1 102523413 QLDQDSHSKCTSRY-CQSZACIVSA-N 362.355 4.605 0 40 FJAB O=C(NCCCc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1 218977718 MBWPGYXOCWMEEX-UHFFFAOYSA-N 363.432 4.767 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)CCc2ccc(Cl)c(Cl)c2)c1 224112668 JQPLZQSVMZITLS-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COC(C)C 224432425 MNTFTKSTXJIVHV-CQSZACIVSA-N 361.869 4.765 0 40 FJAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COC 224685052 QHVRPTVPBKSPFB-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCC2)cc1 224924973 KGQNRJSWJDTGLI-HXUWFJFHSA-N 352.478 4.700 0 40 FJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C)c1OC 1080714 NVXRUXDFJFNPIE-QFIPXVFZSA-N 374.440 4.783 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 1228972 ZORPRWNIHCQZMZ-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 1434471 YHTFMBTXZQZWSS-PXLXIMEGSA-N 369.420 4.919 0 40 FJAB COc1ccc(C2=NN(C(=O)C3CCCCC3)[C@H](c3ccccc3)C2)cc1 1440271 SEJMPNARAFTNLH-QFIPXVFZSA-N 362.473 4.953 0 40 FJAB CCOC(=O)c1ccccc1NCCC(=O)c1ccc(Cl)c(Cl)c1 3131949 DXEZUTOHGMWMOQ-UHFFFAOYSA-N 366.244 4.855 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3c4ccccc4C[C@H]3C)cc12 3212851 PMDFVQLGNRILJE-CQSZACIVSA-N 373.481 4.987 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2F)c2cc3ccc(C)cc3nc21 5070699 LREOIUWRUBNYCK-UHFFFAOYSA-N 362.408 4.694 0 40 FJAB CCOc1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 5558821 KWHGOTKBBSYOPA-UHFFFAOYSA-N 373.449 4.534 0 40 FJAB C[C@@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 5668013 LWHBGPRMQHXEBC-KEQVLUGWSA-N 354.421 4.951 0 40 FJAB Cc1cc(OCC(=N)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1Cl 8324365 WBEMJRQMLQWRIL-UHFFFAOYSA-N 370.836 4.694 0 40 FJAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1 8472036 CCCXKKPTICLBBR-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cc(Cl)cc(Cl)c1O 8642178 WWFGDXMRTHHGOV-QFVQWYESSA-N 360.196 4.709 0 40 FJAB O=C(CSc1ccc(Cl)cc1)NCCSCc1ccccc1F 10280208 UVHJOJFXOSKLMR-UHFFFAOYSA-N 369.914 4.621 0 40 FJAB CC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 11024387 ULRAOEOTBMTJKC-QGZVFWFLSA-N 373.452 4.812 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(-n2cccc2)c1 12532683 RBKDTGGORDPFBQ-OAHLLOKOSA-N 361.470 4.920 0 40 FJAB COc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1Cl 12784735 FNNDCUYNBGWUOO-UHFFFAOYSA-N 364.879 4.689 0 40 FJAB Cc1ccc(NC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c(F)c1 12998207 DFQHBNIBJCBGCP-VQHVLOKHSA-N 352.409 4.846 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cc1Cl 14246392 TXWNVCYCJPREBA-IBGZPJMESA-N 354.837 4.551 0 40 FJAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1Cl 14283612 RWPYCMBLKRLRCR-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB COc1cccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)c1 17198374 KHJQZORSLQICMY-INIZCTEOSA-N 354.258 4.781 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN([C@H](C)c1ccccc1)CO3 20609956 XCGDCYSKRQYRDW-MRXNPFEDSA-N 363.457 4.967 0 40 FJAB biogenic O=C(Cc1ccc(Cl)cc1Cl)N[C@H](c1ccccc1)c1ccccn1 23685690 XQJLXUIBCNEMJA-HXUWFJFHSA-N 371.267 4.837 0 40 FJAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1 27795681 FKOYUZFCVFVALU-UHFFFAOYSA-N 371.820 4.554 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 30751553 CDKSQPLAGAHDHJ-NHCUHLMSSA-N 355.478 4.756 0 40 FJAB COc1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1F 31781992 NNROUPQWHSWRMF-UHFFFAOYSA-N 366.364 4.554 0 40 FJAB NC(=O)c1cccnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1 32769760 DMBHLVSHDKKEIU-QGZVFWFLSA-N 354.862 4.716 0 40 FJAB COc1cccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)c1 35592655 MERDXBQHHZZUNJ-UHFFFAOYSA-N 367.405 4.599 0 40 FJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(Cl)cc3)c2c1 38487336 PMQRIYFSLMAVRZ-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58081583 FQVKZURGBHTZGG-INIZCTEOSA-N 360.860 4.638 0 40 FJAB O=C(Cc1cccs1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 58177792 KDJHJNXUSBCSNQ-LJQANCHMSA-N 357.425 4.669 0 40 FJAB CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccccc1Oc1ccccc1)C2 67678717 HTKQRAIIEOKGCT-UHFFFAOYSA-N 373.456 4.623 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(N(CC)CC)nc1 71844376 KCKPDLAKDRADHN-RTWAWAEBSA-N 365.521 4.726 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72348607 XYBGOOLIOCHMDR-IBGZPJMESA-N 360.432 4.908 0 40 FJAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3cccc4cccnc34)C2)n1 72369943 GZONVEQPKWAKBS-LJQANCHMSA-N 370.456 4.583 0 40 FJAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(Cl)cc2Cl)C1 72404736 UNUKHMPYTCOKSD-CYBMUJFWSA-N 362.216 4.955 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1scnc1C1CC1 89678145 XVEIKTVGOCJEFV-UHFFFAOYSA-N 361.898 4.917 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(F)(F)F 96586394 ODRSACDOFPBXMX-CYBMUJFWSA-N 363.379 4.990 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COC 224685746 PAUXMTSVLHSULM-UHFFFAOYSA-N 353.340 4.503 0 40 FJAB Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1F 225605418 KNUUVAQYJPJTPM-NRFANRHFSA-N 369.461 4.510 0 40 FJAB COc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225677309 KOHVJDRVWJSIBZ-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB CC[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)c(OC)c1 225717881 LKORXYQFMLQGQS-CQSZACIVSA-N 364.898 4.795 0 40 FJAB CSc1ccccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225771767 NAMXDFTVDLJFJH-UHFFFAOYSA-N 361.879 4.833 0 40 FJAB O=C(CCc1nc(-c2ccccc2Cl)no1)NC1CCCCCCC1 225811953 OOAZPUJRYVYOIU-UHFFFAOYSA-N 361.873 4.552 0 40 FJAB COc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1OC 225850056 CIFZVJUWTNLIAW-UHFFFAOYSA-N 362.520 4.521 0 40 FJAB C[C@@H](NC(=O)NCC1(C)CCCCCC1)[C@H]1CCN(Cc2ccccc2)C1 1225094161 KSUGTCUQTQPGOR-CTNGQTDRSA-N 371.569 4.557 0 40 FJAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(C)n1[C@H]1CCCOC1 1651474254 DEXLJOQMPDTYQI-BEFAXECRSA-N 374.912 4.943 0 40 FJAB O=C(CSc1ccccc1)Nc1c(C(=O)C2CC2)oc2ccccc12 870288 JAIYILUGKXILTP-UHFFFAOYSA-N 351.427 4.756 0 40 FJAB COC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](C(C)(C)C)C2 1909866 SQFNUVPYTHQRNV-GFCCVEGCSA-N 351.512 4.670 0 40 FJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](CC)c1ccccc1 2346011 QUGHNWCOSGGXQM-OAHLLOKOSA-N 368.408 4.616 0 40 FJAB CCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 2371326 XFXQAFLQJUVBAE-UHFFFAOYSA-N 350.809 4.510 0 40 FJAB CCCCCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 2742702 BJBRYKMJIGYZQQ-QGZVFWFLSA-N 368.462 4.917 0 40 FJAB COc1ccccc1-c1nnc(SCCOc2c(C)cccc2C)o1 3350158 YQZOABACPSQTKF-UHFFFAOYSA-N 356.447 4.533 0 40 FJAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NC(=O)c1ccc(F)cc1 4678309 VJHLONOBNHOXFP-UHFFFAOYSA-N 364.207 4.785 0 40 FJAB CCOC(=O)c1sc(NC(=O)CSc2cc(C)ccc2C)cc1C 4950631 XKLXZFYZLMGMPW-UHFFFAOYSA-N 363.504 4.581 0 40 FJAB COCc1c(C(=O)Nc2cc(C)ccc2OC)sc2cccc(F)c12 5404603 BOCHCKCQPKXRMC-UHFFFAOYSA-N 359.422 4.756 0 40 FJAB O=C(Oc1ccc(-c2nnco2)cc1)C1c2ccccc2Oc2ccccc21 6261593 ZIACKJSYPIGXFJ-UHFFFAOYSA-N 370.364 4.580 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2Cl)c1 6810621 FITAOXUGXYJLBB-UHFFFAOYSA-N 369.848 4.849 0 40 FJAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 6859421 YDVGBLILESFJHW-YVEFUNNKSA-N 363.288 4.988 0 40 FJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(Cc2ccccc2)CC1 7781816 JVQGHCYJHVQPTJ-HNNXBMFYSA-N 353.491 4.814 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 8494972 OHMAPDDMEGIQSV-LJQANCHMSA-N 351.490 4.552 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2cc([C@H](C)CC)ccc2O)cc1 9064154 CDFOZLISKFSDTQ-CYBMUJFWSA-N 356.491 4.595 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccc(C)c(OC)c3)sc2C)cc1 9515297 QHPYXTLGYBHKJA-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nc2ccccc2s1 9746576 QHHFCXHBNSWDOC-GOSISDBHSA-N 361.470 4.684 0 40 FJAB CCCCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12 11614196 VQFREVVHAUIBCL-UHFFFAOYSA-N 361.507 4.583 0 40 FJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCCCC1 12619426 UGEIHRDMFUOLRN-VAWYXSNFSA-N 363.486 4.627 0 40 FJAB C[C@@H]1CCN(C(=O)c2cccc(Br)c2)c2ccccc2S1 12761838 DUDQLVLQMCLJMO-GFCCVEGCSA-N 362.292 4.980 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3Cl)c12 12777530 FXIQKUPBIBAETD-JTQLQIEISA-N 355.825 4.553 0 40 FJAB CSCC[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1nc2ccccc2[nH]1 12919106 XXJHIFSSYDKBBC-BEFAXECRSA-N 367.518 4.667 0 40 FJAB Cc1ccccc1CSCCNC(=O)c1ccc(N2CCCCC2)cc1 14397376 MVARXLINJYCJGW-UHFFFAOYSA-N 368.546 4.649 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 14400140 UTYPTJBQMGWTRJ-LLVKDONJSA-N 368.658 4.817 0 40 FJAB O=C(Cn1nc(-c2ccncc2)oc1=S)c1ccc(-c2ccccc2)cc1 16768907 UBYGXBUZZZWOPS-UHFFFAOYSA-N 373.437 4.817 0 40 FJAB CCCCOCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 17074608 HSIWMFWTHXZYDB-UHFFFAOYSA-N 362.473 4.838 0 40 FJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccncc1C)CC2 19239531 JZBCRFNHIGSIIL-XMMPIXPASA-N 374.484 4.555 0 40 FJAB COc1cccc(-c2cc(C)nc([C@H]3CCCN3C(=O)C3CCCC3)c2)c1 19690649 YBUKXDIWQZRKHO-JOCHJYFZSA-N 364.489 4.919 0 40 FJAB Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(-c4ccccc4)cs3)n2)cc1 19819617 WVPHVMSXNHOSMP-UHFFFAOYSA-N 360.442 4.612 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Br 20110761 DBFKAKQFIYNDPZ-CQSZACIVSA-N 368.658 4.899 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCc1ccccc1 20454430 OIMGOVQYFAIGQK-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB CCN(CC)Cc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1 24926888 HIQAGMYCGXKGAI-UHFFFAOYSA-N 372.534 4.658 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220835 GGOGEQKTRJDWKH-QGZVFWFLSA-N 372.896 4.508 0 40 FJAB O=C(Nc1ccn(Cc2ccccc2)n1)C(c1ccccc1)c1ccccc1 28304719 UXZJQSCWRLIDGU-UHFFFAOYSA-N 367.452 4.702 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 32963888 DDQQYSWTNYNHHJ-UWJYYQICSA-N 366.505 4.902 0 40 FJAB CCCCOc1c(Cl)cc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC 32973863 AMBWLNCFSNUIGG-UHFFFAOYSA-N 373.840 4.656 0 40 FJAB COC(=O)c1c(NC(=O)c2cc(SC)ccc2Cl)sc(C)c1C 32988938 MBVVZQYKZZQPTK-UHFFFAOYSA-N 369.895 4.779 0 40 FJAB Cc1ccc(C)c(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 35310802 MQMMKRBBAHWFKD-MRXNPFEDSA-N 364.518 4.756 0 40 FJAB CC[C@H]1CCCCN1c1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 36618601 VWUJPNPQOLLUGN-AWEZNQCLSA-N 365.399 4.940 0 40 FJAB CSc1cccc2sc(NC(=O)c3cc(-c4ccco4)on3)nc12 36709522 CMRHOENRUWMHTH-UHFFFAOYSA-N 357.416 4.519 0 40 FJAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38852387 RJWKTRWFUQLKJA-LJQANCHMSA-N 360.929 4.559 0 40 FJAB CC(C)(C)C(=O)N1CCCc2cc(NC(=O)Oc3ccccc3)ccc21 41107717 STGVDELUPMCKPG-UHFFFAOYSA-N 352.434 4.623 0 40 FJAB Cc1cc(CNc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)no1 55879100 PDQARGFCQCATFH-UHFFFAOYSA-N 361.873 4.653 0 40 FJAB CC(C)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1 56411450 DGDYUPCGEIXQKZ-AWEZNQCLSA-N 362.420 4.655 0 40 FJAB C[C@@H](C(=O)Nc1cccc(Cl)c1)n1c(-c2cccs2)n[nH]c1=S 58430226 LQFVKAPMPFAVOM-VIFPVBQESA-N 364.883 4.522 0 40 FJAB Cc1nc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)oc1C 65803391 KOIXAJJVWVEZBQ-UHFFFAOYSA-N 353.344 4.507 0 40 FJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1ccncc1 72402885 DRXHYPDIZQGPQI-OAHLLOKOSA-N 365.260 4.539 0 40 FJAB CCC(CC)n1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C 89943208 IXLXUVKMBGRBPF-UHFFFAOYSA-N 367.415 4.844 0 40 FJAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 95944625 RQAJHSOLVPIATO-NSHDSACASA-N 368.308 4.673 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 168427685 VCTLNUYPMBPRDQ-WHPHWUKISA-N 356.293 4.702 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 216344615 GXIADZOLNNHQBZ-INIZCTEOSA-N 369.505 4.811 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219294148 OIMJRGPOMHFMPD-INIZCTEOSA-N 353.462 4.976 0 40 FJAB Cc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1C 223418650 NLRPSPJNTLPNJU-UHFFFAOYSA-N 363.910 4.634 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)CCSCc2ccccc2)cc1 224278696 UAVDCXIRCKBPMM-UHFFFAOYSA-N 371.546 4.803 0 40 FJAB CCOc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225107378 RXRHGCLAMPIQAN-QFIPXVFZSA-N 362.425 4.827 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(C)cc1 225340846 RGBQALUYYWCUIN-JTSKRJEESA-N 351.490 4.909 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(F)cc1 225472956 HOJFJVYCNALISU-SECBINFHSA-N 371.250 4.775 0 40 FJAB O=C(CCc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 228928347 UDOBMGIRPQUEPQ-UHFFFAOYSA-N 364.272 4.646 0 40 FJAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCOCC1 257295793 QZWNOUZLMGUOQZ-MRXNPFEDSA-N 357.519 4.669 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCSC2CCCCC2)cc(C)c1Cl 408706113 VJUOOCQLRLJGLL-OAHLLOKOSA-N 369.958 4.906 0 40 FJAB Cc1ccc(NC(=O)CSCc2ccccc2Br)cc1C 408781513 TYIVEMVIGZVEHP-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)C1(C)C 653828186 RLBSXCNVWJANRB-ZENOOKHLSA-N 361.436 4.847 0 40 FJAB CCOC(=O)c1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 956519 XBAWLRFIQGXGMC-UHFFFAOYSA-N 361.323 4.569 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCCC2 1081675 YTUBZBOVGOBCNW-UHFFFAOYSA-N 357.475 4.754 0 40 FJAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)cc1 1329966 VQKCZEWQDTYFEI-UHFFFAOYSA-N 350.443 4.870 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1cccc(Cl)c1Cl 1438528 VRLBRIHWPQMNMG-UHFFFAOYSA-N 353.230 4.865 0 40 FJAB CN1CCC(c2ccccc2)(C(O)(c2ccccc2)c2ccccc2)CC1 1584522 LRLNVPXQNIADKK-UHFFFAOYSA-N 357.497 4.586 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1C 2723060 AURCCKRQBVLODJ-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB Cc1sc(-c2ccccn2)nc1OC(=O)c1cccc(C(F)(F)F)c1 3116637 DHDTZOXZIJRYMO-UHFFFAOYSA-N 364.348 4.752 0 40 FJAB COc1ccc(Br)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3333593 VJHHQOFVIDRARX-UHFFFAOYSA-N 374.156 4.729 0 40 FJAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(F)c(F)c1F 3344678 QVSGEIOEAPAKGY-QMMMGPOBSA-N 368.405 4.833 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)NCCn1ccc2ccccc21 4800867 XFUHOTQBBSOFRW-UHFFFAOYSA-N 358.441 4.623 0 40 FJAB CCOc1ccc2[nH]c3c(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2c1 5177104 IEHHAKLIOWSHEN-FPTDNZKUSA-N 364.493 4.915 0 40 FJAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 5256048 QWEHXOGGFJTNCQ-IBGZPJMESA-N 371.362 4.543 0 40 FJAB COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccco3)sc2c1 5299713 DGBXGXSVQHFSIP-UHFFFAOYSA-N 364.426 4.745 0 40 FJAB Cc1cc(-n2c(C)cc(C(=O)CSc3ccc(F)c(F)c3)c2C)no1 5565376 GTIDZQIPALBITC-UHFFFAOYSA-N 362.401 4.644 0 40 FJAB CC(C)(C)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)on1 6607858 IISZZYXOZGUYLB-UHFFFAOYSA-N 372.428 4.835 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cnn(-c2ccccc2)c1 8193434 CLMHWXDJBRDBPE-UHFFFAOYSA-N 360.461 4.505 0 40 FJAB CCOc1ccc(OCCCc2nc(-c3ccccc3Cl)no2)cc1 8428318 LTOZNYIXEVEIKE-UHFFFAOYSA-N 358.825 4.800 0 40 FJAB CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 8613183 KJBNPDHVQMIBAD-OAQYLSRUSA-N 356.554 4.855 0 40 FJAB Cc1csc(SCc2nnc(-c3ccc(Br)cc3)o2)n1 8734206 FBRFOSQWMBREOZ-UHFFFAOYSA-N 368.281 4.556 0 40 FJAB Cc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1C 9063282 FKMIZCAEOSOXMU-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 9164886 SEYGSSWFHKHRJZ-UHFFFAOYSA-N 350.462 4.573 0 40 FJAB O=C(Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1)c1ccccc1 12598670 ZWKQRMTVSSXZPY-UHFFFAOYSA-N 366.369 4.880 0 40 FJAB O=C(NCCc1cccc2cccnc12)c1ccc(Oc2ccccc2)cc1 12903481 PUFMOGJZQLRFGK-UHFFFAOYSA-N 368.436 5.000 0 40 FJAB Fc1ccc(OCCN2CCC(c3nc4ccccc4s3)CC2)cc1 13656162 LPSROPADLOYPAV-UHFFFAOYSA-N 356.466 4.694 0 40 FJAB Cc1cccc2c1N(C(=O)c1cccc(OCc3cscn3)c1)CCC2 14226272 NHJRFGXZWVTLHK-UHFFFAOYSA-N 364.470 4.624 0 40 FJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 14399652 LQKUZRHKLMEGRP-UHFFFAOYSA-N 363.288 4.914 0 40 FJAB COc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1 19929046 OGPSAJNRZZAJQO-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB COc1cccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 23126589 OAQPKAVYVFWAPY-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1cnn(Cc2ccccc2)c1 25986124 HOAWCCQXFREJHW-UHFFFAOYSA-N 369.424 4.976 0 40 FJAB Cc1ccc(-c2noc(CS[C@@H](C)C(=O)Nc3cccc(C)c3)n2)cc1 28909012 QANFDTJESSSYIT-HNNXBMFYSA-N 367.474 4.614 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccccc1C 30859755 NTHDRDQJAPLSSG-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB CN(Cc1ccccc1Br)C(=O)c1occc1-c1ccccc1 30896717 OUFHJKGOCQKNIB-UHFFFAOYSA-N 370.246 4.981 0 40 FJAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc(Br)cc1 32512459 LNUGLCQBFHQZNH-LLVKDONJSA-N 365.296 4.610 0 40 FJAB O=c1cc(-c2ccccc2)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 36077497 WBPDKLWKBUJZLE-UHFFFAOYSA-N 365.742 4.853 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1F 40156218 WYICYZHISBKXJG-UHFFFAOYSA-N 350.796 4.861 0 40 FJAB c1ccc2sc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc2c1 58161196 WAEYRHCZASHIII-QGZVFWFLSA-N 366.486 4.795 0 40 FJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(OCC(F)(F)F)nc1 58314128 PMJSRVVYXFNHRF-UHFFFAOYSA-N 372.346 4.942 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2cc(Cl)ccc2o1 69609399 LFIVMOYGOCBDNT-GFCCVEGCSA-N 360.866 4.793 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1OCc1ccccc1 72212076 KFRBPYHHUUULLY-GOSISDBHSA-N 354.450 4.733 0 40 FJAB Fc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 72348943 FPPQYDHVIICLTM-IBGZPJMESA-N 361.464 4.586 0 40 FJAB O=C(Cc1cccs1)Nc1ncccc1OCc1cccc(Cl)c1 84367791 ASMLQVWTSPTEDT-UHFFFAOYSA-N 358.850 4.557 0 40 FJAB Cc1ccccc1NC(=O)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 85562283 HSCHCRRYIXEBJJ-KRWDZBQOSA-N 365.260 4.907 0 40 FJAB Cc1noc(-c2ccccc2)c1NC(=O)N(C)Cc1cccc(Cl)c1 95942308 RWCMRUOBXXEBJJ-UHFFFAOYSA-N 355.825 4.967 0 40 FJAB CO[C@@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1cccc(F)c1 96388343 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40 FJAB CCN(CCC1CC1)C(=O)c1ccc(-c2ccc(OC)cc2F)cc1F 622511404 AYITUJHAYNOGDV-UHFFFAOYSA-N 359.416 4.903 0 40 FJAB CC1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 2049238432 SPFIKHYEPDYDPC-PPUJWOGTSA-N 360.538 4.689 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)C(CC)CC)c1 682994 CYYCXPNERSUGHI-UHFFFAOYSA-N 354.450 4.712 0 40 FJAB CC(C)(C)C(=O)N[C@@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl 872965 WVXWVLDNRMVICQ-CYBMUJFWSA-N 374.699 4.505 0 40 FJAB CCc1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)s1 873812 NWWWFYLWQAFVFL-UHFFFAOYSA-N 358.275 4.874 0 40 FJAB CCC[C@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 2347330 TYBJYLIJUQBXHX-INIZCTEOSA-N 372.266 4.597 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1csc(COC(=O)C(C)(C)C)n1 2383531 RSIGJLFRZWJOHM-UHFFFAOYSA-N 356.447 4.863 0 40 FJAB O=C(COc1ccccc1Cl)N(c1nccs1)C1CCCCC1 3298863 HGKWQQBINADYAT-UHFFFAOYSA-N 350.871 4.541 0 40 FJAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c2ccccc2n1 3392943 HGUGSIANCPGXIP-ZDUSSCGKSA-N 353.805 4.625 0 40 FJAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(C(F)(F)F)cc1 4138218 LXSNIFQTLJXOEH-UHFFFAOYSA-N 372.390 4.996 0 40 FJAB CCOc1ccccc1[C@@H](c1ccccn1)c1ccc2cccnc2c1O 4369586 MKQGCHRJFARUDN-OAQYLSRUSA-N 356.425 4.914 0 40 FJAB COc1cc(NC(=O)C(C)(C)C)ccc1NC(=O)c1cc2ccccc2o1 4487783 IKWYLRRSMJAWKJ-UHFFFAOYSA-N 366.417 4.678 0 40 FJAB CCc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4555327 QJJAKYLKEIFYTC-SFHVURJKSA-N 355.507 4.506 0 40 FJAB O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccccc1Cl 6258708 BTPXKOIAHQVBDW-UHFFFAOYSA-N 371.314 4.599 0 40 FJAB CCCCCNCc1cc(Br)cc(Br)c1OC 7261254 KHWUIKKATKSRBA-UHFFFAOYSA-N 365.109 4.500 0 40 FJAB COCc1c(C(=O)Nc2ccc(Br)cc2C)oc2ccccc12 7304538 DYQQVARZDDAYGV-UHFFFAOYSA-N 374.234 4.902 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2cccc(Cl)c2)n1 7623697 RPCNZKJTFWUTTA-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c(C)c1 7922236 TXBKBEFIKYASQI-OAHLLOKOSA-N 353.491 4.545 0 40 FJAB Clc1ccc(Cc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393173 SWXYRERBHLGLJZ-UHFFFAOYSA-N 372.906 4.722 0 40 FJAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 8915203 SOCSMZIZGHSVIW-HNNXBMFYSA-N 350.418 4.618 0 40 FJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(F)cc3)C2)cc1 9134500 UYNXDSFXLIDGEN-LJQANCHMSA-N 367.449 4.955 0 40 FJAB CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 9204460 BGWUPDHRZDBPHZ-UHFFFAOYSA-N 355.459 4.511 0 40 FJAB Cc1ccc(-c2cc(NC(=O)c3ccccc3Br)on2)cc1 9306787 ZMQSEDCBXDYXCL-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB C[C@@H](Sc1nc(C2CC2)nc2ccccc12)c1nc2ccccc2c(=O)[nH]1 9836494 JOXBSCNFABDBTR-GFCCVEGCSA-N 374.469 4.597 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc2ccccc2s1 11101571 PATXRDMJKAJDKA-ZDUSSCGKSA-N 354.500 4.507 0 40 FJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 12225816 JBRRDITURBQYQG-UHFFFAOYSA-N 363.421 4.571 0 40 FJAB O=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)c2sccc2N1 12428769 JKIYGHDOZIKPIV-KRWDZBQOSA-N 353.418 4.940 0 40 FJAB CCN(CC)C(=S)SCc1c(-c2ccccc2)nc2sccn12 12761406 GBWZPXSLWRCGLJ-UHFFFAOYSA-N 361.561 4.923 0 40 FJAB CCc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3)o2)cc1 14196800 MUNZPMBLJIHTLS-GFCCVEGCSA-N 371.437 4.557 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 15268702 MYUVAXHUUMUMIE-CYBMUJFWSA-N 361.445 4.503 0 40 FJAB Cc1ccc2c(c1)CCCN2Cc1csc(-c2ccc3c(c2)OCO3)n1 17074958 GGEPEWUMEDZBGM-UHFFFAOYSA-N 364.470 4.800 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)c(OC)c1 20034824 YNTUMDLRMIXZAW-LJQANCHMSA-N 365.429 4.653 0 40 FJAB Cn1ccnc1[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(F)c1 23778708 IPVKJGKNWLKWRX-GXOAENINSA-N 371.500 4.617 0 40 FJAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(Cl)c1 26479461 BJVSEMXYOUREBS-GFCCVEGCSA-N 370.802 4.818 0 40 FJAB CN(C)Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 29952357 VBOJFPVVKXLGEO-UHFFFAOYSA-N 354.450 4.868 0 40 FJAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1cccc(C(F)(F)F)c1 33571520 CSWYVHXTPDNHKT-MDZDMXLPSA-N 369.346 4.814 0 40 FJAB CCc1cc(C(=O)Nc2ccccc2)c2c(C)nn(Cc3ccccc3)c2n1 36621603 UEKBTMBSIOMPLO-UHFFFAOYSA-N 370.456 4.603 0 40 FJAB CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1cccc2ccccc12 36649128 KLFGCAXICPHMAK-UHFFFAOYSA-N 354.409 4.768 0 40 FJAB CC1(C)CC(N(Cc2ccncc2)Cc2ccc(F)cc2)CC(C)(C)N1 36740458 YVOSKCJVBOLONE-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 40128271 NEVWQRFZQAMHEN-UHFFFAOYSA-N 366.440 4.764 0 40 FJAB O=C(Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)N1CCCCC1 41127140 BKBCADMMBCOYIF-UHFFFAOYSA-N 354.837 4.703 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(c2ncccn2)CC1 45762709 JYVVLBGCFMQNTD-UHFFFAOYSA-N 366.509 4.579 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 55770658 VAWIOBBCIMDXNP-UHFFFAOYSA-N 373.880 4.816 0 40 FJAB c1ccc(COc2ccc(-c3noc(CN4CCCCCC4)n3)cc2)cc1 57427774 PPVZSYSXWTZGGO-UHFFFAOYSA-N 363.461 4.692 0 40 FJAB CC[C@@](C)(NCc1c(C)nn(-c2ccccc2)c1Cl)c1nccs1 72305189 ZAMAXPIWTYONNC-GOSISDBHSA-N 360.914 4.706 0 40 FJAB O=C(NCc1nc2ccccc2s1)C1(c2cccc(F)c2)CCCCC1 84603452 BYOQFEXVHWCYDF-UHFFFAOYSA-N 368.477 4.954 0 40 FJAB CC1(C)C(=O)[C@]2(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC[C@@H]1C2 100748420 PDTXSQCTLQNEOG-YKSBVNFPSA-N 361.485 4.611 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219072437 IFHQPSCIQNDPLZ-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2Br)cc1 222873520 PVWJWKVBEPMIFQ-QGZVFWFLSA-N 362.267 4.808 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223246874 GFFPYOZJNPUUTB-UTKZUKDTSA-N 351.490 4.827 0 40 FJAB CC(C)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224708832 VTVMXYKMFVAEPJ-MRXNPFEDSA-N 353.462 4.759 0 40 FJAB O=C(NCc1ccnc(-c2cccs2)c1)NCc1cccc2ccccc12 225652818 IQXAHHORTDADLR-UHFFFAOYSA-N 373.481 4.963 0 40 FJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225690997 ZYQQDMSGEYAWOW-KUHUBIRLSA-N 371.905 4.534 0 40 FJAB Nc1ccc(Cl)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 226343865 HVQQIPINDIMZAD-UHFFFAOYSA-N 357.038 4.881 0 40 FJAB C[C@@H]1[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](N(C)C)CC[C@@]5(C)[C@@H]4CC[C@]32CN1C 253595622 GPLGAQQQNWMVMM-XJYAZGNWSA-N 356.598 4.810 0 40 FJAB biogenic,in-vitro CC(C)Oc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 408680407 RVVTXJCLWHYUNU-UHFFFAOYSA-N 363.910 4.790 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cccc2ccccc12 585147897 GPWGRCIBPRGGAK-OAQYLSRUSA-N 357.409 4.563 0 40 FJAB Fc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)c1 633140 DPGVZPQXVQZGBC-UHFFFAOYSA-N 365.220 4.966 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 669276 KHALBAUTFDPYGL-NSHDSACASA-N 368.658 4.817 0 40 FJAB CCc1sc(NC(=O)c2ccc(OC)cc2OC)nc1-c1ccccc1 795399 NSIRPPGWFZUOLI-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB CCN(CC)CCCCCCNc1cc(OC)c(OC)c2c(C)ccnc12 1568082 PUUDDXNBQOVAMX-UHFFFAOYSA-N 373.541 4.875 0 40 FJAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cccs1 3233292 HFHINBBSWKAVIM-UHFFFAOYSA-N 367.451 4.734 0 40 FJAB O=C(CSC1=NCCS1)Nc1ccccc1Sc1ccccc1 3241963 IWHDDJUXOMRELJ-UHFFFAOYSA-N 360.529 4.612 0 40 FJAB CC(C)C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162552 AJROLJZOYPLJNS-UHFFFAOYSA-N 356.809 4.933 0 40 FJAB CC(C)(C)c1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccncc2)cc1 4329925 FDQNKSOMAMGMQO-OAQYLSRUSA-N 374.488 4.818 0 40 FJAB Cc1ccc(Cl)c2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc12 4331122 LEYQJDNXFKPELX-UHFFFAOYSA-N 370.817 4.617 0 40 FJAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2ccccc2c1 4548526 HTOQAJSBFFDWAC-UHFFFAOYSA-N 351.349 4.659 0 40 FJAB Fc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1 5035242 ORCNVPYUFMDACI-UHFFFAOYSA-N 369.403 4.696 0 40 FJAB Cn1ccnc1SCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 6360476 FFWFLLHCDAIJKB-UHFFFAOYSA-N 361.470 4.554 0 40 FJAB CC(C)c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 6365218 LEUDJAUDJLVJLQ-UHFFFAOYSA-N 353.447 4.650 0 40 FJAB COc1cc(/C=C/C(=O)Oc2c(C)ccc(C)c2C)ccc1OC(F)F 6840155 UJTRXTWLZWZALJ-CSKARUKUSA-N 362.372 4.841 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)OCc1cc(-c2cccs2)on1 7549457 LEYJTEGRHBNYJK-UHFFFAOYSA-N 366.442 4.951 0 40 FJAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1cccc(Cl)c1Cl 7788387 KCNXOWIDCCPZSL-UHFFFAOYSA-N 367.251 4.736 0 40 FJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7789847 YOVQRXOLUVJIGJ-UHFFFAOYSA-N 374.469 4.736 0 40 FJAB O=C(Nc1ccccc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1 8071515 FDRMACCLVXEHFT-UHFFFAOYSA-N 371.415 4.990 0 40 FJAB CN(CCc1ccccn1)c1ncnc2scc(-c3ccc(F)cc3)c12 8148679 GMMSIZVAQFCXNK-UHFFFAOYSA-N 364.449 4.571 0 40 FJAB COc1ccc2c(-c3ccccc3)cc(S[C@@H]3C[C@H](C)OC3=O)nc2c1 8191324 GSQCJFOGAVTDSK-ORAYPTAESA-N 365.454 4.707 0 40 FJAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Oc2ccccc2)cc1 8230676 DMEHKJFLVBXVAC-UHFFFAOYSA-N 372.424 4.623 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 9346996 FUQOBHBBCRLRTA-AWEZNQCLSA-N 369.515 4.941 0 40 FJAB CCn1ncc2c(C(=O)Nc3c(C)cccc3C)cc(-c3ccccc3)nc21 11479587 YKVMNOITSBYYNY-UHFFFAOYSA-N 370.456 4.987 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)COc1cc(Cl)ccc1Cl 12748692 NXAHRXQOOCYJIC-AWEZNQCLSA-N 370.301 4.970 0 40 FJAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13770620 AAXBCBPWDLFNPD-IEBWSBKVSA-N 358.894 4.963 0 40 FJAB COc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 15440132 MGCPXUIGRCBXQW-UHFFFAOYSA-N 361.441 4.643 0 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38667186 VMFHSNKFYYANLE-UHFFFAOYSA-N 372.490 4.644 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)C1(c2ccc(Cl)cc2)CC1 40160234 KFGRJKGSNWXDFU-UHFFFAOYSA-N 355.850 4.529 0 40 FJAB CSc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44786557 XZVRZFRGAUHVRH-MRXNPFEDSA-N 374.937 4.913 0 40 FJAB O=C(c1csc(-c2ccco2)n1)N1CCSc2ccc(Cl)cc21 48365350 HEDYVESTWMUPLZ-UHFFFAOYSA-N 362.863 4.809 0 40 FJAB CCN(CCC(F)(F)F)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 58438105 URMLGJQUVQWSCB-UHFFFAOYSA-N 370.419 4.550 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 65695422 AWMNCCIPJGAQQG-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1C[C@@H]1c1ccccc1F 69929310 OPTNWIMIBMPYOU-HZPDHXFCSA-N 353.393 4.609 0 40 FJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(C(C)(C)C)cc3)C2)cc1 72408154 OFXAZUHISBLSSA-NRFANRHFSA-N 350.462 4.690 0 40 FJAB CCCn1c(S[C@@H](C)c2cccc(OC)c2)nnc1-c1ccncc1 75093660 SQCBMGBIBYSDOS-AWEZNQCLSA-N 354.479 4.612 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2ccsc2)CC1 75157147 MGBJCELPNIUEKH-UHFFFAOYSA-N 363.910 4.965 0 40 FJAB Cc1nc(-c2ccccc2)oc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C 79529188 VLONELHAQMTATR-HNNXBMFYSA-N 361.445 4.525 0 40 FJAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)C1 96122484 YJPKLGPLFPSZBM-HXUWFJFHSA-N 360.457 4.707 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 113970637 KFZMSYUCNDXCLS-SFTDATJTSA-N 355.478 4.737 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@H]3C)c(C)cc2N)cc1 216867332 DHQWCSVVTYPRSS-CALCHBBNSA-N 351.494 4.905 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1C 219309098 KSKZMORYGMDKNH-LJQANCHMSA-N 369.505 4.607 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223073740 LOHGBAIIMMHUTJ-JOCHJYFZSA-N 351.490 4.829 0 40 FJAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)cc(Cl)c4)cn1c23 223095190 SSYZUWATCZYJIO-SNVBAGLBSA-N 373.239 4.678 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C 224097311 YMBNBJFEULTXNX-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1OCC 225067750 OYJKNPFEDWDIQF-SFHVURJKSA-N 371.477 4.682 0 40 FJAB C[C@H]1CCC[C@H](C)N1c1c(Br)cc(N)cc1Br 226316507 QYIJMJWQTKKSOL-IUCAKERBSA-N 362.109 4.561 0 40 FJAB CO[C@H](CNC(=O)/C=C/c1ccccc1Cl)c1cc2ccccc2o1 253473668 XAFKXBJALRLRPC-GNISGLHKSA-N 355.821 4.603 0 40 FJAB CCOc1cc(Cl)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409013341 UPBGKRHAWPAOMJ-XBLUXWHVSA-N 369.870 4.582 0 40 FJAB C[C@H]1C[C@@H](CCNC(=O)N2Cc3ccccc3-c3ccccc3C2)CCO1 542304732 VTITTWFVSVSLQE-ROUUACIJSA-N 364.489 4.584 0 40 FJAB CCn1cc(NC(=O)N[C@H](CC2CCCCC2)c2ccccc2)ccc1=O 549254481 CMANSKVLZIWYMQ-HXUWFJFHSA-N 367.493 4.701 0 40 FJAB Clc1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(Cl)c1 613342393 BTYHKTGDYJXNTP-CQSZACIVSA-N 351.233 4.501 0 40 FJAB O=C1O[C@@]2(CCCN(C3CCCCC3)CC2)CN1c1ccc(Cl)cc1 2037838464 IBCQAJDBKNVDKS-HXUWFJFHSA-N 362.901 4.854 0 40 FJAB O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1 630667 HKXWWNRKPPBPCH-UHFFFAOYSA-N 367.246 4.691 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc(C)c1C 682688 HHNFCPNDOYTNAU-UHFFFAOYSA-N 367.470 4.876 0 40 FJAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)c1 806937 CNPFSVUDUDPOGK-UHFFFAOYSA-N 350.443 4.870 0 40 FJAB CC(C)CCSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3 1247174 CPZMPTUYOFBMMI-LBPRGKRZSA-N 351.541 4.509 0 40 FJAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)cc2)cc1 1911455 VARFJYUQKDAFQQ-NTCAYCPXSA-N 351.446 4.533 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1 2306844 VYCVLQNCRJHKOG-UHFFFAOYSA-N 365.502 4.873 0 40 FJAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1C(C)C)C(C)C 2656680 WSADKZDVCNQHRK-FQEVSTJZSA-N 352.478 4.512 0 40 FJAB Cc1ccc(-c2nc(N3CCCCCC3)s[n+]2Cc2ccccc2)cc1 2666205 MKPFPSXRBSUZPZ-UHFFFAOYSA-N 364.538 4.835 0 40 FJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)c(C)c3)C2)ccc1F 4105567 HFGJVXJGQGMAES-INIZCTEOSA-N 368.452 4.558 0 40 FJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1Cl 4163699 HFMPUJXQHAERSJ-UHFFFAOYSA-N 350.849 4.687 0 40 FJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1F 4224427 MLMLMZPCKZXIJU-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccccc1Cl 4270104 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O=C(CCCc1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 7777934 FWPRDGAMKJBSJU-QGZVFWFLSA-N 350.487 4.813 0 40 FJAB CSc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 7940643 ZSQIZWYRGLCIFW-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB CCOc1ccc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 8128450 CBMUXBXYNXVKRV-SNVBAGLBSA-N 372.475 4.926 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCc4sccc4[C@@H]3C)cc12 8734009 WQTZXDPEJFMQMB-ZDUSSCGKSA-N 373.547 4.883 0 40 FJAB COc1ccc(SCCC(=O)Nc2nc3ccc(C)cc3s2)cc1 10219543 KYMCXSVAMSPHGE-UHFFFAOYSA-N 358.488 4.734 0 40 FJAB O=C(c1ccno1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 10254161 YFLAXHGTTNJPRW-UHFFFAOYSA-N 369.833 4.785 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nc2ccccc2s1 11807308 LIVZJBBOAGQJJR-UHFFFAOYSA-N 367.405 4.662 0 40 FJAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 12042949 QDSLIUCJTRZEPL-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB Cc1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)on1 12119671 WZVPWOWJLWTMTJ-QGZVFWFLSA-N 369.396 4.535 0 40 FJAB Cc1noc(-c2cnc(NCc3cccs3)nc2-c2ccco2)c1C 12186805 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FJAB CC[C@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(OC)cc1 30860847 RZJOTGJFPOXPHA-FQEVSTJZSA-N 357.519 4.813 0 40 FJAB Cc1noc(C)c1CSCC(=O)N[C@H](c1ccccc1)C1CCCCC1 31799135 AWDPQDLZOSSHKH-OAQYLSRUSA-N 372.534 4.962 0 40 FJAB CCN(C(=O)c1ccc(Br)s1)c1nc2ccccc2s1 32722466 CYUGZKLFTTZHDW-UHFFFAOYSA-N 367.293 4.787 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)CCSc1nc2ccccc2s1 32768354 PIOPTXIYYQSANS-AWEZNQCLSA-N 356.516 4.964 0 40 FJAB CC(=O)Nc1cccc(-n2c(SCC3CCCCC3)nnc2C2CC2)c1 32801731 FKCUVVLGHALGKJ-UHFFFAOYSA-N 370.522 4.776 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C)cc(C)c2)cc1 32843843 ZYHDOHKJQGEWEW-UHFFFAOYSA-N 366.490 4.562 0 40 FJAB Cc1noc(C)c1CSCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 33215552 DZFMPCYMLMSOAJ-UHFFFAOYSA-N 373.478 4.602 0 40 FJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCC(C)C)cc1 39404182 MDVKYPFWEMOMCD-UHFFFAOYSA-N 370.474 4.551 0 40 FJAB Cc1nc(-c2cccc(NC(=O)N(C)Cc3cnc(C)s3)c2)cs1 48326190 NDWNHNQBQJSMTA-UHFFFAOYSA-N 358.492 4.547 0 40 FJAB C[C@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1 57668155 OEZUAWCNUBDECT-IFXJQAMLSA-N 354.450 4.593 0 40 FJAB CC(C)(C)c1cc(NC(=O)c2cc(F)cc(F)c2)n(Cc2ccccc2)n1 58638252 VIZKWGKWNXKTET-UHFFFAOYSA-N 369.415 4.759 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)o1 60481616 DLEZGNIGGXZKOC-UHFFFAOYSA-N 371.396 4.670 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(C)o3)ns2)c1 65564109 KTMAYMCNEQTTBA-UHFFFAOYSA-N 365.867 4.734 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@H](C(F)(F)F)C1 89793870 HFZSOHCVRZZFAM-LBPRGKRZSA-N 355.385 4.616 0 40 FJAB Cc1cccc(CN2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)c1 214611799 NHQIXJCEKQTTET-YBFXNURJSA-N 362.454 4.723 0 40 FJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224309453 XHDDCZZLUCHIMD-MRXNPFEDSA-N 363.457 4.956 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1 224736356 JMBOSTGYDXSQGT-HXUWFJFHSA-N 357.881 4.693 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1OCC 225063053 HSUMKJZJDGPWET-UHFFFAOYSA-N 370.493 4.578 0 40 FJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccs1 225136189 LKKRWRKBUBJEKF-UHFFFAOYSA-N 369.817 4.636 0 40 FJAB Cc1ccc(OCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225563229 INVSVLMQHVYTGH-UHFFFAOYSA-N 370.518 4.682 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC[C@H]1C 226330386 WLTYODXHAXIIHG-CQSZACIVSA-N 357.885 4.862 0 40 FJAB COc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408557583 OXGLDTSINMFSII-MRXNPFEDSA-N 354.258 4.781 0 40 FJAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2cccc3[nH]ccc23)n1 585260839 UYRGELBLLGOWRY-OAQYLSRUSA-N 373.460 4.567 0 40 FJAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)COc1ccc(F)c(Cl)c1 1539341297 RRBQKUSEDREXQM-UHFFFAOYSA-N 361.844 4.745 0 40 FJAB COc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 1311490 VJAYTUXQNHAVKX-FPYGCLRLSA-N 352.217 4.663 0 40 FJAB OCCNc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 3125848 JBDCIFQEROVDSL-UHFFFAOYSA-N 367.452 4.882 0 40 FJAB Cc1ccc(CNC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1 3338525 YZOKDTUGLLSGJS-UHFFFAOYSA-N 357.453 4.773 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)c1C 4088812 AGKKZNRWRKCOAW-UHFFFAOYSA-N 355.488 4.550 0 40 FJAB CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1c(C)cccc1C 4837155 QGDDFDRRWFHPJT-LJQANCHMSA-N 355.873 4.670 0 40 FJAB COCCN(Cc1cc2cccc(C)c2nc1Cl)C(=O)c1cccs1 4880304 IUAKZFAQGFLJFD-UHFFFAOYSA-N 374.893 4.547 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC(F)F 6329664 YAJLVJSUTARETG-UHFFFAOYSA-N 355.768 4.738 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 7600906 LPWZGBOJBJBCHO-HSZRJFAPSA-N 372.468 4.828 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc(Br)c1 8104576 LGVKQMROHXWCOE-ZDUSSCGKSA-N 363.324 4.757 0 40 FJAB C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc2ccccc12 8216588 NBHKCZHUQKJFCJ-QGZVFWFLSA-N 359.473 4.879 0 40 FJAB FC(F)(F)c1nc(N2CC=C(c3ccccc3)CC2)c2ccccc2n1 8325977 YGNPOBOFKFKYMA-UHFFFAOYSA-N 355.363 4.942 0 40 FJAB CC(C)CCn1c2nccc(-c3ccccc3)c2c(=O)n1-c1ccccc1 8560235 FLQHCBHQUHHNMY-UHFFFAOYSA-N 357.457 4.900 0 40 FJAB Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)c1O 8973113 SSCVCYSCKWAFAS-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)oc2ccccc12 9420772 VQSQLENVAPJGOL-UHFFFAOYSA-N 359.429 4.637 0 40 FJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 10542689 WKQCCYBVSUTORR-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB CCc1ccccc1NC(=O)CN(C)C(=O)Nc1cccc2ccccc12 11003833 MNAWEEKWJDFFAJ-UHFFFAOYSA-N 361.445 4.505 0 40 FJAB Cc1cccnc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12324505 OZDNWVGJPDTALG-UHFFFAOYSA-N 370.408 4.724 0 40 FJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2[nH]cnc2c1 12559015 QAPXNTBTSGVDGL-UHFFFAOYSA-N 365.820 4.749 0 40 FJAB O=C(NCCc1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 12699099 VYEPSQABBKTCIM-UHFFFAOYSA-N 351.412 4.581 0 40 FJAB Cc1nc(CSc2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cs1 12779881 LYBXDWNSFBWNOL-ZIAGYGMSSA-N 360.548 4.862 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12823243 RZRPJSMXXNWFPL-UHFFFAOYSA-N 354.494 4.826 0 40 FJAB COc1ccc(C)cc1NC(=O)Cc1sc(C)nc1-c1cccs1 13012164 XZOZWTDUCHGVSX-UHFFFAOYSA-N 358.488 4.678 0 40 FJAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 14093510 FUHGSSGDUVYVEP-UHFFFAOYSA-N 372.371 4.508 0 40 FJAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 16087287 CKKCBLJEZRQXQL-BZYZDCJZSA-N 356.274 4.645 0 40 FJAB COc1cc(CN2[C@H]3CC[C@@H]2c2cccnc2C3)ccc1OC1CCCC1 19550118 NLDGMHHMQXCFPE-LAUBAEHRSA-N 364.489 4.673 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 19932735 AKRJSJZDYVNHLV-UHFFFAOYSA-N 372.468 4.900 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nccc(C(F)(F)F)n1 26479678 VINMFHPYNUGJMT-JTQLQIEISA-N 365.380 4.649 0 40 FJAB O=C(Nc1cccc(Br)c1)c1ccc(COc2ccccc2)o1 28092135 DACZTQWTDYMSGV-UHFFFAOYSA-N 372.218 4.873 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)c1C 31384018 RGSJOMKHLDLVQT-KRWDZBQOSA-N 374.484 4.785 0 40 FJAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(Cl)cc3)c2s1 32616312 SWUOZHDASYLENC-UHFFFAOYSA-N 373.890 4.592 0 40 FJAB CCOc1ccccc1CNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 38756638 ZGZIOXCWCAYKIQ-SFHVURJKSA-N 363.910 4.926 0 40 FJAB CCC[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 40086808 TZBLUDGGPMQLML-NRFANRHFSA-N 373.456 4.605 0 40 FJAB O=C(NCCC1=CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 44840108 GXIBUZFVCKLUGU-UHFFFAOYSA-N 360.501 4.870 0 40 FJAB CCN(CC)C(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 47081052 JMVNEIBSOKNWAQ-UHFFFAOYSA-N 370.518 4.598 0 40 FJAB Cc1ccc2c(Nc3ccccc3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005189 WAEMGPWHOJAAHZ-INIZCTEOSA-N 360.461 4.696 0 40 FJAB O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccccc2Cl)[nH]n1 57412321 VUVCUALSUYPYTF-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB Cc1[nH]ncc1CCCNC(=O)Nc1ccccc1SC1CCCC1 58268893 SMNJIYYVOYBZCM-UHFFFAOYSA-N 358.511 4.507 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 58405497 CBACTMOEJFWDGK-LEWJYISDSA-N 352.453 4.948 0 40 FJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(OC)cc1 71844329 ZVGMHJSNELGZBH-FCHUYYIVSA-N 351.490 4.813 0 40 FJAB CC(C)C[C@H](NC(=O)NCCc1csc(C(C)C)n1)c1ccccc1 72083159 LIKDUAQEWYPKLH-SFHVURJKSA-N 359.539 4.896 0 40 FJAB O=C(c1cccnc1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 72338403 KQCSGTGSLPHEOB-INIZCTEOSA-N 353.447 4.556 0 40 FJAB Cc1cccc([C@H]2CCCCN2C(=O)N[C@H](C)Cc2c(C)noc2C)c1C 74363210 ZKEHFKQKXBJOJI-QVKFZJNVSA-N 369.509 4.776 0 40 FJAB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)Nc1cccc(F)c1 96062733 UAJZYRDDCSNAQW-UHFFFAOYSA-N 372.403 4.541 0 40 FJAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)[C@H]1CC1(Cl)Cl 97362220 KFCKLHDXPNCGQH-DGCLKSJQSA-N 360.693 4.801 0 40 FJAB O=C(Nc1ccc(F)cc1F)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100487322 JFPHNTGGZJNCGH-AFDCSIBUSA-N 370.237 4.637 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C/C=C\c1ccccc1 101349750 FTIQDBSDVFHNNN-UOMAQRANSA-N 359.473 4.823 0 40 FJAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Cl 140213964 VCARYLSWMHPPRA-HNNXBMFYSA-N 357.881 4.783 0 40 FJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1cccc(C)c1 224107222 NJZJCIMRIDUURR-UHFFFAOYSA-N 361.441 4.513 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2ccc(C)cc2C)cc1 225802196 DDIKXCWVAVOBDW-UHFFFAOYSA-N 360.548 4.781 0 40 FJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225894637 ZWFZWZUOEYVIOE-OAQYLSRUSA-N 358.482 4.802 0 40 FJAB C[C@H](CCc1ccco1)NC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@@H]21 248195152 ORYWHTWXSGORLG-AVODLEKQSA-N 371.521 4.505 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 257173439 NIITWBWPXPSFRM-SQNIBIBYSA-N 358.526 4.669 0 40 FJAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2ccoc2)CC1 306129620 IIIYYUYTDWLIRP-UHFFFAOYSA-N 363.461 4.608 0 40 FJAB Cc1cc(CN[C@@H](C)c2ccncc2F)cc(C)c1OCc1ccccn1 585079968 YPZDIMCRKRZQGC-KRWDZBQOSA-N 365.452 4.662 0 40 FJAB Fc1ccc([C@@H]2CCc3nnc(-c4cccnc4)n3-c3cc(F)ccc32)cc1 702124 LIOUWBIBAYQJIE-SFHVURJKSA-N 374.394 4.686 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 1016817 WWRVRVMDPVNNKW-NRFANRHFSA-N 362.379 4.956 0 40 FJAB Cn1c(SCc2cccc(Br)c2)nnc1-c1cccs1 2265895 LIIRXJWHYRVNPP-UHFFFAOYSA-N 366.309 4.598 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 2618098 TYWQOJFBDRFTFA-UHFFFAOYSA-N 372.471 4.536 0 40 FJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(Cl)cc1 3229432 VVQRGQWIPJYGCG-UHFFFAOYSA-N 364.828 4.971 0 40 FJAB Cc1nc(Nc2cccc(Br)c2)c2c3c(sc2n1)CCC3 3339337 QZSUYHGDDTYYGO-UHFFFAOYSA-N 360.280 4.995 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(F)cc1 4680613 AFEMFQMQHJMXAZ-UHFFFAOYSA-N 352.843 4.820 0 40 FJAB CCCC[C@@H](CC)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 4696156 VEGKUQYEWRBROC-CYBMUJFWSA-N 351.903 4.937 0 40 FJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2snnc2c1 4739870 GLSLEYWONHCAEK-UHFFFAOYSA-N 361.426 4.523 0 40 FJAB CCOc1cccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)c1 6355713 FTBFEVKPYBLVKY-UHFFFAOYSA-N 362.838 4.609 0 40 FJAB COc1ccc(C)cc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 6965470 UIOUKMIREFNBNJ-UHFFFAOYSA-N 356.369 4.711 0 40 FJAB COc1cc(CNC2CCCCCCC2)cc(Br)c1OC 7523469 VUSGVQIDCWXDSP-UHFFFAOYSA-N 356.304 4.669 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1 7688972 SVSRULZVXDZELQ-UHFFFAOYSA-N 363.529 4.509 0 40 FJAB COc1ccc(C(=O)CN(C2=NCCCC2)c2cc(C)ccc2C)cc1 8410748 SWACHULFUXNVBJ-UHFFFAOYSA-N 350.462 4.584 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1 9063072 JHYZJTCBYHMXTI-UHFFFAOYSA-N 366.505 4.633 0 40 FJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 9660034 FHNNEFYNEXWIDY-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic Cc1nn(-c2cccc(C(=O)Nc3c[nH]c4ccccc34)c2)c(C)c1Cl 12192816 AWWDGIWSSXCANG-UHFFFAOYSA-N 364.836 4.876 0 40 FJAB NC(=O)[C@H](Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 12538912 RILCECOVEOITJU-LJQANCHMSA-N 352.821 4.771 0 40 FJAB Cc1ccnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1 14952174 MYUOYPFGZRVGQO-UHFFFAOYSA-N 358.854 4.804 0 40 FJAB Fc1ccccc1C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2 15953015 WMNKRROCQZPUEU-UHFFFAOYSA-N 363.378 4.861 0 40 FJAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 16694690 PVDIFMABMWKVGE-QWRGUYRKSA-N 362.260 4.642 0 40 FJAB CCCc1cc2c(=O)c(-c3nc(C)cs3)c(C(F)(F)F)oc2cc1O 19118538 KQECDPYAGWFESC-UHFFFAOYSA-N 369.364 4.902 0 40 FJAB O=C1CCc2cc(-c3cccc(-c4ccn(Cc5ccncc5)n4)c3)ccc21 19885171 RLXFZEISGGLNSV-UHFFFAOYSA-N 365.436 4.789 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 20453886 UYPOYVRGIQVDEA-QGZVFWFLSA-N 363.457 4.711 0 40 FJAB Cc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(F)cc5)c4ncn3n2)cc1 21801696 CGRQOYHSXJNJBT-UHFFFAOYSA-N 371.419 4.800 0 40 FJAB O=C([C@@H]1Cc2ccccc2S1)N1CCC(c2c[nH]c3ccccc23)CC1 22283435 DGZIGXVGWKBLLL-NRFANRHFSA-N 362.498 4.591 0 40 FJAB CC1(C)CCCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 30872488 RTEWXGZRLZFEQT-UHFFFAOYSA-N 362.517 4.902 0 40 FJAB Cc1ccccc1NC(=O)Cn1c(-c2ccccc2C)nc2ccccc21 40306579 JPQKQXQUMNXNQG-UHFFFAOYSA-N 355.441 4.959 0 40 FJAB O=C(OCc1nnc(-c2ccccc2Cl)o1)c1cc2ccccc2s1 60896626 VFRFZMUSMRZBNM-UHFFFAOYSA-N 370.817 4.962 0 40 FJAB CC(C)n1nccc1NC(=O)N1CC=C(c2cccc3ccccc23)CC1 63784361 WWWYHTNSYVKFIE-UHFFFAOYSA-N 360.461 4.938 0 40 FJAB CCc1cc2oc(=O)cc(CSc3nccn3C3CC3)c2cc1Cl 83820491 XQDBSEZUBGRKMM-UHFFFAOYSA-N 360.866 4.833 0 40 FJAB Cc1ccc(C(=O)c2ccccc2OC(F)(F)F)cc1Br 95917430 NOTIZPTYTKKKOS-UHFFFAOYSA-N 359.141 4.887 0 40 FJAB O=C(Nc1ccccc1Br)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102184461 NGTQKOFKGJYSFT-VDQHWBOFSA-N 368.702 4.965 0 40 FJAB Cc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 102610083 BIHVFDNNTZQFIO-IERDGZPVSA-N 356.429 4.652 0 40 FJAB C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102846316 HXFYSWZNANTAMI-HRLGVUPISA-N 357.425 4.552 0 40 FJAB CN(CCCNC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 219133746 IRJRKLHVVVIFTM-UHFFFAOYSA-N 372.512 4.851 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc(Cl)c1 219292344 OFXJUZAAUJUGRB-KSSFIOAISA-N 373.880 4.834 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc2c1 223245742 KHPJSPZZSSUGIW-UHFFFAOYSA-N 355.459 4.773 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 223976832 CHHSYMHAFLICML-SOFGYWHQSA-N 364.272 4.819 0 40 FJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224173996 PSDYDYYMFMGNRR-VQTJNVASSA-N 362.502 4.641 0 40 FJAB COc1cc(C)c(C(=O)Nc2ccc(N3CCCC3)cc2)cc1C(C)C 224939187 LLTSTCPTWDPEEF-UHFFFAOYSA-N 352.478 4.980 0 40 FJAB COC(=O)c1cc2cc(NC(=S)N[C@H](C)c3ccccc3)ccc2s1 225212731 RRAMNFGYRDFBTH-GFCCVEGCSA-N 370.499 4.736 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225262918 CNZWUXHAHHNNLN-UHFFFAOYSA-N 369.424 4.993 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 225494435 NSMKHXOVYLGMGB-IBGZPJMESA-N 370.518 4.937 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225790496 VFHNHIHNNQJXHS-LJQANCHMSA-N 373.518 4.513 0 40 FJAB Nc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCCC1 226267163 RMHBJVVLWXJVGT-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB O=C(NCc1ccnc(-c2cccs2)c1)C12CC3CC(CC(C3)C1)C2 245108433 SWZYHIMFAMCQAS-UHFFFAOYSA-N 352.503 4.643 0 40 FJAB COc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257216629 CVLJTNNKNNTJJS-UHFFFAOYSA-N 368.408 4.719 0 40 FJAB CC(=O)O[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348529 GQXZPRCPDHVBKD-WCIRZLAJSA-N 362.554 4.958 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)ccc3OC)N21 260758995 DSCIPMSKNXJGGA-XWIAVFTESA-N 373.909 4.723 0 40 FJAB CC(C)(C)c1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408709384 RWWPSDTVYNKFAN-UHFFFAOYSA-N 358.526 4.644 0 40 FJAB Fc1ccc(-c2cnc(Nc3ccc(C[C@H]4CCCNC4)cn3)s2)cc1 585262743 BMWIDJDYSOJRGY-CQSZACIVSA-N 368.481 4.630 0 40 FJAB O=C(Nc1cnc2c(F)cccc2c1)[C@H](Cc1cccnc1)C1CCCC1 1130907532 VFDLKXMQIMFZFJ-LJQANCHMSA-N 363.436 4.757 0 40 FJAB CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 644171 HILORXPHHVVFOG-CQSZACIVSA-N 360.841 4.590 0 40 FJAB O=C1N[C@H](c2cc3ccccc3nc2Cl)Nc2sc3c(c21)CCCC3 974590 DMBVJMKSRXIUMX-KRWDZBQOSA-N 369.877 4.683 0 40 FJAB COc1cccc(C(=O)NCc2sc(-c3ccc(Cl)cc3)nc2C)c1 1386287 XLZAPAYVSOXXBC-UHFFFAOYSA-N 372.877 4.711 0 40 FJAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1Cl 2410041 LHJUHCRREPEUJX-UHFFFAOYSA-N 367.832 4.600 0 40 FJAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 3242205 MQZVEQHEMSSNPF-UHFFFAOYSA-N 372.833 4.502 0 40 FJAB COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCCCC2 4194743 YZIDBQCPYOHTAY-UHFFFAOYSA-N 369.895 4.771 0 40 FJAB CSc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4555310 FZDQLWKDVWVBJU-QGZVFWFLSA-N 373.547 4.665 0 40 FJAB CCCC[C@@H](CC)CNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 4627754 DEHDWICOBVHKMS-MRXNPFEDSA-N 365.514 4.829 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2ccccc2c1 6307265 GCRGSFNXRYFWGM-UHFFFAOYSA-N 355.821 4.828 0 40 FJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1C[C@@H]1C 7002990 LPQWQAJYZJOQBS-CMPLNLGQSA-N 363.866 4.840 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)c2cccnc2Cl)cc1 8051370 UODLZCVMSPBQOK-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCc2cscn2)cc1 8122673 DRYORDJNEGGBAT-UHFFFAOYSA-N 362.813 4.767 0 40 FJAB Clc1cc2c(c(COc3ccc(Cl)c4cccnc34)c1)OCOC2 8195892 VSKSARWOFBAJKD-UHFFFAOYSA-N 362.212 4.987 0 40 FJAB Cc1ccccc1OCCOc1ccc(C(=S)N2CCCCC2)cc1 8571567 VIHXSWXNZHGPAD-UHFFFAOYSA-N 355.503 4.614 0 40 FJAB O=c1[nH]c(-c2cc(Cc3ccccc3Cl)ccc2O)nc2ccccc12 8767956 HBBSKNLFMCIGFS-UHFFFAOYSA-N 362.816 4.540 0 40 FJAB Cc1nn2c(=O)c(Cc3cccc(Cl)c3)c(C)[nH]c2c1-c1ccccc1 9225384 KPCQJWRLOFZLBD-UHFFFAOYSA-N 363.848 4.551 0 40 FJAB CCCCN(CC)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 12732287 IEJQXDRTYKADOA-UHFFFAOYSA-N 355.413 4.600 0 40 FJAB CC(=O)Nc1cccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 12905031 GFTILOLXKUZSGC-UHFFFAOYSA-N 372.468 4.530 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12975664 KHUCBQGYJRFTMA-VIFPVBQESA-N 364.442 4.949 0 40 FJAB CC[C@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccccc1 13015745 IYSBCQQMZVRADF-FQEVSTJZSA-N 359.425 4.513 0 40 FJAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 13668923 YRNCGAMDLCJKDM-SFHVURJKSA-N 353.506 4.809 0 40 FJAB CCCOc1ccc(NC(=O)COc2ccccc2Cl)c2cccnc12 15840939 BWJZXJIVXRABMN-UHFFFAOYSA-N 370.836 4.695 0 40 FJAB CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 16740469 QDJBRVPHYWYHLE-UHFFFAOYSA-N 353.425 4.964 0 40 FJAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(CC2CCCCC2)C1 19081795 RFSHXPJKQABFBM-PZJWPPBQSA-N 371.569 4.577 0 40 FJAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2ccccc2)cc1 20138846 MWWJSXMRMNWYBI-UHFFFAOYSA-N 351.789 4.958 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1 20491851 KPJKFHHUYWUMGA-SFHVURJKSA-N 368.974 4.593 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)cc2)c1 20730980 VRUVFRRNJHYMNU-UHFFFAOYSA-N 373.412 4.929 0 40 FJAB COc1cc2c(cc1NC(=O)c1cc(Cl)cn1C)oc1ccccc12 27152572 XLTDYBVIAZMUHR-UHFFFAOYSA-N 354.793 4.839 0 40 FJAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 30889230 GFJRUMCKJSHHCP-KRWDZBQOSA-N 373.452 4.892 0 40 FJAB CCc1ccc(-c2csc(NC(=O)COc3cccc(C)c3)n2)cc1 32987999 ADEWVLPCEOSGLF-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 35075096 ZHNJYJRWQXTHLL-GUXCAODWSA-N 374.956 4.703 0 40 FJAB O=C(CSc1ccccc1F)Nc1cccnc1Oc1ccccc1 40087996 ORAWWNPTRNWVCU-UHFFFAOYSA-N 354.406 4.744 0 40 FJAB CC[C@@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)c1cnn(CC)c1 75104798 PHUVTJSYIJCGKE-HXUWFJFHSA-N 364.449 4.968 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 80343668 JKNOFKINFFLZRQ-UHFFFAOYSA-N 369.808 4.514 0 40 FJAB Cc1ccccc1[C@@H]1CC2=Nc3ncnn3[C@@H](c3ccc(F)cc3)C2=C(O)C1 102659065 RUPTYHZRLJPSTH-VFNWGFHPSA-N 374.419 4.791 0 40 FJAB C[C@H](NC(=O)/C=C/c1ccc(SC(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107450073 YTDPRMKIDRNKTG-JKDYONSDSA-N 351.462 4.955 0 40 FJAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 222998840 RPIBEFAPSLPDFO-FQEVSTJZSA-N 353.462 4.760 0 40 FJAB COc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1Cl 225853750 NDJJJDREVYGCDT-UHFFFAOYSA-N 350.871 4.698 0 40 FJAB O=C(CCCCCNC(=O)c1ccccc1)Oc1ccc2ccccc2c1 408731411 MFFYJTZGMWTFQN-UHFFFAOYSA-N 361.441 4.736 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cccc(C)c3)cc2)cc1 409120361 UBUSBXZKXROVBQ-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB O=C(N[C@H]1C[C@@H]1C(F)F)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 553704713 MIEYBJDDEWEANE-AAEUAGOBSA-N 372.202 4.515 0 40 FJAB C[C@@H](Cc1cccc(Br)c1)NCc1cccc2cccnc12 620123711 LSJAGCOHXZEECC-AWEZNQCLSA-N 355.279 4.718 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)C2CCCCC2)N1c1ccc(F)cc1 1615158478 MXGAMMNWYDLDQN-PMACEKPBSA-N 358.501 4.754 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(F)cc(Cl)c1 1666321787 ACIUHVPKFFZJEJ-NSHDSACASA-N 367.829 4.607 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)Nc1ccccc1Cl 1775976572 BKXWAONALCIVTO-QGZVFWFLSA-N 372.877 4.924 0 40 FJAB O[C@H](CNc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21 626477 XIOZTHVANPTYAM-QGZVFWFLSA-N 350.849 4.921 0 40 FJAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 651294 HVOXETKHJYCSQT-UHFFFAOYSA-N 370.257 4.583 0 40 FJAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3Cl)nc1-2 792487 YOPPPFRRXZIIEO-UHFFFAOYSA-N 370.861 4.823 0 40 FJAB Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1 803873 FXGRIHXUIMOIJL-UHFFFAOYSA-N 360.442 4.501 0 40 FJAB CCN(CC)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 1057728 MFYXNFQMCSCXJC-UHFFFAOYSA-N 365.246 4.687 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)c1cccc2c1-c1ccccc1C2=O 1444251 ICICXAGAEPJDND-UHFFFAOYSA-N 361.828 4.524 0 40 FJAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cc(Cl)cc(Cl)c1O 1735623 WWFGDXMRTHHGOV-YSLZEPIFSA-N 360.196 4.709 0 40 FJAB COc1ccc2c(-c3cc4cc(Br)ccc4o3)cc(=O)oc2c1 2132996 XLAJGSHFHDIWEO-UHFFFAOYSA-N 371.186 4.977 0 40 FJAB biogenic CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(Cl)c1 2720906 BXZCLZILEPIJIZ-UHFFFAOYSA-N 355.850 4.632 0 40 FJAB C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1 3044757 NBKRBPZLWZCZFD-INIZCTEOSA-N 353.425 4.788 0 40 FJAB Cc1ccc(C)c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c1 3317178 GQZPOJFWHCFXAE-UHFFFAOYSA-N 373.861 4.967 0 40 FJAB CCCn1c([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 4033406 MTPMRGQCRWTUIC-SFHVURJKSA-N 361.489 4.892 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1-c1ccccc1 4070265 GUVWYECDCZZGND-UHFFFAOYSA-N 362.863 4.980 0 40 FJAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccc(Cl)cc1 4901530 GDFYAZGMVDDOAH-OAHLLOKOSA-N 365.882 4.604 0 40 FJAB C[C@@H]1CCN(C(=O)CSc2nc3ccccc3o2)c2ccccc2S1 5033685 SJYNJMFTNIFNIG-CYBMUJFWSA-N 370.499 4.837 0 40 FJAB COc1ccc2c(CC(=O)Nc3cc(C(C)(C)C)ccc3OC)coc2c1 5509517 XMXDJPKEURCKLY-UHFFFAOYSA-N 367.445 4.929 0 40 FJAB C[C@H]1CCN(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc2S1 5628267 RRMSQPHRPGJQOZ-ZDUSSCGKSA-N 369.515 4.573 0 40 FJAB CC(C)/N=C1\S/C(=C/c2cccn2-c2ccccc2)C(=O)N1C(C)C 6325063 SKULDFZQPXNPEQ-BIXZQSIESA-N 353.491 4.566 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7928832 ZPQUIIAXVUOBDQ-HKUYNNGSSA-N 365.473 4.634 0 40 FJAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1 9355794 JJXJBRCSJXKMRE-LJQANCHMSA-N 364.489 4.881 0 40 FJAB Cc1ccc(-n2ncc3c(N[C@H](C)c4ccccc4)ncnc32)cc1Cl 10386286 STASWFFNNXUULG-CQSZACIVSA-N 363.852 4.950 0 40 FJAB Fc1cc2c(c(CSc3ncccn3)c1)O[C@@H](c1ccccc1)OC2 10861435 ODVLCTZMMZAASW-SFHVURJKSA-N 354.406 4.516 0 40 FJAB O=C(CNc1cc(Cl)ccc1F)N[C@H](c1ccccc1)c1cccs1 10945709 KLUHAXWQJLPORR-LJQANCHMSA-N 374.868 4.858 0 40 FJAB Cc1ccc(-c2nnc(SCc3cccc(Br)c3)n2C)cc1 11152935 SDRNECNHFBRNHD-UHFFFAOYSA-N 374.307 4.845 0 40 FJAB COc1cc(OC)c(NC(=O)c2oc3ccc(F)cc3c2C)cc1Cl 11601815 QCAODXQLVYXQPN-UHFFFAOYSA-N 363.772 4.803 0 40 FJAB O=C(Nc1cccc2ccccc12)c1cc(O)c(OCc2ccccc2)cn1 12168427 CXRCEPVJSFOUNM-UHFFFAOYSA-N 370.408 4.772 0 40 FJAB C[C@H](NC(=O)NC1CCCCCCC1)c1ccc(NC(=O)C2CC2)cc1 12986459 QEEREMUQPCOLLM-HNNXBMFYSA-N 357.498 4.508 0 40 FJAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 13000624 IBMYIXDNEZSZNV-DEOSSOPVSA-N 370.496 4.687 0 40 FJAB COCc1ccc(CN(Cc2ccccn2)Cc2ccccc2Cl)o1 13990841 JNNITXZVGMWGHJ-UHFFFAOYSA-N 356.853 4.677 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2csc(C)n2)s1 14200999 VSWLYGBDVWUVRK-QGZVFWFLSA-N 372.515 4.654 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccccc3O)cc2)o1 14337723 QWTZCXFHFFSALK-UHFFFAOYSA-N 371.396 4.670 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 17074039 SQYLUERXOIVGIX-UHFFFAOYSA-N 358.816 4.888 0 40 FJAB Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)coc2c1C 18047676 UHOXGUGUPFYIII-QGZVFWFLSA-N 373.456 4.655 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2ccccn2)n1 19691489 LERYFCDKLPRCAV-NRFANRHFSA-N 361.420 4.568 0 40 FJAB COc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3c(C)noc3C2)cc1 19872787 UKZRJSIQIVGQMW-INIZCTEOSA-N 350.393 4.982 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20139202 GQOOJDRQJBCCJV-UHFFFAOYSA-N 373.408 4.853 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 20238536 ODTJCWOKFMYYQW-CQSZACIVSA-N 365.951 4.870 0 40 FJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20452190 CTHNJLYHNJSKON-SFHVURJKSA-N 371.546 4.935 0 40 FJAB COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccc(C)c3)on2)cc1 21790948 MGSFATGCQOJEFR-FQEVSTJZSA-N 362.429 4.636 0 40 FJAB O=C(NOCc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 25285062 IKCWHDLAQPZUTK-UHFFFAOYSA-N 370.408 4.870 0 40 FJAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccnn3Cc3cccs3)oc2c1 28404886 GEBHDLPDEKEGRT-UHFFFAOYSA-N 365.458 4.917 0 40 FJAB C[C@@H]1CN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccccc2O1 41155598 CPTROCCIZRPUGO-OAHLLOKOSA-N 374.440 4.648 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 59461555 VYZHZLOVSQHFTE-HZPDHXFCSA-N 367.518 4.899 0 40 FJAB CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215502 BRJSBHIDSZRVOO-SFHVURJKSA-N 359.514 4.921 0 40 FJAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccccc2[nH]1 72243358 KJWYXZDBCNYWPA-UHFFFAOYSA-N 367.861 4.875 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1C 224179638 BJFMYPZJSNNZFR-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(SC)c3)o2)c1 224847659 BAIDANWRBCJKAF-UHFFFAOYSA-N 368.458 4.643 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224977809 ZGFKXMGJHQKLIZ-HSZRJFAPSA-N 364.533 4.667 0 40 FJAB CSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 225163570 GNBXLGAFKBDUKO-UHFFFAOYSA-N 373.528 4.805 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)c1cc(Br)ccc1Cl 227146880 KGVUEUWUBORDKM-UHFFFAOYSA-N 374.065 4.899 0 40 FJAB CC(C)CC(=O)N[C@]1(C)C[C@H](c2cccc(O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257243760 IILKMYPBXYHJJN-YCSCGVHMSA-N 359.510 4.579 0 40 FJAB O=C(NCc1ccc(Cl)cc1)NC[C@H](c1ccsc1)c1ccco1 618255824 AIDQVOUUWLXAFA-MRXNPFEDSA-N 360.866 4.626 0 40 FJAB COc1ccc2c(c1)[C@H](Nc1ccc3c(cnn3C(C)C)c1)CCCO2 679148665 VPINCFRHRFONBQ-LJQANCHMSA-N 351.450 4.952 0 40 FJAB O=C(NCc1cccc(C(F)F)c1)NCC1(C(F)(F)F)CCCC1 1334907366 QLJYJAUYADSXAR-UHFFFAOYSA-N 350.331 4.546 0 40 FJAB COC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2 671987 SGLVNTQAJFCLDZ-UHFFFAOYSA-N 364.854 4.711 0 40 FJAB Cc1nc(SCC(=O)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 783251 MNQDITMOUCJZOW-UHFFFAOYSA-N 372.490 4.993 0 40 FJAB Cc1ccc(NC(=O)c2cc(C)nc3ccccc23)c(Br)c1 858874 MLIJMLUMKXIPJC-UHFFFAOYSA-N 355.235 4.866 0 40 FJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(OC)c1 949024 VUPPZILXOIKEMY-UHFFFAOYSA-N 366.417 4.562 0 40 FJAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)c4ccccc4)[C@H]3C=C12 2119306 FYEXWWJAZZNSHA-FEJROSIGSA-N 351.490 4.572 0 40 FJAB biogenic Cc1cc(OCc2nc(-c3ccccc3)no2)cc(C)c1Br 2493235 GKLBTJWKPSMHRN-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB COc1ccc(OC(F)(F)C(=O)Nc2c(Cl)cccc2Cl)cc1 3116789 OIYVPUVNTVBPCG-UHFFFAOYSA-N 362.159 4.612 0 40 FJAB CC(C)(C)c1cc(NC(=O)/C=C/c2ccc(F)cc2)n(-c2ccccc2)n1 3356541 DMGLLWHKOHNCIQ-SDNWHVSQSA-N 363.436 4.961 0 40 FJAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 3475031 AMOUKSMZMLYYHJ-UHFFFAOYSA-N 359.476 4.652 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1 3648658 DUIGUBPYGJHEHT-UHFFFAOYSA-N 374.465 4.881 0 40 FJAB CCCCC(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4162525 QGMOCNKCDRJYGH-UHFFFAOYSA-N 354.381 4.953 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 4303365 CSESBQIVWHRVJN-UHFFFAOYSA-N 355.488 4.634 0 40 FJAB CC1(C)N=C(SCC(=O)Nc2ccccc2)C(c2ccc(Cl)cc2)=N1 4890882 NDDABUUHTWQCPY-UHFFFAOYSA-N 371.893 4.649 0 40 FJAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CC(C)(C)C 5136897 BBRHYDBUGUORAN-UHFFFAOYSA-N 350.915 4.867 0 40 FJAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)o1 5421415 KDVCDVAHLSGETJ-UHFFFAOYSA-N 360.413 4.977 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 6219490 KVUKUWDTGBKNDN-GFCCVEGCSA-N 374.412 4.803 0 40 FJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccccc1F 6602816 VALJWFLKXSNJPF-QGZVFWFLSA-N 362.448 4.952 0 40 FJAB Cc1nc(-c2cccc(NC(=O)COc3ccc4c(c3)CCC4)c2)cs1 6608061 KLSDFJZRXJBGKJ-UHFFFAOYSA-N 364.470 4.625 0 40 FJAB CCC(=O)Nc1ccc(-c2csc(NCc3ccccc3OC)n2)cc1 6671192 GEBZWOYFQVQCDC-UHFFFAOYSA-N 367.474 4.779 0 40 FJAB CCn1c2ccccc2c2cc(CNCc3ccc(C(=O)O)cc3)ccc21 6871192 LIFNLDBEIHLZFJ-UHFFFAOYSA-N 358.441 4.802 0 40 FJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccc(C)cc1 6922845 MRYHAXJYGJIWLN-NHTMILBNSA-N 365.517 4.872 0 40 FJAB biogenic O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(F)cc1 8000672 WNILHNPXIASNIZ-IBGZPJMESA-N 372.490 4.535 0 40 FJAB CN(C(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NC1CCCCC1 8375218 DUSIDTTWESBRNJ-UHFFFAOYSA-N 370.880 4.679 0 40 FJAB CCCCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(C)C 11565910 PWDVZPBKJSAUIO-UHFFFAOYSA-N 362.495 4.575 0 40 FJAB C[C@H]1CCC[C@@H](C)N1NC(=S)Nc1ccc(Oc2ccccc2)cc1 12565091 LNUSMJKJLBUMLO-IYBDPMFKSA-N 355.507 4.943 0 40 FJAB O=C(COc1ccc2ccccc2c1)N[C@H](c1ccccc1)c1ccccn1 12593331 QBLCDGAPWIRKAV-XMMPIXPASA-N 368.436 4.519 0 40 FJAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1OC 12801330 GFFBHZPXAOVVGI-ZDUSSCGKSA-N 364.445 4.562 0 40 FJAB Cc1cc(C)cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 12868935 IQLFTNFTRVTEAJ-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)cc1Cl 12934893 DIZQOUDTWJZIFW-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB CCCCOc1ccc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 13561322 LTVZKLVNSMHROW-UHFFFAOYSA-N 350.462 4.936 0 40 FJAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cnccn1 14095331 RBUSRHLTDIXMEQ-UHFFFAOYSA-N 370.484 4.642 0 40 FJAB Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3)n2C)c1C 14126098 QWESVOONILEKMY-UHFFFAOYSA-N 373.909 4.957 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 15357630 RKQZOMYPTUDWEC-LBPRGKRZSA-N 366.230 4.611 0 40 FJAB Cc1ccc(-n2ncc3c(N(Cc4ccccc4)C(C)C)ncnc32)cc1C 17120340 DXNXVLUXBHKZSK-UHFFFAOYSA-N 371.488 4.847 0 40 FJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2c1C 19582624 UUDQZZFIOHBIDV-LJQANCHMSA-N 366.505 4.838 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)cc1 20495987 SOCLSYQWBZNBAM-AWNIVKPZSA-N 363.417 4.521 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1ccccc1N1CCc2ccccc21 31532690 IGGNVNCJSYFIMD-UHFFFAOYSA-N 361.445 4.557 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCc2sccc2[C@H]1C 31714974 KVNJNCOSHGFJNG-GHMZBOCLSA-N 370.301 4.968 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1 32691663 HRLYPMHRVNDUMX-UHFFFAOYSA-N 365.454 4.747 0 40 FJAB COc1ccc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1O 40285266 NOHZFROKJWLQHY-CYBMUJFWSA-N 352.415 4.648 0 40 FJAB CSc1cccc(NC(=O)CN[C@H](c2ccc(C)cc2)C(F)(F)F)c1 48342295 PGVYVOSJUCONBQ-QGZVFWFLSA-N 368.424 4.549 0 40 FJAB Cc1ccccc1CNc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12 67288299 VRZKJRXCUVNQLZ-UHFFFAOYSA-N 363.436 4.530 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)C1(c2ccccc2)CCOCC1 75482296 UOURYNSWPQIMIG-UHFFFAOYSA-N 350.245 4.680 0 40 FJAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 78877875 CSDPLABTJLVZOH-LJQANCHMSA-N 367.537 4.917 0 40 FJAB CO[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1C 96105202 XJASEEYDLFVQEF-JOCHJYFZSA-N 374.484 4.771 0 40 FJAB Cc1nc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C(C)C)s1 96232147 CZDLRURTKMRENO-HNNXBMFYSA-N 356.495 4.578 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 96586402 AWQCXONTNAMHRY-CYBMUJFWSA-N 359.853 4.633 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 102327060 VLDVLHDBWMNDTG-CWRNSKLLSA-N 369.490 4.533 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSc1ccc(C)cc1 222978189 ORZVUXGMJFZCCU-FQEVSTJZSA-N 357.519 4.678 0 40 FJAB CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc2c(c1)CCCC2 223073926 DIMHOIRUUXVVFR-QFIPXVFZSA-N 351.490 4.992 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCOc2cccc3ccccc23)cc1 223510437 NVJPKSFAISCOGH-QGZVFWFLSA-N 365.498 4.824 0 40 FJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224155474 DDCZZUOCOZPJBW-PMACEKPBSA-N 362.502 4.641 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224420085 RIFPXVJAOMWFQE-QGZVFWFLSA-N 369.505 4.509 0 40 FJAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 225642697 ARAIKUAQAMEQGM-UHFFFAOYSA-N 372.468 4.794 0 40 FJAB CCOc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1 408585789 IPIQCCMLZRTSNC-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB Cn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1 667163219 NSYWPGRLGRXHHP-UHFFFAOYSA-N 352.438 4.536 0 40 FJAB COc1ccccc1-c1cc(CNc2nc3cc(C)ccc3s2)on1 1655714794 DEZVWLHVKFWOIO-UHFFFAOYSA-N 351.431 4.880 0 40 FJAB C[C@@H]1Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 684251 DJIXDWNNVRTAEB-LLVKDONJSA-N 370.865 4.635 0 40 FJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(F)c3)c2C1 2634800 CUMOOAMCSGIHCD-GFCCVEGCSA-N 352.384 4.890 0 40 FJAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2cc(C)ccc2C)cc1 3230424 XLCXRDMRLWFOFP-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3262432 QHKXFHCHZMQDJY-CQSZACIVSA-N 367.426 4.724 0 40 FJAB CC[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4174621 GWKYOVLVPUVKHM-OAHLLOKOSA-N 355.488 4.715 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 4519996 AMRZZSRIOACHGK-LBPRGKRZSA-N 354.302 4.932 0 40 FJAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)C[C@H]1C 4590539 JLNBDQQOBFYYLP-IERDGZPVSA-N 364.489 4.952 0 40 FJAB O=C(COC(=O)c1ccc2ccccc2c1O)c1ccc2ccccc2c1 4610459 SBALDNCODGCPRJ-UHFFFAOYSA-N 356.377 4.738 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CCSc3ccccc32)c1 5176916 CFFOGLNBTVJABQ-GOSISDBHSA-N 355.503 4.851 0 40 FJAB CCc1ccc(-c2n[nH]c(SCCCC(=O)c3cccs3)n2)cc1 5178306 BEGDQPGCPHOJIO-UHFFFAOYSA-N 357.504 4.851 0 40 FJAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2c(c1)oc1ccccc12 6276824 MHPWNFFWGXNRLG-UHFFFAOYSA-N 360.438 4.642 0 40 FJAB O=C(OCc1cn2cc(Cl)ccc2n1)C1(c2ccccc2F)CCCC1 6371183 DMZOXEOBDYRUKT-UHFFFAOYSA-N 372.827 4.682 0 40 FJAB CC(=O)c1sc(NC(=O)/C=C/c2cccs2)nc1-c1ccccc1 6692813 DFAVWPYSHLCJAE-MDZDMXLPSA-N 354.456 4.726 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 7294622 PUAQTJUOZQOZHL-LLVKDONJSA-N 366.280 4.577 0 40 FJAB COc1ccccc1CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 8390704 VBRPDYWXUXFZMI-UHFFFAOYSA-N 366.486 4.925 0 40 FJAB CN(C)c1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)cc1 8706858 FDDZSODCKQHRIN-UHFFFAOYSA-N 371.469 4.739 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 9141892 ZXRAOPIKVZJXPE-LFIBNONCSA-N 356.425 4.520 0 40 FJAB O=C(/C=C/c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9419701 UYGASZYQLGMFHR-DOJUMQAQSA-N 351.837 4.593 0 40 FJAB Cc1ccc([C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 12698785 SZYNGZTVBPPJDA-DEOSSOPVSA-N 354.453 4.925 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(CN2CCCC2)cc1 12793658 XOJXDMYCTIYCGL-UHFFFAOYSA-N 358.869 4.505 0 40 FJAB Cc1ccc(F)c(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c1 12985537 LINLTJHHUNSSQT-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 12985651 GXMXHUZVTQFPJV-AWEZNQCLSA-N 369.848 4.959 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1 12986708 KXMPBEGJEPWIJP-ULILPIJMSA-N 366.461 4.537 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 13017393 WODCWTHSDBAFBS-SFHVURJKSA-N 373.500 4.901 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 13695948 CZGMQCHVDVQVOM-UHFFFAOYSA-N 362.473 4.536 0 40 FJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 16751681 OANYOGIRZKUMII-SFHVURJKSA-N 367.832 4.792 0 40 FJAB Cc1cccc(OC[C@H](O)Cn2c(C3CCCCC3)nc3ccccc32)c1 16903717 KAGLQFAZTTUZRI-LJQANCHMSA-N 364.489 4.832 0 40 FJAB COc1ccccc1NC1=NN=C(C23CC4CC(CC(C4)C2)C3)CS1 16976518 GGCBTXSOVYTFLU-UHFFFAOYSA-N 355.507 4.782 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)C1 20454218 OOVIWOAMJYNTMF-INIZCTEOSA-N 356.897 4.502 0 40 FJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(Cl)cc1 22072308 GMODWNFOFOAUGH-UHFFFAOYSA-N 367.836 4.608 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 40097838 ZLAVIJBAWIHGGF-LLVKDONJSA-N 365.355 4.547 0 40 FJAB Cc1cc(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)no1 40286562 WKKLRGRQPPYXGZ-UHFFFAOYSA-N 371.849 4.953 0 40 FJAB CCCOc1ccc(S(=O)(=O)NC2CCCCCC2)c2ccccc12 41095392 RMOGCSFEKLQKBT-UHFFFAOYSA-N 361.507 4.630 0 40 FJAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2ccccc2)n1 72357596 HMITWHXOHKYIIL-JOCHJYFZSA-N 372.468 4.658 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357740 HDPJOARQDYRNLD-HSZRJFAPSA-N 374.459 4.718 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccnc(Oc2ccccc2)c1 83862020 WATKWENONQPQAY-UHFFFAOYSA-N 370.811 4.939 0 40 FJAB Cc1ccc(CN(C)C(=O)c2cc3ccccc3cc2NC(=O)C(C)C)o1 84195395 NTYOODQYIXVKPT-UHFFFAOYSA-N 364.445 4.608 0 40 FJAB Brc1cccc(N2CC[C@H](CNc3nc4ccccc4o3)C2)c1 84600434 QHEODHYBTOZEMS-CYBMUJFWSA-N 372.266 4.529 0 40 FJAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1cccc2ccccc12 100137636 MXCNNFLSDUWUCZ-UHFFFAOYSA-N 354.413 4.507 0 40 FJAB Nc1ccc(Nc2ccc(Cl)c(Cl)c2)c(C(=O)N2CCCC2)c1 225475824 JDCZJQZNHNCXPG-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 225481875 ZYODHTCQMJANEK-GOSISDBHSA-N 367.518 4.560 0 40 FJAB CCCc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 225763341 NKEVONKMIIRLDD-PFUDIIGSSA-N 369.505 4.510 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1C 225807917 QAHLNQZURKBPBL-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247432714 UVSKMCDCQANQJJ-XLZCKVLHSA-N 355.384 4.960 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1C(F)(F)F 408563092 IKTVPUVANULESG-QHHAFSJGSA-N 369.726 4.739 0 40 FJAB Cc1cccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)c1 409083481 AUJFJLRYCZIBMR-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB O=S(=O)(Nc1cccc(SC(F)F)c1)c1ccc(Cl)s1 727362615 FQASEVGNUCFMEW-UHFFFAOYSA-N 355.840 4.517 0 40 FJAB COc1ccc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)cn1 1624861060 WKQHMSBHRANBEU-WOJBJXKFSA-N 366.505 4.502 0 40 FJAB O[C@H](CNCc1ccccc1Cl)Cn1c2ccccc2c2ccccc21 1775970960 AJNBLDNAEMQOMO-QGZVFWFLSA-N 364.876 4.599 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccc(Cl)s1 1775977191 GSDBPZGJIGWFLE-CYBMUJFWSA-N 363.891 4.593 0 40 FJAB Cc1ccccc1NC(=O)c1ccc(Br)cc1Br 682396 AKNWQEHRVULUQP-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB c1ccc(-c2nc(Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 944281 ZCQWUHFADVCXGC-UHFFFAOYSA-N 355.397 4.812 0 40 FJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccccc2)cc1 993545 FNFWBBFXQLXOTH-FYJGNVAPSA-N 373.383 4.749 0 40 FJAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 1295122 ANXUIXZPWCIQOO-SFHVURJKSA-N 350.805 4.925 0 40 FJAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 1447543 UQEOWPIBFDJTNQ-MRXNPFEDSA-N 358.445 4.534 0 40 FJAB CC(C)(C)OC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 1491891 PHVAHYDCWRJUQV-UHFFFAOYSA-N 352.459 4.731 0 40 FJAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 2742703 BJBRYKMJIGYZQQ-KRWDZBQOSA-N 368.462 4.917 0 40 FJAB Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2cccnc2s1 2961529 DHSXOZDWKXFBPQ-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N=C1O 3000029 LURQNTVVJXUOPT-YRNVUSSQSA-N 358.282 4.567 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1ccc(I)cc1 3058131 KVHDJWJKRICONM-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB COc1cc(SC)ccc1C(=O)OCc1csc(-c2ccccc2)n1 3275509 VHWFKRRHYURNOU-UHFFFAOYSA-N 371.483 4.898 0 40 FJAB COc1ccc(/C=C/C(=O)N2c3ccccc3CO[C@@H]2c2ccccc2)cc1 3642876 VELZGTWAIKKLDM-KROBSHITSA-N 371.436 4.971 0 40 FJAB CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 4075757 QDYOVTDVBNPLNA-UHFFFAOYSA-N 364.879 4.689 0 40 FJAB Cc1nn([C@H](C)c2ccccc2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 4671045 HYRNMHWKPGYXFR-FOIQADDNSA-N 363.486 4.576 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2C)o1 5032858 BBFKIDROGBDKOF-UHFFFAOYSA-N 351.402 4.818 0 40 FJAB COc1ccccc1/C=C/c1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 5267456 CYJGUMLXLALOPN-VAWYXSNFSA-N 360.438 4.831 0 40 FJAB Cc1ccc(C)c(-c2csc(NC(=O)COc3ccc(F)cc3)n2)c1 6237556 GKKPDRGKRGDZMQ-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(C)c1 6315782 YANQQHMZHBRNCP-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1 6797019 ZPDBRXUXPRHKEH-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 6953458 ZFCXKZKINKQOJZ-UHFFFAOYSA-N 371.687 4.920 0 40 FJAB CCCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CCC)ccc3[nH]2)cc1 7343509 YGADIMHCFZDLOY-UHFFFAOYSA-N 364.449 4.707 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)C[C@H](NC(C)=O)c1ccccc1 7801604 MIXFFOMSPNNKQP-IBGZPJMESA-N 372.896 4.671 0 40 FJAB Cc1ccccc1-c1nc2ccc(NC(=O)COc3ccccc3)cc2o1 8190282 YHHIIONHPFHVFO-UHFFFAOYSA-N 358.397 4.821 0 40 FJAB C[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 8303997 ZLQVFBTUPCKBTE-HNNXBMFYSA-N 354.450 4.567 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 8494792 MQPDAMJWROHBNH-IBGZPJMESA-N 351.490 4.552 0 40 FJAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063294 LNLHWRJQISUYSC-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB O=C(Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1)c1cccs1 9096396 NQGJWZHSLOADMP-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1N1CCCC1 12522490 GHVLUHOQNUOBGZ-UHFFFAOYSA-N 369.515 4.653 0 40 FJAB Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 12530968 LGLRACBARNKYLL-IRXDYDNUSA-N 373.460 4.643 0 40 FJAB CN(Cc1cnn(-c2ccccc2)c1)c1ncc(C(F)(F)F)cc1Cl 12888098 HEKVYZFHDAYTTC-UHFFFAOYSA-N 366.774 4.576 0 40 FJAB CC[C@H](NC(=O)c1cc2cc(OC)cc(OC)c2[nH]1)c1ccc(Cl)cc1 12904813 AFWQXLJHRVGXPS-INIZCTEOSA-N 372.852 4.720 0 40 FJAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2C1 13941814 PEGYIINVXXJBEM-TXEJJXNPSA-N 357.759 4.595 0 40 FJAB CCCOc1ccc(NC(=O)COc2cccc(C)c2C)c2cccnc12 15840989 PGAPTXVFUWHBIL-UHFFFAOYSA-N 364.445 4.658 0 40 FJAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)Nc5nccs5)(C4)C2)C3)cc1 17823345 KRTGTHXJEXMIIB-XBLGPDGASA-N 367.518 4.864 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)nc1 20836168 MVEWKXRDOFXQKG-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(=O)c1ccccc1 27789659 ASOKHPXVOMDBAS-UHFFFAOYSA-N 362.454 4.630 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 27793190 RAKINUHFLFGWDX-JOCHJYFZSA-N 364.533 4.859 0 40 FJAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCCC1 27921904 BZBDYKSMWAWNGR-UHFFFAOYSA-N 357.473 4.986 0 40 FJAB COc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc1 28251731 VGSBOPMPRJILEM-UHFFFAOYSA-N 372.424 4.992 0 40 FJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1Cc2ccccc2O1 30316827 FFUNRRNUVRIWPH-GTNSWQLSSA-N 350.245 4.517 0 40 FJAB Cc1cc(C)nc(Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)n1 32769876 IOWZOEDGYUWZRK-UHFFFAOYSA-N 358.397 4.968 0 40 FJAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1cnn(Cc2ccccc2)c1 65582506 MMCHXBBJCWTOFV-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1C[C@@H]1c1ccccc1F 69929303 OPTNWIMIBMPYOU-CVEARBPZSA-N 353.393 4.609 0 40 FJAB Fc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)c(Cl)c1 71761716 JUNNCHKNNZGEQE-UHFFFAOYSA-N 363.889 4.884 0 40 FJAB O=C1OC(Cc2ccc(F)cc2)(Cc2ccc(F)cc2)C2=CCCCN12 72233809 RRTIOPBFGGVCQN-UHFFFAOYSA-N 355.384 4.619 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccco2)n[nH]1 72312834 KWZNWVZDZXHFCY-UHFFFAOYSA-N 363.352 4.515 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)C1(c2ccccc2)CCOCC1 72403470 OBRCREDAGSVXCX-UHFFFAOYSA-N 370.499 4.559 0 40 FJAB O=C(CCc1ccc(C(F)(F)F)cc1)N(CCc1cccs1)C1CC1 96120311 WJXPKVJVWRGYAV-UHFFFAOYSA-N 367.436 4.933 0 40 FJAB Cc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3ncnc3N2)cc1 101097177 DIUNIXOMRCBGJY-MRXNPFEDSA-N 357.244 4.949 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 107906137 FMMSGQMRIRQAFM-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB Cc1cccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 222743109 PLULYESJUSADTD-SFHVURJKSA-N 355.503 4.647 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C 223495559 NIIUHZRKRJJIBF-GOSISDBHSA-N 351.490 4.747 0 40 FJAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224703930 OZKSKZQDEIWAHL-UHFFFAOYSA-N 373.861 4.957 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)cc1Cl 225377389 FBWBKLAUCWCIKY-KRWDZBQOSA-N 371.352 4.697 0 40 FJAB CCNC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 225447031 BKTHKHALJWCYKH-UHFFFAOYSA-N 363.486 4.913 0 40 FJAB O=C(NC1CCCCC1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225457715 UFEVJUYVIBGHGZ-UHFFFAOYSA-N 371.481 4.697 0 40 FJAB CCCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225527157 BOGDJPLNUVOJAD-UHFFFAOYSA-N 373.865 4.900 0 40 FJAB COc1ccc(C2(NC(=S)Nc3ccc(F)cc3F)CCCC2)cc1 225857248 HTHYXKVLXFHPJV-UHFFFAOYSA-N 362.445 4.729 0 40 FJAB Cc1ccncc1CNc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 572888110 JAPAKLQHHRBJLU-OAHLLOKOSA-N 357.885 4.670 0 40 FJAB O=C(Cc1ccccc1)c1ccc(Br)cc1OC(F)(F)F 575362674 XAVLPIDKJNMMIJ-UHFFFAOYSA-N 359.141 4.773 0 40 FJAB CC(C)C[C@H]1OCCC[C@H]1Nc1ncnc2c(-c3ccccc3)nsc12 1639820157 FPCQMZKLUQQSQY-HZPDHXFCSA-N 368.506 4.759 0 40 FJAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)Nc1ccccc1Cl 1775968706 LNSDEGIWUDDKBL-AWEZNQCLSA-N 362.838 4.517 0 40 FJAB CSc1nc(OCC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 985044 AKFWCVUHBPBNLK-UHFFFAOYSA-N 370.499 4.554 0 40 FJAB COc1ccc(/C=C/C(=O)Oc2ccccc2-c2ccccc2)c(OC)c1 1780428 QLNFRMNXRMYJJX-FYWRMAATSA-N 360.409 4.990 0 40 FJAB CCCCC(=O)NC(Nc1cccc(C)c1)(C(F)(F)F)C(F)(F)F 3024846 VCQDTSQGXVOHCT-UHFFFAOYSA-N 356.310 4.534 0 40 FJAB COc1ccc([C@H]2CC(=O)C[C@H]3CCCCN32)cc1OCc1ccccc1 3847177 DSKCHQXVNIWUAV-TZIWHRDSSA-N 365.473 4.533 0 40 FJAB biogenic CC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4174620 GWKYOVLVPUVKHM-HNNXBMFYSA-N 355.488 4.715 0 40 FJAB COc1ccc2nc(Nc3nc4cc(OC)c(OC)cc4s3)sc2c1 5122695 LRIBAHUZOJUDIH-UHFFFAOYSA-N 373.459 4.675 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCc3ccccc32)o1 7115078 KVFHRJXXWQHAOK-UHFFFAOYSA-N 372.428 4.653 0 40 FJAB Cc1cccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)c1 8414537 VSIBXFHFHBRRSG-UHFFFAOYSA-N 358.894 4.831 0 40 FJAB O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2c(F)ccc(F)c12 8580447 BJBXJUMCCZGGEJ-UHFFFAOYSA-N 360.669 4.541 0 40 FJAB CCCOc1ccc(C(=O)Nc2nc3c(OCC)cccc3s2)cc1 8738596 UWFQHBYZEIDOAY-UHFFFAOYSA-N 356.447 4.736 0 40 FJAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccco2)c2ccccc21 9553861 XNRYWAARYGRZBL-HRAATJIYSA-N 374.440 4.813 0 40 FJAB O=C(c1c(F)cccc1Cl)N(C(=O)N1CCCCC1)c1ccccc1 10254464 QCYYZYAOBGFBJY-UHFFFAOYSA-N 360.816 4.732 0 40 FJAB COCCNc1oc2c(c1-c1ccccc1F)c(=O)oc1ccc(C)cc12 11614790 KVRCPDSZEHQBDF-UHFFFAOYSA-N 367.376 4.712 0 40 FJAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 12676477 PEGSMEXVVIIRRN-ACJLOTCBSA-N 373.294 4.517 0 40 FJAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(-c2cccc(OC)c2)n1 12745578 WVWPPTFIRCYZNV-UHFFFAOYSA-N 356.447 4.607 0 40 FJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 12853431 QABXNAQRUPRPHE-QGZVFWFLSA-N 370.452 4.582 0 40 FJAB C[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(F)c(F)c1 14252731 YITWHDQSQSYDNE-LLVKDONJSA-N 365.470 4.934 0 40 FJAB O=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccc(C(F)(F)F)cc1 15017219 DIGSNWJBYXUWLD-ZDUSSCGKSA-N 370.168 4.746 0 40 FJAB COc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1Cl 16850093 DBLJHASHBDMTGM-UHFFFAOYSA-N 373.865 4.730 0 40 FJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c(F)c1 19240232 HFSXAAOKXKGSNN-KRWDZBQOSA-N 362.495 4.734 0 40 FJAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)C3CCCC3)c2)c1 19690648 YBUKXDIWQZRKHO-QFIPXVFZSA-N 364.489 4.919 0 40 FJAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCc4ccccc43)nc2C1 20102017 LRGRBBCQUHEZJH-SFHVURJKSA-N 369.468 4.700 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1 20610573 MVSGBENXJWITKV-UHFFFAOYSA-N 370.456 4.725 0 40 FJAB O=C(Cc1cccc2ccccc12)N1CCCC[C@H]1CCN1CCCCC1 21170496 RCUHRLGFHXOUHH-QFIPXVFZSA-N 364.533 4.639 0 40 FJAB CCc1ccc(/N=c2\scc(-c3ccc(CC)cc3)n2CCO)cc1 22855391 ZEYVERQLLOTZID-DQRAZIAOSA-N 352.503 4.566 0 40 FJAB CC(=O)NCCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1F 30447063 HDVORARZVSVOAM-UHFFFAOYSA-N 373.428 4.511 0 40 FJAB Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1F 31420554 GZHFYSDWFUCFCY-UHFFFAOYSA-N 362.451 4.723 0 40 FJAB O=C(NC1CCCCCCC1)C1CCN(Cc2ccccc2Cl)CC1 39744797 PNUCGLBYCALLGM-UHFFFAOYSA-N 362.945 4.781 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2)cc1OCC 44899823 XCMAUOZFENVSDL-QGZVFWFLSA-N 355.478 4.602 0 40 FJAB O=C(O)/C=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327508 RPDXRILUHPVVMH-ZZXKWVIFSA-N 361.113 4.826 0 40 FJAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72348610 GZUZWPBEJZMVSY-IBGZPJMESA-N 372.468 4.777 0 40 FJAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(OC)c1 80344858 WAYHWTVVAAKIRH-GJZGRUSLSA-N 366.244 4.753 0 40 FJAB Cn1cc(NC(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cn1 84318677 GRWBAALDHBKBND-UHFFFAOYSA-N 360.339 4.750 0 40 FJAB CCOC(=O)c1c(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc2c1C 102365871 YWZFVXOUXCSUPH-VUHPKUFZSA-N 366.505 4.634 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 219529564 UCVBLLCKRUBSDC-IBGZPJMESA-N 369.505 4.607 0 40 FJAB Cc1ccc(CSCCNC(=O)COc2ccc3ccccc3c2)cc1 222831747 LIMGADUDTPBPHF-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1C 224431494 NFNUDNMSIHRNNU-SFHVURJKSA-N 360.457 4.695 0 40 FJAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224913187 JJXWAJWSSWBBFK-HNNXBMFYSA-N 364.445 4.936 0 40 FJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1 224991169 ZAMWEYOGQKLOFU-UHFFFAOYSA-N 362.303 4.540 0 40 FJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(C)c(Cl)c1 225395931 ZLRZPMLPCNBQLM-UHFFFAOYSA-N 362.926 4.966 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225847656 UCRGASAVYRRTDP-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB CCOc1ccc(-n2c(C)nnc2SCc2ccc(Cl)cc2)cc1 409099298 KYFFLMCMMIHXMY-UHFFFAOYSA-N 359.882 4.920 0 40 FJAB CCCSCc1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 1775972054 BNIMZZFHRCQGPU-UHFFFAOYSA-N 358.414 4.515 0 40 FJAB CCOC(=O)c1cnc2c(Cl)cccc2c1NCCc1ccccc1 940254 YONHHSBSXQBQLC-UHFFFAOYSA-N 354.837 4.720 0 40 FJAB COc1ccc(-n2c(-c3ccc(OC(F)(F)F)cc3)n[nH]c2=S)cc1 1047842 GVQIHKFFXLIWGG-UHFFFAOYSA-N 367.352 4.504 0 40 FJAB Cc1ccccc1N1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)SC1=S 1151290 OWDZKRBGXBFHPV-YBEGLDIGSA-N 370.455 4.617 0 40 FJAB COc1ccc(CCNC(=N)[C@@H](C)c2ccc(C(C)C)cc2)cc1OC 1322659 UFRHOSKAFOVMIR-INIZCTEOSA-N 354.494 4.740 0 40 FJAB biogenic Cc1cccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 1972525 XNSZPHYMXKDIME-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1cc(Cl)cc(Cl)c1)C3 2120757 UNAAHYGTEARYEJ-UHFFFAOYSA-N 362.212 4.765 0 40 FJAB biogenic Cc1cc(C)c(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1C 2623207 YDZOVUZDTRFIGK-UHFFFAOYSA-N 365.502 4.535 0 40 FJAB Cc1cnc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)s1 2763640 DYTGNJBMSJRTIE-UHFFFAOYSA-N 362.838 4.838 0 40 FJAB CSCc1c(C(=O)Nc2ccc(NC(C)=O)cc2)oc2ccccc12 3343677 HQEKNLKNIKMJEN-UHFFFAOYSA-N 354.431 4.507 0 40 FJAB O=C(NCCSCc1ccco1)c1ccc(Oc2ccccc2)cc1 3359618 YMOVGUZLLMUYRK-UHFFFAOYSA-N 353.443 4.735 0 40 FJAB COc1ccc(C)cc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3398486 GFCCVPBXDIHZRU-UHFFFAOYSA-N 372.774 4.726 0 40 FJAB CC1=CC[C@@H]2C(C)(C)C(=O)C[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 4081351 BUPDBEMKWPDILI-GWJPWWOOSA-N 366.457 4.760 0 40 FJAB biogenic CSc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc1 4585620 WKZGQPRKSVRMCN-UHFFFAOYSA-N 365.458 4.590 0 40 FJAB COc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1 4632349 IENOXMHPDLOLSD-UHFFFAOYSA-N 350.809 4.802 0 40 FJAB CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 5256154 KDPPIUIRIRRUAH-MRXNPFEDSA-N 366.292 4.708 0 40 FJAB Cc1sc2ncn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=O)c2c1C 5319336 AGXRWEGVFBYZEN-UHFFFAOYSA-N 374.465 4.625 0 40 FJAB COc1ccc(C)cc1N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5701632 GYLDJDAAXVACTR-OAQYLSRUSA-N 364.420 4.935 0 40 FJAB O=C(/C=C/c1cccs1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6510799 DVYMGQCYUIUFFR-HBWSCVEGSA-N 370.499 4.583 0 40 FJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)cc2OC)N3)C1 6934499 SUHAUYMPWRTDQG-BBATYDOGSA-N 372.490 4.709 0 40 FJAB Fc1ccccc1-c1nnc(SCc2ccccc2Br)o1 7192882 DBIPJOGLGLXZHT-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4OC)cnn23)cc1 7572487 GQNUEFARMRXWAZ-UHFFFAOYSA-N 374.444 4.856 0 40 FJAB O=C(CCc1nc2ccccc2o1)NC(c1ccccc1)c1ccccc1 8324524 PRMIPYWVWIIJEK-UHFFFAOYSA-N 356.425 4.666 0 40 FJAB Cc1cc(C)cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 8491251 SYVRWIPELJFEOX-QGZVFWFLSA-N 366.486 4.739 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 9064456 BAOLJULNKZNAQG-QGZVFWFLSA-N 352.478 4.645 0 40 FJAB CC(C)c1n[nH]c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 9515504 GIMUOLPHEIPEAU-UHFFFAOYSA-N 357.483 4.568 0 40 FJAB COc1ccc2cc(CNC(=O)N(C)[C@H](C)c3ccc(F)cc3)ccc2c1 10496112 RSOHOHVSAJXQRU-OAHLLOKOSA-N 366.436 4.890 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12777633 AGGZFSKLOXAVJA-UHFFFAOYSA-N 369.827 4.714 0 40 FJAB C[C@@H](c1ccccc1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 16047209 IMUIKBFKTPHJPU-SFHVURJKSA-N 352.478 4.759 0 40 FJAB Cc1ccc(OC[C@H](O)Cn2c(C3CCCCC3)nc3ccccc32)cc1 16903704 NJMXKMVTGKYBTB-LJQANCHMSA-N 364.489 4.832 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 16999255 WTLLWDHZLGXIAG-MRXNPFEDSA-N 364.445 4.586 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 19933163 FIYOLSREAYMUAQ-QFIPXVFZSA-N 361.441 4.532 0 40 FJAB CCOC(=O)c1cc(NC(=O)c2cc3cccc(OC)c3o2)ccc1Cl 20040132 LCACLJPMPUUSAA-UHFFFAOYSA-N 373.792 4.524 0 40 FJAB Cc1cc(C(=O)CSc2nc(-c3ccco3)nc3ccccc23)c(C)[nH]1 22417423 QUFNUDLYVQJSGT-UHFFFAOYSA-N 363.442 4.810 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 22511699 LUSDGSLZMVRKOT-LBPRGKRZSA-N 365.882 4.785 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1Cl 22523572 GSMFVDDYKMAYNJ-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB CN(C)CCCNC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl 26688051 WUUAXAOSQHGJSY-UHFFFAOYSA-N 352.931 4.534 0 40 FJAB COC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 27843646 FVIBFMBTKOCWJO-BFPSFQEHSA-N 362.554 4.612 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)cc2C)cc1OCc1ccncc1 32832276 VHDHICKMWRRVSD-UHFFFAOYSA-N 362.429 4.538 0 40 FJAB O=C(/C=C/c1ccco1)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 32942970 HUHZEEGZPGVSMG-OUKQBFOZSA-N 371.392 4.867 0 40 FJAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 38833334 ZWJRRABWTCJSDX-SFHVURJKSA-N 356.897 4.808 0 40 FJAB O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccccc1Br 40059881 RVWAMLRYJGWYHK-GOSISDBHSA-N 368.230 4.791 0 40 FJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(OC(F)F)cc1 40103168 PBKGBXMXORYLMG-SNVBAGLBSA-N 356.319 4.791 0 40 FJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104625 AQPHCSSKNOLCPM-AWEZNQCLSA-N 371.456 4.579 0 40 FJAB C[C@H](NC(=O)CN[C@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 57854129 HXDMCKICWVCTJW-KGLIPLIRSA-N 356.853 4.614 0 40 FJAB CN(C(=O)Nc1ccc(F)cc1)[C@@H](c1cccc(F)c1)c1ccccn1 58282649 XGJYPSVDDLVZTR-IBGZPJMESA-N 353.372 4.613 0 40 FJAB COCc1c(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)sc2cccc(F)c12 72296961 PIESROBNAILTCG-MGPQQGTHSA-N 361.482 4.885 0 40 FJAB O=C(N[C@H](SCc1ccccc1)C(=O)c1ccccc1)c1cccs1 80346138 ZDEFSQBQKDBHDT-HXUWFJFHSA-N 367.495 4.620 0 40 FJAB FC(F)(F)[C@H]1CCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 95949232 RNBSEUIBRXSCPW-GXTWGEPZSA-N 363.807 4.712 0 40 FJAB O=C(c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12)N1CCCCC1 96154748 XSILWPUMTFGUCD-UHFFFAOYSA-N 362.477 4.544 0 40 FJAB CSc1cccc(N2C(=S)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C)c1 101390427 XAGQLSGNKZKLJZ-LLSQANQASA-N 356.516 4.589 0 40 FJAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccn1 102710637 WSLLKDHEPHOBCY-NRFANRHFSA-N 361.445 4.894 0 40 FJAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)O 118924354 WESDBOJFPODCAU-ZEBOLCJHSA-N 362.554 4.958 0 40 FJAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 222641937 JMUUYSKFSJWVMY-INIZCTEOSA-N 367.489 4.565 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2cccc3ccccc23)c1 222673493 XVXLGAOCIFMVPW-UHFFFAOYSA-N 361.441 4.896 0 40 FJAB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222948905 TZHPKMJGTGQWFA-GOSISDBHSA-N 351.490 4.910 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223718761 DJTISKDLQZKILK-HXUWFJFHSA-N 369.505 4.645 0 40 FJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 224129909 KGEGVPRTHDYFBH-GOSISDBHSA-N 369.505 4.563 0 40 FJAB COc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)nn2)cc1 408528605 JXFWAEVCPMMNFF-UHFFFAOYSA-N 362.429 4.669 0 40 FJAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1C 408628048 PWDCVNQFXVJGHX-UHFFFAOYSA-N 367.474 4.760 0 40 FJAB COc1ccc(/C=C(/C(=O)NCc2ccccc2C)c2ccccc2)cc1 408926555 UQIOODDZMFXPME-XQNSMLJCSA-N 357.453 4.861 0 40 FJAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1)Nc1ccccc1 409264251 QAHXZLAFXSZOJV-UHFFFAOYSA-N 366.848 4.970 0 40 FJAB C[C@@H](NC(=O)c1ccc2nc(O)oc2c1)c1ccccc1Oc1ccccc1 625019959 RJYSUAWGXAQVLM-CQSZACIVSA-N 374.396 4.817 0 40 FJAB Cc1cc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c(C)o1 1615155140 IBEPOZOOFCIKRW-QFIPXVFZSA-N 370.468 4.699 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)Nc1ccccc1Cl 1775968916 OZRSTKGZYSBLMT-ZDUSSCGKSA-N 362.838 4.517 0 40 FJAB CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 683163 AYHYGECEKKBRBY-UHFFFAOYSA-N 374.550 4.940 0 40 FJAB CCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccc(F)cc2)s1 1356322 ZCUGMBMLHVOMFM-UHFFFAOYSA-N 361.829 4.664 0 40 FJAB CCc1ccc2c(c1)c1nc(C)sc1n2S(=O)(=O)c1ccc(C)cc1 2197050 JEJQZBULOVUUAQ-UHFFFAOYSA-N 370.499 4.667 0 40 FJAB O=C(Nc1ccc(F)cc1)c1cccc(-c2cc3ccccc3oc2=O)c1 2448632 QLBYPAXXYUYZRZ-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)n2)c(C)c1 3065518 ZQVRRYMNBXVZTL-UHFFFAOYSA-N 373.456 4.820 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3322542 WAEQXMGLICRARZ-KPKJPENVSA-N 372.395 4.836 0 40 FJAB COc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1Cl 3421651 RROHQYOMFVHCLE-UHFFFAOYSA-N 352.821 4.638 0 40 FJAB CC[C@@H](C(=O)Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1 4033044 MDPRTJPMFPEUGZ-LJQANCHMSA-N 356.429 4.529 0 40 FJAB CC[C@@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N1CCc1ccccc1 5822500 WFROSGCKIVNHOI-RUZDIDTESA-N 368.480 4.824 0 40 FJAB COc1cc(C)c(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1OC 6258974 SWNXZYWUWJNQIU-RMKNXTFCSA-N 365.351 4.683 0 40 FJAB Cc1nnc(SCc2cc(-c3ccccc3)on2)n1Cc1ccccc1 7328915 LBTSFVMZXPXJLM-UHFFFAOYSA-N 362.458 4.582 0 40 FJAB Cc1ccn2c(NC(=O)CCc3ccsc3)c(-c3ccccc3)nc2c1 8012854 BVXGTKBNPFGOHF-UHFFFAOYSA-N 361.470 4.943 0 40 FJAB C[C@]12C[C@H](NC(=S)N1c1cccc(Cl)c1)c1cccc(Cl)c1O2 8023787 ZMRGRFAHNXSYSA-YOEHRIQHSA-N 365.285 4.928 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(C)c1 8281002 NTVPATRLNZNCLW-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB CN(C(=O)c1ccccc1Cl)c1ccccc1C(=O)NC1CCCCC1 8375236 JDRIXRRFNMJEGR-UHFFFAOYSA-N 370.880 4.679 0 40 FJAB Cc1ccccc1-c1cc(C(=O)NC2CCCC2)c2cnn(C(C)C)c2n1 8756354 MIRJAFBYUVZGML-UHFFFAOYSA-N 362.477 4.660 0 40 FJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCC(C)CC3)cc2s1 9486644 ONPFVTUVJKFZFW-UHFFFAOYSA-N 353.491 4.576 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 11169509 WCHKELMOVGPZSA-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(Cl)c(Cl)c1 11801643 YHYQMYGHPOIEMV-QPJJXVBHSA-N 353.201 4.679 0 40 FJAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)on1 12119691 MSJVHBRYMASSCB-QGZVFWFLSA-N 369.396 4.535 0 40 FJAB C=Cn1ncc(CN(Cc2ccccc2)C2CC(C)(C)NC(C)(C)C2)c1C 12186673 GRWAWCRLZDUHCT-UHFFFAOYSA-N 366.553 4.603 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12603349 AGBZEPCPOVLGRM-KRWDZBQOSA-N 367.493 4.515 0 40 FJAB Cc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1Cl 12744242 NETWGJFAMVYREV-UHFFFAOYSA-N 355.916 4.951 0 40 FJAB Cc1cccc(C)c1NC(=O)CCc1c(C)nc(SC(F)F)nc1C 12973201 KMTVNZIWCJWJPY-UHFFFAOYSA-N 365.449 4.596 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 16740445 IBRHHORMTHGPOS-UHFFFAOYSA-N 369.424 4.866 0 40 FJAB CSc1nc(SC)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20032986 HAEMOKXBGGMLFY-UHFFFAOYSA-N 373.572 4.693 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C)cc1 20104637 UDAXIYGSENTWOG-JOCHJYFZSA-N 363.457 4.501 0 40 FJAB Cc1cccc(OCC(=O)OCc2cc(-c3cc4ccccc4o3)on2)c1 22769037 GEKZKNANYPDNGA-UHFFFAOYSA-N 363.369 4.518 0 40 FJAB COc1ccc2nc(C)c(C(=O)N(C)[C@@H]3CCCc4ccccc43)cc2c1 25804831 DCWAKJVQKJJGEM-JOCHJYFZSA-N 360.457 4.701 0 40 FJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27747291 JQWFBFOURZWNHD-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c(C)c1 30751402 JCSACZSCXPHMSM-IBGZPJMESA-N 369.461 4.585 0 40 FJAB C[C@@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C(=O)c1ccc(Cl)cc1 32789367 DOHUOAZQYMWXGJ-BWODNOAJSA-N 369.877 4.992 0 40 FJAB C[C@@H]1C[C@H](OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 33526447 QWQRGWMBWMYNRI-OIBXWCBGSA-N 373.581 4.533 0 40 FJAB Cc1cccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1C 35313161 AXKFZMVMWYNBOY-UHFFFAOYSA-N 365.502 4.768 0 40 FJAB CCOc1ccc(CCC(=O)Nc2ccc(OC(C)C)cc2)cc1OCC 38772364 SJZJVIRANCYRBV-UHFFFAOYSA-N 371.477 4.843 0 40 FJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@@H]2CCCC[C@@H]21 40145728 AUMFJZHAGRXILY-BWVNKGDMSA-N 373.802 4.542 0 40 FJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(Cn2cccn2)c1 40152274 NPOMQAFXJWUSQE-OAQYLSRUSA-N 360.461 4.609 0 40 FJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccccc2)ccc1Cl 44900063 WEFYKVNPEKGNBX-LBPRGKRZSA-N 363.866 4.636 0 40 FJAB O=S(=O)(NCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 44901350 HENRPNFXSMRFHV-UHFFFAOYSA-N 373.861 4.611 0 40 FJAB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1cccc2cccnc12 49549635 PUPQMYBKYBIAPJ-QGZVFWFLSA-N 352.463 4.611 0 40 FJAB Cc1c(NC(=O)/C=C/c2cccc(Cl)c2)cccc1C(=O)N1CCCC1 58363217 WVFNIJTXUZVXMH-ZHACJKMWSA-N 368.864 4.536 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCOc2ccc(F)cc21 65547438 FVQKAPXXFIHSGD-IRXDYDNUSA-N 374.481 4.820 0 40 FJAB Fc1ccccc1-c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889774 OSPMFGPXCILZMS-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB COc1ccc(Br)c(C=O)c1OCc1ccc(Cl)cc1 95095000 UHVUUDFDEMWBEM-UHFFFAOYSA-N 355.615 4.503 0 40 FJAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3ccccc3o2)CC1 95458921 MKUVXDFDDCWXKO-UHFFFAOYSA-N 373.456 4.822 0 40 FJAB COc1cccc(OCCNC(=O)CC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c1 100233876 UGJGIKFXVGAJHU-YCVWAYHFSA-N 371.521 4.577 0 40 FJAB COc1ccc(Oc2cc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)ccc2OC)cc1 102707814 WFJNEKHIDUYLJO-DOXZYTNZSA-N 365.429 4.647 0 40 FJAB Cc1cc(OCC(=O)NCc2cccc3ccccc23)cc(C)c1Cl 222863769 AWLCCWKREDPYCM-UHFFFAOYSA-N 353.849 4.805 0 40 FJAB CCOC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 222935864 MNOOLOIAFVRLTR-UHFFFAOYSA-N 373.452 4.563 0 40 FJAB Cc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)nc1 224006043 RXYLCEALWCUAPE-UHFFFAOYSA-N 357.498 4.718 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 224966021 JRKXKERJGYPEJA-KRWDZBQOSA-N 352.478 4.645 0 40 FJAB COc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1Cl 225376860 MUSXIRKKBXBOQU-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(C)c1 225393520 OAPKKLFYUSCMBD-UYAOXDASSA-N 369.505 4.964 0 40 FJAB CCOc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 225677365 VZAXAMJQFOGUCA-QGZVFWFLSA-N 370.518 4.983 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225868671 ARUWVZQTMVJARW-UHFFFAOYSA-N 358.869 4.974 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 227145446 LCLOKTXPURRLGB-SECBINFHSA-N 373.667 4.943 0 40 FJAB CCCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 409051234 CBQSZTOPJCDLHG-UHFFFAOYSA-N 363.848 4.963 0 40 FJAB CC[C@@H](NC(=O)N1CCS[C@@H](c2ccccc2)C1)c1ccc(C)cc1 605215074 NFTPHBWEHPHJQW-WOJBJXKFSA-N 354.519 4.946 0 40 FJAB O=C(CSc1ccc(F)cc1)NC[C@H](c1ccsc1)c1ccco1 675007808 RZMPCRLJLGEEHE-MRXNPFEDSA-N 361.463 4.521 0 40 FJAB Cc1ccc2nc([C@H]3CCCN3c3ncnc4sc(C)c(C)c34)[nH]c2c1 675112799 WCBXVNYZLACJDL-MRXNPFEDSA-N 363.490 4.834 0 40 FJAB Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966825 DCDWXHJASCXMGI-LJQANCHMSA-N 352.459 4.579 0 40 FJAB CCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)c1 669059 RLBKQEPLLZSKCP-JOCHJYFZSA-N 374.440 4.865 0 40 FJAB CC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 1088649 AIXNNDDVPCMCHM-UHFFFAOYSA-N 358.397 4.521 0 40 FJAB Cc1ccc2[nH]cc(CCNC(=O)C(c3ccccc3)c3ccccc3)c2c1 2242008 IQZMOTQJOPWEBM-UHFFFAOYSA-N 368.480 4.967 0 40 FJAB biogenic CCCn1nc(NC(=O)c2ccccc2C)c2cc3ccc(C)cc3nc21 2378001 DYHQBNUVCFREMD-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB O=C([C@H]1CCCO1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 3334557 XGKBWXXQCJKHGD-MRXNPFEDSA-N 372.877 4.662 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1C 3655957 FGMUTPUEKDGDLW-UHFFFAOYSA-N 372.424 4.721 0 40 FJAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C)n2)cc1 4167325 VQJMDBAYDZQSQP-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H](C)c2cc3c(cc2Cl)OCO3)C1(C)C 4748219 LQIDMCQVHFVMEI-BNLOLNQZSA-N 350.842 4.911 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 4815050 QLYSDBLCCBFADS-LEWJYISDSA-N 374.488 4.844 0 40 FJAB Cc1c(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc(C#N)n1C 5267017 BMHHMUOXNMBMLM-UHFFFAOYSA-N 360.848 4.924 0 40 FJAB O=c1c2ccccc2nc(-c2ccccc2O)n1-c1cccc2ccccc12 5519227 QOLUEMNMVDQONB-UHFFFAOYSA-N 364.404 4.912 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1c[nH]nc1-c1cc2ccccc2o1 6314450 KQFZPJDDIHZUFJ-AUECHBEKSA-N 369.424 4.814 0 40 FJAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(F)cc1 6743327 JNHYQFQQCZVEAP-LJQANCHMSA-N 365.404 4.504 0 40 FJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)c(F)c2)cc1 7087945 MCNJTLAURADFLV-HXUWFJFHSA-N 366.367 4.745 0 40 FJAB Cc1cc(C(=O)COc2ccc(F)cc2Cl)c(C)n1-c1nccs1 7107777 DLICYGKCMNOXHF-UHFFFAOYSA-N 364.829 4.605 0 40 FJAB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cccs3)C[C@H]21 7596964 RLAFMTYGNLHQMO-AUUYWEPGSA-N 352.415 4.592 0 40 FJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1F 7655783 LVXLYBVIRXCYKH-FQEVSTJZSA-N 352.336 4.746 0 40 FJAB O=C(CCc1nc2ccccc2o1)Nc1cccc(/C=C/c2ccccn2)c1 7734608 ISTPQWOGPZFNSS-VAWYXSNFSA-N 369.424 4.965 0 40 FJAB O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(Cl)s1 7787196 ITYGVXYTEDBVQG-UHFFFAOYSA-N 359.878 4.680 0 40 FJAB C[C@H](c1nc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3o2)CC1 8920098 KLBSQBUILCLEMK-OAHLLOKOSA-N 374.444 4.818 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 9062994 QVXONABMMDWLRH-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB CSc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9063162 MHXRKHRUPMVTAL-UHFFFAOYSA-N 354.519 4.568 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1C 9274903 HWYZMDNHUWGHKA-UHFFFAOYSA-N 362.216 4.913 0 40 FJAB Cc1ccn(-c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)n1 12463171 WPIKMNDWBTXYSR-UHFFFAOYSA-N 358.445 4.623 0 40 FJAB Cc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 12578496 QEWKTYXHQCCEMO-GOSISDBHSA-N 361.470 4.812 0 40 FJAB CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12816595 ASRZEEMBAUSSBZ-UHFFFAOYSA-N 368.483 4.719 0 40 FJAB Cc1n[nH]c(C)c1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 12932996 LQLHGMITRZTVGW-UHFFFAOYSA-N 353.447 4.550 0 40 FJAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4ccccc4)n3)c2c1 13653635 IJIZLLBHBXVAHY-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CCCC2=C2CCC[C@@H]23)cc1Cl 18285180 LXWFZMOMVNLPLZ-CAMMJAKZSA-N 355.865 4.664 0 40 FJAB CC(=O)c1cccc(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19819516 IKQZFXOAZBJBIM-UHFFFAOYSA-N 370.499 4.954 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2cc(F)ccc2[nH]1 24834323 RLKUGQRAGVVRDT-UHFFFAOYSA-N 350.315 4.598 0 40 FJAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccccc1 31560522 BATDJYIYGYYDHD-DEOSSOPVSA-N 370.496 4.823 0 40 FJAB c1ccc([C@H]2COC(c3cccc(C4=N[C@@H](c5ccccc5)CO4)c3)=N2)cc1 34558531 OIHAUXMSWARTNJ-FGZHOGPDSA-N 368.436 4.723 0 40 FJAB CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1ccccc1 48253739 CKHCURSFWSRDIX-UHFFFAOYSA-N 367.503 4.738 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@H]1C[C@H]1c1ccccc1Cl 58393401 GMCRKKVWVXKPKP-IRXDYDNUSA-N 365.820 4.665 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1cccc(Cl)c1Cl 72068383 IBBOMVKDWREEBD-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB C[C@@H](OC(=O)[C@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1 89904631 FWGDKNXPLGEOIE-VGOFRKELSA-N 360.457 4.504 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(Cl)s1 96119832 WBTDIYANEMWMET-UHFFFAOYSA-N 367.904 4.686 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219301732 NGUYFWYRFFHWNU-HKUYNNGSSA-N 367.489 4.798 0 40 FJAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCC2 223185276 UTVHHDVBAXFUQC-LLVKDONJSA-N 370.301 4.522 0 40 FJAB Cc1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 223214726 RIOCYPOIONSAEZ-UHFFFAOYSA-N 352.659 4.901 0 40 FJAB O=C(COc1cccc2ccccc12)NCCOc1ccc2ccccc2c1 223614277 FKBQSGBUMRSRNL-UHFFFAOYSA-N 371.436 4.567 0 40 FJAB CCCCCNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224138661 LYIMWFPDSQGKDR-UHFFFAOYSA-N 361.869 4.848 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1F 225299871 LASTVMJBTVLPAC-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cc(C)ccc1C 225685263 BHPKEOUVXFIOHH-SFHVURJKSA-N 370.518 4.901 0 40 FJAB CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)c1 225712357 VXBIOUSRBSFFFJ-UHFFFAOYSA-N 351.446 4.622 0 40 FJAB Cn1cccc1CN(C(=O)c1ccc2nc(Cl)oc2c1)C1CCCCC1 225981132 DVWRVJUTOSHALM-UHFFFAOYSA-N 371.868 4.795 0 40 FJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)cc1 409001184 VFBZGHIIHMPIRM-WWNPGLIZSA-N 371.436 4.864 0 40 FJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc2ncsc2c1 585147696 JONQZBUPHNDDFA-ZDUSSCGKSA-N 354.456 4.513 0 40 FJAB Cc1cccc(OCc2nnc(SCC(C)C)n2-c2ccccc2)c1 649277 NRDBKYCDNITLIA-UHFFFAOYSA-N 353.491 4.903 0 40 FJAB Cc1ccc2nc(S[C@H](C)C(=O)NCc3ccccc3)c(C)cc2c1 915614 MJDOQHNNLLJVES-MRXNPFEDSA-N 350.487 4.649 0 40 FJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)C(C)(C)C 993107 XYEULBFHFVCHEH-UHFFFAOYSA-N 361.441 4.982 0 40 FJAB Cc1ccc(C)c2nc3sc(C(=O)N4CCC[C@@H](C)C4)c(N)c3cc12 1342973 UQQSXWIPAAZKHH-LLVKDONJSA-N 353.491 4.521 0 40 FJAB COc1ccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c1 2326572 SNBHATNXMZFICI-UHFFFAOYSA-N 372.472 4.579 0 40 FJAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 2736558 MSOXDFBZMKMBLZ-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)c1 3218086 LETLTDQXZCQKSP-UHFFFAOYSA-N 373.452 4.695 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)cc1 3469361 POUUUZRFDIQWEL-LLVKDONJSA-N 352.217 4.602 0 40 FJAB Fc1cc(Cl)ccc1CSc1nc2cc(Br)cnc2[nH]1 4144067 ZBIQFXCLFPRSLD-UHFFFAOYSA-N 372.650 4.805 0 40 FJAB O=C(NCc1ccco1)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 4690071 CLFLZUXCBJKIRL-UHFFFAOYSA-N 368.245 4.717 0 40 FJAB CC1(C)C[C@@H]([C@H](CCNC(=O)c2ccccc2)c2ccc(F)cc2)CCO1 5348774 BLNFIKNPESXSCN-PZJWPPBQSA-N 369.480 4.935 0 40 FJAB COc1cccc(OCc2nc3ccccc3n2CCOc2ccccc2)c1 6753117 XEYQZHVPLBTMJM-UHFFFAOYSA-N 374.440 4.703 0 40 FJAB Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1 7195797 DOMCRYRLYVTDJZ-NSHDSACASA-N 361.517 4.694 0 40 FJAB Cc1ccc2cc(COc3ccc4ccc(=O)oc4c3)c(Cl)nc2c1 9456313 KVROYHOVHBZOTJ-UHFFFAOYSA-N 351.789 4.882 0 40 FJAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1Cl 10213464 PCEKAFQAZNBNAK-BLVKFPJESA-N 373.861 4.573 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2ncsc2c1 10217245 SZCRSPGAAKWLBK-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccnn1Cc1cccs1 12322399 JLYKJVQFEHMUHM-RISCZKNCSA-N 370.305 4.523 0 40 FJAB Cc1cc(C)nc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 13285430 SETGFTZAOWZDBC-UHFFFAOYSA-N 353.249 4.803 0 40 FJAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc2cc(Cl)ccc2o1 13628800 PEIXNHAPPABUFZ-UHFFFAOYSA-N 356.784 4.679 0 40 FJAB C/C1=C/[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C\CC1 15254195 XUVXBQLHPFQADG-QQYSMUOFSA-N 358.478 4.627 0 40 FJAB Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)cc1 15358533 FJTYKDGFMKMQCM-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1OCC 15412571 ZCZCXPOFFMULFL-NTUHNPAUSA-N 355.434 4.535 0 40 FJAB CCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1OC 18827615 PSSNUEXOYBTVEO-UHFFFAOYSA-N 351.855 4.722 0 40 FJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c(OC)c1 19240234 UVSMMHZHVKDJLC-KRWDZBQOSA-N 374.531 4.604 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(F)ccc1F 22245627 WMYMCAHDPRAWEC-UHFFFAOYSA-N 359.401 4.750 0 40 FJAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2c(C)cccc2C)CC1=O 22364516 MJROUYDFQRXMBQ-MAUKXSAKSA-N 364.489 4.809 0 40 FJAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c(C)c2cc1Cl 28290691 RYOATIQEJYBRJR-SFHVURJKSA-N 370.880 4.736 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1 28574027 UADOMVMYJZHUMM-UHFFFAOYSA-N 355.825 4.565 0 40 FJAB COc1ccc(-c2nsc3c2N=C(O)C[C@@H]3c2ccc(OC)cc2)cc1 32073759 ZQNCCBNXYYQLQS-MRXNPFEDSA-N 366.442 4.951 0 40 FJAB C[C@H]1CCCC[C@H]1NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 35075099 ZHNJYJRWQXTHLL-TWOQFEAHSA-N 374.956 4.703 0 40 FJAB COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc1 35316446 PPFSZBVBZJGRKZ-OAHLLOKOSA-N 370.861 4.946 0 40 FJAB O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccc(F)cc2)nc1 40107071 GSRKOFMPYPGBTO-UHFFFAOYSA-N 370.405 4.676 0 40 FJAB c1ccc(O[C@H]2COCCN(Cc3ccc(-c4ccccc4)cc3)C2)cc1 77265826 WLUVZVKEQIMZIY-XMMPIXPASA-N 359.469 4.633 0 40 FJAB biogenic,in-vitro CCOC(=O)/C(=C/c1ccc(NC(C)=O)cc1)c1nc(C(C)C)c(C)s1 89978007 PSBRDTQTSLXFOE-GZTJUZNOSA-N 372.490 4.637 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 216431525 FCYONUJSBNBNOE-INIZCTEOSA-N 356.224 4.606 0 40 FJAB Cc1ccc(OCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 222690849 KXYYBZKIHTURKQ-UHFFFAOYSA-N 363.910 4.716 0 40 FJAB COc1ccccc1CCCNC(=O)CCc1c(Cl)cccc1Cl 225359112 LODQMQVGMJRQFG-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1OCC 225524626 DWDPJGXBCMDGSH-QGZVFWFLSA-N 369.505 4.856 0 40 FJAB CCOC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCC1 225707718 YKJFASYVFDCBFH-UHFFFAOYSA-N 353.462 4.862 0 40 FJAB COC1CN(c2ccc(NC(=O)c3ccc(-c4ccsc4)cc3)cc2)C1 240122391 VYDYSOVMYVRWNX-UHFFFAOYSA-N 364.470 4.502 0 40 FJAB O=C([C@H]1CCCc2ccccc21)N1CCOc2c1cccc2C(F)(F)F 1531059148 TVGHPAXIUIJFNC-HNNXBMFYSA-N 361.363 4.551 0 40 FJAB Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)c(C)o1 1615120545 LLENFOKHROHUQP-PMACEKPBSA-N 370.468 4.698 0 40 FJAB Cc1ccc(NC(=O)c2ccc(Br)cc2)c(Br)c1 799575 PSFJYSRUYZUJMM-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB O[C@H](c1ccc(Br)cc1)[C@H](CN1CCCCC1)c1ccccc1 1241347 QRMKWWYZRHOYBC-WOJBJXKFSA-N 374.322 4.752 0 40 FJAB Cc1ccc(-c2cc(N)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 1405077 PENQXADFKBLJEE-UHFFFAOYSA-N 350.422 4.693 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(F)cc1 1424124 KXPAUHFSRZOOCG-UHFFFAOYSA-N 369.417 4.983 0 40 FJAB CC(C)C(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 1447935 FFFFWZAJVYVDGA-UHFFFAOYSA-N 365.410 4.631 0 40 FJAB biogenic COc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1OC 1470681 AQWUVJWHKOTFLQ-UHFFFAOYSA-N 374.440 4.800 0 40 FJAB COc1ccc(-c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 2957570 FVKYGGVIIKOUHM-UHFFFAOYSA-N 365.410 4.601 0 40 FJAB CCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OCC 3449558 YRALSORVSGMMSJ-UHFFFAOYSA-N 355.768 4.668 0 40 FJAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1Cl 4380948 WULUBBNKRNKJKC-UHFFFAOYSA-N 373.909 4.912 0 40 FJAB CCCCNc1nc(N)nc(Nc2ccc(Cl)c(Cl)c2)c1N=O 4804381 KXOVNEGMXALYPA-UHFFFAOYSA-N 355.229 4.719 0 40 FJAB Cc1cc(C(=O)CSc2nnc(C)n2C2CCCCC2)c(C)n1C1CC1 4925505 DBAOMRJHXXBIMZ-UHFFFAOYSA-N 372.538 4.820 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1OC 5142133 SLVINDWNJXCQHR-PGRDOPGGSA-N 366.461 4.620 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 5697703 UQOLITDDNHHMNV-GQCTYLIASA-N 364.272 4.819 0 40 FJAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(OC(C)C)cc4)ccc1c23 6326015 IUJQDIVWOBOKQL-UHFFFAOYSA-N 374.440 4.859 0 40 FJAB Cc1ccc([C@H]2C[C@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 6550589 VJKRBHWNWSGRQL-IAGOWNOFSA-N 358.367 4.752 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC 6639473 NKRBBUDANDVFJV-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)cc1 6736495 FUZMXNPMWCMPKC-QFIPXVFZSA-N 356.425 4.687 0 40 FJAB CCOc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc(Cl)c1OC 7155785 PZTNBKURMNJPHS-AWNIVKPZSA-N 364.228 4.893 0 40 FJAB CC(C)(C)C(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 8719034 ISRLVPQIIKDHHZ-UHFFFAOYSA-N 353.285 4.547 0 40 FJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccccc1F 9107446 PFNWTOINLADPSO-UHFFFAOYSA-N 374.415 4.557 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@H]2CCCC[C@@H]21 12550379 ZQPVNSBBGSIPQP-UTKZUKDTSA-N 359.473 4.820 0 40 FJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cl)cc1Cl 12917899 UNDJDZUFYRXSGI-UHFFFAOYSA-N 374.271 4.510 0 40 FJAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 12986683 UQGPIZOSFYVFEM-MRXNPFEDSA-N 360.498 4.740 0 40 FJAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1cc(OC)ccc1OC 15582321 LMNKSXDWWHSMRQ-ZRDIBKRKSA-N 351.402 4.664 0 40 FJAB CCOc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 15839943 ISCABQVAISUWKA-FQEVSTJZSA-N 366.848 4.653 0 40 FJAB C/C1=C\[C@H](O)[C@@H](C(C)C)[C@@H](OCC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 17652227 HDAGALPNSCGMSL-JWPSFOPFSA-N 372.505 4.670 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)cc1 18132103 MKKJWJGHWSIISJ-QFIPXVFZSA-N 366.505 4.562 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)Sc2ccccc2)ccc1Br 20238494 ILABDUPHFUNTHK-GFCCVEGCSA-N 350.281 4.877 0 40 FJAB CCCCC[C@H](C)NC(=O)c1cccnc1SCc1c(C)noc1C 21203616 SFCUPZIXWKDCIJ-ZDUSSCGKSA-N 361.511 4.677 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1c(Cl)ccc2nsnc12 21595892 IYPYSCUZTKORBJ-UHFFFAOYSA-N 369.833 4.759 0 40 FJAB COc1ccc(C)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245342 ODGSSWKWWXCLEM-UHFFFAOYSA-N 367.474 4.789 0 40 FJAB COc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 22776726 JTPANBOUNKKHGC-LLVKDONJSA-N 370.276 4.870 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1csc(COc2ccc(F)cc2)n1 24865836 JOSLTXHYGAMVEV-UHFFFAOYSA-N 362.813 4.767 0 40 FJAB Clc1ccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)cc1 35312433 SEVNCJBPACMWFA-UHFFFAOYSA-N 369.921 4.786 0 40 FJAB CC[C@H](C(=O)N(C)Cc1ccc(Br)s1)c1ccccc1 45906192 JUKVANLACGGWCV-AWEZNQCLSA-N 352.297 4.663 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477527 MPGSLYGAQVNNJQ-FYWRMAATSA-N 360.413 4.947 0 40 FJAB Cc1ccc(F)cc1NC(=S)Nc1ccc(F)cc1Br 71761600 NBHVAEHGJAJNJW-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 83326700 QPEPMDUUYSZMDB-OWBHPGMISA-N 360.369 4.718 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1ccc(SC)cc1)C1=C(O)CCCC1=N2 102699232 YPEUQQCHLUAZQT-INIZCTEOSA-N 372.519 4.784 0 40 FJAB COc1ccc(CCC(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 211079782 NPBKOQHZKKJLBG-IBGZPJMESA-N 355.453 4.563 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C(F)(F)F)cc1 222622094 FJEMBMORBJUZSI-CYBMUJFWSA-N 363.379 4.990 0 40 FJAB O=C(NCCOc1ccc(F)cc1)/C(=C/c1ccccc1)c1ccccc1 223449240 VYXMPAYNEOWMOR-OQKWZONESA-N 361.416 4.562 0 40 FJAB O=C(COc1ccc2ccccc2c1Br)NCC1=CCCCC1 224255821 KBTHCSCFZJKPPG-UHFFFAOYSA-N 374.278 4.598 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224920838 SRILJBAQYWJTGE-KRWDZBQOSA-N 365.517 4.774 0 40 FJAB Cn1c(=O)sc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 225022862 BLQHHIFGPKCMAF-UHFFFAOYSA-N 360.438 4.519 0 40 FJAB COc1ccccc1CNC(=S)Nc1cccc(-c2csc(C)n2)c1 225180387 LCSCMTWBWWWXSD-UHFFFAOYSA-N 369.515 4.614 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225342073 BLHTZVINGNSOIS-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(C)c1 225685101 MHJBNCSYTCJHEQ-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB Fc1cccc(Cc2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)c1 257210602 BVIGFVIALWBCKR-QHCPKHFHSA-N 361.464 4.934 0 40 FJAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c(Cl)cc1OC 409013660 CIHYDCXRAGAYNJ-XBLUXWHVSA-N 369.870 4.582 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256476 IXDWUGBUYYDAFT-KBPBESRZSA-N 366.686 4.960 0 40 FJAB CC(=O)N1CC[C@H](Nc2cnn(-c3cc(C)ccc3C)c2C)c2ccccc21 621758658 GNWGFFGKOMFNPB-FQEVSTJZSA-N 374.488 4.707 0 40 FJAB Cc1ccc(C(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 949200 ITAKQPPOAJYVAG-UHFFFAOYSA-N 362.425 4.550 0 40 FJAB CCOc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C 997818 RMTLOUUUXBBYSO-UHFFFAOYSA-N 361.463 4.581 0 40 FJAB Cc1cccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc12 1342857 SHEIJKBDSFBYIO-UHFFFAOYSA-N 359.454 4.543 0 40 FJAB aggregator c1ccc2c(NC3C4CC5CC(C4)CC3C5)nc(N3CCCCC3)nc2c1 1460607 CXUXQUJQOHVIOE-UHFFFAOYSA-N 362.521 4.857 0 40 FJAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(F)c(F)c1 1510655 VCKCGPHVRONDFR-UHFFFAOYSA-N 369.190 4.589 0 40 FJAB COc1ccccc1COc1ccc2c3c(c(=O)oc2c1)CCCCC3 2439040 QWCQZRQTEPRECN-UHFFFAOYSA-N 350.414 4.650 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 2627584 SGCIYZGHKWURCH-QGZVFWFLSA-N 358.441 4.738 0 40 FJAB O=C(Cc1ccsc1)Nc1nc2ccc(SC(F)F)cc2s1 3262535 DZQBXAJXTNAMKS-UHFFFAOYSA-N 356.444 4.854 0 40 FJAB O=c1cc(CNc2ccc(Br)cc2)c2cc3c(cc2o1)CCC3 3375643 BQSUMLHRSKUYGF-UHFFFAOYSA-N 370.246 4.656 0 40 FJAB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3)C[C@H]21 4176586 FODLTBILZCIWTG-NFBKMPQASA-N 371.440 4.723 0 40 FJAB CSc1cccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 4316183 OYKHZWWLAVWPHI-UHFFFAOYSA-N 372.881 4.512 0 40 FJAB O=C(COc1ccc(Br)cc1Cl)c1c[nH]c2ccccc12 4846897 ACTZGRRYQPZBRM-UHFFFAOYSA-N 364.626 4.846 0 40 FJAB Cc1nc(SCC(=O)Nc2cccc(C)c2C)c2c(C)c(C)sc2n1 5429130 AMUHJELWKVDXSP-UHFFFAOYSA-N 371.531 4.964 0 40 FJAB COc1cccc(NC(=S)N[C@@H](Cc2ccccc2)c2ccccc2)c1 5550364 BXOKUIZEEVRUOA-NRFANRHFSA-N 362.498 4.966 0 40 FJAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 6396872 GSDJXNDCAZFOHQ-UHFFFAOYSA-N 374.868 4.795 0 40 FJAB COc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504069 UDZRQPWVTMHZIK-FQEVSTJZSA-N 357.413 4.947 0 40 FJAB O=C(CCSCc1ccccc1)Nc1ccc(Br)cc1F 7685909 HOFPTSGDRJZGSR-UHFFFAOYSA-N 368.271 4.850 0 40 FJAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 8003751 VZUXACYVTQLCCK-GOSISDBHSA-N 368.374 4.770 0 40 FJAB O=C(Nc1ccccc1F)c1ccccc1OCCOc1ccccc1 8158228 MASYRUIDKDVXKH-UHFFFAOYSA-N 351.377 4.536 0 40 FJAB Cc1c(Cl)c(CSc2nnnn2C2CCCC2)nc2ccccc12 8231271 JQDYASSKATYRBK-UHFFFAOYSA-N 359.886 4.591 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1C 8742704 FAFTVQOIFMRWGF-UHFFFAOYSA-N 352.463 4.584 0 40 FJAB COc1ccc(C)cc1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 9314800 PJOLSYWHXPFMHF-LBPRGKRZSA-N 367.276 4.600 0 40 FJAB OCCn1c(CSCc2ccccc2Cl)nc2ccc(Cl)cc21 9596399 LLJMTRBTYUHEMB-UHFFFAOYSA-N 367.301 4.769 0 40 FJAB Cc1cc(NC(=O)CC2CCCC2)n(-c2nc(-c3ccccc3)cs2)n1 12441690 FPGIEERTFOXEKY-UHFFFAOYSA-N 366.490 4.823 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(Cl)cc1 12747308 WLPJPDIXZBQBNU-NSHDSACASA-N 362.907 4.945 0 40 FJAB C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12992687 YETOIUREXXRDSP-DLBZAZTESA-N 364.464 4.677 0 40 FJAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 14609384 BMLFQJXTALWQMV-UHFFFAOYSA-N 368.440 4.749 0 40 FJAB COc1cc(CNCCc2ccccc2F)ccc1OCc1cccs1 22076381 RGJFJFSGPPKMMT-UHFFFAOYSA-N 371.477 4.807 0 40 FJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 27377044 FXDUZAZLXRHXDO-UHFFFAOYSA-N 365.260 4.632 0 40 FJAB Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)n(Cc2ccccc2)n1 28220104 DKCKUSHYVBIXRR-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB CCOc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)cc1 40095579 CQDVQTAHTBZTBL-UHFFFAOYSA-N 363.255 4.512 0 40 FJAB Cc1nc(CSCCC(=O)N2CCC[C@@H]2c2ccsc2)cs1 46915196 JPRVERSFPWVFSH-OAHLLOKOSA-N 352.550 4.500 0 40 FJAB CC(C)OCc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1 49151186 IFHLHWAYKVRVMG-UHFFFAOYSA-N 352.261 4.848 0 40 FJAB O=C(NCc1nc2ccccc2s1)Nc1ccccc1N1CCCCC1 57848400 RNADKZFZUXAFJH-UHFFFAOYSA-N 366.490 4.608 0 40 FJAB O=C(CSCc1cccc2ccccc12)Nc1nc2c(s1)CCC2 58485540 MMRFDTDJQSUGMW-UHFFFAOYSA-N 354.500 4.657 0 40 FJAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCc2ccc(Cl)cc21 58931691 FMVFSERXCXKGPS-UHFFFAOYSA-N 367.811 4.821 0 40 FJAB O=C(O)c1cc(/C=C/c2csc(-c3ccco3)n2)nc2cc(F)ccc12 63428528 GWFNNGBRQPIEHC-SNAWJCMRSA-N 366.373 4.959 0 40 FJAB CC(C)(C)c1ccc(Oc2nc3ccccc3nc2N2CCOCC2)cc1 64438537 KHUHRPADQHKFQP-UHFFFAOYSA-N 363.461 4.556 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2)nc1 67296521 UUOMAYFCNHRPDY-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB Cn1ccc2cc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)ccc21 70666424 OCGBQDMAIHVOTA-UHFFFAOYSA-N 363.848 4.512 0 40 FJAB biogenic O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccccc1Cl 84502311 MIVRLQWROYZAHE-FQEVSTJZSA-N 355.865 4.571 0 40 FJAB Cc1ccccc1-c1nc(C)c(CNC(=O)[C@H](C)Oc2ccccc2)s1 96342828 YOYWGLDCAGRUSU-INIZCTEOSA-N 366.486 4.511 0 40 FJAB FC(F)(F)c1cccc(N2CCN(c3ccc4ccccc4n3)CC2)c1 102237117 ZIERACIZFMJSQF-UHFFFAOYSA-N 357.379 4.580 0 40 FJAB CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(OC)cc1 216230774 XATTYMBGGBIOBL-LJQANCHMSA-N 361.869 4.775 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccc(Cl)cc2)cc1 223660600 NYZBCYZGFMDCRI-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCCc1cccc2ccccc12 225041003 SFYXQICFVYLYBC-UHFFFAOYSA-N 353.849 4.864 0 40 FJAB CCOc1cccc(NC(=S)NCCCSC2CCCCC2)c1 225591182 QIPAEHGTXAMPJF-UHFFFAOYSA-N 352.569 4.828 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225641622 UYXSHYJCVDHQFU-ZDUSSCGKSA-N 368.424 4.768 0 40 FJAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(F)(F)F 225806069 XJQIBHICLXUAQS-UHFFFAOYSA-N 359.388 4.782 0 40 FJAB COc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225808239 BUZVYSLDZJCTAZ-UHFFFAOYSA-N 350.487 4.768 0 40 FJAB CCCCN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 409072681 RSKGSSMUKPWPHG-PDGQHHTCSA-N 371.458 4.693 0 40 FJAB Cc1cc(NC(=O)NCC2(C)CCC(C)CC2)nn1-c1cccc(F)c1 1660217895 LJOSJPDVMNUETO-UHFFFAOYSA-N 358.461 4.658 0 40 FJAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1 756782 RBWYOVDJRPOJFF-UHFFFAOYSA-N 354.457 4.996 0 40 FJAB O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2s1 856355 IIJGVZAEJAKKJO-UHFFFAOYSA-N 358.216 4.832 0 40 FJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 862992 NICWLADWSMAMNK-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(Cl)cc1)C3 2112673 YOWRPILCEVJHMZ-UHFFFAOYSA-N 355.821 4.728 0 40 FJAB biogenic O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc(Cl)s1 3228615 QHTIXFGKLCWFOX-UHFFFAOYSA-N 366.841 4.779 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)c1ccc(F)cc1 3343791 OJCWMITYLUAACY-XBXARRHUSA-N 353.176 4.572 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)s1 3410687 VRSPZDJPIQVVGA-UHFFFAOYSA-N 366.158 4.662 0 40 FJAB c1ccc(-c2nnc(-c3ccc4c(c3)OCO4)nc2-c2ccccc2)cc1 3419291 FOVHEFCDILHZIT-UHFFFAOYSA-N 353.381 4.601 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc4ccccc24)N3)C1 4556144 SKXFROFUGNUYEG-LJQANCHMSA-N 363.486 4.708 0 40 FJAB CCN(CC)CCCNc1ncnc2c1[C@H](c1ccccc1)c1ccccc1-2 5561567 JMYXGRPOCSHCQW-OAQYLSRUSA-N 372.516 4.781 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(Br)c1 5617003 ABOXLAJHVCCACT-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)cc1 5704871 MLHIQIDVVSRCDP-UHFFFAOYSA-N 350.780 4.845 0 40 FJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 6216423 MJVCGSUIVFVHHL-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OC(F)F 6650946 MPIGDMBAHSPRTC-UHFFFAOYSA-N 371.855 4.864 0 40 FJAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10503791 JOAREQMNLHXWTO-KRWDZBQOSA-N 361.489 4.880 0 40 FJAB O=C(c1ccco1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 12119682 OLVJSUJLNKADJQ-KRWDZBQOSA-N 354.381 4.831 0 40 FJAB CCc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)cc1 12395328 HAKXIKAFSZSXTP-UHFFFAOYSA-N 371.387 4.560 0 40 FJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1Cl)O[C@@H](C)C2 12536568 HHMJKUAQFQSGDH-QWHCGFSZSA-N 374.868 4.501 0 40 FJAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 13612941 WRBQOOVTABSPCH-KRWDZBQOSA-N 359.897 4.782 0 40 FJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C)cc2C)o1 15881378 DUUGMEASJBUJJK-UHFFFAOYSA-N 374.444 4.509 0 40 FJAB Cc1cccc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)n1 19236223 BSHKLQNUVVOLCE-AWEZNQCLSA-N 372.419 4.552 0 40 FJAB COc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19358986 ZACALRGLMFHCPU-UHFFFAOYSA-N 372.512 4.602 0 40 FJAB Cc1cc(COc2cc(OCc3cc(C)no3)c(Cl)cc2Cl)on1 24422681 AAZOVKVGACFCNK-UHFFFAOYSA-N 369.204 4.744 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccsc1 25330596 GEXAWVDCIDANSE-MRXNPFEDSA-N 374.506 4.648 0 40 FJAB CCOc1cccc(C(=O)N(Cc2ccc(CC)cc2)c2ccccn2)c1 27662646 GLDGUWPBMJTLSC-UHFFFAOYSA-N 360.457 4.890 0 40 FJAB Cc1ccccc1Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C 31903559 NRMGZVFQQANTNP-UHFFFAOYSA-N 369.468 4.883 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)Nc3c(F)cccc3F)nc12 38488583 NHXUIZFMJZTHQP-UHFFFAOYSA-N 369.780 4.881 0 40 FJAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 39514630 OHJFBZZCEJZZJU-UHFFFAOYSA-N 371.893 4.902 0 40 FJAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 40112102 YNCPOUBFBKRNRT-ZDUSSCGKSA-N 371.893 4.549 0 40 FJAB Cn1ccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 52528168 VMGRZAFQHATPMH-IBGZPJMESA-N 371.893 4.535 0 40 FJAB CC(C)c1nc(CCNC(=O)Nc2ccccc2OC(F)(F)F)cs1 58378356 NGFOEBSMBAVAPW-UHFFFAOYSA-N 373.400 4.529 0 40 FJAB CC(C)CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215326 SOYGEFNYRVQWTR-SFHVURJKSA-N 359.514 4.778 0 40 FJAB CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215443 LMECLZAKCFBOCZ-GOSISDBHSA-N 359.514 4.923 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cccc(Br)c1 89212741 CRQSYKAYDAEWFW-HNNXBMFYSA-N 369.303 4.651 0 40 FJAB C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@H]1C[C@@H]2CC[C@@H]1C2 102846319 HXFYSWZNANTAMI-NRTGNBEESA-N 357.425 4.552 0 40 FJAB O=C(c1c[nH]c2ccccc12)N1CCS[C@@H](c2ccccc2F)CC1 219105676 NZBSLGZYUMKURL-LJQANCHMSA-N 354.450 4.627 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 219513991 ITZNSEPGAQWRFD-LJQANCHMSA-N 369.505 4.607 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1C 219524023 IWHTZXRGZACYFQ-LJQANCHMSA-N 353.506 4.943 0 40 FJAB CCCCOCc1cc(C(=O)Nc2ccccc2OC)ccc1OCC 224727909 OEJLHWKOOLIZOY-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB Cc1ccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)c1 224981082 JCCMCIWATYJSJJ-UHFFFAOYSA-N 359.469 4.708 0 40 FJAB O=C(Cc1ccccc1F)NCCSCc1c(Cl)cccc1Cl 225445202 WSEUJQVPNWBWNN-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB Cc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 225469293 ZFFJGWYAKTVVEO-UHFFFAOYSA-N 363.461 4.581 0 40 FJAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226326944 AOAGZICOOJMDMW-UHFFFAOYSA-N 374.651 4.723 0 40 FJAB O=C(O)c1cccc(NCc2ccccc2OCc2ccccc2F)c1 408612594 SVWPARUDGYXPAB-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 409189363 KBKMWJDTONUCJM-AYOQOUSVSA-N 357.837 4.761 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cccc2ccccc12)[C@H]1CC12CCOCC2 530657447 JOEJNBXKJQUDPJ-DHIUTWEWSA-N 371.480 4.862 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cnn(-c3ccccc3Cl)c1C)CC2 601662384 KYJFNBHRBCHWSS-IBGZPJMESA-N 365.864 4.560 0 40 FJAB CSCC[C@@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1cccc1 1565534647 SDGDMOYLGZEYEV-VJRVKHOTSA-N 360.567 4.503 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 682911 HOGBWHFDNVADCT-UHFFFAOYSA-N 361.397 4.908 0 40 FJAB Cc1cccc(NC(=O)COC(=O)/C=C/c2cccc3ccccc23)c1C 957197 YDJKGAHHLRJLGG-BUHFOSPRSA-N 359.425 4.652 0 40 FJAB Cc1ccccc1C(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 1362827 XTXWKOPVYDBQQN-UHFFFAOYSA-N 371.484 4.574 0 40 FJAB COC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1438824 HKIFYLZRMKEKSL-NRFANRHFSA-N 359.425 4.899 0 40 FJAB CC(=O)c1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2211878 NDSKLZTXOYNTKP-UHFFFAOYSA-N 370.437 4.900 0 40 FJAB CC(C)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 3262322 JWTAGTBMQJUDOS-UHFFFAOYSA-N 358.894 4.998 0 40 FJAB COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC 4098925 JLJAVUZBHSLLJL-HCIHMXRSSA-N 372.461 4.806 0 40 FJAB biogenic,in-vitro Cc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1Cl 4186877 YMONXMVRCJBRIA-UHFFFAOYSA-N 372.940 4.513 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](C1CCCCC1)NC2 4622217 DATWQWIQCMIEAA-JOCHJYFZSA-N 354.494 4.999 0 40 FJAB COc1ccc2c(c1)CC[C@@H](C)N2C(=O)c1cc(F)c(F)cc1Cl 4727574 SZHQSKJFMPTKNX-SNVBAGLBSA-N 351.780 4.608 0 40 FJAB Cc1ccc([C@]2(CC(=O)Nc3nccs3)CCO[C@@H](C(C)C)C2)cc1 5024601 LOSKEZFNDKIJNC-YLJYHZDGSA-N 358.507 4.553 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1 5403265 ZIKZOAPCGCCUIW-UHFFFAOYSA-N 350.443 4.934 0 40 FJAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1 5628999 YLFRKMBKAQBWPI-SNVBAGLBSA-N 366.364 4.966 0 40 FJAB O=C(Nc1ncccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5685523 KJXAIDZGZHGQKE-UHFFFAOYSA-N 366.833 4.659 0 40 FJAB COc1cc(OC)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 6126753 AOPQDXIDDIVJLC-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB COc1ccc(-c2nc(CN(C)Cc3cccs3)cs2)cc1OC 6940201 LMOASTSWUUOVND-UHFFFAOYSA-N 360.504 4.521 0 40 FJAB c1ccc2sc([C@@H]3CCCN(c4ncnc5sccc45)C3)nc2c1 7979823 UDYRXISSYZLIDK-GFCCVEGCSA-N 352.488 4.685 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1c(Cl)cccc1Cl 8050242 UQPUPKKWCRWBRG-ZDUSSCGKSA-N 354.233 4.798 0 40 FJAB Cc1sc2nc(-c3cccs3)nc(Sc3ncccn3)c2c1C 8313992 YPGCFLCQBOYCFA-UHFFFAOYSA-N 356.501 4.978 0 40 FJAB Clc1cc(Br)ccc1OCc1nnc(-c2cccs2)o1 11399658 KOXNTENFOBXDPR-UHFFFAOYSA-N 371.643 4.793 0 40 FJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12578384 NNGWOQSMXMWAQJ-INIZCTEOSA-N 359.351 4.559 0 40 FJAB O=C(c1ccc(Cl)nc1)N(CCc1ccccc1)Cc1cccs1 12598819 DETNWGLWUHSMHW-UHFFFAOYSA-N 356.878 4.682 0 40 FJAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC(C)(C)C 12611801 JGPGWHJYQWBSNT-GFCCVEGCSA-N 371.531 4.754 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)NCc3ccc(F)c(C)c3)o2)cc1 12986106 WWDNYOKRCHLGEG-UHFFFAOYSA-N 367.420 4.652 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 12995908 BUGRZZJGLIDMEW-UHFFFAOYSA-N 371.368 4.790 0 40 FJAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)n2)c1 13036980 CTJJYNACPCDWQN-SFHVURJKSA-N 361.445 4.689 0 40 FJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)(C)C)cc1 13769502 RPVHLESBJZJXOJ-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB Fc1cc(Br)ccc1NC(=S)NCc1ccc(Cl)cc1 13788518 PXZKKWMVARJLLW-UHFFFAOYSA-N 373.678 4.728 0 40 FJAB CCCn1c(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)nc2ccccc21 14093005 SOSADFYHCBINLV-HOCLYGCPSA-N 351.450 4.734 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C1=O 18243900 TXLNPMJVWKULQQ-HBMCJLEFSA-N 361.485 4.885 0 40 FJAB Cc1nc(-c2cccs2)c(CCC(=O)NCc2ccc(F)cc2)s1 19819630 DTEBCNYCFOPUFA-UHFFFAOYSA-N 360.479 4.568 0 40 FJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc(Cl)ccc1Cl 20138421 YRRLJUONWYZUQG-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(OC(C)C)c1 20141616 MMPSDYDGYLBPFA-UHFFFAOYSA-N 365.429 4.787 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1OC 20459477 QHFHGKMXJGPQKO-JTQLQIEISA-N 369.845 4.616 0 40 FJAB CN(C(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 20461725 NLULTKZQAQCMDT-UHFFFAOYSA-N 356.469 4.916 0 40 FJAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C(F)(F)F)NCC2 20494589 ZDZHGASVMDLROP-IBGZPJMESA-N 365.395 4.738 0 40 FJAB COc1ccc(-n2nc(Nc3ccccc3F)c3c2C[C@H](C)CC3=O)cc1 20796875 XZZGRRMLMPSNAM-ZDUSSCGKSA-N 365.408 4.529 0 40 FJAB COc1ccc(-c2csc(Nc3ccc(OC)c(OC)c3)n2)c(OC)c1 25048438 HNZMOIMFIICESH-UHFFFAOYSA-N 372.446 4.588 0 40 FJAB O=C(COc1cccc2ccccc12)N(Cc1ccc2[nH]ccc2c1)C1CC1 32102825 ZVKIIRLJPGCETA-UHFFFAOYSA-N 370.452 4.891 0 40 FJAB COc1cccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 38756429 CGGZXHOTJYCHLS-SNVBAGLBSA-N 373.758 4.773 0 40 FJAB Nc1ccc2oc(-c3cc(Br)ccc3Br)nc2c1 40542347 YUEJJWDLYNCYKO-UHFFFAOYSA-N 368.028 4.602 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44933364 SDFFYIOXHPJVSZ-PXNSSMCTSA-N 370.924 4.738 0 40 FJAB Cc1ccc(-c2csc(NC(=O)C3(c4ccc(F)cc4)CC3)n2)s1 70037460 TUUIVDQTZAKRRQ-UHFFFAOYSA-N 358.463 4.989 0 40 FJAB CC(C)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C(C)C 72213023 MIOCTVJWVAVRFG-FQEVSTJZSA-N 351.494 4.682 0 40 FJAB Clc1ccccc1CN1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375115 GHVJMTDZBJFFLZ-GOSISDBHSA-N 365.868 4.606 0 40 FJAB CCNc1nnc(Sc2ncnc3scc(-c4ccccc4)c23)s1 84791147 RLBLOHBHTRHROA-UHFFFAOYSA-N 371.516 4.793 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1 95451639 XBBIKUXGCBMANN-OAQYLSRUSA-N 350.462 4.804 0 40 FJAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c(OC)c1 102735294 ZFFMHFCHVLEAAG-SFHVURJKSA-N 368.433 4.850 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC[C@@H]32)C1 118913933 KXWWWRVUYQUXMN-JGZQYDTDSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 206588464 GSVOZLMGXZDHOR-YBEGLDIGSA-N 365.772 4.791 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219580956 IAMVTAMWLHURMY-ROUUACIJSA-N 371.452 4.710 0 40 FJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)ccc1F 224888378 OQGSLJCGBGQLPA-ROUUACIJSA-N 369.490 4.768 0 40 FJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(F)c(F)c1 225625563 NJWFQTPEIUAMKZ-UHFFFAOYSA-N 364.461 4.673 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)CSCc1c(F)cccc1Cl 408565526 LGOGUAAGIPKKDI-CQSZACIVSA-N 365.901 4.850 0 40 FJAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 408620498 GOEFIAIZRKPLEA-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)Cc2csc3ccccc23)cc1 575619926 GYJKQTSLRADMNV-OAHLLOKOSA-N 353.487 4.590 0 40 FJAB CCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1 929084 OJBZHHZILBMUQJ-UHFFFAOYSA-N 356.422 4.625 0 40 FJAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 1467505 PZWSSCPORUEWEZ-UHFFFAOYSA-N 359.433 4.575 0 40 FJAB CCN(CC)C(=O)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2043274 WYSUJOBINDMPEI-HSZRJFAPSA-N 373.496 4.575 0 40 FJAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccs1 2474942 VGLMJGSXEPEFBC-UHFFFAOYSA-N 361.879 4.586 0 40 FJAB CCC(=O)c1ccc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 2619234 WEHMRBWSMNJHSV-UHFFFAOYSA-N 367.445 4.526 0 40 FJAB Cc1csc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)n1 3341561 PNGIXUPCLLZUQV-UHFFFAOYSA-N 361.879 4.903 0 40 FJAB COc1ccccc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 7671957 WCDWGRZMWUVBRI-UHFFFAOYSA-N 368.483 4.552 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(CN2CCCC2)cc1 9057914 KQFYIRWPRQZVJC-UHFFFAOYSA-N 363.288 4.770 0 40 FJAB Cc1cc(C)cc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 9064068 PMXRLDMJJXNXEA-UHFFFAOYSA-N 356.535 4.723 0 40 FJAB Cc1ccc([C@H](NCc2nc(-c3cccs3)no2)c2ccccc2)cc1 9516437 FQGLPSXMXMWFCT-HXUWFJFHSA-N 361.470 4.986 0 40 FJAB Cc1ccc(-n2cc(CN(C)Cc3ccon3)c(-c3cccc(C)c3)n2)cc1 12597288 KABUATSWMHALOZ-UHFFFAOYSA-N 372.472 4.776 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 12757583 YOBOVCSKQRMAQK-UHFFFAOYSA-N 370.449 4.659 0 40 FJAB O=C(CSCc1csc(-c2ccco2)n1)Nc1ccc(Cl)cc1 12976834 OHJCAAMTRJVCHD-UHFFFAOYSA-N 364.879 4.928 0 40 FJAB Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 12995727 XIUBYITYFNYXQB-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB COc1ccc2[nH]c(=O)c(CNc3cc(C(C)C)c(OC)cc3C)cc2c1 13561334 WESLPQYYNUVLQE-UHFFFAOYSA-N 366.461 4.589 0 40 FJAB Cc1ccc(-c2nc(CNC(=O)Cc3ccc(Cl)cc3)cs2)cc1 15832601 CRVVSRYVEFHPJP-UHFFFAOYSA-N 356.878 4.631 0 40 FJAB CCc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1 16742357 SEJNATUFKJGABM-UHFFFAOYSA-N 366.515 4.967 0 40 FJAB COc1ccccc1CN[C@@H](Cc1cccs1)c1nc(C)c(C)s1 19559652 DNNGXCBCELSZIY-KRWDZBQOSA-N 358.532 4.904 0 40 FJAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCc4ccccc43)nc2C1 20102019 LRGRBBCQUHEZJH-GOSISDBHSA-N 369.468 4.700 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC 20110538 VTZDJXNLVHCCCA-HOTGVXAUSA-N 373.518 4.679 0 40 FJAB Cc1cccc(N2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)c1 27383965 CKHVAVZSWIQDAO-UHFFFAOYSA-N 365.908 4.827 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCCCCC2)cc1 27584305 IPHKJQRZUSNPJZ-JOCHJYFZSA-N 350.506 4.651 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(-c2ccccc2)s1 28282294 FPITWSPFGZPITC-UHFFFAOYSA-N 367.474 4.520 0 40 FJAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)C2CCCCC2)C3)cc1 35290319 KCBCXSLTVXTFQT-FRIKZZABSA-N 354.538 4.577 0 40 FJAB COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 35325458 IWDQZPRHDLRVSL-HNNXBMFYSA-N 370.861 4.946 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccc(F)c(Cl)c1 36357416 OJGQICKMOSUHJC-ZDUSSCGKSA-N 371.799 4.797 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccccc1C(F)(F)F 36709326 BPBDSRWDGZPTLF-UHFFFAOYSA-N 364.352 4.868 0 40 FJAB CC1(C)CC(N(Cc2ccccn2)Cc2ccccc2F)CC(C)(C)N1 36740472 MOJQQOJLFOVBAB-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB Fc1ccc(-c2nnc(Sc3nnc4ccccn34)c3ccccc23)cc1 40160643 UROYCHDXZOVBFD-UHFFFAOYSA-N 373.416 4.630 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nc3cc(Cl)ccc3n2C)c(C)c1 48340149 RRMCOCDTASVQOS-UHFFFAOYSA-N 373.909 4.883 0 40 FJAB COC(=O)Nc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 52428397 OQGHYPAJYZNJPR-UHFFFAOYSA-N 371.400 4.614 0 40 FJAB CCc1ccsc1C(=O)NCCOc1ccccc1-c1ccccc1 60109253 JZWMTEZJSVSNAX-UHFFFAOYSA-N 351.471 4.786 0 40 FJAB CCC(CC)(NCc1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 76017842 RYGYBRHDVHLIGE-UHFFFAOYSA-N 354.885 4.726 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2c(F)cc(F)cc2Cl)cc1 95452201 OJAJPCNQHMNMPE-UHFFFAOYSA-N 367.779 4.619 0 40 FJAB O=C(N/C(=C/c1nc2ccccc2s1)c1ccccc1O)c1ccccc1 104273420 HOUWCLPXESSQCE-NBVRZTHBSA-N 372.449 4.930 0 40 FJAB CC(=O)c1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 169796921 DSKOECBSLXUUQR-UHFFFAOYSA-N 351.040 4.569 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Nc1ccc(Cl)cc1 222636783 XNNAQEJYTAEELJ-INIZCTEOSA-N 360.841 4.773 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C)cc2C)cc1 222828114 XIHZFBMVDFBMQN-FQEVSTJZSA-N 355.478 4.594 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCCSc2ccc(C)cc2)cc1 222874755 YRXJFDKLGGIYLS-HXUWFJFHSA-N 357.519 4.623 0 40 FJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223369767 DTFMBMRNLRRNLZ-MSOLQXFVSA-N 365.527 4.624 0 40 FJAB Cc1ccc(SCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223666657 QCAKNETWXFFZRN-UHFFFAOYSA-N 357.519 4.580 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccccc1C(C)(C)C 223667822 GIUCDSIDACHBBC-INIZCTEOSA-N 357.519 4.660 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 224234496 GMSXBPJUESHRMQ-IBGZPJMESA-N 367.489 4.916 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224935696 CYULQAPEESOPLS-NRFANRHFSA-N 352.478 4.700 0 40 FJAB CCOC(=O)c1cc(NC(=S)NC2CCCCCCC2)ccc1Cl 225517936 ZPMRBFIBEKMAKS-UHFFFAOYSA-N 368.930 4.916 0 40 FJAB C[C@H](NC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1)c1ccccc1 260692633 MHCLYIVERFPWKK-CVEARBPZSA-N 354.523 4.508 0 40 FJAB CC(=O)N1CCCCCCN(C(=O)c2cccc(C)c2)Cc2ccccc21 643588945 NPVLMKLKUIZDSM-UHFFFAOYSA-N 364.489 4.564 0 40 FJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(F)c4)c(N)c3cc2C1 661923 LHGDXCUEBWDEAR-LLVKDONJSA-N 369.465 4.785 0 40 FJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(OC)cc1 949025 OCLPSIFNTXGOEY-UHFFFAOYSA-N 366.417 4.562 0 40 FJAB C[C@H]1CC(C)(C)C[C@@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 1324062 AGFKTPQPFURZHG-SGTLLEGYSA-N 353.384 4.801 0 40 FJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1F)CCC3 1339921 KQBAAGPHBZYUMG-UHFFFAOYSA-N 366.461 4.902 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1 2394439 MMIYCLVXXIOXHA-OLZOCXBDSA-N 355.504 4.740 0 40 FJAB O=C(Cc1ccccc1F)OCCCCCOc1ccc(Cl)cc1 2565097 PJKWVHSBFPTRNA-UHFFFAOYSA-N 350.817 4.814 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1OC 2649588 YMLOVQPHPYBVDY-UHFFFAOYSA-N 357.262 4.820 0 40 FJAB CCOC(=O)c1ccc(Nc2nc(C)nc3sc4c(c23)CCCC4)cc1 3255214 AAIIIPRDIKWPKJ-UHFFFAOYSA-N 367.474 4.799 0 40 FJAB CCOC(=O)c1ccccc1Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 3353913 XZSFISDIPAGOPK-GFCCVEGCSA-N 367.474 4.736 0 40 FJAB Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1Br 3608426 SUXSRUNTUIGRSJ-UHFFFAOYSA-N 357.251 4.810 0 40 FJAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1 4044429 WKSLITSQKVNEJV-ITQVQSSISA-N 352.474 4.538 0 40 FJAB biogenic Cc1csc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)n1 4169264 GNBQTOGREDNEJZ-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 4385039 MMUTWOJXYANTEF-CQSZACIVSA-N 353.853 4.620 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c(C)c1 5060103 UYWAQGHNJDHIGC-VFNWGFHPSA-N 367.518 4.638 0 40 FJAB COc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccccc3)C2)cc1 5603569 GYMCXCBQKXCICX-JOCHJYFZSA-N 374.415 4.826 0 40 FJAB Cc1ccc(Nc2nc(COC(=O)c3cccnc3Cl)cs2)cc1 5711476 MYHRBQUWUNZVNB-UHFFFAOYSA-N 359.838 4.601 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)c1 5748265 JZWDLURPQCXLNQ-SNVBAGLBSA-N 354.233 4.502 0 40 FJAB CCCn1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 6560683 WCXXMJOHTBXDFC-UHFFFAOYSA-N 362.857 4.891 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 6963395 SACZYUWMNPKYIG-UHFFFAOYSA-N 351.402 4.818 0 40 FJAB Cc1sc(-n2cccc2)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1C 7783240 XJOJHOZNJNDPBH-UHFFFAOYSA-N 368.458 4.569 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H]3C[C@]2(C)Oc2c(Cl)cccc23)c1 8023737 PJRBAVHSBAOYNV-LPHOPBHVSA-N 358.894 4.891 0 40 FJAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093728 PBTYRFGIAIVREX-CQSZACIVSA-N 368.527 4.866 0 40 FJAB CC(C)c1ccc(CCC(=O)NCCSCc2ccccc2F)cc1 10281896 BNMYGDORMQDSTM-UHFFFAOYSA-N 359.510 4.931 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503821 SOUMZXJPWKLZLB-GFCCVEGCSA-N 374.271 4.890 0 40 FJAB Cc1ccccc1-n1cnnc1SCc1cc(-c2cccs2)on1 12533884 DCKBILSACISWKA-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 12544015 VOIORSTZVJYATC-QGZVFWFLSA-N 372.447 4.924 0 40 FJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 12575079 GYKROQWGSBMGEA-RBBKRZOGSA-N 362.517 4.741 0 40 FJAB Cc1ccc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2n1 13946243 GNUXJBPBHXNUER-UHFFFAOYSA-N 361.228 4.868 0 40 FJAB Cc1ccc(CSCCNC(=O)CSCc2ccc(C)cc2)cc1 20237720 HOABAOTYDQKJIM-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)c2cccnc12 24472417 RJOYXSPSLMJZFV-UHFFFAOYSA-N 369.424 4.770 0 40 FJAB CC(C)c1nc2cc(NC(=O)CC3(CC(=O)O)CCCCC3)ccc2o1 27057979 HEFJEFPHONBCLH-UHFFFAOYSA-N 358.438 4.705 0 40 FJAB C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccc2c(c1)OCO2 29624245 DSLJVFJHVMWMOP-CQSZACIVSA-N 370.412 4.594 0 40 FJAB CSCc1c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)oc2ccccc12 32738328 DXNGIEAOJBFQOX-LBPRGKRZSA-N 365.458 4.663 0 40 FJAB O=C(c1cccc(OCc2cscn2)c1)N1CCCCc2ccccc21 40133920 RGSOSCHWXMHFBA-UHFFFAOYSA-N 364.470 4.705 0 40 FJAB O=c1cc(CN2CC=C(c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 57315417 MZQNESOAEPDEEC-UHFFFAOYSA-N 357.453 4.571 0 40 FJAB c1ccc(-n2cc(CN(Cc3cccnc3)Cc3cccs3)cn2)cc1 57796988 FABNAHCOMVJZSH-UHFFFAOYSA-N 360.486 4.531 0 40 FJAB Cc1sc2ncnc(N3CCC(Nc4ccc(F)cc4)CC3)c2c1C 58358179 UVFGRSGQZAMWKA-UHFFFAOYSA-N 356.470 4.528 0 40 FJAB O=C(Nc1ccc(OCc2ccc(F)c3cccnc23)cc1)c1ccco1 58404669 ALNSRPRHYLVORL-UHFFFAOYSA-N 362.360 4.798 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351972 NTLCMANHGMGDCC-IFXJQAMLSA-N 361.869 4.692 0 40 FJAB CNc1nc2c(s1)[C@H](c1ccc(OC3CCCC3)c(OC)c1)CC(O)=N2 61718320 UNDIVGVXCPCWDZ-ZDUSSCGKSA-N 373.478 4.638 0 40 FJAB CSc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1 64477229 DJVBCLWNIDZRMN-UHFFFAOYSA-N 369.511 4.901 0 40 FJAB COc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1F 65521273 FHRXIDXASUKMRD-UHFFFAOYSA-N 350.393 4.514 0 40 FJAB O=C(/C=C/c1c(F)cccc1F)O[C@H](c1ccccc1)c1ccccn1 65610648 QTOUACYZSPYHPJ-JNCYCUAHSA-N 351.352 4.706 0 40 FJAB O=C(c1cccc(Cl)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635399 RDAOAEALIZEQFH-MRXNPFEDSA-N 369.770 4.573 0 40 FJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cccc(Br)c2)S1 71284394 ITKDQWZCGRNXIJ-ZDUSSCGKSA-N 366.284 4.818 0 40 FJAB CC(C)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C(C)C 72212963 NSDSGTSJZHMRLH-FQEVSTJZSA-N 351.494 4.682 0 40 FJAB Cc1csc(C(=O)N2CCO[C@H](c3cc(Cl)cc(Cl)c3)C2)c1 85562247 YAWVKGZFRPNQTH-AWEZNQCLSA-N 356.274 4.577 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc4[nH]ccc34)c2)n1 96224325 RGRYEAVYJUJICX-UHFFFAOYSA-N 357.417 4.571 0 40 FJAB CC[C@@H](C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccccc1 206689297 XBVWKPQPWJECOH-MJGOQNOKSA-N 371.527 4.701 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 218968673 YYYVYVRWEHPFQO-UHFFFAOYSA-N 353.462 4.951 0 40 FJAB COC(=O)c1cn(C(=O)CSCc2ccccc2Cl)c2ccccc12 222570410 FOBLWYUICRJWJA-UHFFFAOYSA-N 373.861 4.655 0 40 FJAB Cc1cccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C 223898989 YJPSEUWESFQYAI-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1OCC 224303207 QMTNZIJJJJIYLR-GOSISDBHSA-N 369.505 4.911 0 40 FJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1C 224376444 DGZYAIDLOJPXBK-UHFFFAOYSA-N 367.489 4.845 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C(F)(F)F)c1 224398220 UOURXOVBIBCHJY-AWEZNQCLSA-N 373.374 4.942 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2ccccc2C)c2ccccc2O1 224732168 SKUWAEDDBCVBIF-GOSISDBHSA-N 353.462 4.573 0 40 FJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCCC(C)C)o2)cc1 224913080 RFHGGCZMCLNIEE-UHFFFAOYSA-N 364.445 4.793 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C)n1 225871298 XOULSYXBJFUESQ-UHFFFAOYSA-N 368.477 4.638 0 40 FJAB CCOc1ccc(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)cc1 408535475 ZDRGEAQOYAACSF-UHFFFAOYSA-N 370.408 4.915 0 40 FJAB CC(C)Oc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 408619378 LYQIEXVWMOWDRN-UHFFFAOYSA-N 360.262 4.581 0 40 FJAB Cc1cccc(-c2cc(Cl)ccc2NC(=O)N(C)C[C@H]2C[C@@H](O)C2)c1 626551131 XOLJXHALJHTLDM-KDYLLFBJSA-N 358.869 4.550 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccs2)CN1c1cccc(F)c1 1615160236 YBQIIAPSLSFODG-HXUWFJFHSA-N 358.482 4.551 0 40 FJAB Cc1ccc(C)n1-c1sccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 1629433600 WSGHOZLMIBWRLM-ZDUSSCGKSA-N 360.429 4.925 0 40 FJAB CCOC(=O)c1c(C)n(CCOc2ccc(C)cc2C)c2ccc(O)cc12 716418 FBRVFJAJHINWSB-UHFFFAOYSA-N 367.445 4.528 0 40 FJAB CCCc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 1903416 ILNSYKMNWUWJNN-UHFFFAOYSA-N 361.511 4.586 0 40 FJAB O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](c2ccccc2)C1 2236073 FQIMGAFPOKQNDF-SFHVURJKSA-N 355.437 4.940 0 40 FJAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 2364676 ZZSQRJIKOZJXMT-UHFFFAOYSA-N 350.414 4.706 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)c1 3385238 KTKGHTFIGJARFZ-UHFFFAOYSA-N 363.486 4.737 0 40 FJAB O=C(Sc1nnc(SCCOc2ccccc2)s1)c1ccccc1 4050061 KZNQFDNKIVPSMN-UHFFFAOYSA-N 374.512 4.642 0 40 FJAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc(C(F)(F)F)c1 4072416 JAYLTFROCKHGNZ-UHFFFAOYSA-N 367.327 4.615 0 40 FJAB CCc1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685331 DLSREGMUSKUHIH-LEWJYISDSA-N 369.472 4.722 0 40 FJAB Cc1cccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1 5108257 DZQJHCQMDBBDHM-UHFFFAOYSA-N 354.450 4.539 0 40 FJAB O=P1(NCCCO)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523463 JGKAXZPYSCTOAU-UHFFFAOYSA-N 357.415 4.981 0 40 FJAB Cc1cc(Br)c(O)c(-c2nc(N3CCCCC3)sc2C)c1 5534557 YTUBNCIFQJOLIN-UHFFFAOYSA-N 367.312 4.885 0 40 FJAB CCCCCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1 5845563 NHESPHRLXRZYSN-KDOFPFPSSA-N 373.522 4.895 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 7725484 NJAHNFXXTJLJLW-UHFFFAOYSA-N 357.413 4.556 0 40 FJAB O=C(NCc1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)o1 7956504 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CC(=O)Nc1ccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 12788508 KJMMTCBJKYLJSI-UHFFFAOYSA-N 366.808 4.595 0 40 FJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 12932191 QFVNNWSNXUCYAA-INIZCTEOSA-N 350.487 4.933 0 40 FJAB COc1ccccc1NC(=S)NCC(c1ccccc1)c1ccccc1 13577435 NJEPRIKFMNQAQL-UHFFFAOYSA-N 362.498 4.814 0 40 FJAB C[C@@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccc(C(F)(F)F)cc1 14077012 KWWPRKOCRIKQJO-ZDUSSCGKSA-N 361.367 4.948 0 40 FJAB Cc1cc(C)cc(-c2nnc(SCc3nnc(-c4cccs4)o3)o2)c1 14120540 NHPLDEQCRGXGEZ-UHFFFAOYSA-N 370.459 4.757 0 40 FJAB O=C(c1ccccc1)C1CCN(Cc2csc(-c3ccccc3)n2)CC1 14809068 FWPCJZOVNUIFDC-UHFFFAOYSA-N 362.498 4.905 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(Cl)c1 26545388 YIARHQJKYTXWSD-UHFFFAOYSA-N 363.838 4.764 0 40 FJAB CC1(C)C[C@@H]([C@H](CNC(=O)c2cccs2)Cc2ccccc2)CCO1 27666521 BWHRYUKPKFVICQ-ROUUACIJSA-N 357.519 4.542 0 40 FJAB O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCCCC1 29461562 LQLQWRRELPNXSB-UHFFFAOYSA-N 352.459 4.746 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1C 32678714 ZWFDFAMOVHIHTF-UHFFFAOYSA-N 372.428 4.630 0 40 FJAB COc1cc2c(c(OC)c1CC=C(C)C)C=C(c1ccc(O)cc1O)CO2 34228313 QHJJASRUTXHRAL-UHFFFAOYSA-N 368.429 4.557 0 40 FJAB biogenic,in-vitro Cc1ccccc1NC(=S)N1CCC(c2nc3ccccc3o2)CC1 35313910 YKVLYBDGLABBTF-UHFFFAOYSA-N 351.475 4.713 0 40 FJAB FC(F)(F)c1cccc(CN2CCC(Cn3cnc4ccccc43)CC2)c1 36708889 NKGVYUHHWHYEFM-UHFFFAOYSA-N 373.422 4.967 0 40 FJAB O=C(NCCC1=CCCCC1)Nc1cccc(-c2nc(C3CC3)no2)c1 40152309 GRIINHIVLAZOLF-UHFFFAOYSA-N 352.438 4.626 0 40 FJAB Cc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccccc1 40396251 GRNLIQNZVJRSBC-BEFAXECRSA-N 372.472 4.771 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc3ccccc23)cc1OC 44902934 XBUXGUWADSVIAN-CQSZACIVSA-N 367.470 4.976 0 40 FJAB CCCc1n[nH]c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 48356580 LIMBWOZJGLNFDG-AWEZNQCLSA-N 366.490 4.863 0 40 FJAB O=C(c1sc2ccccc2c1Cl)N1CCN(C2CCCCC2)CC1 55121043 HZCXJFUBFQYCBD-UHFFFAOYSA-N 362.926 4.645 0 40 FJAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)c1nc2ccccc2n1C(F)F 58392046 OKLQLDWODNYZTE-GFCCVEGCSA-N 369.371 4.841 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 59289466 KMUWYJJNOPXSCT-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c1 62383953 HSHGGSHYGRMJSE-JOUKPKRSSA-N 369.509 4.714 0 40 FJAB Cc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c(C)n1C1CC1 65007390 MDXGXEOUXMKQRJ-UHFFFAOYSA-N 359.420 4.571 0 40 FJAB CSc1cccc(NC(=S)Nc2ccc(Br)cc2)c1 71761360 KNXDOOKWULZVCN-UHFFFAOYSA-N 353.310 4.980 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(F)c(F)c2)S1 85411913 CDHPFOTWQYSKKL-MRXNPFEDSA-N 363.433 4.846 0 40 FJAB C[C@@H]1C[C@H](NC(=O)Nc2ccccc2-c2nc3ccccc3s2)CCO1 95982972 HQZVANUHPBBJQV-ZIAGYGMSSA-N 367.474 4.652 0 40 FJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1F)[C@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194643 FGRICAIZIHIJBY-AVLUTBSFSA-N 355.384 4.960 0 40 FJAB CC(C)c1ccc(C2=C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 102048038 IJDOXAOCUYRYOY-GOSISDBHSA-N 351.841 4.506 0 40 FJAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(COCc2ccco2)c1 106568451 QWSFBZJFZBEOBO-WDSOQIARSA-N 368.477 4.944 0 40 FJAB CSCc1cccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1C 116673332 GOVBOZICYIFYKY-UHFFFAOYSA-N 351.475 4.604 0 40 FJAB O=C(NC[C@H]1CCCN1c1ccccc1)C(c1ccccc1)c1ccccc1 211119195 FXECEBHREOUJNJ-HSZRJFAPSA-N 370.496 4.604 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222965890 DNWAZNCEIKQRJI-HXUWFJFHSA-N 369.505 4.609 0 40 FJAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)s1 223104192 VVEOEUSTZCNVHG-GFCCVEGCSA-N 373.503 4.598 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 223210577 LHOLOTQVZLVQHR-GJZGRUSLSA-N 361.869 4.610 0 40 FJAB COc1ccc(OCCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223443118 IAGYICLQPQCOBH-SFHVURJKSA-N 355.478 4.657 0 40 FJAB CCc1ccc(CC)c(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 224780644 YWTAMZIBGKHLRA-UHFFFAOYSA-N 372.317 4.597 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)c1 225484613 WTWYVBLCMCXYNQ-SFHVURJKSA-N 356.491 4.609 0 40 FJAB CC(C)C1(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CCCC1 225871056 RBHINUIFVFBBKV-UHFFFAOYSA-N 373.566 4.568 0 40 FJAB CCCCc1nc(CN(Cc2ccccc2CO)c2ccc(F)cc2)c[nH]1 257257166 KOIQAZHOOICUSA-UHFFFAOYSA-N 367.468 4.591 0 40 FJAB O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1c1ccccc1 408903206 VPMBZHQYMHVIED-SAPNQHFASA-N 368.458 4.901 0 40 FJAB O=C(Nc1cccc(Sc2ccc(Cl)cc2)c1)[C@H]1C[C@H]2CC[C@H]1O2 1126840894 WJNHLIVTKZGXBX-FHLIZLRMSA-N 359.878 4.997 0 40 FJAB COC(=O)c1cccc(-c2nc(CN3CCC(CC(C)C)CC3)cs2)c1 1615055587 HSEWHELSODLNKX-UHFFFAOYSA-N 372.534 4.855 0 40 FJAB Cc1cc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)c(C)cc1Cl 1776003801 BZFRNAKZLFRAIM-UHFFFAOYSA-N 359.274 4.995 0 40 FJAB CCC(CC)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 683193 VPHNHGQLHMIFMM-UHFFFAOYSA-N 372.896 4.687 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 851423 NMNVTWRODDHXPG-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1)c1nc3ccccc3nc12 1020361 DGZHWVVWNGREHA-XZOQPEGZSA-N 357.457 4.598 0 40 FJAB COc1ccc([C@H]2C(=O)c3ccc(OC)cc3O[C@H]2c2ccccc2)cc1 1611245 RQEMHCIRNVNLNO-GMAHTHKFSA-N 360.409 4.804 0 40 FJAB CCCCN(CCCC)CCc1ccc(OC(=O)c2ccc(N)cc2)cc1 1688843 AILPXFZQJSXTQI-UHFFFAOYSA-N 368.521 4.933 0 40 FJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)cc1Cl 3377654 APTUYJDWICPBMR-LJQANCHMSA-N 358.869 4.514 0 40 FJAB CCCCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(C(F)(F)F)C1 4009289 QIDKLQOBTVAGKR-SFHVURJKSA-N 370.415 4.627 0 40 FJAB O=C(CCSc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 4088308 UGLVJBVJMMOFHN-UHFFFAOYSA-N 368.483 4.823 0 40 FJAB CCO/C=C1\C(=O)N(c2c(Cl)cccc2Cl)c2cc(C=O)ccc21 4141910 FXBZZLQAKWEXDY-RAXLEYEMSA-N 362.212 4.862 0 40 FJAB COc1ccc(OC)c2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc12 4331304 YUXXWLLBCAWUKM-UHFFFAOYSA-N 370.474 4.863 0 40 FJAB Cc1ccccc1C1=N/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)O1 4471731 YFIUVMHYVAYDKO-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 4691544 LONUZVILOHDWEN-ZDUSSCGKSA-N 362.267 4.980 0 40 FJAB Clc1ccc(OC[C@H]2CO[C@@H](c3ccc(Br)cc3)O2)cc1 4782707 BYCGUPJLPVVBJI-JKSUJKDBSA-N 369.642 4.596 0 40 FJAB O=C(CCc1ccccc1)NCCc1csc(-c2ccc(Cl)cc2)n1 5137300 BNMKLSBTNVJCAG-UHFFFAOYSA-N 370.905 4.755 0 40 FJAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1Cl 5583815 AGPJZJSWPQLIEZ-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB O=C(O)c1ccccc1-n1ncc2c1/C(=C/c1ccc(Cl)cc1)CC2 5786479 NUVXMGMEOOGUKG-SDNWHVSQSA-N 350.805 4.711 0 40 FJAB CC(C)(C)c1ccc(OCCN2C(=O)S/C(=C/c3ccco3)C2=O)cc1 6170301 ROGXDOUZUYUCBM-GHRIWEEISA-N 371.458 4.692 0 40 FJAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 6223804 NNRPYTMJBLMKBA-LBPRGKRZSA-N 371.487 4.758 0 40 FJAB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 6587611 LYTQGGMMEKBUJD-LUJQZDOJSA-N 374.484 4.867 0 40 FJAB COc1ccc(-c2nc(NC(=O)N3C[C@H](C)C[C@@H](C)C3)sc2C)cc1 6588698 ORRRURVEHBQXJH-CHWSQXEVSA-N 359.495 4.637 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 8041085 XLNHHJPKBHQTJT-JTQLQIEISA-N 373.758 4.773 0 40 FJAB CCOc1cc(CNC2CCCCC2)cc(Br)c1OCC 8253811 WQBSVTGGLFPQHY-UHFFFAOYSA-N 356.304 4.669 0 40 FJAB Cc1cc2oc(C(=O)Nc3ccccc3C(F)(F)F)cc(=O)c2cc1C 8868820 URWDRIHGRPTKAU-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)C1CCCCC1 9946830 DTIXUXBOIRGZHL-UHFFFAOYSA-N 371.550 4.582 0 40 FJAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccoc1 11521897 BITAZXGFWZMDFZ-UHFFFAOYSA-N 353.230 4.886 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccncc3)no2)cc1 12143934 WERIJQCVTFZTIU-NRFANRHFSA-N 363.461 4.863 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(F)cc(F)c1 12541446 SJSDSIUCNVUOSF-UHFFFAOYSA-N 355.369 4.593 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12574353 GZYSYTQNQSMOMS-MRXNPFEDSA-N 360.244 4.847 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)cc3C)cs2)cc1 12777130 MACHGPDZSIEFBK-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12870111 BCWQXPJEIKQFIN-OAQYLSRUSA-N 351.471 4.595 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631104 DZEUYZKTNRCVQV-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1Cl 14125302 KMPCXKGQUPXKGZ-UHFFFAOYSA-N 367.836 4.716 0 40 FJAB CN(Cc1nc(-c2ccccc2)no1)C(c1ccccc1)c1ccccc1 15292790 OULPHEWTNYVCPX-UHFFFAOYSA-N 355.441 4.958 0 40 FJAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19573100 KAMWBSWRTUXGOL-XRYGDTNYSA-N 365.521 4.540 0 40 FJAB O=c1[nH]c2cc3c(cc2c(-c2cccc(F)c2)c1-c1ccccc1)OCCO3 19957182 BMIKEZDKTRICOM-UHFFFAOYSA-N 373.383 4.772 0 40 FJAB CCOc1cccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1 20493468 XTVOUYUMDNQEIX-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc21 20607751 COQYWGOUDIDEEV-UHFFFAOYSA-N 369.368 4.533 0 40 FJAB Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCC(c2ccccc2)CC1 25099656 ILDWNENZZFOTTB-UHFFFAOYSA-N 362.395 4.865 0 40 FJAB CN(C)[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1Cl 29051073 BTORTKPYCXWOAG-IBGZPJMESA-N 368.864 4.633 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)NCC2(c3ccccc3)CC2)s1 32902849 DXQWLJWUVHIXAA-UHFFFAOYSA-N 368.527 4.571 0 40 FJAB CC(=O)c1nn(-c2ccc(F)cc2)cc1C(=O)c1cccc2ccccc12 36649144 FCSNWQSHLQQSIB-UHFFFAOYSA-N 358.372 4.598 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38856938 YPZRMCOTCHJECI-IBGZPJMESA-N 354.469 4.547 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCCc1nc(C(C)C)no1 40129166 RNGQCODWZKQXHY-UHFFFAOYSA-N 363.889 4.933 0 40 FJAB CCCc1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)cs1 42651096 QUCOUKBZZXSTSE-UHFFFAOYSA-N 370.547 4.905 0 40 FJAB O=C(NCc1ccc(Cl)cc1)N(Cc1ccsc1)CC(F)(F)F 44447778 BOGFNQKVJQSTPI-UHFFFAOYSA-N 362.804 4.676 0 40 FJAB c1ccc(Cc2noc(CNC(c3ccccc3)c3ccccc3)n2)cc1 48353896 ICOUNVBPZCDUPI-UHFFFAOYSA-N 355.441 4.540 0 40 FJAB CC(C)c1nc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)cs1 58379534 UFHHPBSLKTXMJH-UHFFFAOYSA-N 362.926 4.701 0 40 FJAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2Cc2cnn(C)c2C)n1 72372452 FEHVLNLSJWBTTG-DEOSSOPVSA-N 374.532 4.668 0 40 FJAB Cc1cc(CN[C@@H](C)c2nc[nH]n2)cc(C)c1OCc1ccccc1Cl 95467782 WNQJKUGHWIOGSZ-HNNXBMFYSA-N 370.884 4.505 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2)n1 95475268 OEFDYCNPDOIUPH-UHFFFAOYSA-N 357.417 4.571 0 40 FJAB CCOc1ccccc1-c1nnc(SCc2ccc3[nH]c(C)nc3c2)o1 95941655 OJYAVISOWBWRSZ-UHFFFAOYSA-N 366.446 4.612 0 40 FJAB C[C@@H]1[C@@H](NC(=O)CSc2nc3cc(Cl)ccc3o2)CCC[C@H]1C 102171237 CHXBWOKJPGFPLE-MDZLAQPJSA-N 352.887 4.514 0 40 FJAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 106687066 YFEDSIXXBGVWGT-BOPFTXTBSA-N 373.861 4.975 0 40 FJAB Cc1ccc2cccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c2n1 117902853 NNZBWSXORSAKMN-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Br)cc1 222944805 OUJIPLAPQYTFGG-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB CCc1nc2ccc(NC(=S)NCc3ccc(Cl)cc3)cc2s1 225206837 PKVHOJCBHUULPG-UHFFFAOYSA-N 361.923 4.999 0 40 FJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 244252872 WICQVSDEJXTHGD-UHFFFAOYSA-N 364.489 4.609 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@H]1SC3=NCCN3[C@]12O 253505456 PYAGEKHNNRKKHJ-PSPJQRINSA-N 374.594 4.505 0 40 FJAB Cc1csc(-c2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccn2)n1 257222767 DUQIHZBXFJHARI-OAHLLOKOSA-N 359.495 4.628 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257337084 YRHAXVLNQDYXOS-ZDUNFWRLSA-N 353.865 4.640 0 40 FJAB Cc1ccc(NCc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409115736 GWQWLVOSJPQRKF-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB O=C(NCc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1C(F)(F)F 728063496 FIJFTPOVXHVQHC-KRWDZBQOSA-N 366.358 4.891 0 40 FJAB CCc1ccc(-c2n[nH]c(SC[C@H](OC)c3ccc(F)cc3)n2)cc1 1640696512 GMZHNXMQHKPZIW-KRWDZBQOSA-N 357.454 4.653 0 40 FJAB O=C1NCCc2c(N[C@H]3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)cccc21 1664996706 YDYDBZCTZPSPCG-ZBFHGGJFSA-N 374.406 4.740 0 40 FJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 2051806 NKFHEYQYIIFEGW-UHFFFAOYSA-N 364.470 4.924 0 40 FJAB aggregator CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1 2224534 WFYAQDUHDRUESU-SFHVURJKSA-N 367.832 4.745 0 40 FJAB Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(F)cc1 2619894 LJJURGIJNDTTAO-UHFFFAOYSA-N 351.809 4.706 0 40 FJAB CCCCC[C@H]1C[C@@H](OC(=O)Nc2ccccc2)C=C(C)[C@@H]1C(=O)OC 3174452 LXYPHJSHOAJKFP-WDSOQIARSA-N 359.466 4.939 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)o1 3422332 KMKPOWSYUBZEMJ-OAHLLOKOSA-N 362.429 4.640 0 40 FJAB COc1ccc2oc(C(=O)OCCCOc3ccc(F)cc3)c(C)c2c1 4319054 FWCLBGCXGOBFBK-UHFFFAOYSA-N 358.365 4.515 0 40 FJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCCOC(C)C 4698834 URWQWBRPIXZTHC-QFIPXVFZSA-N 362.473 4.837 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)c1 4926611 WZYCKPCCFOAPMU-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB Cc1ccc2[nH]c(SCC(=O)c3cccc(Br)c3)nc2c1 5357843 CQCPPOGVLINVRZ-UHFFFAOYSA-N 361.264 4.609 0 40 FJAB Cc1ccc2nc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH]c2c1 5626043 FWBPNCIKTDNLCI-UHFFFAOYSA-N 353.853 4.545 0 40 FJAB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(C)(C)C)cc1 6085800 LPHYXBIRBMVWAO-UHFFFAOYSA-N 374.912 4.587 0 40 FJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3C)o2)cc1C 6256960 FBYSMDMHGIMBHT-UHFFFAOYSA-N 364.470 4.999 0 40 FJAB FC(F)(F)c1nc(SCc2cn3ccccc3n2)c2ccccc2n1 7128011 AUQCTBYSCOEFSZ-UHFFFAOYSA-N 360.364 4.589 0 40 FJAB COc1ccc2cc(CN(C)C(=O)COc3cccc(Cl)c3)ccc2c1 7890615 LTHIMQARHMDRDA-UHFFFAOYSA-N 369.848 4.539 0 40 FJAB O=C(NCCc1ccco1)c1oc2ccccc2c1COc1ccccc1 8156156 HXWMZEIMFKRXIJ-UHFFFAOYSA-N 361.397 4.577 0 40 FJAB COc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 8768004 HMYXGDVDBYMAAI-UHFFFAOYSA-N 360.826 4.511 0 40 FJAB Clc1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)cc1 9184790 HLFKVFKCHIFPLT-UHFFFAOYSA-N 369.896 4.755 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)o2)c1 10015386 VYUHOBVGXOJJOO-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10557504 LNOYDVALACRVCZ-MRXNPFEDSA-N 353.425 4.788 0 40 FJAB CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 12062555 AOVLWFDZDFACGD-FQEVSTJZSA-N 373.880 4.560 0 40 FJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 12757788 XZOKWQJTOPEUGD-LLVKDONJSA-N 362.882 4.549 0 40 FJAB O=c1c2ccsc2nc(SCCc2ccccc2)n1-c1ccccc1 12798227 WKRMUTRFDFIMSW-UHFFFAOYSA-N 364.495 4.782 0 40 FJAB COc1ccc(Br)cc1C(=O)Nc1ccc2ccccc2c1 13627394 WONWNNMBDAQYOS-UHFFFAOYSA-N 356.219 4.863 0 40 FJAB O=S1(=O)Cc2c(nc3ccccc3c2-c2ccccc2)-c2ccccc21 15453790 CURIOERNUFUGGR-UHFFFAOYSA-N 357.434 4.856 0 40 FJAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCCCC1 22960212 CUTJJHGFPVDZNS-UHFFFAOYSA-N 367.474 4.575 0 40 FJAB C[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 23723436 XWUDSHKMENVOLK-XYPHTWIQSA-N 352.865 4.725 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)Sc3ncnc4ccsc34)o2)cc1 26961479 VUWNRMULOWWFSI-NSHDSACASA-N 354.460 4.903 0 40 FJAB Cc1nn2c(NC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nc2s1 27061793 NXMMDAWUFPTLKY-UHFFFAOYSA-N 368.849 4.672 0 40 FJAB Cc1cc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc(C)c1Cl 27664319 LZGIRQXESUNRCT-UHFFFAOYSA-N 356.809 4.629 0 40 FJAB O=C1CSc2ccccc2N1C(=S)Nc1cc(Cl)ccc1Cl 28527139 YNKPABORBKPWGU-UHFFFAOYSA-N 369.298 4.829 0 40 FJAB CC(=O)OC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)CCC=C(C)C 31159383 GFDOSVZSTRYXMK-XXEBIUCASA-N 364.526 4.640 0 40 FJAB biogenic,in-vitro O=C1CCCN1c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 32666047 YEZZBFZGFVGNCH-UHFFFAOYSA-N 368.864 4.527 0 40 FJAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(C(C)=O)s3)oc12 32772668 PDWKIIDWIWIHEK-LLVKDONJSA-N 357.431 4.587 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc2ccccc2o1 33028454 XROXRMCURANYOP-SFHVURJKSA-N 368.864 4.653 0 40 FJAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39760826 QTLGQWXIGXROKF-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB COc1cc(Br)c2oc(-c3cc(N)ccc3Cl)nc2c1 45920196 UKHQLUYDHZBKOQ-UHFFFAOYSA-N 353.603 4.502 0 40 FJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 56302266 PNWNGKCPEXOMHS-KRWDZBQOSA-N 353.462 4.551 0 40 FJAB O=C(Nn1cnc2ccccc21)c1ccc(-c2cccc(C(F)(F)F)c2)o1 84605705 JHBPAZJUVQAXDX-UHFFFAOYSA-N 371.318 4.699 0 40 FJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)c[nH]1 84734502 JHOWIWMHLSDAGL-RDJZCZTQSA-N 361.283 4.576 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)NNc1ccccc1C(F)(F)F 89813304 DTEBUJSJBTUSMU-UHFFFAOYSA-N 374.815 4.735 0 40 FJAB O=C(/C=C/c1cccc(-c2ccccc2)c1)N1CCCC[C@@H]1c1ncon1 95399294 XXBAXNGRDGDRRW-DRUFCSCSSA-N 359.429 4.504 0 40 FJAB O[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(CCC(O)(c1ccccc1)c1ccccc1)C3 104038804 VRDCOVZTKCMJMY-RLZGILHYSA-N 362.513 4.890 0 40 FJAB O=C(NC[C@@H]1CCCN1c1ccccc1)C(c1ccccc1)c1ccccc1 211119152 FXECEBHREOUJNJ-QHCPKHFHSA-N 370.496 4.604 0 40 FJAB CCOC(=O)c1cc(NC(=O)c2ccccc2SCC)ccc1Cl 219648631 MABKXUBSDSLJOC-UHFFFAOYSA-N 363.866 4.881 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 223022644 CWDNMAFDULCYIJ-JXFKEZNVSA-N 359.897 4.943 0 40 FJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccccc2)ccc1Cl 225281227 VAQYRJCINMYFSC-GFCCVEGCSA-N 362.882 4.564 0 40 FJAB CCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225867171 IEAPOZRPLFSLCY-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1cccs1 226287668 MYHFEEIVLDAWCH-UHFFFAOYSA-N 368.845 4.814 0 40 FJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)o1 226338624 BLQPFXJBXZEWAR-XBXARRHUSA-N 362.216 4.708 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257204402 AUKBYMIFSAVFHD-RRARJMIVSA-N 369.427 4.866 0 40 FJAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408557935 PMLFOIRHGACBRH-GOSISDBHSA-N 363.866 4.526 0 40 FJAB Cc1csc2nc(SCC(=O)Nc3ccccc3C(C)C)nc(O)c12 408595556 JUNBTVPLVUUMPR-UHFFFAOYSA-N 373.503 4.560 0 40 FJAB Cc1[nH]c2ccccc2c1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 502875875 GICFSUOXNFZHNH-UHFFFAOYSA-N 361.272 4.984 0 40 FJAB Cc1c(-c2nnc(CSc3ccc(Cl)cc3)o2)ccc2cncn12 1323945038 COUSBBAASGZNCQ-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(Cl)cc2)S3)c1 935545 GRDOAWXKEUGGMW-OAHLLOKOSA-N 355.850 4.784 0 40 FJAB CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCCCC1)CCCC2 950032 SEIHYLKRJMDYJI-HXUWFJFHSA-N 369.534 4.556 0 40 FJAB COc1ccc(-n2c(SC/C=C(/C)Cl)nc3ccccc3c2=O)cc1 1247429 YPXNGEBFXABOCD-QBFSEMIESA-N 372.877 4.629 0 40 FJAB CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1cc(C)ccc1O 1916082 NASJRALCLGAIDG-UHFFFAOYSA-N 350.418 4.786 0 40 FJAB CCCC(=O)Nc1ccc(OCc2nc3ccccc3s2)c(C(C)=O)c1 3446302 LGWRKFAYPGTYQB-UHFFFAOYSA-N 368.458 4.817 0 40 FJAB COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cccs1 4487799 VWJHJUJFFLCEFC-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB Cc1cccc(-c2nc(CCNC(=O)c3ccc(Cl)cc3)cs2)c1 4570818 PJTSELUJHOMVKH-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 4910449 QWCGLTHZPUDYLF-KRWDZBQOSA-N 353.462 4.973 0 40 FJAB CCOc1cccc2cc(C(=O)Nc3c(CC)cccc3CC)c(=O)oc12 5043315 CKQWBUWNSYCDSU-UHFFFAOYSA-N 365.429 4.569 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1 5607589 XFSZOQSCXACSPK-UHFFFAOYSA-N 356.834 4.918 0 40 FJAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 5972004 LFNYPVORGTUZOD-UHFFFAOYSA-N 368.483 4.744 0 40 FJAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(Br)cc2)c1 6522338 ZPSFOSWMUGLISF-UHFFFAOYSA-N 369.280 4.649 0 40 FJAB COc1cc(NC(=S)Nc2ccccc2C(F)(F)F)cc(OC)c1 6951414 AEDFKWUVILAGDC-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB CCOc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc(Cl)c1OC 7155702 VZZSLSROWOIEDQ-AWNIVKPZSA-N 364.228 4.893 0 40 FJAB O[C@H]1CCCc2c(Oc3nc(-c4cccnc4)nc4ccccc34)cccc21 7467228 POBQZFXHPQKPLE-FQEVSTJZSA-N 369.424 4.854 0 40 FJAB COc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1Cl 8470398 KWWZWQVKYJPWSY-UHFFFAOYSA-N 352.261 4.833 0 40 FJAB COc1ccc(NC(=O)[C@H](C)SCc2cc(Cl)ccc2OC)cc1 9938795 QWYJRTOMPDHWGN-LBPRGKRZSA-N 365.882 4.618 0 40 FJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)Cc1ccccc1 10714987 RHXNETNIEMXBKK-CQSZACIVSA-N 370.449 4.620 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)ccc2o1 12825183 XKHKJURHTRYILY-SECBINFHSA-N 364.232 4.882 0 40 FJAB Cc1ccc(-c2nc(COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cs2)cc1 13076371 QIOQHRJAPSXVNW-SJPCQFCGSA-N 369.486 4.557 0 40 FJAB O=C(OCc1ccc(F)cc1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13099097 NBDSLISWISCJDZ-MQVJKMGUSA-N 366.523 4.872 0 40 FJAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 13144242 HFQHBWBLOYKBSF-INIZCTEOSA-N 373.431 4.715 0 40 FJAB Cc1cccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 15100387 URPQDWKJXQLKOA-UHFFFAOYSA-N 371.864 4.574 0 40 FJAB COc1ccc(-c2nc(CNC(=O)c3cccc4ccccc34)cs2)cc1 15832704 QJKVTJGIFDQVHL-UHFFFAOYSA-N 374.465 4.902 0 40 FJAB CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](C)O 16891622 JZSMZIOJUHECHW-JHRJRCTKSA-N 356.547 4.919 0 40 FJAB O=C1N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)Nc2ccccc21 20244062 WVJYDWORNCNUHW-FQEVSTJZSA-N 364.832 4.773 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 20493736 PNIYPZAQXFOHFH-CQSZACIVSA-N 363.910 4.849 0 40 FJAB Cc1ccc(C)c(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[nH]2)c1 21883817 LEDOALWHVYBXOK-UHFFFAOYSA-N 361.470 4.827 0 40 FJAB COc1ccc(CCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 23135314 PZUYWIBKLSVLRN-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(-c2nnco2)c1 24697174 ASGQKCSFUFMMQU-UHFFFAOYSA-N 369.380 4.817 0 40 FJAB CC(=O)NCCc1ccc(C(=O)CSc2ccc(C(C)C)cc2)s1 31817859 YEZJSVRZZABKIK-UHFFFAOYSA-N 361.532 4.525 0 40 FJAB Cc1ccc(-c2csc(-n3c(NC(=O)CC(C)C)cnc3C)n2)cc1 32508788 DMFMOADDIFIXPW-UHFFFAOYSA-N 354.479 4.597 0 40 FJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 32721291 AAQWVVWFTZDBFD-CYBMUJFWSA-N 374.362 4.909 0 40 FJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCCOc1ccccc1 32803451 CCFVPOGRFQIPJH-UHFFFAOYSA-N 367.276 4.604 0 40 FJAB Cc1ccccc1C(=O)Nc1cnc(C)n1-c1nc(-c2ccccc2)cs1 35682932 WQSUGAQWBIIUOX-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 39767805 UXVVJUMPYTVKNK-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40011778 IRWOKVSYQPXWCR-CYBMUJFWSA-N 354.841 4.628 0 40 FJAB Cc1nc2cc(NC(=O)Cc3ccc(-c4csc(C)n4)cc3)ccc2o1 40079763 KTODFXLGNXVNAH-UHFFFAOYSA-N 363.442 4.749 0 40 FJAB CC(C)Sc1ncccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 44502243 CFRGWYHENOKGDM-UHFFFAOYSA-N 353.447 4.853 0 40 FJAB Cc1ccc2c(Nc3ccc(F)cc3)c(-c3nc(C4CC4)no3)cnc2n1 49420761 BJWAIARDSWSFJT-UHFFFAOYSA-N 361.380 4.748 0 40 FJAB Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1F 56103149 VQLWHRXNSRKDAS-UONOGXRCSA-N 369.362 4.627 0 40 FJAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl 57463297 HGJMMXNGQBDRAV-XIKOKIGWSA-N 363.288 4.664 0 40 FJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(Cl)cc1)C3 58015140 VKIWCHUBJUJVMU-UHFFFAOYSA-N 369.848 4.751 0 40 FJAB biogenic Cc1cc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)[nH]n1 71962809 VGLFWQHOMLMQPD-UHFFFAOYSA-N 362.408 4.577 0 40 FJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 72228958 IPANLVVKRASUIX-UHFFFAOYSA-N 362.477 4.688 0 40 FJAB OCc1cccc(-c2cccc([C@H]3CCCN(CCc4ccccc4)C3)n2)c1 72348691 SUPKLKSOTBMHGQ-QHCPKHFHSA-N 372.512 4.663 0 40 FJAB Cc1ccsc1-c1nnc(C2CCN(Cc3cccc(F)c3)CC2)o1 72389934 QIUXGSUYPODMLV-UHFFFAOYSA-N 357.454 4.625 0 40 FJAB Cc1ccc(NC(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)c(C)c1 75094169 TTXMFNMTPAOLLB-FQEVSTJZSA-N 354.494 4.917 0 40 FJAB O=S(=O)(O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 77319724 ZPFYUMPBKRRSTR-UHFFFAOYSA-N 369.609 4.621 0 40 FJAB biogenic,in-man COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 85411903 ALFMRLBYCZKFOT-QGZVFWFLSA-N 357.479 4.576 0 40 FJAB Cc1oc(-c2ccccc2)nc1Cn1cc(Br)c(C(C)C)n1 89548128 GOPMAROULFQHCW-UHFFFAOYSA-N 360.255 4.781 0 40 FJAB CCC[C@@]1(CCN(C(C)=O)[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96114946 HZKLIACZBGWAQX-GHTZIAJQSA-N 353.547 4.558 0 40 FJAB biogenic COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1scnc1-c1ccccc1 102724661 IMUAPECKAHILIV-JKSUJKDBSA-N 350.443 4.561 0 40 FJAB O=C(CSCc1ccccc1)Nc1ccccc1-c1cn2ccccc2n1 206898977 STDMWINNLGDKTD-UHFFFAOYSA-N 373.481 4.873 0 40 FJAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)s1 223159301 RASDJTFYGZXVNH-HNNXBMFYSA-N 373.503 4.599 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 224269309 MNVWFBKBWRVMNK-QGZVFWFLSA-N 367.474 4.618 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)c(C)c1 225461275 DEYIMJGKQOYIHD-LJQANCHMSA-N 368.502 4.536 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1 225867650 ZSQOOAJLLXIRQE-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(N)c1 226349144 HGGJFRLDMPEKPG-UHFFFAOYSA-N 374.799 4.972 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)S1 260772071 MGWGYYKHPHCGRZ-NIKGAXFTSA-N 352.507 4.588 0 40 FJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(OC)c2)cc1 408579364 GGEQUJDZCFLTFI-UHFFFAOYSA-N 352.459 4.942 0 40 FJAB CCSc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@@H]4C)n2n1 575473257 PPIOBUTXXPSFNL-ZDUSSCGKSA-N 367.522 4.909 0 40 FJAB O=C(CCCCCn1cccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 604419413 MSCIKFGBFABRPS-UHFFFAOYSA-N 361.489 4.846 0 40 FJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12 1077553 MVBZVOINMAHEEA-UHFFFAOYSA-N 361.426 4.621 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc2c1C 1342894 RSQOJFCJULJHHC-UHFFFAOYSA-N 373.481 4.851 0 40 FJAB c1ccc(CCn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2251175 XISPJDZYVRQVDQ-UHFFFAOYSA-N 356.454 4.951 0 40 FJAB CC(C)c1nc(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)cs1 2286867 WZOXKCARNMKVHZ-UHFFFAOYSA-N 366.486 4.739 0 40 FJAB biogenic O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1 2534601 NNQKSXJESKGDRE-UHFFFAOYSA-N 372.920 4.586 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)c3ccco3)C3CCCCC3)n2)cc1 4512663 BPKKVKJKLYQRBB-UHFFFAOYSA-N 365.433 4.613 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)c1 4702943 PGOVKLIORSPQMU-MRXNPFEDSA-N 370.880 4.565 0 40 FJAB COc1cccc(CNCc2cccs2)c1OCc1ccc(F)cc1 4784831 HJBOBAYFTLBOJH-UHFFFAOYSA-N 357.450 4.765 0 40 FJAB Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)NC(C)(C)C 5006154 SCOROCZXAXBOTP-UHFFFAOYSA-N 369.534 4.787 0 40 FJAB Cc1cc(C)c(NC(=O)CSCc2ccc3c(c2)OCO3)c(Cl)c1 6605312 HQJJCAGRHHKSLK-UHFFFAOYSA-N 363.866 4.557 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 6852156 RKFQKGZTSXLKOC-CYBMUJFWSA-N 356.878 4.883 0 40 FJAB Fc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1Cl 7539787 ARYLNOSWNGQXRI-UHFFFAOYSA-N 359.784 4.758 0 40 FJAB Cc1ccc2[nH]c(S[C@H](C(=O)N3CCCCC3)c3ccccc3)nc2c1 8392949 XWHOPSSGTIBBFR-IBGZPJMESA-N 365.502 4.717 0 40 FJAB Cc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=NCCCS1 8415715 FYFYGRMKNZQGAH-UHFFFAOYSA-N 358.894 4.831 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccncc2)nc2ccccc12 9515424 DVUSDGFZVMYPTE-UHFFFAOYSA-N 360.804 4.598 0 40 FJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)cc1 10139794 ZHYNGRSAMYHGBS-UHFFFAOYSA-N 367.880 4.639 0 40 FJAB O=C(O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 10433939 OFBKUUXWCVUJDN-UHFFFAOYSA-N 363.438 4.929 0 40 FJAB COc1ccc2oc(-c3csc(NC(=O)c4ccccc4F)n3)cc2c1 10883158 IWVBFNPGQQYTBG-UHFFFAOYSA-N 368.389 4.956 0 40 FJAB COc1ccccc1-c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)no1 12200503 JZVOCESQNKGYNZ-GOSISDBHSA-N 356.447 4.539 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(F)c(Cl)c2)cc1 12761017 RUAPFFSIGFBIQQ-RXERPNITSA-N 359.828 4.865 0 40 FJAB Cc1cc(C)c(OCC(=O)N(Cc2ccco2)Cc2ccc(C)o2)c(C)c1 15831762 SGWUBGHUQMXLHB-UHFFFAOYSA-N 367.445 4.714 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 20457488 KHOODHXGDOGKLB-UHFFFAOYSA-N 372.468 4.819 0 40 FJAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)N1CCCc2ccccc21 23127283 VLBRHVBKPSQHLO-UHFFFAOYSA-N 358.397 4.610 0 40 FJAB CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2 23153864 SGWILUPPZAHPSK-UHFFFAOYSA-N 371.531 4.607 0 40 FJAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c(Cl)cc1Cl 24992258 UGWDIRSEOJKLJU-QPUJVOFHSA-N 358.162 4.983 0 40 FJAB O=C(Nc1cccc(OC(F)(F)F)c1)C1(c2cccc(F)c2)CCC1 27133222 ZGDMGXDXOKVIAV-UHFFFAOYSA-N 353.315 4.785 0 40 FJAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220437 OMQNMTDKAPLOMB-LJQANCHMSA-N 360.929 4.559 0 40 FJAB C[C@@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 29485709 VDAIFANXYRXOQG-UZUQRXQVSA-N 358.485 4.636 0 40 FJAB O=C(c1ccccc1Nc1ccccc1)N1CCO[C@@H](c2ccccc2)C1 30765176 YCZLDKBXNAHXFE-JOCHJYFZSA-N 358.441 4.644 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 32976248 YRNRDGNRLIUKDA-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2ccccc2c1 33040095 YEVCEJYBVQHVAO-ZDUSSCGKSA-N 363.848 4.581 0 40 FJAB Cc1cccc(N2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c1 33318298 QOPFDWRPIGYQPB-XNTDXEJSSA-N 374.259 4.998 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc3ccccc23)cc1 35289380 YAZIIDRUSBWNGC-NRFANRHFSA-N 373.456 4.783 0 40 FJAB OC1=Nc2c(ncn2-c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(O)cc2)C1 36366772 HMDQRLKYRUVDLX-OAHLLOKOSA-N 373.334 4.720 0 40 FJAB COc1ccc(NC(=O)CSc2ccc(C)cc2)c(C(F)(F)F)c1 40145525 IJQBYPUBUSMONS-UHFFFAOYSA-N 355.381 4.753 0 40 FJAB Cc1nc(Cc2nc(-c3sccc3Br)cs2)cs1 48355375 RLEBBHLTVZRUNG-UHFFFAOYSA-N 357.323 4.990 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCCOc1ccc2ccccc2c1 59471932 DAOGEZGGCASOQX-ZRDIBKRKSA-N 351.833 4.702 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349622 HMWISNQTCAAITR-GOSISDBHSA-N 352.453 4.784 0 40 FJAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349639 KLSASONOTRVRSD-NRFANRHFSA-N 362.517 4.877 0 40 FJAB CN(CCOC(c1ccccc1)c1ccccc1)Cc1ncc(C2CC2)o1 95446870 JHRHRPWFOJRPAG-UHFFFAOYSA-N 362.473 4.790 0 40 FJAB CCOc1cccc(C[C@@H]2C(=O)N(CC)c3ccc(Br)cc32)c1 101014838 ZYZTXGPLFKBVMH-KRWDZBQOSA-N 374.278 4.541 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1ccc(OC(C)C)cc1 219576846 AUQMKGVAEXEBDU-HXUWFJFHSA-N 373.468 4.519 0 40 FJAB CCOc1ccc(CNC(=O)c2ccccc2SCC)cc1OCC 219645316 OXKQOGGPVDEBDU-UHFFFAOYSA-N 359.491 4.526 0 40 FJAB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(C(C)C)c1C 222588597 RSKBDVQIEXKVEY-QTJFZDIUSA-N 368.550 4.979 0 40 FJAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(OC)c(C)c1 223508235 WVUVGDBDUBPXMD-IBGZPJMESA-N 355.478 4.575 0 40 FJAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1 224089853 XIENKIZGRYOYKJ-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C 224095206 NCVZBLVWZRUNIG-UHFFFAOYSA-N 361.441 4.513 0 40 FJAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccccc1C(F)(F)F 225650583 WWBUTDNXIAVAHS-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3ccc(F)cc3)CCCC2)cc1 225851438 BSYQVCNFLIDORE-UHFFFAOYSA-N 358.482 4.980 0 40 FJAB COc1cccc2c1CCCCN2C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 513889258 PLSGSZQGOLMOEU-ZIAGYGMSSA-N 355.400 4.733 0 40 FJAB CCOc1c(Cl)cc(NC(=O)NCC[C@@H]2CC2(F)F)cc1Cl 621454579 GSLVVDFFACZYFR-MRVPVSSYSA-N 353.196 4.559 0 40 FJAB Cc1c(NC(=O)NC[C@H]2CCCC(C)(C)C2)cnn1-c1ccc(F)cc1 1219379126 ANENXJABLMJCDA-HNNXBMFYSA-N 358.461 4.658 0 40 FJAB COc1cccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c1 933865 PFIFSCQFYLFYRN-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1Cl 953134 MLQAFQFRSWSNJW-LLVKDONJSA-N 354.233 4.716 0 40 FJAB COc1ccc(Nc2nc(Cl)nc(NCCC3=CCCCC3)n2)cc1 968745 DBUVUOFTPFPHOP-UHFFFAOYSA-N 359.861 4.580 0 40 FJAB Cc1ccccc1OC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1412552 YVMXSZHIOWVFOT-UHFFFAOYSA-N 352.415 4.920 0 40 FJAB COc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 2393572 FBJWOUCRCJPMFZ-UHFFFAOYSA-N 374.396 4.812 0 40 FJAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 4088722 VUTPQLGDELNWIR-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)o2)cc1 4602441 INUHQCBCDJIVAO-LBPRGKRZSA-N 372.421 4.638 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1=Cc2ccccc2OC1 5034254 PQOMLIZAQBIEIO-UHFFFAOYSA-N 353.727 4.773 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)cc1C 5234358 RMIGETGKNIXHLU-UHFFFAOYSA-N 369.467 4.503 0 40 FJAB CCCCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 5235916 JHTLLURPSHHWOV-MRXNPFEDSA-N 365.452 4.886 0 40 FJAB Cc1ccc2nc(N(Cc3ccccn3)C(=O)Cc3ccccc3)sc2c1 5265059 ZQYROAFXUGXQKR-UHFFFAOYSA-N 373.481 4.776 0 40 FJAB COc1ccc(/N=c2\scc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 5575988 BPZRZABWVPNSTG-XQDODVJUSA-N 366.486 4.637 0 40 FJAB CCC(=O)Nc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1 5627022 PFFOCLCBAWWYAF-UHFFFAOYSA-N 350.443 4.558 0 40 FJAB CN1CCC(NCC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 6759098 LRIJTMWZNPBCOZ-OAQYLSRUSA-N 360.904 4.685 0 40 FJAB O=C(Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1)c1ccco1 6809706 QDDDKFUAYJAJSA-UHFFFAOYSA-N 372.785 4.987 0 40 FJAB COc1ccc(CCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 6837753 MCOWBXDUYDJACZ-UHFFFAOYSA-N 374.412 4.668 0 40 FJAB COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1OCC(=O)O 6862945 NXUURWQJGCXJCI-FNORWQNLSA-N 369.442 4.556 0 40 FJAB Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1C 8291668 GWEJFIVRQWNQIN-UHFFFAOYSA-N 372.877 4.540 0 40 FJAB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(C(C)C)cc3)nc2c1 8321108 MKTQWXWURCGPLW-KPKJPENVSA-N 355.459 4.915 0 40 FJAB Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(C)c1 12268849 ADWNIYOMRROBGH-NRFANRHFSA-N 351.471 4.650 0 40 FJAB O=C(Cc1nc(-c2ccc(Cl)cc2Cl)cs1)NCc1ccco1 12757250 MFTKGHBJKWBOOJ-UHFFFAOYSA-N 367.257 4.569 0 40 FJAB Cc1cc(-c2ccccc2)nc(S[C@H](C)c2nc(C(C)(C)C)no2)n1 12913543 YESKFPBTWPRFRN-CYBMUJFWSA-N 354.479 4.986 0 40 FJAB O=C1C[C@H](c2ccccc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081458 DBDVIDGIOGGNKR-CQSZACIVSA-N 367.401 4.727 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)n2)cc1 15670007 RVPJQLHXQKSCHP-CQSZACIVSA-N 369.852 4.508 0 40 FJAB O=C(Cc1csc(Nc2ccccc2)n1)Nc1nc2ccccc2s1 16850033 WGFNRFJOYFBDEZ-UHFFFAOYSA-N 366.471 4.678 0 40 FJAB O=C(Nc1ccc(F)cc1Br)c1ccc(C(F)(F)F)cc1 20430198 MZCWPYAGSYLNFS-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 20450664 SBFAEXIVVNAVTH-UHFFFAOYSA-N 372.468 4.900 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1 20610470 MRYYFKZZTDRKJV-UHFFFAOYSA-N 374.419 4.935 0 40 FJAB Clc1ccc(OCc2n[nH]c(SCc3ccccc3Cl)n2)cc1 21112218 UVDCPWHTSJHOMD-UHFFFAOYSA-N 366.273 4.983 0 40 FJAB COc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c1OC(F)F 22328698 IEIYOYYQCDCJOW-GZKZCVOOSA-N 373.399 4.674 0 40 FJAB NC(=O)[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 26220276 NEXJZTPFCKSEQX-LJQANCHMSA-N 359.454 4.602 0 40 FJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O 32859670 NEHCWOWAUKVRRZ-HXUWFJFHSA-N 366.800 4.827 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 35289607 BHYQRFOULPGJET-LJQANCHMSA-N 365.477 4.501 0 40 FJAB O=C(NCc1ccccc1F)c1ccc(-c2nc3ccccc3s2)o1 36874488 MVMJGPKTKQVOSQ-UHFFFAOYSA-N 352.390 4.625 0 40 FJAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl 38755350 DPTGDQVRQBRVOK-BJMVGYQFSA-N 364.228 4.822 0 40 FJAB Cc1ccc(OC(=O)c2nc(-c3ccccc3)oc2C)c2c1[C@@H](C)CC2=O 40034382 NFVMNZOZALTEQC-ZDUSSCGKSA-N 361.397 4.868 0 40 FJAB O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[C@@H]1c1cccs1 48138305 VLDJBXSNOUVESS-QGZVFWFLSA-N 359.470 4.856 0 40 FJAB COc1ccc(C[C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48301324 NAWIYSDGYYAMOQ-KRWDZBQOSA-N 354.475 4.619 0 40 FJAB COc1cccnc1NC(=O)/C=C/c1ccc(-c2ccccc2F)s1 69419445 MABXCUPHIHKDKU-PKNBQFBNSA-N 354.406 4.610 0 40 FJAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)cc1 71416007 JGHYJQLGYHRCBM-KRWDZBQOSA-N 368.285 4.776 0 40 FJAB Cc1ccc(-c2noc(CCCN3CC[C@H](c4ccccc4)C3)n2)cc1F 84185405 YZVTXPZIXDSYOV-IBGZPJMESA-N 365.452 4.606 0 40 FJAB CCCc1nc(C)sc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 95476214 SZSXTELVRXEZGT-UHFFFAOYSA-N 365.502 4.815 0 40 FJAB c1ccc(SCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193936 VUADNWGBSJLQMT-UHFFFAOYSA-N 364.455 4.891 0 40 FJAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccnc(F)c1 97108961 ZMSRMVMONDDEPB-GOSISDBHSA-N 367.468 4.583 0 40 FJAB CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(C(C)(C)C)cc3)C2=C(O)C1 102859355 OJPAWJNWCUDFGW-SFHVURJKSA-N 350.466 4.883 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1 222947670 BMRHRQZAOVOACM-LJQANCHMSA-N 357.519 4.510 0 40 FJAB CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc2c(c1)CCCC2 223049726 IDJMKDQWZSYRPQ-OAQYLSRUSA-N 371.546 4.920 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCc2ccc(Cl)cc2)cc(C)c1Cl 224137103 XXIYAESOWRBCHI-CQSZACIVSA-N 366.288 4.736 0 40 FJAB COc1ccc(OC)c(NC(=O)CCc2c(Cl)cccc2Cl)c1 225345090 IZYVJYOGIPQLAT-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB Cc1cccc(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)c1 225391399 WFXULFRQNYKIDR-UHFFFAOYSA-N 352.425 4.933 0 40 FJAB CCOc1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 225862279 YUIGQFCFZNSCEB-UHFFFAOYSA-N 370.518 4.850 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2(CC)CCCC2)cc1Cl 225866752 IJEVYQGBXZHHOU-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 226267361 OXZBSQMTLXHDLO-UHFFFAOYSA-N 367.493 4.690 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)S1 260788381 ZOFUXRDQWDZBGP-VOBQZIQPSA-N 361.470 4.931 0 40 FJAB COc1ccc(CCC(=O)N[C@H](c2ccsc2)c2cccs2)cc1 390826083 BBWNBBZOGIBCKL-LJQANCHMSA-N 357.500 4.657 0 40 FJAB Cc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 517364405 HYVVAOCBNNGPBS-KRWDZBQOSA-N 368.235 4.655 0 40 FJAB O=C(NCc1cncc(C2CC2)c1)NC(c1ccccc1)c1ccccc1 575621394 WTVDDTVADJCVPN-UHFFFAOYSA-N 357.457 4.548 0 40 FJAB Cc1c(NC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)cccc1-c1ncco1 580526871 OONIQYGXMBLJIW-SFHVURJKSA-N 362.433 4.660 0 40 FJAB COc1ccc(OCc2nc3ccccc3n2Cc2cccc(C)c2)cc1 1473100 VGJXNTFDHJZEJC-UHFFFAOYSA-N 358.441 4.981 0 40 FJAB COc1ccccc1[C@@H]1O[C@@H]1C(=O)c1ccccc1OCc1ccccc1 2556187 RFEKIDXYKPEWHX-XZOQPEGZSA-N 360.409 4.597 0 40 FJAB Cc1nc(-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)s2)cs1 3078802 HFFAOXHKPOGMCP-UHFFFAOYSA-N 371.892 4.601 0 40 FJAB COc1ccc(OCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3429532 PIRUNAKUJFRINW-UHFFFAOYSA-N 353.340 4.512 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cccs2)o1 3475157 VDBYXZSZHUKGPD-UHFFFAOYSA-N 373.503 4.961 0 40 FJAB Cc1ccc(C)c(SCC(=O)OCC(=O)c2cc3ccccc3o2)c1 3515777 DVJKSMKIYRHRIC-UHFFFAOYSA-N 354.427 4.568 0 40 FJAB CCC(=O)Oc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586171 WYGLLRLMKTUXLY-UHFFFAOYSA-N 364.353 4.530 0 40 FJAB biogenic C[C@H](c1ccccc1)[C@@H](CC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 4602055 GOONKHBSKADUIL-BXUZGUMPSA-N 366.244 4.827 0 40 FJAB O=C(CSc1ccc2ccccc2c1)Nc1nnc(-c2ccccc2)o1 4886508 KOLQLQYNGOHMNR-UHFFFAOYSA-N 361.426 4.621 0 40 FJAB CCCCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 5235917 JHTLLURPSHHWOV-INIZCTEOSA-N 365.452 4.886 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ncnc2ccccc12 5750802 ZZWTYDFYGDZIBP-UHFFFAOYSA-N 363.461 4.894 0 40 FJAB COC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 6027169 XHMZZXVOGKSBNC-UHFFFAOYSA-N 355.246 4.589 0 40 FJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)oc2c1 6305059 QNXGWLJSGLPGGY-UHFFFAOYSA-N 371.396 4.706 0 40 FJAB O=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 6495505 HBXVOBMDLIWFMI-FPLPWBNLSA-N 371.849 4.517 0 40 FJAB CCC(=O)Nc1cccc(NC(=O)COc2ccc([C@H](C)CC)cc2)c1 7073108 TXCRMAWMHIHRJY-OAHLLOKOSA-N 354.450 4.566 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 7929413 YYSAFXLEWBAHTG-OAHLLOKOSA-N 371.864 4.730 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(Cl)cc1 8291115 GMNHCAIKSZQLNI-LBPRGKRZSA-N 360.866 4.548 0 40 FJAB Cn1cc([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 9355459 ZILXQWJRWGNWFR-HSZRJFAPSA-N 352.437 4.924 0 40 FJAB COc1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 9668214 CCIDIVYTDFZEGR-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 10543915 NVOVMQAYTNMAAL-GFCCVEGCSA-N 358.290 4.650 0 40 FJAB COc1cccc(C2(NC(=O)c3nsc(Cl)c3Cl)CCCC2)c1 12143083 FGQNUDORCFDPQO-UHFFFAOYSA-N 371.289 4.658 0 40 FJAB Cc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C 12912873 XMIMAHPSMAEFCR-UHFFFAOYSA-N 350.487 4.933 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1Cl 14199076 RYWLFBAHGKSFNI-UHFFFAOYSA-N 353.230 4.640 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@H](C)[C@@H](C)C3)sc2c1 15318838 MGGCOHQHXRYZCS-SOUVJXGZSA-N 374.506 4.691 0 40 FJAB c1ccc(N/N=c2/c(=N/Nc3ccccc3)c3cccc4cccc2c43)cc1 17949629 GBXHWTQWOXMXIC-LMCGJEQXSA-N 362.436 4.724 0 40 FJAB CCN(CC)CCN[C@@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 19364995 FXRALHNHAFKMSP-DEOSSOPVSA-N 350.550 4.781 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(F)(F)F 19933847 NEGUMOVACXDFLI-MRXNPFEDSA-N 353.340 4.510 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 20044736 CKDJRJRBAOBMFZ-CYBMUJFWSA-N 362.267 4.979 0 40 FJAB COc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)c1 20672257 GHJQGFSSYSWERN-ZDUSSCGKSA-N 365.408 4.529 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(F)c1 21580280 ONLQMHWNPBVKOT-UHFFFAOYSA-N 361.376 4.630 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@]3(C)CC3(Cl)Cl)n2c1 22191560 YGXDWUQIXLVITH-SFHVURJKSA-N 374.271 4.832 0 40 FJAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccs1 22197117 CCJKZKZBFFFXHN-UHFFFAOYSA-N 362.248 4.701 0 40 FJAB CC(=O)c1sc(NC(=O)c2cc(F)ccc2F)nc1-c1ccccc1 22572998 IPFQVVFVFPFWSN-UHFFFAOYSA-N 358.369 4.543 0 40 FJAB COc1ccc2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1 25950153 VVNKYTMFSXHQOA-UHFFFAOYSA-N 360.335 4.823 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)cc1 30850648 MPLPJTIKZDYQIC-OPAMFIHVSA-N 363.457 4.883 0 40 FJAB C[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)c1c[nH]c2ccccc12 32608665 NRUVENSQFPKLJA-JTQLQIEISA-N 360.508 4.593 0 40 FJAB C[C@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1ccc2c(c1)OCO2 32889200 USSGOXXRIJVTME-INVDCPGHSA-N 355.478 4.589 0 40 FJAB Cc1cccc(C)c1OCCn1c(CCC(=O)O)ccc1-c1ccccc1 33737459 LEJZHAXRJRDJRZ-UHFFFAOYSA-N 363.457 4.868 0 40 FJAB Cc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ccccn4)c23)cc1 36618403 YRUOTBDHZKLLNS-UHFFFAOYSA-N 370.412 4.723 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1CC 38500935 IDHCVNQOLKHTHO-UHFFFAOYSA-N 367.424 4.615 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(C)cc(C)c1 38501001 BCBYQWDPVXQWAA-UHFFFAOYSA-N 367.424 4.669 0 40 FJAB Cc1nc(Sc2ncnc3ccsc23)c2c3c(sc2n1)CCC3 40018046 BYBLALATOWAWTQ-UHFFFAOYSA-N 356.501 4.644 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 40056853 LNPHUQVNQJCIHW-MRXNPFEDSA-N 359.429 4.511 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)OC 44839845 PYIPRGCFRWHBEQ-INIZCTEOSA-N 363.866 4.636 0 40 FJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 46078400 CUEUYPBWUMIETA-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB O=C(/C=C/c1cscn1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 50357272 OSJAFUKAJJRDGZ-UCFODXPJSA-N 370.424 4.535 0 40 FJAB CCc1cccc(C)c1NC(=O)CNC1(c2ccc(OC)cc2)CCCC1 58441895 MHTVQTCEMXACKK-UHFFFAOYSA-N 366.505 4.564 0 40 FJAB FC(F)(F)c1ccnc(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)n1 60875057 UKYSGHQAGWWTFI-UHFFFAOYSA-N 371.362 4.709 0 40 FJAB O=C(c1cccc2ccccc12)N1CCC(CSc2ccccn2)CC1 85472307 HSVDQWYMCVZNRT-UHFFFAOYSA-N 362.498 4.879 0 40 FJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 108056758 CRBMVHPMVBFNGJ-UHFFFAOYSA-N 364.470 4.796 0 40 FJAB O=C(c1cnc(-c2ccco2)s1)N1CCCCC[C@@H]1c1ccncc1 171450297 NWPCSKWQGRKYLT-OAHLLOKOSA-N 353.447 4.556 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 222960225 CVPANAVELPWVQS-UXHICEINSA-N 370.566 4.853 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223011251 IGMDSCYUPQQEFJ-HXUWFJFHSA-N 357.881 4.865 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(C)c1 223114706 HKJLLLUODMFOAS-KDOFPFPSSA-N 361.869 4.692 0 40 FJAB COc1cc(C=O)cc(CSC)c1OC(=O)c1ccc(C(C)(C)C)cc1 226288735 IHWCZPSOCXIUBQ-UHFFFAOYSA-N 372.486 4.887 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(C4CC4)c3C)N21 260756128 DOGKQYFCXVLMDF-YSGRDPCXSA-N 366.534 4.814 0 40 FJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCCOc1ccccc1 409095097 BKPKRYULZAZNJA-UHFFFAOYSA-N 367.518 4.696 0 40 FJAB CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CC(C)C)c1cnn(CC)c1 1531110995 WWGDWZDKAWIPQP-HXUWFJFHSA-N 371.525 4.873 0 40 FJAB O=C(NCc1cccc(Oc2cccc3ccccc23)c1)c1ncccc1O 1556550754 DPVZAYSPPWHFPE-UHFFFAOYSA-N 370.408 4.663 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1I 705679 VMUJFZYFKUZPBP-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB CC(C)CN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1 1356897 MLICIVRYBPNJFU-UHFFFAOYSA-N 372.881 4.556 0 40 FJAB O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1 1643024 DGGPBBHDUMVWOZ-UHFFFAOYSA-N 364.404 4.792 0 40 FJAB COC(=O)[C@@H](CC(C)C)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 2139601 SCFBNWNMNCWQLN-HXUWFJFHSA-N 374.477 4.657 0 40 FJAB biogenic O=C(c1cc(Cl)nc(Cl)c1)N(Cc1ccccc1)Cc1cccnc1 2556142 KZBPCQAIHPNEKK-UHFFFAOYSA-N 372.255 4.626 0 40 FJAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1 2622334 MUNACVSYOWSWQM-UHFFFAOYSA-N 368.791 4.972 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccccc4)N(C)C)c23)C1 3285400 CVERDUYFQPGPKY-YOEHRIQHSA-N 366.534 4.531 0 40 FJAB O=C(c1ccc(Br)cc1)N(c1nccs1)C1CCCCC1 3298858 RHOWWUDGELDLLT-UHFFFAOYSA-N 365.296 4.885 0 40 FJAB Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3ccccc3)c2n1 3765454 KYWZXDWIYFRCQK-UHFFFAOYSA-N 374.513 4.793 0 40 FJAB C=CC/N=c1\scc(-c2cccc(Cl)c2)n1/N=C(\C)c1ccncc1 5445280 ICWLKRVWTVQWCZ-ABLXZICASA-N 368.893 4.624 0 40 FJAB CC(C)(C)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 5477547 RLBBDQJPOGCLAL-DKUDOZJNSA-N 360.501 4.621 0 40 FJAB Cc1cccc(C)c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 5612274 NVHZVMMKBZLPDO-UHFFFAOYSA-N 373.452 4.617 0 40 FJAB C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CCC[C@@]2(C)COc1ccc2ccc(=O)oc2c1 5747369 MZSKOLFPMYKYCT-JWDANJKUSA-N 368.473 4.984 0 40 FJAB O=C(CCCCc1nc2ccccc2s1)Nc1nc2ccccc2[nH]1 6657671 NOHPRTIRZPIQTG-UHFFFAOYSA-N 350.447 4.524 0 40 FJAB CCc1ccc(OCc2nnc(SCc3ccc(Cl)cc3)n2C)cc1 6709543 RNUVMSDTTWCHED-UHFFFAOYSA-N 373.909 4.902 0 40 FJAB c1csc([C@@H]2c3ccsc3CCN2Cc2cn3ccccc3n2)c1 7000677 CABSHKJDZYPSQA-IBGZPJMESA-N 351.500 4.605 0 40 FJAB CCCCc1c(C)nc2nc(C(c3ccccc3)c3ccccc3)nn2c1O 8737984 IDWUWDLWWGQYBS-UHFFFAOYSA-N 372.472 4.661 0 40 FJAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C)cc3C)n2)cc1 8748804 HNNWUCAOJCODCO-UHFFFAOYSA-N 364.470 4.811 0 40 FJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c1 8917677 RGOZEXJPNLSPQF-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cc12 10137849 IHSKAJIKHABQKY-MRVPVSSYSA-N 368.289 4.741 0 40 FJAB COc1ccc(SCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 10219552 GYYGJKWIXGOPNQ-UHFFFAOYSA-N 362.451 4.565 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 12783646 SSNJGFAEJSKDMU-SNVBAGLBSA-N 364.442 4.570 0 40 FJAB CCCCN(C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 12794967 HMVNEHWBWCQLNA-UHFFFAOYSA-N 357.841 4.658 0 40 FJAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1Cl 14091388 IMJOSXGSABFDHR-UHFFFAOYSA-N 361.873 4.974 0 40 FJAB Cc1nn(CN2CCc3sccc3[C@H]2c2cccs2)c(=S)s1 14181830 CERXTKZRIUXYMH-AWEZNQCLSA-N 365.574 4.711 0 40 FJAB Cc1ccc([C@]2(O)c3cccc4cccc(c34)[C@]2(O)c2ccc(C)cc2)cc1 17379593 HBACSMCHIMYSID-WMPKNSHKSA-N 366.460 4.942 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 17446822 TYOWKMWZPLPVSF-HNNXBMFYSA-N 366.848 4.732 0 40 FJAB COCCOc1ccccc1CNc1ccccc1OCc1ccccc1 19738498 YKGJHWAHVLASDR-UHFFFAOYSA-N 363.457 4.903 0 40 FJAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 20447910 IANRJIRQIMJLFO-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(C(C)C)cc1 20492337 ZUOOTFKNVKDXPX-LJQANCHMSA-N 359.897 4.980 0 40 FJAB CN(Cc1cccs1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 31347806 WXUGIZOVKBSMSZ-UHFFFAOYSA-N 369.873 4.905 0 40 FJAB O=C(NCc1cccc(OCc2ccccn2)c1)Nc1cccc(Cl)c1 40105480 GAXMNPJEXUWJKR-UHFFFAOYSA-N 367.836 4.636 0 40 FJAB C[C@H](NC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1 40135599 PNXWFHLFBKUQDZ-KKSFZXQISA-N 363.436 4.713 0 40 FJAB CC[C@@H](C)[C@@H](NC(=O)CSc1ccccc1C)c1nc2ccccc2[nH]1 40146178 MAPJHDPXQXFZKP-JLTOFOAXSA-N 367.518 4.867 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(F)cc1 44934268 PAVYWOMSEQVXNO-QGZVFWFLSA-N 354.469 4.693 0 40 FJAB COc1ccc2oc(C)c(C(=O)Nc3nc4ccc(F)cc4s3)c2c1 46086129 BBMWCRSAIKXBET-UHFFFAOYSA-N 356.378 4.751 0 40 FJAB Cc1cccn2cc(-c3ccc(NC(=O)CCc4ccccc4O)cc3)nc12 48344050 YPILRJMTQKZAPP-UHFFFAOYSA-N 371.440 4.587 0 40 FJAB O=C(Nc1ccc2ccccc2n1)c1ccccc1OCc1cscn1 67184506 FRZVWSPIPPKLCB-UHFFFAOYSA-N 361.426 4.523 0 40 FJAB CN(Cc1ncc(-c2ccccc2)o1)Cc1ccc(Br)s1 69450763 HOCKAUKKDOKHPQ-UHFFFAOYSA-N 363.280 4.798 0 40 FJAB c1ccc(-c2nc(N3CCCC[C@@H]3c3ncc[nH]3)c3ccccc3n2)cc1 72313932 KHDZRKGSCOQFNT-LJQANCHMSA-N 355.445 4.752 0 40 FJAB Cc1oc(-c2ccco2)nc1CC(=O)N1c2ccccc2S[C@@H](C)[C@H]1C 75106181 XEKZKEZMZSYPMV-OCCSQVGLSA-N 368.458 4.701 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1 89641064 DXBZATBYQGKJIZ-PKOBYXMFSA-N 357.519 4.785 0 40 FJAB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cc1ccccc1Cl 102713798 YYMPVOCFWYUTQL-UHFFFAOYSA-N 363.848 4.963 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC(C)C)cc1 113954893 WXHJQTFCSUMVGP-SFHVURJKSA-N 361.869 4.601 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1-c1cn2ccsc2n1 206892952 XUGAHZLHKRGCQW-JXMROGBWSA-N 363.417 4.854 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OC(C)C)cc1)CC(C)(C)O2 218985048 KUQSAMQZFSQZNL-IBGZPJMESA-N 353.462 4.814 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 219326708 KRUDPVTYPZJKAM-OAQYLSRUSA-N 373.468 4.519 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(SCC(C)C)s1 223753437 IUWXSLDJGRUGOJ-UHFFFAOYSA-N 373.503 4.700 0 40 FJAB COc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224976982 BOVBYQFXPKVYCF-UHFFFAOYSA-N 359.469 4.654 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1 225351896 YCAVBWROLIEXJD-PKOBYXMFSA-N 355.478 4.655 0 40 FJAB COc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)c2cccnc12 225463183 XGUYYGBGOYNJKL-KRWDZBQOSA-N 363.486 4.607 0 40 FJAB Cc1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ccc1Br 225471988 XWQUUHVALXEKDD-NSHDSACASA-N 367.287 4.944 0 40 FJAB CC(C)Oc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1 225524616 BSGMOIPKBAWHME-UHFFFAOYSA-N 358.507 4.748 0 40 FJAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 225870136 LDGKFFWJPXDTKW-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 226268299 PYMBKMAHMNKIKQ-UHFFFAOYSA-N 367.493 4.546 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 408700135 BDVPJTQGYLNQED-UHFFFAOYSA-N 373.396 4.638 0 40 FJAB CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1O 409131538 JRYDIIUKPNKYGY-UHFFFAOYSA-N 350.256 4.782 0 40 FJAB Cc1onc(C2CC2)c1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 658466008 YLDISVTXXPNHAY-OAHLLOKOSA-N 360.457 4.811 0 40 FJAB Cc1ccc(CN2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 2037989146 XEIVWYQUJUIIEP-JOCHJYFZSA-N 353.485 4.553 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br 674485 OMEJPKRAABXJLO-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC1CCCCC1 1353694 UONXNEYFDLXDIZ-UHFFFAOYSA-N 354.425 4.938 0 40 FJAB COc1ccc(CCOC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 1426308 HJXOQWDRDUDCRN-UHFFFAOYSA-N 370.232 4.802 0 40 FJAB CCCCc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 1909317 PYRQRGWGAXKFEZ-UHFFFAOYSA-N 362.267 4.809 0 40 FJAB Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1 2236145 GKRLWIMTUGTENB-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB FC(F)Oc1ccc(-c2cn3cc(Cl)ccc3n2)c(OC(F)F)c1 3264230 HNJSLZRLBCKWTN-UHFFFAOYSA-N 360.694 4.858 0 40 FJAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 4579396 SAWPYZWYHSTLAQ-MHWRWJLKSA-N 358.850 4.754 0 40 FJAB CCOc1ccccc1-c1nn2c(-c3cccc(Cl)c3)nnc2s1 4664916 IJCBPDJBDAPACO-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccccc1F 4854319 RBZGRCDTXHHKHG-LJQANCHMSA-N 371.362 4.543 0 40 FJAB Cc1cccc(C)c1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146677 YLBYSJSUOCYQPP-UHFFFAOYSA-N 361.470 4.861 0 40 FJAB O=NN(C1CCCCC1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 5279731 DNDCAXHLEYVGFX-TZIWHRDSSA-N 350.418 4.688 0 40 FJAB O=C(Nc1ccc(Br)cc1Br)C1CCCCC1 5426811 MPDWRUXRPUFVKF-UHFFFAOYSA-N 361.077 4.730 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1Cl 5689427 WGUSJIUPGHWDDX-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB CCc1ccc(C(=O)[C@H](C)Sc2nncn2-c2cccc(Cl)c2)cc1 5891393 RJRFUSZQIGFDAB-ZDUSSCGKSA-N 371.893 4.847 0 40 FJAB Cc1csc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n1 7039101 NBTKRQNSIBYOHR-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)o1 8876928 UPRGRQKZROEHAH-MFKMUULPSA-N 374.289 4.531 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Cl)s2)cs1 10105342 QODRJCRBIYBNNI-UHFFFAOYSA-N 366.870 4.903 0 40 FJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cccc(Cl)c1 10542691 HEDGXCWJBKIFFF-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)Nc3cc(C)no3)ccc21 11154447 YOPHLAPRDQJOMX-CQSZACIVSA-N 362.433 4.550 0 40 FJAB Cc1ccc(-n2cnnc2SCc2csc(-c3ccco3)n2)c(C)c1 12607662 XASOPTREDVYMBW-UHFFFAOYSA-N 368.487 4.893 0 40 FJAB Cc1nc(S[C@H](C)C(=O)c2ccccc2)c2c3c(sc2n1)CCC3 12692102 WOOGPSDKOGCBJX-LLVKDONJSA-N 354.500 4.852 0 40 FJAB CCCCCCNC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 12788214 VUODAAKCMMHLKD-UHFFFAOYSA-N 361.489 4.909 0 40 FJAB O=C(O)CCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 12979793 LLKYDWLCSDFBOU-UHFFFAOYSA-N 365.882 4.833 0 40 FJAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Br)cc1 13007454 KHBUVVCCRAHLSQ-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)Nc3cc(C)on3)ccc21 28908468 GPDODKAMHYGVKB-CQSZACIVSA-N 362.433 4.550 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1ccccc1 32622979 HVQQNGFPABIXAR-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1C 35289599 IGOBHQGKBSIGQN-GOSISDBHSA-N 371.868 4.592 0 40 FJAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)s1)OCc1csnn1 36391899 JVFPWGKQODEQTJ-SOFGYWHQSA-N 362.863 4.677 0 40 FJAB C[C@H](NCc1csc(C(C)(C)C)n1)c1ccc(NC(=O)C2CC2)cc1 58168266 GIWVYGFROYZRGQ-ZDUSSCGKSA-N 357.523 4.640 0 40 FJAB Clc1ccc2nc(CNc3ccccc3OC[C@@H]3CCCCO3)cn2c1 67959741 WLYBYVRZDRFHIT-KRWDZBQOSA-N 371.868 4.548 0 40 FJAB O=C(c1ccco1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396367 IQENAXQLNOQHRJ-KRWDZBQOSA-N 371.440 4.843 0 40 FJAB COc1ccc(-c2nc(C)sc2C(=O)Nc2ccc3cc[nH]c3c2)cc1 72402673 HEBXTDMKQKBKHD-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB O[C@H](CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 109010641 KWMNCKCOOLDATE-MAUKXSAKSA-N 372.921 4.863 0 40 FJAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccnc1 211132147 AXVBNKFHZYNOHO-UHFFFAOYSA-N 373.441 4.596 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059157 FRJVNTYVBIVBHQ-PBHICJAKSA-N 373.880 4.834 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC(C)C)c3)N21 222663563 LIIIYVMWBZEOHR-NSISKUIASA-N 367.518 4.848 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223246190 WSJJCDRMVMMNAJ-AOMKIAJQSA-N 351.490 4.773 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1Cl 223660652 BXUJKHCGOKXRHU-UHFFFAOYSA-N 365.882 4.553 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 224269363 MNVWFBKBWRVMNK-KRWDZBQOSA-N 367.474 4.618 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 224288466 FHHHYMXJRPRSNH-PMACEKPBSA-N 363.486 4.777 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1CSc1ccc(C)cc1 224333534 WKZSFDCFKKIWSC-UHFFFAOYSA-N 355.503 4.968 0 40 FJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1 224365857 PIUSGZXIVLRXPX-UHFFFAOYSA-N 353.462 4.681 0 40 FJAB Cc1ccc(SCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 224683363 WEGLXQVIOMZISX-UHFFFAOYSA-N 357.519 4.714 0 40 FJAB COCCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409130050 NAPIJPQIROECCR-GHRIWEEISA-N 371.483 4.521 0 40 FJAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccccc3)c12 409134472 TWMYFHCELKSSLE-WQRHYEAKSA-N 362.454 4.576 0 40 FJAB O=C(NCc1ccc(-c2cccs2)o1)c1ccccc1C(F)(F)F 575609329 STRCHGNPYPQRQA-UHFFFAOYSA-N 351.349 4.957 0 40 FJAB Cc1cc2ccccc2nc1SCC(=O)Nc1nc2c(s1)CCCC2 902895 BYPQWTUEFMOJHO-UHFFFAOYSA-N 369.515 4.609 0 40 FJAB Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(Cl)cc1)OCO3 929868 QQIZZFPYTZZQJK-UHFFFAOYSA-N 371.845 4.900 0 40 FJAB CCOc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)[C@H](C)C2=O 940948 XTTBOBICMQPKIB-WYRIXSBYSA-N 374.820 4.558 0 40 FJAB biogenic Cc1ccc(S(=O)(=O)[C@H]2c3ccccc3Oc3ccc(C)cc32)cc1 948674 FNVPLENSODOADJ-NRFANRHFSA-N 350.439 4.972 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1C 1342919 BROGAPCKTHNFDR-UHFFFAOYSA-N 353.491 4.665 0 40 FJAB Cc1cccc(C(C)(C)C)c1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 1624589 PPTNRAQCNBPYMS-KRWDZBQOSA-N 368.502 4.734 0 40 FJAB COC(=O)CCc1sc(NC2CCCCC2)nc1-c1ccc(OC)cc1 3267836 FLYURFLDYAXJMJ-UHFFFAOYSA-N 374.506 4.669 0 40 FJAB aggregator Cc1ccc(C)c(C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)c1 3306004 OCQYVAMHAAIMHW-UHFFFAOYSA-N 363.379 4.602 0 40 FJAB COc1cc2c(cc1NC(=O)[C@H](C)N1CCCCCC1)oc1ccccc12 3345477 XAERRZVTCOBAHM-HNNXBMFYSA-N 366.461 4.798 0 40 FJAB COCCNc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 3452199 YVXDVPXUYHJKQH-UHFFFAOYSA-N 371.531 4.531 0 40 FJAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccccc1-c1ccccc1 3505531 IMOVICMOMPJBDU-HNNXBMFYSA-N 374.469 4.516 0 40 FJAB COC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCCC2 3906854 KKYFPPJAWFYSHA-UHFFFAOYSA-N 360.504 4.531 0 40 FJAB c1csc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)c1 4137818 QYVWNUBWVXRNQH-UHFFFAOYSA-N 359.457 4.954 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4416904 FKDRTPPOFBKQAT-KVWWBZGASA-N 374.521 4.813 0 40 FJAB in-vitro C[C@H]1CN=C(N(C(=O)NCCc2ccccc2)c2cccc(Cl)c2)S1 4785788 IKPJODPYGLLGHC-AWEZNQCLSA-N 373.909 4.590 0 40 FJAB CCOC(=O)[C@@H](c1ccccc1)N(CCCN(CC)CC)c1ccccc1 5422138 PJUVQIWQLTZLSP-JOCHJYFZSA-N 368.521 4.529 0 40 FJAB COc1ccc(-c2nc3cc(NC(=O)Cc4cccs4)ccc3o2)cc1 6296999 OJFQFTLMQPPPJD-UHFFFAOYSA-N 364.426 4.746 0 40 FJAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 6651520 FYEVHQRGMWNDPU-UHFFFAOYSA-N 367.898 4.755 0 40 FJAB CCN(CC)C(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 6710674 PGHNAKXOUTWHNA-UHFFFAOYSA-N 359.882 4.681 0 40 FJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2OC)N3)C1 6934136 SUHAUYMPWRTDQG-ZMZPIMSZSA-N 372.490 4.709 0 40 FJAB CCc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 7670566 COYMKNCKYQUBOK-QGZVFWFLSA-N 366.486 4.685 0 40 FJAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(-c2ccccc2)cc1 8718353 SOABXCPLSFZNAB-UHFFFAOYSA-N 359.429 4.504 0 40 FJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)c1ccccc1 8946155 PFJPHWUHMKJCEF-GFCCVEGCSA-N 355.488 4.705 0 40 FJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc2[nH]cnc2c1 9888795 GNQNOERRKMWSKH-UHFFFAOYSA-N 373.456 4.777 0 40 FJAB Cc1ccc2c(CSc3nnc(C(C)C)n3C3CC3)cc(=O)oc2c1C 10922090 YIRQNMIRHBEFOD-UHFFFAOYSA-N 369.490 4.752 0 40 FJAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cs1 12882766 FGEREIDEZINVRR-HNNXBMFYSA-N 366.486 4.830 0 40 FJAB CCc1ccccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 12905283 AUVLBDUKEQUMLO-UHFFFAOYSA-N 360.442 4.568 0 40 FJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)[C@H](O)CC1(CCCCC1)O3 13682680 CAFHUUPOVJAMRW-GOSISDBHSA-N 356.462 4.963 0 40 FJAB C[C@]1(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1(Cl)Cl 14711646 HSCFRKGRTSLKAQ-OAHLLOKOSA-N 361.700 4.853 0 40 FJAB COc1ccc2cc(-c3cc(C(=O)N(C)OC)c4ccccc4n3)ccc2c1 17793187 LZINEAQMCBDVKD-UHFFFAOYSA-N 372.424 4.697 0 40 FJAB O=C(Nc1c(Cl)ccc2nsnc12)C1(c2ccccc2)CCCC1 20096602 XCWDKLFTOVCBAD-UHFFFAOYSA-N 357.866 4.795 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cn(CC)c2ccc(C)cc2c1=O 22234714 DBKLFFAMPJBTCT-UHFFFAOYSA-N 362.473 4.707 0 40 FJAB CC(C)c1noc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1 22750823 JYHXSKYWUOJRFY-UHFFFAOYSA-N 356.809 4.656 0 40 FJAB O=C(NCc1ccccc1)c1cccc(OCc2cccc3cccnc23)c1 25818160 QJTCIPPUNNWZHZ-UHFFFAOYSA-N 368.436 4.744 0 40 FJAB Fc1ccc(-c2cnc(SCc3cn4cc(Cl)ccc4n3)[nH]2)cc1 26569879 CXNVXCXESIIQJI-UHFFFAOYSA-N 358.829 4.809 0 40 FJAB Fc1ccc([C@H]2CN(Cc3csc(-c4ccsc4)n3)CCO2)cc1 29657585 QBQAHQZCJMBUNL-QGZVFWFLSA-N 360.479 4.584 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(Cl)c1 30755972 OETDAGKWYSELHV-UHFFFAOYSA-N 361.825 4.556 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)CC1 30943901 ICJBHCNIBGPARB-HXUWFJFHSA-N 364.533 4.670 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc(Cl)c3)cs2)o1 31880823 PNRRHVSYZWCNOC-LBPRGKRZSA-N 360.866 4.785 0 40 FJAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)Cc3ccccc3)n2)cc1 32622531 MHFQEXPDEAJMHB-UHFFFAOYSA-N 369.424 4.893 0 40 FJAB Fc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 57731816 SVFQQPZSZOXLGQ-VLCRHTCISA-N 370.899 4.891 0 40 FJAB CCOc1cc(CO)c(Br)cc1OCc1cccc(Cl)c1 95095074 XVNSBJCCUUQPIY-UHFFFAOYSA-N 371.658 4.573 0 40 FJAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC 96037322 SXVYUGFODNKARR-UHFFFAOYSA-N 369.509 4.695 0 40 FJAB CO[C@](C)(CNC(=O)CCSc1ccccc1)c1cccc(Cl)c1 96392540 SIHLKECHXGJFJB-LJQANCHMSA-N 363.910 4.500 0 40 FJAB Cc1ccccc1[C@@H]1CC2=Nc3ncnn3[C@@H](c3ccccc3F)C2=C(O)C1 102614276 KVTBMWMQZFXXBB-SZNDQCEHSA-N 374.419 4.791 0 40 FJAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 106690920 FOXRIMWBORHFBG-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB COC(=O)c1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 222689238 BNSSVSFAZNQUFM-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 223407560 SCBROPTYLMHKIA-INIZCTEOSA-N 353.462 4.759 0 40 FJAB CCOc1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)cc1 225354305 KRYBBKKPCJYEDS-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB Cc1ccccc1CSCCNC(=O)C1(c2ccccc2)CCCC1 225748553 NKQMVMNHQSZBBS-UHFFFAOYSA-N 353.531 4.856 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2C)c1 408699464 UIWHXCCNBPGMJH-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CCc1ncnc(N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1F 1559085642 UBTLXFATRJWDEB-LJQANCHMSA-N 369.415 4.722 0 40 FJAB COc1ccc(CCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)cn1 1624861055 WKQHMSBHRANBEU-PMACEKPBSA-N 366.505 4.502 0 40 FJAB COc1cccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 933866 JWICVHPYSYSTNN-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CC(C)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 1095934 ACGGHTLVGCFQBD-UHFFFAOYSA-N 354.397 4.955 0 40 FJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccncc1 1321910 ALVRCCBQHLJOOS-UHFFFAOYSA-N 368.223 4.755 0 40 FJAB CCC(C)(C)Nc1c(-c2cc3cccc(C)c3[nH]c2=O)nc2ccccn12 1330087 FYKGHKTWVSXRPP-UHFFFAOYSA-N 360.461 4.752 0 40 FJAB Cc1ccccc1NC(=O)Oc1ccccc1C(=O)OCc1ccccc1 1738027 SHGUUBZSRCLWRY-UHFFFAOYSA-N 361.397 4.963 0 40 FJAB Cc1ccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c1 2287013 FXQDFMVIQXAHQE-UHFFFAOYSA-N 356.473 4.879 0 40 FJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccs3)sc21 2429695 HCNUJJVBDCSSLD-UHFFFAOYSA-N 367.499 4.695 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1C 2628795 IPFMNSZGSOGJDX-UHFFFAOYSA-N 360.457 4.696 0 40 FJAB C[C@@H](SC1=NCCS1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3299551 SCHLPQMDACNSBA-ZCFIWIBFSA-N 369.726 4.810 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1C 3346995 HJRCTBNHCHCNBG-UHFFFAOYSA-N 373.865 4.863 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1ccc(Br)cc1 3441626 AOEGEMPNZLPAMC-UHFFFAOYSA-N 350.281 4.797 0 40 FJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ccccc21 4289561 GTQMUOOINKITIT-UHFFFAOYSA-N 359.882 4.749 0 40 FJAB O=C(O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 4889309 IIRJUWJBWJFYHX-UHFFFAOYSA-N 354.189 4.589 0 40 FJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)CCc1ccccc1 6233241 AQLRTFGUYZYJQN-KRWDZBQOSA-N 359.897 4.945 0 40 FJAB c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 6788146 VULRBYOUIRKCHY-UHFFFAOYSA-N 359.498 4.950 0 40 FJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)c1 8654817 TTZMFZMFVHSITP-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CCc1ccc2oc(C(=O)Nc3ccccc3C(F)(F)F)cc(=O)c2c1 8917378 UGCKHQJUCDAGSS-UHFFFAOYSA-N 361.319 4.627 0 40 FJAB COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 9064397 NXVDWMBLTNRWNK-UHFFFAOYSA-N 358.869 4.837 0 40 FJAB Cc1cc(NC(=O)CCc2ccccc2)ccc1NC(=O)c1cccs1 9668168 FGVRYHKWHDIRPT-UHFFFAOYSA-N 364.470 4.880 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 11718691 DKPWJUWHJQMZMP-UHFFFAOYSA-N 371.487 4.718 0 40 FJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 12274731 KEZUWIHLLNIFBN-UHFFFAOYSA-N 369.804 4.947 0 40 FJAB C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1cccc(F)c1 12982858 RLQAMJFBMGJGCR-LBPRGKRZSA-N 370.346 4.627 0 40 FJAB COc1ccccc1[C@H](C)NCC(=O)N(Cc1ccccc1)c1ccccc1 13020121 CWJWVXOHUQSBAT-IBGZPJMESA-N 374.484 4.579 0 40 FJAB COc1ccc(NC(=O)c2sc(-c3ccccc3F)nc2C)cc1OC 13691319 YLVVZAMESZFKER-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 13785633 GLTAMRONJSYAQQ-CZAMWMTLSA-N 362.256 4.641 0 40 FJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1 19817342 PJUICKZCVMAELY-KRWDZBQOSA-N 370.456 4.785 0 40 FJAB FC(F)(F)c1nnc2sc(-c3ccc(-c4ccc(Cl)cc4)o3)nn12 19910148 COSXJXFJZJPHPP-UHFFFAOYSA-N 370.743 4.785 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(C[C@H](C)c1ccccc1)CO3 20610049 JUTAMKMAPXBSOS-HNNXBMFYSA-N 363.457 4.619 0 40 FJAB biogenic Cc1cc(C)cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 21873853 IDYDEFANPMKKBH-UHFFFAOYSA-N 357.816 4.842 0 40 FJAB CCn1c(SCc2ccc(Cl)cc2)nc2c([nH]c3ccccc32)c1=O 22628023 SNLBEJIFZAYJNX-UHFFFAOYSA-N 369.877 4.843 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc2c1 23054991 YHDIHRJQTYOPLQ-MRXNPFEDSA-N 372.468 4.792 0 40 FJAB Cn1ccnc1[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(F)c1 23778704 IPVKJGKNWLKWRX-KVWWFHCMSA-N 371.500 4.617 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)no2)cc1F 27579835 QHDVQVPVOLWSPB-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2F)o1)c1ccccc1 27983544 JMRFPUDWPWHWEV-CYBMUJFWSA-N 357.356 4.628 0 40 FJAB Cc1ccc(C(=O)C2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)c(C)c1 40086191 XUTXKLKSXLXRLW-MRXNPFEDSA-N 369.509 4.640 0 40 FJAB Cc1c(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)oc2c1C(=O)CCC2 40130400 RCHJYMKQHJJGQB-LLVKDONJSA-N 365.351 4.617 0 40 FJAB O=C(c1cccc(F)c1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCC2 45933206 CHPFTDNRRWCADV-UHFFFAOYSA-N 370.424 4.508 0 40 FJAB Cc1cc(Br)cc(Cl)c1NC(=O)[C@]1(C)CC1(Cl)Cl 48801388 YOBQFQKVVZUHTR-NSHDSACASA-N 371.489 4.933 0 40 FJAB CCn1c(SCCOc2ccccc2)nnc1-c1ccc(Cl)cc1 58100048 SCXRNLXVWAWCFD-UHFFFAOYSA-N 359.882 4.790 0 40 FJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc2c(c1)OCCO2 66012431 MLIYZWQPNPXOIV-HNNXBMFYSA-N 370.518 4.501 0 40 FJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)Nc1c(F)cccc1F 70655596 ULOUMHJZZPOEJX-UHFFFAOYSA-N 357.385 4.831 0 40 FJAB CC1=Nc2c(c(C)nn2-c2ccc(C(=O)O)cc2)[C@H](c2ccsc2)S1 72406462 QBNOZKWTJJECCU-INIZCTEOSA-N 369.471 4.827 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@@H](CCCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100740697 WJHCKHVBUITAAF-XLIFZOOWSA-N 351.531 4.936 0 40 FJAB biogenic Cc1cccc(CSCC(=O)Nc2cccc(Br)c2)c1 222734991 HACSVKSWSIQUEZ-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223083808 HKPOITAAGKHOAB-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 223417633 LJKFKIROVDLCIH-UHFFFAOYSA-N 354.302 4.835 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224877890 SBRRJKRWMDEFBA-ZDUSSCGKSA-N 353.340 4.608 0 40 FJAB CCCC[C@H](CC)CNC(=O)c1ccc(C)cc1I 225029535 BULXZGUBENHQAC-ZDUSSCGKSA-N 373.278 4.546 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCC1(CC1)CO2 225365399 IDAJENBWUCJRED-UHFFFAOYSA-N 364.228 4.797 0 40 FJAB S=C(NCCCSCc1ccccc1Cl)Nc1ccccc1 225605503 GCOWPYWTXUNWRW-UHFFFAOYSA-N 350.940 4.950 0 40 FJAB CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2o1 253473264 TXFVYRWHWLQXJQ-SFHVURJKSA-N 369.486 4.810 0 40 FJAB Fc1cccc(Cc2ccc([C@H]3CCCCN3Cc3ccncc3)cn2)c1 257298971 RODIEXREHJLNOY-HSZRJFAPSA-N 361.464 4.934 0 40 FJAB O=C(Sc1nnc(COc2ccccc2)o1)c1ccc2ccccc2c1 408623635 RJIIHKZTPZABIY-UHFFFAOYSA-N 362.410 4.734 0 40 FJAB CC(C)Oc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 408681843 UKLYZGYTDVNRJZ-UHFFFAOYSA-N 363.910 4.790 0 40 FJAB Cc1cccc(COc2cccc(NC(=O)CCc3cncs3)c2)c1 550629535 ULHCOKJBYNSKTP-UHFFFAOYSA-N 352.459 4.602 0 40 FJAB O=C(CCc1cncs1)Nc1ccc(OCc2cccc(F)c2)c(F)c1 559554676 RNGPYDCSTAJHCF-UHFFFAOYSA-N 374.412 4.572 0 40 FJAB O=C(NCc1cccc(Oc2ccccc2)c1)c1cccc2cccnc12 1125075079 DUKIDKAQTVRORX-UHFFFAOYSA-N 354.409 4.957 0 40 FJAB COc1ccc(C(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)cc1Cl 1307255678 LMLZYMTZTJMPLV-NSHDSACASA-N 360.866 4.897 0 40 FJAB Cc1cccc(O[C@@H]2CCC[C@H](N(Cc3ccccc3)C(C)C)[C@H]2O)c1 1615112562 GLZWCTPVFZMRIZ-YTFSRNRJSA-N 353.506 4.566 0 40 FJAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc32)cc1 883931 GDSRSYZFFCETCF-JOCHJYFZSA-N 373.504 4.639 0 40 FJAB CCC(=O)N(Cc1cc2cc(OC)ccc2nc1Cl)C1CCCCC1 1367820 IEPRZUSRQBZISA-UHFFFAOYSA-N 360.885 4.968 0 40 FJAB C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 1437114 NFAFGZCSZZBINO-JPYJTQIMSA-N 356.469 4.927 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 2734790 NJPMBYPSNSRTHV-BLMSOEDDSA-N 369.461 4.878 0 40 FJAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 2949965 XNSPSDYFRLKQCB-HNNXBMFYSA-N 368.683 4.881 0 40 FJAB C[P@](=O)(Nc1cc(Cl)ccc1Cl)c1nc2c(s1)CCCC2 3176270 MRSIKSVJDWLWLL-HXUWFJFHSA-N 361.234 4.974 0 40 FJAB Cc1cc(SCC(=O)N2CCc3ccccc3C2)nc2c(C)cccc12 3439729 PEOWQJPKGZXSGL-UHFFFAOYSA-N 362.498 4.529 0 40 FJAB CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(C(C)C)cc1 3895780 LZJSLLGUQAGRJW-HXUWFJFHSA-N 358.526 4.860 0 40 FJAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccc(Cl)cc3)c2cc1C 4002602 OFHWHYOJVZAJKT-UHFFFAOYSA-N 363.848 4.710 0 40 FJAB CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 4183587 XSZAZZITHQENPV-UHFFFAOYSA-N 370.543 4.692 0 40 FJAB COc1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)c(OC)c1 4571775 XQADJHNQZIFBPH-GOSISDBHSA-N 366.442 4.861 0 40 FJAB CC1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2C2CCCCC2)CC1 4847716 DOWXVRWRPCGKTB-LJQANCHMSA-N 373.932 4.653 0 40 FJAB Fc1ccccc1-c1n[nH]c(SCc2coc(-c3cccs3)n2)n1 5677093 XHIPQJUXZDKLMZ-UHFFFAOYSA-N 358.423 4.620 0 40 FJAB Clc1ccc(-c2nnc(CSc3ncnc4sccc34)o2)cc1 6115319 CQAAYZUBVHGTGZ-UHFFFAOYSA-N 360.851 4.687 0 40 FJAB O=C(CSCc1c(F)cccc1Cl)N[C@@H]1CCCc2ccccc21 6313808 JQZDYGWLZKDSDH-GOSISDBHSA-N 363.885 4.906 0 40 FJAB COc1ccc(-c2nc(Nc3ccccc3)sc2CCC(=O)O)cc1 6804284 IEFOPUGSFSFSAY-UHFFFAOYSA-N 354.431 4.580 0 40 FJAB Cc1cc(OCCOC(=O)CCC(=O)c2ccc(F)cc2)ccc1C(C)C 7778361 JAXFSQPFHFMSJM-UHFFFAOYSA-N 372.436 4.843 0 40 FJAB CCc1ccc(N2C[C@H](C(=O)Oc3ccccc3[C@H](C)CC)CC2=O)cc1 7929125 CKZREKVUAVNJHF-SJLPKXTDSA-N 365.473 4.721 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164679 UUANKRSXLPFGCL-UHFFFAOYSA-N 350.462 4.573 0 40 FJAB Cc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1C 9196648 KAPNWLITYGBTMB-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB Cc1cccc(C)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10661954 PWWIXSUVTAOCLX-UHFFFAOYSA-N 372.472 4.687 0 40 FJAB COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cn1 12601590 IWUIDIJTMGZLAB-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3cccc(Cl)c3)c2)cs1 12909873 OJAAWFKEWVTJPW-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cnn(Cc2ccccc2)c1 12923233 UMZSUTZZDCGJBU-OAQYLSRUSA-N 373.481 4.512 0 40 FJAB Cc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1 12926591 IRJISFXEZMCUSL-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 14114909 YAEIILVWOUDZAW-INIZCTEOSA-N 360.486 4.847 0 40 FJAB Cc1ccc(OCCNc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 16847545 TXKCKUKOHCOLNK-UHFFFAOYSA-N 367.474 4.503 0 40 FJAB O=C(Nc1cnc(-c2ccccc2)nc1)C(c1ccccc1)c1ccccc1 17741996 PIULAIMAVBWAOU-UHFFFAOYSA-N 365.436 4.914 0 40 FJAB COc1cccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)c1OC 19240098 CRFXVWYOIWJDJZ-MRXNPFEDSA-N 374.531 4.604 0 40 FJAB COc1ccc(OC)c(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c1 19240213 ZNWNCICNVRBRSI-KRWDZBQOSA-N 374.531 4.604 0 40 FJAB CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 20049089 MYVZQBUASHWXPZ-KRWDZBQOSA-N 351.874 4.980 0 40 FJAB Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)n(-c4ccccc4)[nH]c3n2)cc1 20368453 MJHSZJUDVAAPMF-UHFFFAOYSA-N 369.346 4.708 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 23058334 VXVUYFHVGUYBOW-HZPDHXFCSA-N 368.477 4.801 0 40 FJAB CCOc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1 28218964 CBUKRPCSLLDGEH-UHFFFAOYSA-N 371.440 4.736 0 40 FJAB Cc1ccc(C)c(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)c1 28226797 FPTKMYNOEWBSPK-UHFFFAOYSA-N 361.441 4.674 0 40 FJAB O=C(CSCc1ccc(F)cc1)NCCSc1ccc(Cl)cc1 30752701 AHPKVSZCGPZDOC-UHFFFAOYSA-N 369.914 4.621 0 40 FJAB COc1ccccc1C(=O)Oc1ccc2c(-c3ccc(F)cc3)noc2c1 32105025 YZOWBLSJWLPFCM-UHFFFAOYSA-N 363.344 4.862 0 40 FJAB C[C@@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]12 33920773 ORYWHTWXSGORLG-JOQQDXKJSA-N 371.521 4.505 0 40 FJAB CC(=O)c1sc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2CC2)nc1C 36612025 MIBFGAOKHKRCBS-UHFFFAOYSA-N 356.491 4.761 0 40 FJAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1cc2ccccc2o1 39980647 NNKHKZDTKLMARO-JTQLQIEISA-N 362.198 4.825 0 40 FJAB Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)c1 49405241 OLXMLOXEYIZERX-UHFFFAOYSA-N 366.808 4.648 0 40 FJAB Cc1nc(-c2c[nH]c(C(=O)N3CCC[C@@H]3CCc3ccccc3)c2)cs1 57305860 DDCOKGQUAWNKFY-GOSISDBHSA-N 365.502 4.684 0 40 FJAB COc1cccc(NC(=O)CN2CCC[C@H]2c2cccc3ccccc23)c1 60040203 JCDPIBADEZXMBJ-QFIPXVFZSA-N 360.457 4.624 0 40 FJAB CC1=C[C@@H](CNCC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 72320833 ZWQSQNCXZBFYLO-FHWLQOOXSA-N 354.542 4.601 0 40 FJAB biogenic,in-vitro FC(F)COc1ccc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 97105402 SNMDXSQZIAUBBT-SFHVURJKSA-N 357.404 4.544 0 40 FJAB C[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 106619257 XWUDSHKMENVOLK-KBRIMQKVSA-N 352.865 4.725 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)Cc2cc(C)ccc2C)cc1OCC 216359605 ANTVOXPMWMTFIE-QGZVFWFLSA-N 355.478 4.521 0 40 FJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(C)c2C)c1 223107523 CTZWWJVTTCVWSI-STZFKDTASA-N 374.440 4.614 0 40 FJAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(F)cc1 223245087 AEHKIBCMUQDEEN-LLVKDONJSA-N 355.837 4.729 0 40 FJAB COc1ccc(OCCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223443185 IAGYICLQPQCOBH-GOSISDBHSA-N 355.478 4.657 0 40 FJAB Cc1cccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1C 223926655 AORXRVSMNVBIHU-UHFFFAOYSA-N 353.506 4.729 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)s1 224388569 KINCHHFTLYXLIM-ROUUACIJSA-N 369.490 4.768 0 40 FJAB Cc1ccc(SCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225286977 BMMYWLVRGVJTAY-UHFFFAOYSA-N 360.548 4.861 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c2cccnc12 225479586 QUKBQUWZXBBTOF-OAHLLOKOSA-N 365.502 4.908 0 40 FJAB S=C(Oc1c(Cl)cc(-c2ccccc2)cc1Cl)N1CCOCC1 408722695 WDXASGIRKYYAIO-UHFFFAOYSA-N 368.285 4.656 0 40 FJAB CCCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccccc1 409093701 AOPRMVVJRQTLBU-UHFFFAOYSA-N 353.491 4.835 0 40 FJAB CC1(C)CC(=O)c2cnc(SCc3csc(C(C)(C)C)n3)nc2C1 1656714341 TUSAEPAMYOYFGX-UHFFFAOYSA-N 361.536 4.678 0 40 FJAB CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)NCc1cc(-c2ccccc2)no1 1678154156 FJJZOMIGASNHJD-HKUYNNGSSA-N 369.509 4.993 0 40 FJAB O=C(c1ccccc1Br)N(Cc1ccccc1)Cc1ccco1 741292 VOABHZZXLYJFSF-UHFFFAOYSA-N 370.246 4.885 0 40 FJAB CC(C)c1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 1903808 VMFCXCXYYSHBSO-UHFFFAOYSA-N 374.293 4.766 0 40 FJAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1923195 JDTGZHVFMAWMHQ-ABZNLYFFSA-N 364.228 4.577 0 40 FJAB CCOc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 2285787 WEWPDXRINZALQO-GOSISDBHSA-N 360.457 4.666 0 40 FJAB Cc1cccc2cc3c(NC(=O)c4cccs4)nn(CC(C)C)c3nc12 2407721 BVPRIEGVZKWRDZ-UHFFFAOYSA-N 364.474 4.863 0 40 FJAB CCCCNc1nc(SCC(=O)c2ccc(F)cc2)nc2ccccc12 2941576 LFJKGNWSUBSFDA-UHFFFAOYSA-N 369.465 4.956 0 40 FJAB Cc1cc(O[C@@H]2OCCO[C@H]2Oc2ccc(Cl)c(C)c2)ccc1Cl 3171923 KGNARJIRQANLBD-ROUUACIJSA-N 369.244 4.767 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC(=S)NC(=O)c1sc2ccccc2c1Cl 3304771 IOHVPGUCACLZMB-PWSUYJOCSA-N 366.939 4.738 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 4090382 KLWHCMAZRPGELE-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB COc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12 4137644 SQWSXISXTZNXPK-UHFFFAOYSA-N 358.810 4.752 0 40 FJAB COc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 4611267 BKJXHGJFTUZSRB-FOCLMDBBSA-N 354.409 4.565 0 40 FJAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 4898130 POLIIAABYWYIOD-OXJNMPFZSA-N 354.475 4.577 0 40 FJAB CC(C)(C)CC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4923054 OINYTDZVYACDRP-UHFFFAOYSA-N 369.484 4.527 0 40 FJAB COc1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1 5176930 DTGQGXAUHBHAOM-REWPJTCUSA-N 357.409 4.670 0 40 FJAB Cc1c(OCc2ccc(Cl)cc2F)ccc2c3c(c(=O)oc12)CCC3 5235530 RDNMLUPPFNKKJJ-UHFFFAOYSA-N 358.796 4.962 0 40 FJAB Brc1ccc(Nc2ncc(-c3nc4ccccc4o3)cn2)cc1 5338683 FHNOFYXBTNWZHP-UHFFFAOYSA-N 367.206 4.791 0 40 FJAB Cc1cc(C)c(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 6430181 OGDZCAXUDDSMFM-UHFFFAOYSA-N 369.505 4.700 0 40 FJAB O=S(=O)(Nc1cc(Cl)ccc1F)c1cc(Cl)ccc1Cl 6510482 DDAAXCCABCKZMP-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB COCc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)oc2ccccc12 6553424 VDWALQOEHFIKLR-UHFFFAOYSA-N 364.445 4.822 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 6671463 CLOYMXKLSUTVBD-UHFFFAOYSA-N 371.458 4.902 0 40 FJAB Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)c1 6811706 ZMEUVFHJZPPAOE-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB Cc1ccc(C)c(CSc2nc3nc(C)c(Br)cc3[nH]2)c1 6844345 UFXMFWNRMOCYOS-UHFFFAOYSA-N 362.296 4.938 0 40 FJAB CCC(CC)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6852009 UFUNPWSILWTYQN-IBGZPJMESA-N 372.896 4.506 0 40 FJAB Cc1ccc(-c2c(C)sc3nc(CN4CCC(C)CC4)[nH]c(=O)c23)cc1 8344743 GKTQNRLLLLYTKK-UHFFFAOYSA-N 367.518 4.500 0 40 FJAB O=C(/C=C/c1ccccc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868752 JJMCYDPTGHGVAG-XEDBTPMOSA-N 355.865 4.561 0 40 FJAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccco2)cc(C)c1Cl 9204697 MIPXQJWFJSDUEN-UHFFFAOYSA-N 373.836 4.751 0 40 FJAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2cccc3ccccc23)CC1 11008447 LJXMDYXJXXNKBY-UHFFFAOYSA-N 374.440 4.672 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1Cl 11916783 JCUCTVBHXRMSAO-UHFFFAOYSA-N 360.772 4.703 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2cccc(CO)c2)c2ccccc2)c1 12523087 XLWHWJJLSQIOKM-QFIPXVFZSA-N 360.457 4.588 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@@H]2CCCC[C@@H]21 12550377 ZQPVNSBBGSIPQP-UWJYYQICSA-N 359.473 4.820 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@H]2CCCC[C@H]21 12550382 ZQPVNSBBGSIPQP-DYESRHJHSA-N 359.473 4.820 0 40 FJAB C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccc2ccccc2c1 12793202 SLEBBZVXZFMAOH-CQSZACIVSA-N 354.400 4.577 0 40 FJAB CC(C)Cc1ccc(-c2cnc(CCC(=O)Nc3nccs3)o2)cc1 12918454 KMLXPCHAAJHDQF-UHFFFAOYSA-N 355.463 4.568 0 40 FJAB COC(=O)c1ccc(CSCc2nc(-c3ccccc3Cl)no2)cc1 12921711 BCEUOYDBYMGRJJ-UHFFFAOYSA-N 374.849 4.610 0 40 FJAB CCCOc1ccc(OCCSCCC(=O)Nc2ccccc2)cc1 13017188 SRPDNIORZKEZAN-UHFFFAOYSA-N 359.491 4.616 0 40 FJAB NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686823 CMJOSIVOOHGKRB-UHFFFAOYSA-N 361.426 4.620 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 16967289 STMUIMHRAJBOFC-UXHICEINSA-N 365.477 4.624 0 40 FJAB COc1ccc(C)cc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245904 SMQQVSRLGHDLBE-UHFFFAOYSA-N 371.437 4.904 0 40 FJAB O=C(O)C/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 28495896 NFXWEVQBIIJQLY-XFXZXTDPSA-N 361.369 4.913 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 29251792 YUUWKSMLXWMGKD-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1 32716554 AFPLTCCYESTPSF-CQSZACIVSA-N 362.429 4.549 0 40 FJAB Cc1cc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)on1 32932771 CKKLRSVJAISYQM-LJQANCHMSA-N 366.461 4.858 0 40 FJAB C[C@H](NC(=O)CCn1ccc2c(Br)cccc21)c1ccccc1 40285893 WRXSXZYSRARBDE-AWEZNQCLSA-N 371.278 4.671 0 40 FJAB Cc1nc(SCc2sc3ccccc3c2Cl)sc1CC(N)=O 48334032 LVTPXJXLPDXWQS-UHFFFAOYSA-N 368.936 4.640 0 40 FJAB FC(F)(F)c1ccc2nc([C@H]3CCN(CC4CCCCC4)C3)[nH]c2c1 49169085 ODKXVNZMYZIRNB-AWEZNQCLSA-N 351.416 4.951 0 40 FJAB biogenic,in-vitro Cc1ccc([C@@H]2CCCN2C(=O)COCc2ccccc2Cl)cc1C 58081747 WGMALQCGMGBKAQ-FQEVSTJZSA-N 357.881 4.837 0 40 FJAB COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Cl)nc2)cc1 58129248 PPDAYRXFICNNTG-UHFFFAOYSA-N 366.848 4.586 0 40 FJAB Fc1cc(F)cc(NC(=S)Nc2ccc(Br)cc2F)c1 71761062 MOMPVSSEBNAEEA-UHFFFAOYSA-N 361.186 4.675 0 40 FJAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(CN2CCCC2)cc1 84656004 BLDJFAMZOZWCDT-MRXNPFEDSA-N 356.897 4.769 0 40 FJAB COc1ccc(C(=O)[C@H](C(=O)CC(=O)c2ccccc2)c2ccccc2)cc1 97447404 LBSCHRFFCKHVHX-QHCPKHFHSA-N 372.420 4.504 0 40 FJAB Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1NC(=O)C1[C@H]2CCCC[C@H]12 100300117 NWCBYUQVZYGLIH-XSLAGTTESA-N 366.505 4.744 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224132764 WJDSNYVXNNJDDU-ZDUSSCGKSA-N 351.833 4.998 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224611249 AACHHBWXTIUIOZ-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)c1 225711556 TWQGXFXMVCXHCE-IBGZPJMESA-N 370.518 4.918 0 40 FJAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1N 226272538 NQKARCFYRISFQW-UHFFFAOYSA-N 362.273 4.867 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2C)c1 226287896 VQIFNPVXRFXSJG-UHFFFAOYSA-N 356.425 4.716 0 40 FJAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2c3c(cccc13)CC2 226861861 ZJQKXZRMBLRUPK-UHFFFAOYSA-N 360.434 4.859 0 40 FJAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(C)c1O 408867962 LUUCUGMTIPHWTG-SXGWCWSVSA-N 373.861 4.899 0 40 FJAB C[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 514437239 SJHGOZGKCLZNHH-FXAWDEMLSA-N 361.489 4.884 0 40 FJAB CN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc3ccccc23)n1 540896944 VFROZQQMSBKJBA-UHFFFAOYSA-N 374.465 4.941 0 40 FJAB FC(F)(F)c1cc(Cn2ccc(Br)n2)cc(C(F)(F)F)c1 685936383 UWGBFKIADFZZEJ-UHFFFAOYSA-N 373.094 4.732 0 40 FJAB CCCSCc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 1772491244 BRLFDTGUJRTGAD-UHFFFAOYSA-N 359.307 4.803 0 40 FJAB CC(C)Oc1ccc([C@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 822596 CGNFTBAYNOZJGF-GOTSBHOMSA-N 353.506 4.777 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)C1SCSCS1 958645 MFIJBIKPCXLMMU-UHFFFAOYSA-N 359.847 4.752 0 40 FJAB COC(=O)[C@H](CC(C)C)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 2139600 SCFBNWNMNCWQLN-FQEVSTJZSA-N 374.477 4.657 0 40 FJAB biogenic Cc1ccccc1Cn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 2721328 MWGPMWSTNQNPBU-SFHVURJKSA-N 369.468 4.884 0 40 FJAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccccc1-c1ccccc1 3322913 IKJYKNQFEAACSG-OUKQBFOZSA-N 363.438 4.610 0 40 FJAB Cc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1 4088721 FWIAMAMURMMLBK-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCC2 4131270 VHSVALXCVLLIJC-UHFFFAOYSA-N 373.518 4.568 0 40 FJAB c1cncc(-c2nnc3ccc(SCc4cccc5ccccc45)nn23)c1 4327839 IAXHFCNFUSCGJP-UHFFFAOYSA-N 369.453 4.632 0 40 FJAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(-n2cccc2)cc1 4694774 FFAUPBVNJKRZOB-UHFFFAOYSA-N 362.473 4.604 0 40 FJAB Cc1sc2nc([C@H](C)Sc3nc4ccccc4o3)[nH]c(=O)c2c1C 4830217 IERJVBJUDSJNLG-JTQLQIEISA-N 357.460 4.596 0 40 FJAB CCc1c(C)sc(NC(=O)/C=C/c2ccc(Cl)cc2)c1C(=O)OC 5477161 SOWDRUJJDHNJOB-JXMROGBWSA-N 363.866 4.711 0 40 FJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@H](C)CC3 5516180 FTRQJOOKNNXZIC-LLVKDONJSA-N 361.488 4.728 0 40 FJAB Cc1ccc(C(=O)c2csc(=S)n2C(=O)c2ccc(C)cc2)cc1 5543782 VNRKGPYEVLUIML-UHFFFAOYSA-N 353.468 4.815 0 40 FJAB COC[C@@H](C)n1c(C)cc(C(=O)COc2cccc3ccccc23)c1C 6010680 BSSHMQJTEGLGON-MRXNPFEDSA-N 351.446 4.727 0 40 FJAB O=C(CNc1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 6558443 HCPWYOZWKSRYHE-UHFFFAOYSA-N 350.849 4.658 0 40 FJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 6957027 IHQPMRUSZDIRTR-NSHDSACASA-N 365.296 4.505 0 40 FJAB COc1ccc2oc(C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)c(C)c2c1 7777819 SJJXIDMUDYSGEJ-LLVKDONJSA-N 355.356 4.553 0 40 FJAB OCc1cccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)c1 7981437 HCAJCHASNNXKNW-UHFFFAOYSA-N 351.406 4.733 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2n1C 8808277 QRJUFYZVXATXKL-UHFFFAOYSA-N 353.491 4.736 0 40 FJAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1 9010755 ZXPFIVAXBIHBSW-HNNXBMFYSA-N 362.454 4.891 0 40 FJAB Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCCC3)n2)cc1 10213581 ATISNAGRFBZSHU-UHFFFAOYSA-N 360.465 4.576 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)c(C)c1 10447245 FVCDFFIHZSLNAB-UHFFFAOYSA-N 353.462 4.866 0 40 FJAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3s2)c1)c1ccco1 11182031 ANXUKGSQRCICRE-UHFFFAOYSA-N 362.410 4.999 0 40 FJAB Cc1cccc(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1 12520787 OTYGGRKJOKIHBA-SFHVURJKSA-N 368.868 4.635 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccc(F)c1 12755562 HYXHPNSMLZTBPZ-UHFFFAOYSA-N 352.390 4.625 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 12782099 IXPXDKLURHNKFM-ZDUSSCGKSA-N 364.445 4.562 0 40 FJAB C[C@H](NC(=O)CSc1nc2ccccc2s1)c1cccc(Cl)c1 12789357 QEXDXPGRKJNTFH-NSHDSACASA-N 362.907 4.919 0 40 FJAB COc1ccc([C@H](CNC(=O)c2ccoc2C)c2c[nH]c3ccccc23)cc1 12813443 OFWBACLVXSZTOE-FQEVSTJZSA-N 374.440 4.640 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@H](NC1CCCCCC1)c1ccccc1 12859809 IDJAUCHIEKWJPU-JOCHJYFZSA-N 366.505 4.996 0 40 FJAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(C)Cc1ccc2ccccc2c1 12992689 YETOIUREXXRDSP-SJORKVTESA-N 364.464 4.677 0 40 FJAB CC(=O)c1cccc(NC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c1 14022425 MVGZPUOTDVLPFC-UHFFFAOYSA-N 365.282 4.753 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 14258462 CTLGKNZBRVVDSM-BJMVGYQFSA-N 363.244 4.994 0 40 FJAB Cc1ccc(C)c([C@@H](NC(=O)c2cccc(Cl)c2)c2cccnc2)c1 15839873 ZCGHBFTYWHQXIL-FQEVSTJZSA-N 350.849 4.871 0 40 FJAB Oc1ccc(CCNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 17074960 SIJAMHDFALGTCE-UHFFFAOYSA-N 364.470 4.714 0 40 FJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCCCC3)c(O)n2n1 23157144 WXHCAFHOXWTNAC-KRWDZBQOSA-N 370.522 4.504 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)c1 25213939 PFTDJWWUSXCOIY-CYBMUJFWSA-N 352.356 4.641 0 40 FJAB CCCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 27582485 ZXOFWSZLPJNQBG-UHFFFAOYSA-N 374.491 4.564 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N[C@H](c3cccs3)C(C)C)cs2)o1 32816357 XZAJSTLKCAWQST-KRWDZBQOSA-N 360.504 4.829 0 40 FJAB O=C(NCc1ccc(OC(F)F)cc1)c1cc2c(F)cccc2s1 36632512 UVZNYIMXSMVUQK-UHFFFAOYSA-N 351.349 4.572 0 40 FJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2nc(Cl)ccc2Cl)cc1 40009911 BCBMDIOYGHOECV-HNNXBMFYSA-N 365.260 4.764 0 40 FJAB CCc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 40942454 FGBQSACHETWBLO-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB CCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)c2ccccc12 41095150 OQJOBXRDXWZTSL-MRXNPFEDSA-N 369.486 4.668 0 40 FJAB Cc1c(F)cccc1NC(=S)Nc1ccc(F)cc1Br 71326026 YJFZBLVJGRDYJP-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB Cc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333528 JNLHESRKLIIFCO-UHFFFAOYSA-N 350.491 4.629 0 40 FJAB C[C@H]1C[C@@H](C)CN(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 84686329 PSDUDXVPEIIHAG-OKILXGFUSA-N 367.415 4.666 0 40 FJAB FC(F)(F)c1cc(NCCN2CCc3ccccc3C2)c2ccccc2n1 89861164 PRGYQORRLLPAKH-UHFFFAOYSA-N 371.406 4.724 0 40 FJAB C[C@H]1CN(c2ccccc2NC(=O)c2ccc3ccccc3c2)C[C@H](C)O1 89936882 HXJRFFJTSCMKCT-IRXDYDNUSA-N 360.457 4.706 0 40 FJAB O=C(CCCc1ccccc1)NCc1ccc([C@@H](O)c2cccs2)s1 90613541 PIVIPOCJSNDHDZ-FQEVSTJZSA-N 371.527 4.530 0 40 FJAB O=C(Cn1nc(Cl)c2ccccc21)Nc1cccc(Cl)c1Cl 95468068 CVTSRBNLDAMYBK-UHFFFAOYSA-N 354.624 4.635 0 40 FJAB CC(=O)COc1ccc2occ(-c3ccc(Br)s3)c2c1 96231287 YHLCXZBKOVGFDG-UHFFFAOYSA-N 351.221 4.892 0 40 FJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nccs5)(C4)C2)C3)cc1 100772513 DOEHRBCNLPMGPI-VKFLQFAXSA-N 368.502 4.628 0 40 FJAB C[C@@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 105714110 VDAIFANXYRXOQG-HXOBKFHXSA-N 358.485 4.636 0 40 FJAB O=C(c1ccc2nc[nH]c2c1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206876706 VJPMOPWGPORLJB-INIZCTEOSA-N 353.853 4.626 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219356643 NURAAVXEFAWAHV-NRFANRHFSA-N 369.461 4.813 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 222980872 DPBLEGIDAALANQ-HSZRJFAPSA-N 365.517 4.942 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(ccc3ccccc32)o1 224995786 IHMJSTIOIZATPF-UHFFFAOYSA-N 372.424 4.675 0 40 FJAB CCOc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1Cl 225084281 ARRLMWYAOLXJKU-UHFFFAOYSA-N 370.301 4.914 0 40 FJAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2O1 225101949 IWIGLGQCTGKBCS-IURSYISVSA-N 365.473 4.907 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3C3CCCC3)N21 260788419 ZZKFFDLDWJJNJZ-XPGWFJOJSA-N 366.534 4.978 0 40 FJAB Clc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501040140 BMOLVZGYBHLAGQ-UHFFFAOYSA-N 372.906 4.940 0 40 FJAB CCOc1cc(-c2nc(-c3ccc(C)cc3)no2)cc(OCC)c1OCC 627861 GGNNHUNLFDMQCM-UHFFFAOYSA-N 368.433 4.908 0 40 FJAB CCN(CC)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 682924 GWJKFGBVPRTXTO-UHFFFAOYSA-N 368.502 4.795 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(Cl)cc3s2)c(C)c1 683063 GCPSEGVEZVNHNF-GFCCVEGCSA-N 360.866 4.973 0 40 FJAB Cc1ccccc1OCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1 899632 GKENYKVWFZSIPF-UHFFFAOYSA-N 374.849 4.585 0 40 FJAB CC[C@H](Sc1ncnc2scc(-c3ccc(Cl)cc3)c12)C(=O)O 1930628 AKFZPPYDMOWNLB-LBPRGKRZSA-N 364.879 4.967 0 40 FJAB CCOC(=O)c1sc(Nc2ccc(OC)cc2)nc1-c1ccccc1 3057284 QQYJJKXLQUMAKQ-UHFFFAOYSA-N 354.431 4.739 0 40 FJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1 3655324 TZLKIWFEXLRRSM-UHFFFAOYSA-N 351.402 4.657 0 40 FJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(Cl)ccc1OC 4162610 JUJFJDLRBNTAFU-UHFFFAOYSA-N 373.792 4.524 0 40 FJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1c(F)cccc1F 4176325 WALRJKWKSTZGHO-UHFFFAOYSA-N 373.409 4.950 0 40 FJAB CC(C)[C@@H]1CC[C@H](C)[C@@H](OC(=O)COC(=O)c2ccc(Cl)cc2)C1 4930705 DVQXGUVUAJQEDN-LXZKKBNFSA-N 352.858 4.501 0 40 FJAB Cc1occc1-c1nnc(SCc2ccccc2C(F)(F)F)n1C 4948144 FGNNUIZVQGOFEF-UHFFFAOYSA-N 353.369 4.695 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nccn2C)c2ccccc2)c1 5358365 YWSCBJWOOOHGDT-GOSISDBHSA-N 351.475 4.509 0 40 FJAB Cc1ccc(OCc2nc(-c3ccccc3C)no2)c(Br)c1 6127371 GOMUMWKDWOENFV-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(Oc2ccccc2)c1 6335518 SWQZFPXMCUACCQ-UHFFFAOYSA-N 372.424 4.623 0 40 FJAB CCN(CC)C(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1 7271176 HFGGGFAPQQIVLT-UHFFFAOYSA-N 354.479 4.534 0 40 FJAB Cc1ccccc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 8013001 DUPRDHXWDKBXLX-UHFFFAOYSA-N 370.456 4.596 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c(C)c1 8040579 GOBXVYPKJUXDMT-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB COc1ccc(OCCCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 8313213 LNXZASTWQSDQLH-QGZVFWFLSA-N 363.457 4.885 0 40 FJAB Cc1nc2ccc(OCc3ccccc3)cc2c(O)c1CN1CCCCC1 8572520 LYVXPARJZOKNOO-UHFFFAOYSA-N 362.473 4.814 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)cc1C 8917562 ZGNDMFSDWNVQFK-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB Cc1cc(NC(=O)[C@H](Sc2ncccc2Cl)c2ccccc2)no1 11251860 AUKUYIXXFYQZOT-OAHLLOKOSA-N 359.838 4.504 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)CC(C)C)no2)cc1 12185478 BQSJGWYRBKPPAK-LJQANCHMSA-N 356.466 4.840 0 40 FJAB CCCNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 12231581 XCKURLGRGZVXRK-UHFFFAOYSA-N 365.517 4.836 0 40 FJAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccccc4)ccc3C(=O)O2)cc1 12274527 VLGJFICWCYGVSV-NRFANRHFSA-N 357.409 4.702 0 40 FJAB COc1ccc(-c2n[nH]c(-c3ccc(OC)cc3)c2Br)cc1 12357673 HDJHZQDIRWCTND-UHFFFAOYSA-N 359.223 4.523 0 40 FJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)c2ccccc2)cc1 12631440 DDZUAVURAVUOPO-QFIPXVFZSA-N 358.441 4.657 0 40 FJAB Cc1ccc(OCc2nc(C(=O)N3CCCc4ccccc43)cs2)cc1 12773957 MSJNPDSKFOUHGD-UHFFFAOYSA-N 364.470 4.624 0 40 FJAB CCCCOc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 13561320 BHNBFCLAEOIAEF-UHFFFAOYSA-N 350.462 4.936 0 40 FJAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1 13715054 PQVKRSJWZWLQFE-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB COC(=O)c1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccco2)cc1 14250368 GMZMHLXTHGBNAQ-UHFFFAOYSA-N 371.776 4.764 0 40 FJAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(F)(F)F)cc1)NCC2 20506979 YJILLLFCIYGBTA-IBGZPJMESA-N 365.395 4.738 0 40 FJAB NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1Br 26508283 VBKSFEHPMHWIKI-UHFFFAOYSA-N 357.660 4.550 0 40 FJAB O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccccc1C(F)(F)F 32094679 BVHJLUAXZZGZPB-UHFFFAOYSA-N 352.743 4.952 0 40 FJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(c2ccccc2)CC1 32366659 OQNWOZZHSPZBTN-UHFFFAOYSA-N 369.464 4.937 0 40 FJAB COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 35325447 XNQRITQFCMZCIB-HNNXBMFYSA-N 370.861 4.946 0 40 FJAB O=C(NCC[C@H](O)c1cccc2ccccc12)Nc1cccc(Cl)c1 77119027 WTHPDKYDGPCHPQ-IBGZPJMESA-N 354.837 4.738 0 40 FJAB FC(F)(F)c1nc(NCc2ncc(-c3ccccc3)o2)c2ccccc2n1 84563052 RIGSGPIGSYWYQA-UHFFFAOYSA-N 370.334 4.916 0 40 FJAB CC(C)c1nccc(C2CCN(C(=O)CCc3cccc(Cl)c3)CC2)n1 95450328 QDSLMIJUXBTFKE-UHFFFAOYSA-N 371.912 4.592 0 40 FJAB CC(C)[C@H](NCc1ccc(Cl)cc1Br)c1ccncc1 95971804 KFIOAVAOSBSMFM-INIZCTEOSA-N 353.691 4.984 0 40 FJAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 100561192 FJAQRJUALMXVGH-KRWDZBQOSA-N 357.244 4.949 0 40 FJAB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102699520 JAKRXWHZLILKLD-HRAATJIYSA-N 374.419 4.791 0 40 FJAB COc1ccc(-c2csc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)c(OC)c1 104818742 QIHCPHYNJRAFHF-MELADBBJSA-N 372.490 4.592 0 40 FJAB O=C(c1cccc2cc[nH]c12)N1CCC(Oc2ccc(Cl)cc2)CC1 117173291 GQSMJYIUEGPUFW-UHFFFAOYSA-N 354.837 4.505 0 40 FJAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222907194 OSXSXLXTMRKKNS-INIZCTEOSA-N 369.530 4.685 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219558 NJWHFQARKBPPQM-VBKZILBWSA-N 357.881 4.864 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 224357250 IZQJTHAJRBPFRC-WOJBJXKFSA-N 362.502 4.710 0 40 FJAB CCSc1ccccc1C(=O)NCc1cccc(CN2CCCCC2)c1 224686634 UEPZDIWIEOIBRO-UHFFFAOYSA-N 368.546 4.715 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 225717967 GQWJVPWKBPBWGI-HNNXBMFYSA-N 364.898 4.795 0 40 FJAB CCOc1cc(C)c(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1C(C)C 409077535 FWFJEQTYDRHDLP-UYRXBGFRSA-N 370.493 4.743 0 40 FJAB CCc1nc2cc(NC(=O)Nc3ccc([C@@H]4CCOC4)cc3)ccc2o1 562850179 WIJXCXSQFXJCPL-CQSZACIVSA-N 351.406 4.538 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)c1cnn(-c3ccccc3Cl)c1C)CC2 601662385 KYJFNBHRBCHWSS-LJQANCHMSA-N 365.864 4.560 0 40 FJAB Cc1ccc(CNc2ccnc(N3CCC(c4ccccc4)CC3)n2)cc1 1776006190 SGPBAPYBLRXXBV-UHFFFAOYSA-N 358.489 4.781 0 40 FJAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(C2CCCCC2)CC1 2037840189 IGUUJTLNESYGOH-UHFFFAOYSA-N 371.550 4.510 0 40 FJAB Fc1ccc([C@@H]2CCCN(CCN3CCCC3)c3cc(F)ccc32)cc1 717559 NYKFEGWFBYXCJF-FQEVSTJZSA-N 356.460 4.793 0 40 FJAB Cc1ccc2nc(-c3cc4ccc(C)c(C)c4[nH]c3=O)c(NC(C)(C)C)n2c1 1330158 VYOQMOKXIKLGRT-UHFFFAOYSA-N 374.488 4.978 0 40 FJAB Cc1nc(SCC(=O)Nc2c(C)cccc2C)c2c(C)c(C)sc2n1 1357867 QCCYXKCTPPVKRH-UHFFFAOYSA-N 371.531 4.964 0 40 FJAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 1369498 GIDUUQQNNWXFDI-OALUTQOASA-N 359.583 4.631 0 40 FJAB c1ccc(-c2nc3ccccn3c2Nc2ccc(N3CCOCC3)cc2)cc1 1412156 FQFZSGVAAGDUPQ-UHFFFAOYSA-N 370.456 4.582 0 40 FJAB CSc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 1511271 CQLXCKHNAYJGPH-DHDCSXOGSA-N 374.259 4.516 0 40 FJAB CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(Cl)cc1 3912271 SFURISWPXKZCQF-UHFFFAOYSA-N 363.852 4.935 0 40 FJAB Cc1cc(C)c2sc(NC(=O)c3ccc(Br)s3)nc2c1 4264326 IAAZUVLSZYEFIH-UHFFFAOYSA-N 367.293 4.989 0 40 FJAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1 4747419 BKTNVMWBVAWCPV-KRWDZBQOSA-N 373.456 4.758 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C)cc2C)c1 6263843 GNZFWMONRIUAGF-UHFFFAOYSA-N 374.868 4.713 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)o1 6747386 GKIKRIWRRDYEGQ-UHFFFAOYSA-N 374.234 4.786 0 40 FJAB CCc1ccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)cc1 6942838 BYEDRSBVBMZCSD-UHFFFAOYSA-N 360.457 4.879 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)Cn1c(C)cc2ccccc21 6963469 WPSHOQYKLUJAIO-UHFFFAOYSA-N 371.278 4.968 0 40 FJAB Cc1nc(Oc2ccc(-c3nnco3)cc2)c2c3c(sc2n1)CCCC3 7784756 BMHBSCFKKTYWMC-UHFFFAOYSA-N 364.430 4.721 0 40 FJAB CN(CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccco1 8198869 BHBWLHGJLPLUPT-UHFFFAOYSA-N 352.459 4.501 0 40 FJAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)oc2c(Cl)cccc12 9047961 RMFAZFTWAHQVGA-INIZCTEOSA-N 372.852 4.555 0 40 FJAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)(C)C)c1 9185593 VDPYJQXYQSCUFS-UHFFFAOYSA-N 362.473 4.586 0 40 FJAB CC[C@@H](C)Nc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 10768081 PWKQEFXCXCIPKQ-MNOVXSKESA-N 360.508 4.593 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188101 NNQZUPCUVGVSOB-MRXNPFEDSA-N 352.384 4.533 0 40 FJAB COc1cccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)c1 12799144 YFOFLMODIQSKMQ-UHFFFAOYSA-N 350.443 4.613 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(Cl)c1)O[C@@H](C)C2 12985355 QPZIWTGXMVRTIR-JTQLQIEISA-N 366.244 4.968 0 40 FJAB O=C1S/C(=C\c2cccnc2)C(=O)N1c1ccc(Cl)cc1Cl 13208162 PHWIXGWFFSYLGE-MLPAPPSSSA-N 351.214 4.629 0 40 FJAB CCOc1ccccc1CCCNC(=O)CSCc1cc(C)cc(C)c1 13669107 RTKRXEYWDSPUTE-UHFFFAOYSA-N 371.546 4.684 0 40 FJAB COc1ccccc1[C@@H](C)NCc1ccc(C(=O)Nc2ccccc2)cc1 14250687 JZIILRGFTADVDO-QGZVFWFLSA-N 360.457 4.798 0 40 FJAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 16591627 GYPOTVXOBVHNEB-VHSXEESVSA-N 369.214 4.595 0 40 FJAB CCc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 21122649 FJYDPGSQUDJPKD-UHFFFAOYSA-N 355.825 4.524 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc3cccnc23)s1 21659220 QGKACGXFDHOYHC-UHFFFAOYSA-N 365.483 4.909 0 40 FJAB CCn1nc(C)c(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c1C 27929466 WJMATQDJRJFGLC-UHFFFAOYSA-N 363.461 4.584 0 40 FJAB CSc1ccccc1NCC(=O)Nc1ccc(C)cc1Br 28663684 GAAZFUHLGRSHPT-UHFFFAOYSA-N 365.296 4.530 0 40 FJAB COc1ccc(OCc2coc(-c3ccc(Cl)cc3)n2)c(C(C)=O)c1 32814268 WQJNUIUWURJDCX-UHFFFAOYSA-N 357.793 4.785 0 40 FJAB CC(C)CN(CC(F)(F)F)C(=O)c1cc(Br)ccc1Cl 37989970 DFDSUXVHKOXXTM-UHFFFAOYSA-N 372.612 4.763 0 40 FJAB Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)oc2c1C(=O)CCC2 40130398 RCHJYMKQHJJGQB-NSHDSACASA-N 365.351 4.617 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2c(F)cccc2F)C1 40287640 LSQQYFRNGHWLAU-LBPRGKRZSA-N 361.298 4.552 0 40 FJAB Brc1ccc([C@@H]2NN2c2nc(-c3ccccc3)cs2)cc1 41104838 JQVOUYQUIGROCK-IWPPFLRJSA-N 358.264 4.596 0 40 FJAB COc1ccc([C@H](NC(=O)c2nccc3ccccc23)c2ccccc2)cc1 60193027 GXEJVMMFTGLMKR-JOCHJYFZSA-N 368.436 4.763 0 40 FJAB CC(C)Oc1ccccc1CC(=O)Nc1cccc(CN2CCCCC2)c1 60300615 SQALKJNQURQLIC-UHFFFAOYSA-N 366.505 4.641 0 40 FJAB Cc1c(C)c2ccc3c(c2oc1=O)CN([C@@H]1CCCc2ccccc21)CO3 61997665 KZTVSWWCXDUAJR-HXUWFJFHSA-N 361.441 4.639 0 40 FJAB biogenic COc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1F 71325919 DEBQPFLEIQBJQW-UHFFFAOYSA-N 369.259 4.714 0 40 FJAB CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215458 SCTBZBKHFKTOHC-GOSISDBHSA-N 359.514 4.923 0 40 FJAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2Cc2ccccc2)n1 72376749 FNXSINYEJKJKHM-HXUWFJFHSA-N 362.452 4.592 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380273 FTMNGUNDIYXOSV-QGZVFWFLSA-N 355.457 4.502 0 40 FJAB CC(=O)c1ccc(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 78611647 PEGFTWKCOMEUOM-UHFFFAOYSA-N 364.272 4.904 0 40 FJAB Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C=O)n1 90669489 COEIUYIKZISWBD-UHFFFAOYSA-N 352.437 4.844 0 40 FJAB in-vitro C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(F)cc(C(F)(F)F)c1 93889568 UFGCVWOJVJAZIE-VDBVYFBLSA-N 373.415 4.775 0 40 FJAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2Cl)s1 95116326 VGUOGJSQCQABLN-ZDUSSCGKSA-N 357.866 4.986 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1OCC1CC1 95958448 BQQZQGMJJGQIBH-UHFFFAOYSA-N 361.445 4.530 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(F)c1F 96171009 FVBNJLJXOPHVIR-UHFFFAOYSA-N 350.218 4.647 0 40 FJAB Cc1ccccc1CN1CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 96214633 XACGGAMDZYBJDK-HSZRJFAPSA-N 363.505 4.658 0 40 FJAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccccc2)no1 96277042 CFTHJYYGKRQLSC-MRXNPFEDSA-N 355.825 4.517 0 40 FJAB CC1(C(=O)Nc2ccc(OC(F)F)cc2)CCN(Cc2ccccc2)CC1 97109044 OHOHBVAJKPVBFX-UHFFFAOYSA-N 374.431 4.529 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc2c(c1)CCCC2 223105398 BEASLJVHPYJZDH-UZLBHIALSA-N 367.489 4.609 0 40 FJAB Cc1cc(NC(=S)NCc2ccc(-c3ccccc3)o2)ncc1Cl 223909594 KHYCJMQPYARAGA-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COCC(C)C 224738392 NRXGTWJFMFIQFQ-UHFFFAOYSA-N 357.450 4.519 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885567 RSICCXPMALDGGH-MRXNPFEDSA-N 353.340 4.690 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC1CCCCC1 225211997 IPRKWHDWXCFTTB-JOCHJYFZSA-N 373.537 4.578 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)cc1 225483512 ZTKFAPJQXZTPRB-QGZVFWFLSA-N 356.491 4.528 0 40 FJAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C(F)(F)F 225818272 JEHPJULOIGYRTB-QGZVFWFLSA-N 361.404 4.884 0 40 FJAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257204401 AUKBYMIFSAVFHD-FXJWEYNDSA-N 369.427 4.866 0 40 FJAB Cc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408610594 QKRXMBHWRUCNKQ-UHFFFAOYSA-N 362.517 4.513 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409009054 SLCGSBWLVIUUHV-QCUKBLKESA-N 354.475 4.929 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 509931443 SLCAAXSJYDSUHB-RDJZCZTQSA-N 366.848 4.837 0 40 FJAB O=C(NOCc1ccccc1)c1cc(-c2ccccc2)cc(Cl)c1O 1306303696 YWEBIRGIFYEGTJ-UHFFFAOYSA-N 353.805 4.574 0 40 FJAB Cc1ccnc(Nc2cccc(C(=O)N[C@]3(C)CCCc4ccccc43)c2)n1 1566761830 BHVRAAHYDZEEOI-HSZRJFAPSA-N 372.472 4.510 0 40 FJAB CC(C)(C)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1326686 QPPNEBOWXUOBBK-UHFFFAOYSA-N 361.489 4.880 0 40 FJAB CCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 2273040 GMNNULYCSISKFT-UHFFFAOYSA-N 352.488 4.607 0 40 FJAB Cc1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c1 2361001 AECWWJRPQJXVTQ-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB CCOc1ccc(-c2cc3c(OCC)cc(OCC)cc3oc2=O)cc1 2573885 CVEJFVDNUNGJNF-UHFFFAOYSA-N 354.402 4.656 0 40 FJAB FC(F)(F)c1cccc(-n2c(S)nnc2-c2ccccc2Cl)c1 3273210 GAQQGONGYSOFNB-UHFFFAOYSA-N 355.772 4.895 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3C)s2)cc1 4070442 HAKWWZMGHKDIDS-UHFFFAOYSA-N 367.474 4.945 0 40 FJAB COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(Br)c1 4115930 YGHMIMSDIJDCCX-UHFFFAOYSA-N 358.235 4.913 0 40 FJAB biogenic CCC(=O)Nc1ccc(C(=O)COc2cccc(Cl)c2Cl)cc1 4821528 JOTTWOFMKQMSGW-UHFFFAOYSA-N 352.217 4.604 0 40 FJAB CCOc1ccc(Br)cc1[C@H]1CC(=O)Nc2c1ccc(C)c2C 4911722 XPMOVAKPKNSGAT-HNNXBMFYSA-N 374.278 4.939 0 40 FJAB COC(=O)c1ccc2c(c1)C=C[C@]1(O2)c2ccccc2-c2ccccc2N1C 5125516 DBPQWWIARNILFJ-DEOSSOPVSA-N 369.420 4.849 0 40 FJAB CC(C)OCCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 6328069 WOEIEUDLUSPGSU-XDJHFCHBSA-N 357.881 4.812 0 40 FJAB O=C(Nc1cccc(Cl)c1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 6585848 SUNDTCQUOKKZFD-UHFFFAOYSA-N 355.777 4.546 0 40 FJAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(C)C 8040822 WHZSFOAQINPXAZ-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB S=C(Nc1ccc(Cl)cc1Cl)N1CCN(C2CCCCC2)CC1 8215417 ZASIBLYYAMZOHZ-UHFFFAOYSA-N 372.365 4.641 0 40 FJAB Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(C)c1 8405923 NFVKJQDKVHGFKF-UHFFFAOYSA-N 359.473 4.639 0 40 FJAB Cc1cc2nc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)oc2cc1C 10120381 VEDRNUPEFHTRMB-UHFFFAOYSA-N 370.452 4.971 0 40 FJAB COc1cccc2cc(CC(=O)c3ccc(-c4ccccc4)cc3)c(=O)oc12 10131136 BPOZXIWCFKDUEF-UHFFFAOYSA-N 370.404 4.894 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12783868 KGBGZUVLKCQAAI-UHFFFAOYSA-N 373.412 4.702 0 40 FJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 12923016 TVJFFCSLHGPMOC-UHFFFAOYSA-N 365.339 4.729 0 40 FJAB Clc1ccc(CN(Cc2ccncc2)Cc2cccnc2)cc1Cl 13989646 SWFRUKKVGGVVQP-UHFFFAOYSA-N 358.272 4.986 0 40 FJAB CCO[C@]12c3ccccc3O[C@H](c3ccc(F)cc3)[C@H]1C2(Cl)Cl 15320311 XMVVCRVUKADPAS-BRWVUGGUSA-N 353.220 4.995 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(OCc2cscn2)c1 16705936 WEEPXPIMVSXQLN-UHFFFAOYSA-N 362.813 4.767 0 40 FJAB COc1ccc(NC(=O)c2ccc(F)cc2Br)cc1Cl 17339571 OQBGBDXDNGFLNI-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB COc1ccccc1-c1ccccc1CN(C)CCCn1nc(C)cc1C 19714087 GOBMZJFGWBUCLK-UHFFFAOYSA-N 363.505 4.698 0 40 FJAB Cc1cccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c1 21548966 DBBRTPFVXIVMNN-HMMYKYKNSA-N 367.452 4.728 0 40 FJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2c3c(cccc13)CC2 22382047 PKBPEIDVUYWALT-UHFFFAOYSA-N 367.395 4.812 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 22528484 NXIFZXJRFIMRHX-PMACEKPBSA-N 355.478 4.737 0 40 FJAB CSc1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1 24072942 MQBXAZKKXAWDBV-LJQANCHMSA-N 357.544 4.836 0 40 FJAB Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc23)N2CCCC2)cc1 27994287 FVHDMDAJRMWDMM-XMMPIXPASA-N 372.512 4.644 0 40 FJAB C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 32477061 RLXCBQLZYZZPPR-CQSZACIVSA-N 369.852 4.590 0 40 FJAB Cc1cc(SCC(=O)Nc2ccccc2C)nc(-c2cccc(F)c2)n1 67257335 HYLIRHXZCWJDFP-UHFFFAOYSA-N 367.449 4.630 0 40 FJAB CCO[C@H]1CCCN(C(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 67557459 JGSMWZSIXUJXHJ-AWEZNQCLSA-N 368.433 4.627 0 40 FJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc2[nH]ccc12 71287941 LFSFTNIPGRFVLQ-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357592 JUFWYFKRCDQRJR-QFIPXVFZSA-N 360.432 4.789 0 40 FJAB C[C@H](Cc1nc2ccccc2s1)Sc1nnc(-c2cccs2)n1C 79024285 XJCCOTGCJRQIDY-LLVKDONJSA-N 372.544 4.877 0 40 FJAB COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2C)cc1OC 84234487 FDQCJDGLLGHEAC-IBGZPJMESA-N 367.489 4.640 0 40 FJAB COc1ccc(CCCC(=O)Nc2cccc3c2CN(C(C)C)C3)cc1F 95464817 DGSOHNJBPYPNLD-UHFFFAOYSA-N 370.468 4.520 0 40 FJAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cccc2ccccc12 96382649 WUSUJSUSOIQQBC-UHFFFAOYSA-N 354.409 4.957 0 40 FJAB Clc1cccc([C@@H](NCC2=Cc3ccccc3OC2)c2ccccn2)c1 97015239 LVQMSLRMZWZAFN-JOCHJYFZSA-N 362.860 4.890 0 40 FJAB CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccsc2)nc1C 101816001 XJMFDADJPHMRCA-UHFFFAOYSA-N 356.422 4.909 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(OC)cc1 113970431 NAVMBGHBPWYAJD-WOJBJXKFSA-N 355.478 4.737 0 40 FJAB O=C(c1nc2ccccc2s1)N1CCS[C@@H](c2ccccc2)CC1 211143214 CTAYCYMFVNHGSC-MRXNPFEDSA-N 354.500 4.617 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2cc(C)cc(C)c2)cc1 225802257 MMMGJEJEDRPDOR-UHFFFAOYSA-N 360.548 4.781 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(=O)O)o3)c2)cc1 226355933 HNHKOFLFSXICNG-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(N)cc1Cl 226763153 QYBXPUAHAXSESY-UHFFFAOYSA-N 359.640 4.798 0 40 FJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247432696 UVSKMCDCQANQJJ-IFYRHLBMSA-N 355.384 4.960 0 40 FJAB Cc1ccc(CCC(=O)NCc2ccnc(-c3cccs3)c2)cc1F 252537630 LWZPSPUNOFWTEQ-UHFFFAOYSA-N 354.450 4.507 0 40 FJAB FC(F)(F)c1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1 1386017 NCHYSEGFOPYNLF-UHFFFAOYSA-N 359.138 4.655 0 40 FJAB CN(C)[C@H](C(=O)c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1 2631278 HKEWMTMGTFFFIR-QFIPXVFZSA-N 365.423 4.910 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(NC[C@H](c4ccccc4)N(C)C)c23)C1 3285403 CVERDUYFQPGPKY-WMLDXEAASA-N 366.534 4.531 0 40 FJAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 3361566 LGADHDLMEVFWRH-UHFFFAOYSA-N 365.867 4.571 0 40 FJAB Cc1cc(OCC(=O)Nc2nnc(C3CC3)s2)c(C(C)C)cc1Cl 3552712 ZYDHSDBRHWKJBF-UHFFFAOYSA-N 365.886 4.518 0 40 FJAB COc1ccc2[nH]c3c(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2c1 4029450 QPGPAELKASZCLS-ZSEKCTLFSA-N 350.466 4.525 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nc(-c3ccncc3)cs2)cc1 4303367 IPCNNKXFKJLJGO-UHFFFAOYSA-N 355.488 4.634 0 40 FJAB Cn1c(-c2ccccc2)cn2cc(-c3ccc(Br)cc3)nc12 4678228 YIYGVFFCENIMFO-UHFFFAOYSA-N 352.235 4.769 0 40 FJAB COc1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1 5176927 DTGQGXAUHBHAOM-NZQKXSOJSA-N 357.409 4.670 0 40 FJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 5248644 HQGIHEHYJOSVLC-JOCHJYFZSA-N 369.399 4.966 0 40 FJAB COc1ccc(/N=c2\scc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 5575994 BPZRZABWVPNSTG-LURZSEBBSA-N 366.486 4.637 0 40 FJAB COc1cccc(CNCc2ccco2)c1OCc1ccccc1Cl 7523602 DSHDCXJWEVCOIB-UHFFFAOYSA-N 357.837 4.810 0 40 FJAB Clc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)c(Cl)c1 8131739 RPSKLOFZPYWQGB-UHFFFAOYSA-N 367.305 4.991 0 40 FJAB CC[C@@H](C(=O)OCc1nc(-c2ccccc2Cl)no1)c1ccccc1 8315467 ITWRQEXEEKBQMY-CQSZACIVSA-N 356.809 4.627 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)c(C)c1 8500121 LDUZPPUHZQFASC-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB COc1ccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1 8735150 COYJIUSRWOYVIJ-UHFFFAOYSA-N 369.490 4.705 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2F)s1 8914136 GKMGVAZXZIJDEL-UHFFFAOYSA-N 362.817 4.565 0 40 FJAB Cc1noc(C)c1CN(C(=O)COc1ccccc1Cl)c1ccccc1 8940771 MYSGAZAYMUGFSD-UHFFFAOYSA-N 370.836 4.557 0 40 FJAB Cc1ccc(OCC(=O)N[C@H](c2cccs2)C(C)C)c2c1[C@@H](C)CC2=O 11052956 RDOYMGYYTNQITL-QKKBWIMNSA-N 371.502 4.639 0 40 FJAB COc1cccc(C(=O)Nc2nc3ncccc3cc2-c2ccccc2)c1 11695921 IFKNJEDCEFAFGU-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccc2ccccc2c1 12793206 SLEBBZVXZFMAOH-AWEZNQCLSA-N 354.400 4.577 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 12982245 JOVVCLVFLKNGKZ-KUHUBIRLSA-N 355.434 4.560 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 13013199 GQTNYRCEBDMGFV-QGZVFWFLSA-N 356.491 4.505 0 40 FJAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCCc2ccccc21 13574103 DANFWWHZPODJIY-UHFFFAOYSA-N 352.821 4.517 0 40 FJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)[C@@H](O)CC1(CCCCC1)O3 13682684 CAFHUUPOVJAMRW-SFHVURJKSA-N 356.462 4.963 0 40 FJAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13932702 WJVAKKSYDREOJZ-LLVKDONJSA-N 354.397 4.762 0 40 FJAB COc1cc(CN[C@H](Cc2cccs2)c2nc(C)cs2)cc(OC)c1 19240067 FKJXBSIMFANUIM-GOSISDBHSA-N 374.531 4.604 0 40 FJAB Clc1ccc(CNc2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)cc1 19334752 CTICUJXFKQSCGX-GOSISDBHSA-N 366.852 4.656 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H]1Cc2ccccc2O1 21598887 HPHGBPVWRGSRBM-IBGZPJMESA-N 372.449 4.906 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1 22522871 QXMOCKGEDTVDRW-QGZVFWFLSA-N 357.519 4.627 0 40 FJAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(-c2ccccc2)cc1 28303638 FZSHDEWZGJYNAG-UHFFFAOYSA-N 371.415 4.990 0 40 FJAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCCCC1 31903799 IUZHGCYFZJETRC-UHFFFAOYSA-N 353.528 4.518 0 40 FJAB Cc1cc2nnc(SCc3nc4ccccc4c(C)c3Cl)n2c(C)n1 33032795 SOPHALYACYYQQG-UHFFFAOYSA-N 369.881 4.543 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)c3csc(Br)c3)c2)n1 33126486 JTYBGIIISYMKBG-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Cc1ccc(Cl)c2sc(NC(=O)c3cc(-c4ccco4)on3)nc12 36709487 XIUWTDDHXONTPC-UHFFFAOYSA-N 359.794 4.758 0 40 FJAB C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nc3ccccc3s2)c1 41127637 YYYDRPHSEZIWHV-OAHLLOKOSA-N 350.487 4.907 0 40 FJAB CCSc1ccccc1C(=O)NCC1CCN(Cc2ccsc2)CC1 43971826 BQGMPQAMYOAXCE-UHFFFAOYSA-N 374.575 4.502 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 44837489 HYZIMZFBBRQXJC-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB Cc1cc(C)c(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C)c1 58163350 LDDODGMMTTVKBF-UHFFFAOYSA-N 358.485 4.930 0 40 FJAB COc1ccccc1CN(Cc1nc(-c2cccc(Cl)c2)no1)C1CC1 59389838 GGQBUDHFFZXRLA-UHFFFAOYSA-N 369.852 4.563 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccoc1)Cc1cccs1 90612159 JROORVQCNCRXSK-UHFFFAOYSA-N 364.426 4.839 0 40 FJAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 100150206 OATWVEOEZQIVDY-KBAYOESNSA-N 372.468 4.570 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccccc1C(C)(C)C 223667915 CTSFOJMDVOVNIU-QGZVFWFLSA-N 371.546 4.801 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966631 OWRGNVXNEPNKLW-HXUWFJFHSA-N 356.441 4.612 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Cl)cc1 225772014 BLRRKVIIQLTCIR-CYBMUJFWSA-N 371.893 4.610 0 40 FJAB CCc1ccc(NC(=S)NCCCSc2ccc(OC)cc2)cc1 225802740 BTEMMBQBASDOAH-UHFFFAOYSA-N 360.548 4.726 0 40 FJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccccc3)[C@H]1[C@H]2C 230455492 YMUARTGNUFZVFK-FPIWTNIKSA-N 357.494 4.727 0 40 FJAB biogenic C[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 245240228 NUCMWTKQBVNDFA-RDWZOOJASA-N 365.517 4.508 0 40 FJAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)nc1 257318823 VPNDCJTVLFVAII-QYFOZDBKSA-N 373.456 4.730 0 40 FJAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc12 328593223 NDRQMNLAZPCXOM-RHSMWYFYSA-N 367.518 4.763 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(Cl)cccc1Cl 408705863 OZEAOLFEBLDDQE-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB COc1cccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 408926634 VHPQUUAQLLLMAT-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(CC2CCCCC2)CC3)cc1 585100183 HHJRNKLPNPAJOT-DEOSSOPVSA-N 368.565 4.922 0 40 FJAB Cc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 935550 WEFVSXZQKBWIJX-OAHLLOKOSA-N 355.850 4.784 0 40 FJAB COc1ccc(COc2ccc3c4c(c(=O)oc3c2)CCCCC4)cc1 2258312 HKMRHMYVKZZXOU-UHFFFAOYSA-N 350.414 4.650 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)cc1C 3236002 VCHAXGPVFVQYJA-UHFFFAOYSA-N 358.246 4.792 0 40 FJAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(C)c(C)c3)[nH]2)cc1 4315404 PACHXTRWBFMHNV-UHFFFAOYSA-N 365.502 4.524 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 4715806 ZZPYHLZHVARJAI-ONNFQVAWSA-N 363.244 4.994 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5474393 HAUPMLHZDZGLIS-UXBLZVDNSA-N 364.228 4.822 0 40 FJAB O=C(OCc1ccc(Cl)cc1)c1csc(NCc2ccccc2)n1 6373651 FCXXXEUHJBYUNQ-UHFFFAOYSA-N 358.850 4.766 0 40 FJAB Cc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 6810787 OBKUQQCMHPCRFM-UHFFFAOYSA-N 363.461 4.914 0 40 FJAB COc1cc(CNCC(C)C)ccc1OCc1ccc(F)cc1Cl 6883586 ZVRFJLVJJPXFQO-UHFFFAOYSA-N 351.849 4.812 0 40 FJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 7405716 VYIWYAGNENIEGH-CMDGGOBGSA-N 361.772 4.771 0 40 FJAB O=C(CN1CCc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl 7600862 NZRXPIZSIOLCJQ-UHFFFAOYSA-N 355.652 4.648 0 40 FJAB Cc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 8372479 NQGZGUQGFVXPAS-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 8499358 RQRHAIYDSKAMFM-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB Cc1cccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1C 8586794 QCMGQIUPCOWCFX-HNNXBMFYSA-N 372.534 4.928 0 40 FJAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2c(c1)CCC2 10535972 GSQMDMMWZVBMMD-NSHDSACASA-N 366.408 4.708 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 12756545 WJYDFVPGJZXTHG-GFCCVEGCSA-N 372.421 4.532 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)NCC12CC3CC(CC(C3)C1)C2 12793661 KYQAFGIRFMTHGP-UHFFFAOYSA-N 372.559 4.747 0 40 FJAB CCOC(=O)CCn1nc(-c2ccc(F)cc2)c(C)c1-c1ccc(F)cc1 17075852 DYJRCTSAUHFXOE-UHFFFAOYSA-N 370.399 4.757 0 40 FJAB COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(Cl)c1 22072810 JZSNHAUYJQNZRM-UHFFFAOYSA-N 367.836 4.608 0 40 FJAB O=C(NCCc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 22836386 XEECBFVPHFQZKR-UHFFFAOYSA-N 368.436 4.981 0 40 FJAB CCCCC[C@H](C)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 25346067 VCAKRJOTIVKXDS-RXVVDRJESA-N 366.505 4.633 0 40 FJAB Cc1sc2ncnc(SCc3ccc(-n4cccn4)cc3)c2c1C 27435506 ZDXICBWFPCLTPX-UHFFFAOYSA-N 352.488 4.786 0 40 FJAB O=C(Nc1ccc(Br)c2cccnc12)c1ccc(F)c(F)c1 27930291 AUOHPOAUPAYBND-UHFFFAOYSA-N 363.161 4.528 0 40 FJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc[nH]c1=S 29381969 SMBMNSNESYQJQC-UHFFFAOYSA-N 354.406 4.606 0 40 FJAB Cc1cc(C)cc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 41077034 LPTUIBYQIACTIH-UHFFFAOYSA-N 363.461 4.587 0 40 FJAB CCOc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44839197 OCHALNPNCKPASB-UHFFFAOYSA-N 371.440 4.559 0 40 FJAB CCOc1ccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44839207 XYFGWJQNOZZWGZ-UHFFFAOYSA-N 371.440 4.559 0 40 FJAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 46012645 GNVFQTUGSNJQGL-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2ccccc2n1 48263748 UZWIAJSQKNHRBV-QHCPKHFHSA-N 367.452 4.800 0 40 FJAB O=C(CSCc1ccc(F)cc1Cl)N[C@@H]1CCCc2ccccc21 48365597 KCMNXVBFLGIJMM-GOSISDBHSA-N 363.885 4.906 0 40 FJAB Cc1cccc(C)c1NC(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1 57350860 YKNJNDWIPXGCRM-NRFANRHFSA-N 368.477 4.822 0 40 FJAB CCc1ccc([C@H](C)Nc2ccc3nnc(-c4ccccc4F)n3n2)cc1 58427859 HKSCOGGETRVWIE-AWEZNQCLSA-N 361.424 4.666 0 40 FJAB Cc1cccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c1 67288301 AEBRVRWXVAZILP-UHFFFAOYSA-N 363.436 4.530 0 40 FJAB Cc1ccc(NC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)c(C)c1 72280559 XEWXZPDDAQHTGN-GOSISDBHSA-N 365.521 4.857 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358002 NBGRMNJZGHYJKI-NRFANRHFSA-N 352.453 4.665 0 40 FJAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl 73049620 AJTSNADDUZRRDV-LLVKDONJSA-N 357.866 4.658 0 40 FJAB C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)Cc1cccc2ccccc12 75093502 VXBYHEKAYKTXOL-CQSZACIVSA-N 357.475 4.801 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1F 97074611 VWCMPMKSKFSACO-AWEZNQCLSA-N 370.193 4.523 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCC2 102197144 FXBOBWJPZFPWQV-UMVBOHGHSA-N 361.507 4.567 0 40 FJAB CC(C)Sc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 224982588 PYTMIWHXDQVERR-UHFFFAOYSA-N 369.515 4.887 0 40 FJAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C)c(C)c1 225622140 ZFVYGLJCHJWJLZ-SFHVURJKSA-N 360.295 4.876 0 40 FJAB O=C(O)/C=C/c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 226322528 MBWRDKGQTBTAJJ-CCEZHUSRSA-N 357.409 4.555 0 40 FJAB CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226328883 XFFDUMXJZDCFNJ-UHFFFAOYSA-N 369.642 4.858 0 40 FJAB CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409014186 GJIVKXWWEZNEMY-LDADJPATSA-N 353.443 4.710 0 40 FJAB CCc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)cc1 409096873 GUYBKGBHTDLYKC-UHFFFAOYSA-N 372.497 4.967 0 40 FJAB O=C(COc1ccccc1)c1ccc(Br)cc1C(F)(F)F 575243156 OYXOIGAQUWUTBP-UHFFFAOYSA-N 359.141 4.730 0 40 FJAB CN1[C@H]2CC[C@@H]1CC(NC(=O)N1c3ccccc3C=Cc3ccccc31)C2 848767 LXQVNBKASAWZBY-IHWFROFDSA-N 359.473 4.643 0 40 FJAB Cc1cc2cc([C@@H]3NC(=O)c4ccccc4N3)c(Cl)nc2cc1Cl 1224012 GKBFCMYOSUUTBL-KRWDZBQOSA-N 358.228 4.704 0 40 FJAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccccn1 1403554 YZSCYVROYFOHCX-UHFFFAOYSA-N 373.283 4.692 0 40 FJAB CCOC(=O)CSc1nc(Cc2ccc(Cl)cc2)nc2ccccc12 3063749 VQMJLRXPESZSPG-UHFFFAOYSA-N 372.877 4.529 0 40 FJAB CCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 3294027 PLEAWNGOEUHCGQ-UHFFFAOYSA-N 369.461 4.668 0 40 FJAB COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 6003894 WALIZJPVYYFWPK-PGMHBOJBSA-N 357.409 4.653 0 40 FJAB COc1ccc(F)cc1CSc1nnc(C2CC2)n1-c1ccccc1 6128550 WTPYKDUGWRQEJP-UHFFFAOYSA-N 355.438 4.585 0 40 FJAB CCCC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 6386412 XIKOPHRPTYRAOM-UHFFFAOYSA-N 354.837 4.916 0 40 FJAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1c(Cl)cccc1Cl 6422918 OMMLMCJAGBQHJH-VGOFMYFVSA-N 365.241 4.625 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ncc(Cc2ccccc2)s1 7797709 LOOJQQIXKPMZTP-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccc2ccccc12 8739869 XEGHBXYYVREFAV-UHFFFAOYSA-N 363.417 4.674 0 40 FJAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccoc4C)o3)c[nH]c12 9484239 PZXCMVMQBBTBLE-UHFFFAOYSA-N 367.430 4.657 0 40 FJAB O=C(c1ccccn1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185405 VHHCAFCNJKGOCF-INIZCTEOSA-N 353.447 4.556 0 40 FJAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N/O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1 12859258 WSWBLRYWYTUKKN-CWYMGWIKSA-N 367.489 4.799 0 40 FJAB Cc1cccc(CCCNC(=O)CSCc2c(F)cccc2Cl)c1 13674328 BQWIEFAKUDDCFG-UHFFFAOYSA-N 365.901 4.770 0 40 FJAB Clc1ccc(OCc2ccccc2Cl)c(CNC[C@H]2CCCO2)c1 16449954 GMDYYQSQBJXFRT-QGZVFWFLSA-N 366.288 4.841 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2Cl)o1 16743997 PVZRLVDDFBZDJC-UHFFFAOYSA-N 367.792 4.932 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cc(C)cc(C)c2)cc1 20043197 SUMAVCJHYHMQJO-OAQYLSRUSA-N 355.478 4.594 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 20897385 BEQNBPGRLJBKJT-CQSZACIVSA-N 358.507 4.620 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1C 27583507 AQGJXECFPKGXCD-UHFFFAOYSA-N 371.234 4.973 0 40 FJAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)/C=C/c1ccccc1 27921779 IPRPUSFECNBOMZ-JLHYYAGUSA-N 365.864 4.854 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3ccccc3C)c2)c1 28225176 UXPNMFUTCIGDEL-UHFFFAOYSA-N 371.893 4.867 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 31852040 DPRDOEXKGRSRSH-SFHVURJKSA-N 353.531 4.957 0 40 FJAB CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2Cl)n1 33146372 ZFUFEGUKPAJYKW-UHFFFAOYSA-N 356.253 4.635 0 40 FJAB COc1ccc(Cl)cc1CS(=O)(=O)Cc1ccc(C(C)C)cc1 40060010 DHGBZXRHVZNBGS-UHFFFAOYSA-N 352.883 4.587 0 40 FJAB O=C(NCc1ccc(Br)cc1)c1cc(Cl)ccc1Cl 48817016 CJCRIAOIFWCEJQ-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1 55764702 SZKIHJWMTZEWGG-UHFFFAOYSA-N 354.837 4.505 0 40 FJAB Cc1ccc(Nc2nnc(SCc3nnc(C(C)(C)C)o3)s2)cc1 58358233 HFVWEOWTCPQHFF-UHFFFAOYSA-N 361.496 4.563 0 40 FJAB O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)/C(=C/c2ccncc2)S1 72402064 LPPVDRVHVVWLHN-LCYFTJDESA-N 365.336 4.699 0 40 FJAB COc1cccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(C)o2)c1 95115910 HEODVZDBOOHTPW-KRWDZBQOSA-N 366.442 4.650 0 40 FJAB O=C(O)CS/C(=C/c1cc(F)ccc1F)c1nc2ccccc2s1 97152257 XVCWNQTXWVTYRV-OVCLIPMQSA-N 363.410 4.890 0 40 FJAB CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)cc1 100676472 BCEFAHVTHMJDRY-UHFFFAOYSA-N 351.402 4.516 0 40 FJAB CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc2c(c1)CCCC2 223081610 QMQLVVBVJNRSTL-LJQANCHMSA-N 357.881 4.865 0 40 FJAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)oc1ccccc12 224943761 VGBMYQSBHLPING-UHFFFAOYSA-N 373.408 4.929 0 40 FJAB Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1 224996877 UKVOMNBTLOCENR-UHFFFAOYSA-N 363.288 4.573 0 40 FJAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225163343 FDXYFJZXXFMFHX-GOSISDBHSA-N 369.505 4.643 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1Cl 225307436 RMPKLNUNUGAJBQ-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 225311042 XEZLBSAYDLFZCO-UHFFFAOYSA-N 370.880 4.537 0 40 FJAB CCSc1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)s1 225341360 XBLKFLBZEVCZQR-UHFFFAOYSA-N 362.307 4.528 0 40 FJAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 226261221 NXWSLEBWKFURLD-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB O=C(O)c1cc(OCc2ccc3ccccc3c2)cc(Br)c1O 226346550 IUXGHGJVXHQDML-UHFFFAOYSA-N 373.202 4.585 0 40 FJAB CSc1nc2nccc(-c3cc4c(cc3C)[C@@H](C)CC(C)(C)N4)n2n1 575473145 INYVGCWIXFINMR-LBPRGKRZSA-N 353.495 4.519 0 40 FJAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCC2(CC1)CC2(F)F 670951232 IUXSMMPTSPVAOZ-UHFFFAOYSA-N 361.363 4.879 0 40 FJAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1 977597 AHEVDWNHSDWPHR-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB Cc1ccccc1[C@@]1(O)c2cccc3cccc(c23)[C@]1(O)c1ccccc1C 1654128 GWOCXNRRZOGZJA-CLJLJLNGSA-N 366.460 4.942 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc(C)cc1C)C3 2449402 MHAUBIUGYOLMCK-UHFFFAOYSA-N 369.848 4.982 0 40 FJAB CCOc1ccc(C(=O)Nc2nn(CC)c3nc4ccc(C)cc4cc23)cc1 2454208 AOUPAWOPEBQWQU-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB CCCCOc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 3005482 LMOFLVHZCANYES-QGOAFFKASA-N 355.821 4.863 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1Cl 3602974 IFFGQUKXHXTHPZ-UHFFFAOYSA-N 361.228 4.887 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 4256793 WPIMDPHNFAFTAG-UHFFFAOYSA-N 354.277 4.701 0 40 FJAB CC(C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 4679645 JTQFXZVRKOQCAF-LDADJPATSA-N 353.443 4.710 0 40 FJAB Sc1nnc(-c2ccccc2Br)n1-c1ccc(Cl)cc1 4973840 ZYJZPQTUXUKHLS-UHFFFAOYSA-N 366.671 4.639 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5557401 ULRBLJZSUYWKIG-UHFFFAOYSA-N 361.485 4.817 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2cccnc2)cs1 6503458 XRPPNKKYEDDSIA-UHFFFAOYSA-N 373.865 4.655 0 40 FJAB COCCn1c(C)cc(C(=O)CSC2=Nc3ccccc3CS2)c1C 6588197 XJKLJMRXOMHMTH-UHFFFAOYSA-N 374.531 4.602 0 40 FJAB Cc1nc(S[C@@H](C(=O)N(C)C)c2ccccc2)c2c(C)c(C)sc2n1 7183187 WFXPMRKXPYCFPN-MRXNPFEDSA-N 371.531 4.538 0 40 FJAB Cc1cc(C)cc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)c1 7615903 WQCUUYXZXHFBDO-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)OCc2csc(-c3ccc(C)cc3)n2)c1C 7654487 QARDODQRISMVGS-UHFFFAOYSA-N 368.458 4.623 0 40 FJAB CCOCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 8253152 IJUPHUFXUDERAJ-UHFFFAOYSA-N 369.914 4.505 0 40 FJAB CN(Cc1cccnc1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 8341382 KZCGCEQPTHRWCX-UHFFFAOYSA-N 360.335 4.633 0 40 FJAB CCn1/c(=N\C(=O)c2ccc(OC)cc2)sc2c3ccccc3ccc21 8654196 OAABXKSMKXIWBZ-QURGRASLSA-N 362.454 4.626 0 40 FJAB Cc1ccc(-c2nnc(SCCOc3c(C)cccc3C)n2C)cc1 10264355 DREHQLRCQDFDRW-UHFFFAOYSA-N 353.491 4.578 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1 12691507 AVYHMIWKLHEANY-SFHVURJKSA-N 368.477 4.587 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1 12853550 MYAFGZLGDKLRBE-UHFFFAOYSA-N 372.515 4.882 0 40 FJAB Cc1cccc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c1C 12870087 NHDNYDOMNWALBX-NRFANRHFSA-N 368.477 4.822 0 40 FJAB Cc1ccc(-c2nc(CNC(=O)c3ccc(OC(C)C)cc3)cs2)cc1 15832516 KCDZWGFJRUTJFI-UHFFFAOYSA-N 366.486 4.836 0 40 FJAB CC(C)[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 18891710 ITMOKNGJIVOOSC-VLIAUNLRSA-N 373.880 4.728 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccc(C(C)C)cc1 20045191 FIYFPQJURJUIFI-QFIPXVFZSA-N 353.506 4.943 0 40 FJAB CC(=O)[C@@H](C)SC(C)(C)CNc1ncc(C(F)(F)F)cc1Cl 20385501 YRJSSZOFXQCOLF-SECBINFHSA-N 354.825 4.655 0 40 FJAB Cc1ccc(-n2ncc3c(NCc4ccccc4Cl)ncnc32)cc1C 20662116 KHFPJVFXYAKGTE-UHFFFAOYSA-N 363.852 4.698 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(F)cc1F 22895694 MSCJBNSQMALVFO-UHFFFAOYSA-N 364.442 4.730 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)N2CCCc3cc(F)c(F)cc32)s1 31927496 OHMBNGIJTVEXQQ-UHFFFAOYSA-N 370.424 4.990 0 40 FJAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2NCCCCCCO 33703528 DPRSBWGNESQTLG-LYCSZFELSA-N 371.565 4.759 0 40 FJAB CCOC(=O)c1nn(-c2cccc(C)c2)c2c1CC/C2=C\c1ccccc1 33707054 CIAOJVNLKDIBFV-OBGWFSINSA-N 358.441 4.844 0 40 FJAB CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2Oc2ccccc21 36705387 VJLCIERZJMQCBW-UHFFFAOYSA-N 359.385 4.713 0 40 FJAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)C1 40287880 AAFQLRQJUZIHCU-CYBMUJFWSA-N 359.216 4.698 0 40 FJAB C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1cc2ccccc2o1 42711959 VNSOMKVMXGTSGI-ZDUSSCGKSA-N 351.450 4.753 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)n[nH]2)cc1 51315477 BAIXZFSYFLZUPE-UHFFFAOYSA-N 359.788 4.520 0 40 FJAB CCc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 55104290 KIPABGSEMHDBJF-UHFFFAOYSA-N 355.488 4.665 0 40 FJAB Fc1cccc(-c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)c1 70036925 SLCSJJMNJLBYFZ-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1C=C[C@H]2C1=C1CCCCC1 102707723 JSJKLECSJXUUFW-CAMMJAKZSA-N 353.849 4.522 0 40 FJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 102707726 JSJKLECSJXUUFW-RNIPGJKVSA-N 353.849 4.522 0 40 FJAB CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)[C@H](N)C[C@]4(C)[C@H]3CC[C@]12C 118915656 ZSSPHCDGLYDLSV-OFBJMJJYSA-N 359.554 4.844 0 40 FJAB in-vitro CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccc(C)cc2)cc1 222875194 JZXRVSQBQUZTTI-OAQYLSRUSA-N 371.546 4.764 0 40 FJAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223127073 IPXRSCAIOQRIHA-NRFANRHFSA-N 351.490 4.829 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1F 223386922 OWWHLDMTAVGELE-CQSZACIVSA-N 359.441 4.766 0 40 FJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224669850 QZHJQJLZNUMNEB-UHFFFAOYSA-N 363.788 4.574 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C 225244901 CUFUWXXLGNBVSI-SFHVURJKSA-N 353.506 4.809 0 40 FJAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 226336349 WVMXYAJUTRQWID-VMPITWQZSA-N 367.228 4.767 0 40 FJAB CCc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccn2)o1 332042953 VDIXDGAAIXDGKI-CYBMUJFWSA-N 353.344 4.625 0 40 FJAB CC(C)Sc1ccc(CC(=O)NCc2cncc(-c3ccoc3)c2)cc1 575620592 OZQFPERFJKGUOX-UHFFFAOYSA-N 366.486 4.701 0 40 FJAB CCN(C(=O)c1ocnc1C1CC1)[C@@H](C)Cc1ccccc1C(F)(F)F 585083956 XNIHFNOWLPZJHU-LBPRGKRZSA-N 366.383 4.664 0 40 FJAB CC1([C@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)OCCO1 2049243856 OAWOATRDZLDNDV-BTUXLCJPSA-N 362.554 4.769 0 40 FJAB CC(=O)Oc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2799627 CILDPKSNAVQCJD-MHWRWJLKSA-N 373.817 4.506 0 40 FJAB Cc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1C 2919748 LZNVQBRDZXFMNM-SJORKVTESA-N 356.832 4.834 0 40 FJAB CCCCOc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 3189060 LKOFLPHGAJBFMS-UHFFFAOYSA-N 357.294 4.935 0 40 FJAB biogenic COc1cc(SC)ccc1C(=O)OCC(=O)c1ccc2ccccc2c1 3437728 DIAGLIYBAPIGBM-UHFFFAOYSA-N 366.438 4.610 0 40 FJAB O=C1Nc2ccccc2/C1=C\c1ccc(OCCOc2ccccc2)cc1 3627648 BXZUGQAORHBJTO-LTGZKZEYSA-N 357.409 4.637 0 40 FJAB CCCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCCC2 4193079 YLYKCZWDEWALMG-UHFFFAOYSA-N 352.507 4.671 0 40 FJAB CCn1c([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4225268 UJJWYRNEEGZCQG-CQSZACIVSA-N 353.853 4.539 0 40 FJAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc(Cl)cc1 6659502 WCQJEKLAMYNVHG-UHFFFAOYSA-N 352.246 4.538 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C)c3C)n2)cc1 6881542 WFYJNLKVCUODFH-UHFFFAOYSA-N 365.458 4.638 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1n[nH]c2ccccc12 7137921 CCYGUQUUBXBYJB-UHFFFAOYSA-N 360.851 4.654 0 40 FJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1csc(-c2ccccc2)n1 7777806 JLTDDQAFVKNRLK-GFCCVEGCSA-N 368.424 4.542 0 40 FJAB O=C(/C=C/c1nc2ccccc2s1)N[C@@H]1CCSc2ccccc21 7777935 XGHYTICODVWEQJ-ATWMFIQVSA-N 352.484 4.663 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccccc1C(=O)c1cccs1 8273387 CESPKIAXGBHQIO-UHFFFAOYSA-N 355.846 4.563 0 40 FJAB C[C@H](Sc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1cccc(Cl)c1 8568870 XMSRVHZUQWRQFN-LBPRGKRZSA-N 357.866 4.849 0 40 FJAB CCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 8782404 CFLSNTJFSIZIKR-UHFFFAOYSA-N 358.869 4.645 0 40 FJAB Cc1ccc(C)c(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)c1 9075027 KUTFSJZGWYGYFR-UHFFFAOYSA-N 360.396 4.663 0 40 FJAB O=C(Nc1ccnn1Cc1ccccc1)c1cc2c(F)cccc2s1 9501036 VNWBWLMJDVNSQW-UHFFFAOYSA-N 351.406 4.538 0 40 FJAB CC[C@H](C(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1)c1ccccc1 9572105 RIOFOXVCMOKTKL-FQEVSTJZSA-N 370.456 4.837 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 11169048 UWSKPOHPHIGDBK-LBPRGKRZSA-N 368.260 4.648 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1 12527649 MOFATBKPDHUHFJ-OAHLLOKOSA-N 358.869 4.736 0 40 FJAB Cc1ccc(C)c(NC(=O)c2ccccc2SCc2nc(C)no2)c1 12819131 NGASTLROOZVGHE-UHFFFAOYSA-N 353.447 4.539 0 40 FJAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)n2)cc1 13036984 LBJHKBCJCBZFTN-SFHVURJKSA-N 361.445 4.689 0 40 FJAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1c(Cl)cccc1Cl 14240373 SNYJVFBVSUQWLK-JTQLQIEISA-N 355.290 4.613 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3c[nH]c4ccccc34)sc2C)cc1 14246515 KSAJJLDIZBRTOM-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB O=C(Oc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cccs1 14630379 BNZPHLGOYICQCI-UHFFFAOYSA-N 357.818 4.873 0 40 FJAB CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)cc1 14811146 WEGOVULLKAFRJV-JLHYYAGUSA-N 374.440 4.553 0 40 FJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)CC(C)(C)C)n1 19558262 XHPASLFQCWUMPM-QGZVFWFLSA-N 370.497 4.547 0 40 FJAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 19601249 LLKHBVHGQPLQNA-UHFFFAOYSA-N 370.399 4.578 0 40 FJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C(C)C)cc1 20137634 RJGSVIGKSXTMCA-UHFFFAOYSA-N 365.429 4.823 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCc1ccccc1 20407012 ODIUWSGXFVVAKM-UHFFFAOYSA-N 371.362 4.965 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccccn2)ccc1Cl 21524343 XEUTZNJUHDYHSO-OAHLLOKOSA-N 370.836 4.637 0 40 FJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1CC=CCC1 21930587 PKEJVMGTNXSJRL-FQEVSTJZSA-N 371.484 4.854 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)c(Cl)c3)cc(C3CC3)nc21 23131640 UUZORTLOPYTRSB-UHFFFAOYSA-N 372.831 4.934 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC3)cc1Br 24716083 PNIMDVJQQRQCGT-UHFFFAOYSA-N 374.278 4.518 0 40 FJAB O=C(Cc1ccccc1)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623271 YAQKXXRYBZOMQO-UHFFFAOYSA-N 373.387 4.724 0 40 FJAB CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(C)cc2)CCCC1 35622588 CCLSRCNUCPXVDC-UHFFFAOYSA-N 361.493 4.723 0 40 FJAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 36621154 HRGVDUOESXXHBB-HXUWFJFHSA-N 361.482 4.550 0 40 FJAB COc1cc(C)c(N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1OC 40086338 OIGFUPBFDFNPAU-LBPRGKRZSA-N 361.392 4.930 0 40 FJAB COc1cc(Br)c2oc(Cc3ccc(Cl)cc3)nc2c1 45920268 FRCHDRAEKSHLJS-UHFFFAOYSA-N 352.615 4.843 0 40 FJAB CCOc1ccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)cc1 67172364 XOKAUGPYRCCBFX-UHFFFAOYSA-N 365.824 4.611 0 40 FJAB 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0 40 FJAB Cc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12929306 CAXWVMNJCPPYNX-JOCHJYFZSA-N 362.498 4.643 0 40 FJAB COc1ccc([C@H](NC(=O)CSc2ccc(F)cc2F)C(C)C)cc1 13012639 QDPBYLBYUSWHQQ-LJQANCHMSA-N 365.445 4.579 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1F 14136825 QXYIXISUJJWBPR-JTQLQIEISA-N 364.442 4.570 0 40 FJAB COCc1c(C(=O)Nc2ccccc2Br)oc2ccccc12 14198415 AVYODDRNYIJCRP-UHFFFAOYSA-N 360.207 4.594 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 15782951 JFPLRQPUJRDMLX-UHFFFAOYSA-N 367.408 4.752 0 40 FJAB CCOC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1 16887156 NLZLBYZGORFLFU-UHFFFAOYSA-N 350.374 4.546 0 40 FJAB CC(C)n1c([C@@H](C)NC(=O)C(C)(C)c2ccc(F)cc2)nc2ccccc21 19718397 BBCUYBLMECWXMC-OAHLLOKOSA-N 367.468 4.911 0 40 FJAB Cc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c1C 19909550 YQXGWAYEGUAKNC-CQSZACIVSA-N 367.832 4.933 0 40 FJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20141947 YYZHYSHDKLLGOC-OAHLLOKOSA-N 365.429 4.869 0 40 FJAB Cc1ccc2c(c1)-c1c(c(N3CCN(C)CC3)nc3ccccc13)CS2 20405354 IIJUPUPOSCJQLR-UHFFFAOYSA-N 361.514 4.568 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1 20452873 SSBSAXYJLYJURE-MRXNPFEDSA-N 352.261 4.948 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3cc2OC)c1 20482661 SDDLAZRJXPFVAJ-UHFFFAOYSA-N 369.804 4.541 0 40 FJAB Cc1cccc(C)c1NC(=O)CSCc1ccccc1Br 22830838 YNDBWOHCSAXUDJ-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 24578198 BISJUMGZMVGBHY-CYBMUJFWSA-N 353.409 4.811 0 40 FJAB Cc1csc(CCNc2ncnc3sc(-c4ccccc4)cc23)n1 24829774 OLEWXJMKMKSDDU-UHFFFAOYSA-N 352.488 4.778 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccc(Br)cc1 32753935 JLPVHUWIUUYVSD-ZDUSSCGKSA-N 372.262 4.957 0 40 FJAB OCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 35662572 ACIQNWDAHAKQBV-UHFFFAOYSA-N 362.050 4.827 0 40 FJAB O=C(O)c1ccc(-c2ccc(Br)c(Br)c2)cc1 44563543 AAMIHRCRCVGMJB-UHFFFAOYSA-N 356.013 4.577 0 40 FJAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 44949851 NAXUUJHVDZEGMT-CVEARBPZSA-N 355.478 4.637 0 40 FJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C)c(C)c2)no1 45851733 SGEJARQGOHSZRR-UHFFFAOYSA-N 353.447 4.539 0 40 FJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 48262153 DLSAKWGGNRXTOS-HXUWFJFHSA-N 360.461 4.609 0 40 FJAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(OCc2ccccc2Cl)cc1 49544499 GORHFJBZGAXBHZ-INIZCTEOSA-N 367.836 4.776 0 40 FJAB COc1cc(/C=C/c2ncc(C(=O)O)s2)ccc1OCc1ccccc1 58203313 COUSHXWNTBGFCS-CSKARUKUSA-N 367.426 4.599 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 71863822 GVSJOXIHHCWAKS-SNVBAGLBSA-N 354.233 4.502 0 40 FJAB Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc1-c1ccc(F)cc1 72029913 MXRPGWKLCDYAAJ-DLBZAZTESA-N 352.434 5.000 0 40 FJAB COc1ccc(-c2nc(C)sc2C(=O)Nc2cccc3[nH]ccc23)cc1 72402461 NYKFLWSKKCUELJ-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB Cc1oc(-c2ccco2)nc1CC(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C 75106177 XEKZKEZMZSYPMV-JSGCOSHPSA-N 368.458 4.701 0 40 FJAB O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 107673823 WIGHARIXUQYVBU-NRFANRHFSA-N 374.415 4.531 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 219534078 MZABDYMDKMWRJQ-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 222878072 PDSCHSRNLWUZKZ-HSZRJFAPSA-N 365.517 4.888 0 40 FJAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223147109 GNEMIXLDDQNNNW-GFCCVEGCSA-N 364.272 4.738 0 40 FJAB S=C(NCc1ccccc1)Nc1ccc(Sc2ccccc2)nc1 223923769 PDEHETUFYVTUHO-UHFFFAOYSA-N 351.500 4.719 0 40 FJAB CCCCNC(=O)c1ccc(OCC)c(COc2cccc(Cl)c2)c1 224485192 NTFPKVRRDKESPL-UHFFFAOYSA-N 361.869 4.848 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885467 DHAJAVUFMSSMSI-CQSZACIVSA-N 357.303 4.520 0 40 FJAB COCCN(Cc1ccsc1)C(=O)c1ccc(-c2ccsc2)cc1 225617840 AGYFTZAJKXUVCI-UHFFFAOYSA-N 357.500 4.765 0 40 FJAB CCCSc1nnc(NC(=O)c2cc(C(C)C)c(OC)cc2C)s1 225670804 LOYXTDYEJVNYHY-UHFFFAOYSA-N 365.524 4.733 0 40 FJAB Cc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1Cl 226271788 NMCWBBGYOWRMFB-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB Cc1nc(N[C@@H](C)c2cnn(C)c2C)c2cc(-c3ccccc3)sc2n1 506061909 STFZMURIFLYTJW-LBPRGKRZSA-N 363.490 4.882 0 40 FJAB CC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)O[C@H]1c1ccccc1Cl 633069 GFLXIBRLEOEVOF-INIZCTEOSA-N 368.742 4.598 0 40 FJAB COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 1415871 UCZPQNGWMPRCBE-UHFFFAOYSA-N 362.458 4.562 0 40 FJAB Cc1ccc(C)c(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1 2396856 GYIFHYLLXDZWOF-UHFFFAOYSA-N 370.543 4.783 0 40 FJAB Cc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1Cc1ccco1 2647915 LHYBCZZHIHUEKJ-UHFFFAOYSA-N 361.800 4.800 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)c(C)c1 4496851 AGDJYQHLUJDGGH-UHFFFAOYSA-N 371.437 4.613 0 40 FJAB Cc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1Cl 4952316 BUXCUNWLTVJLBD-UHFFFAOYSA-N 356.897 4.542 0 40 FJAB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccco3)sc2c1 5142059 SXWJHSKYJKUPDX-UHFFFAOYSA-N 363.442 4.694 0 40 FJAB O=C(NCCCSc1ccccc1)c1cc(Cl)c(O)c(Cl)c1 6875352 BOCHAIODDYHGOS-UHFFFAOYSA-N 356.274 4.611 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)cc1 8071323 QLEWOUVREHUFJK-UHFFFAOYSA-N 364.367 4.737 0 40 FJAB CSc1cccc(NC(=S)Nc2cccc(Br)c2)c1 8104202 WJCGJJZJPCDNSD-UHFFFAOYSA-N 353.310 4.980 0 40 FJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1 8155996 UHYJXAGFZYZGNC-UHFFFAOYSA-N 370.884 4.854 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)C2CCC(C)CC2)o1 9388027 RWHRFBVGVCKPRR-UHFFFAOYSA-N 366.465 4.711 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 11666869 LHRQAHGMRMLFEQ-UHFFFAOYSA-N 366.392 4.615 0 40 FJAB Clc1ccc(OCCSc2nncn2-c2ccccc2)c(Cl)c1 12554415 XWANLXKSHIGYMC-UHFFFAOYSA-N 366.273 4.745 0 40 FJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccccc1)CC2 12603175 DTMDQGQIAKLKNM-DEOSSOPVSA-N 359.469 4.852 0 40 FJAB O=C(c1cc(F)ccc1F)N1CCC(c2nc3ccccc3s2)CC1 12761009 LGLAWQUYZMHGPE-UHFFFAOYSA-N 358.413 4.594 0 40 FJAB CSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12784775 SSFYTUJAEWOAQE-UHFFFAOYSA-N 368.483 4.719 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1C 13647962 AESIKFAUTBKRNK-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB CC(=O)Nc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 15314915 WIWKBMJMBKAWFA-UHFFFAOYSA-N 372.509 4.518 0 40 FJAB O=c1c2ccccc2nc(O)n1-c1cc(Cl)ccc1Oc1ccccc1 15424789 NEJGUZDDYZDZNQ-UHFFFAOYSA-N 364.788 4.537 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCC2=O)cc1 15982815 VPIAHDDFWNQIML-UHFFFAOYSA-N 368.436 4.637 0 40 FJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1 17076401 LSEQORNDQWEMLS-UHFFFAOYSA-N 373.294 4.687 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 18184419 QJVRYORPJPVQIB-UHFFFAOYSA-N 366.486 4.829 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccn2)ccc1Cl 21524345 XEUTZNJUHDYHSO-HNNXBMFYSA-N 370.836 4.637 0 40 FJAB CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 22512632 UQVIYLLTHBWDLO-XMMPIXPASA-N 359.469 4.842 0 40 FJAB O=C(Cc1ccccc1)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 32093767 QOOZFQFYKXDMEW-UHFFFAOYSA-N 363.804 4.724 0 40 FJAB CCCCc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1 32119165 FDVOCDBLCSMSNZ-UHFFFAOYSA-N 354.475 4.965 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 38935628 KKHILURITHNBKB-JOCHJYFZSA-N 356.469 4.975 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(F)cc1 44087076 DHXJFLPGWGNABM-UHFFFAOYSA-N 370.449 4.642 0 40 FJAB CCc1ccc2c(CN3CCC[C@@H]3c3cccc(OC)c3)cc(=O)oc2c1 57562993 SIWHBSPRRKSWHS-OAQYLSRUSA-N 363.457 4.701 0 40 FJAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCCCCCC2)cn1 58431941 VHZGDBIHJDFHBR-UHFFFAOYSA-N 369.465 4.989 0 40 FJAB CCCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2ccccc21 64963671 PPFPSXODYJLTMY-UHFFFAOYSA-N 365.820 4.782 0 40 FJAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1Oc1ccccc1 72212239 GIPXGQCVFQLUEU-UHFFFAOYSA-N 370.449 4.752 0 40 FJAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3cccc(Cl)c3)C2)n1 72369942 OTGWGOKLQZVOLD-INIZCTEOSA-N 353.853 4.688 0 40 FJAB Cc1ccsc1CN(C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 76096116 CDAXMTJXOVIIEX-UHFFFAOYSA-N 366.870 4.535 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCCCC[C@@H]1C[C@@H](O)c1cccs1 79046281 NAOPTJYMJGOFFW-IAGOWNOFSA-N 362.470 4.787 0 40 FJAB Cc1c(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)oc2c(C)cccc12 84230390 YENVOBKCKKTGPQ-GOSISDBHSA-N 369.848 4.917 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3Cc4ccccc4S3)ccc2o1 84325163 GLDYXKJZVVBRRB-KRWDZBQOSA-N 352.459 4.781 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@H](CCCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100740695 WJHCKHVBUITAAF-BKZNIZDZSA-N 351.531 4.936 0 40 FJAB biogenic O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 102729841 ZTRBOBVGGNZMJG-GNOZYDCWSA-N 358.485 4.875 0 40 FJAB COc1ccc(CCC(=O)N2CCS[C@H](c3ccccc3C)CC2)cc1 219282448 NLKHFOHRVBYAEO-NRFANRHFSA-N 369.530 4.643 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(OC)cc1 223283777 CMSQELUTSPVRIG-AOMKIAJQSA-N 367.489 4.609 0 40 FJAB COc1ccc(C(=O)NCc2ccco2)cc1CSc1ccc(C)cc1 224334613 QQBFIVQZVYJAGI-UHFFFAOYSA-N 367.470 4.819 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1C1CCCC1 225005628 HBMLTECTURYZBU-CVEARBPZSA-N 363.939 4.712 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225582276 NBVJPQMXUSOUAE-INIZCTEOSA-N 373.488 4.646 0 40 FJAB CCOc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)cc1 2049251898 HJQFFJWJSQZZKZ-HSZRJFAPSA-N 358.441 4.936 0 40 FJAB S=C(Nc1ccccc1)Nc1nc2ccccc2n1Cc1ccccc1 602938 VYVRAYGFPGIUSS-UHFFFAOYSA-N 358.470 4.894 0 40 FJAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O 872101 XOCHAOUYLQXXBR-NRFANRHFSA-N 360.413 4.562 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1C 873355 HHHRZHVCTJGJMM-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB COc1ccccc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 956099 LZIJDDFQOIEQDL-UHFFFAOYSA-N 369.461 4.738 0 40 FJAB Cc1ccc2cc(CN(C(=O)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1C 1359403 NDESSOIUKVVUTB-UHFFFAOYSA-N 374.484 4.730 0 40 FJAB O=C(NCc1ccccc1)c1cccnc1SCCC(F)=C(F)F 1402592 YMUKLBILQCFXND-UHFFFAOYSA-N 352.381 4.571 0 40 FJAB Cc1ccc(-n2ncc3c(NCc4cccc(Cl)c4)ncnc32)c(C)c1 1467504 AREXGDFFFGSCHL-UHFFFAOYSA-N 363.852 4.698 0 40 FJAB O=c1c2cc(-c3ccccc3)sc2nc2sc(-c3ccccc3)nn12 1616697 ZJENAUVDXNVXPT-UHFFFAOYSA-N 361.451 4.700 0 40 FJAB C[C@H](CN1CCCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698622 QZUSABKVUXHRGF-GCJKJVERSA-N 357.925 4.892 0 40 FJAB CCOP(=O)(OCC)[C@@H](Sc1ccc(C)cc1)C(=O)N(CC)CC 1821881 PEVCUUGIMZXVIF-KRWDZBQOSA-N 373.455 4.548 0 40 FJAB CC(C)OP(=O)(NC(=O)Nc1ccc(F)c(Cl)c1)OC(C)C 2243752 VNMSRSZVPIMVIG-UHFFFAOYSA-N 352.730 4.559 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 2277456 OSHXKEOHDFTEGS-UHFFFAOYSA-N 370.543 4.692 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 3094693 FPPPPXKOSGBOKJ-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1nc(C)c(C)s1 4849293 BMYGZGGOIPYSTK-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB O=c1c(Cl)c(NC2CCCCC2)cnn1C12CC3CC(CC(C3)C1)C2 5053625 DTVIQPVSWQTOQH-UHFFFAOYSA-N 361.917 4.567 0 40 FJAB Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 5189988 JEEQHUUJEKDZHQ-UHFFFAOYSA-N 354.715 4.827 0 40 FJAB COCCn1cc(NC(=O)Nc2cc(Cl)ccc2C)c2ccccc21 5266543 KBMJIDHKVYQCGT-UHFFFAOYSA-N 357.841 4.894 0 40 FJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(F)c2)cc1 7087946 MCNJTLAURADFLV-FQEVSTJZSA-N 366.367 4.745 0 40 FJAB CC(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542703 NVEQFMSUIIILGY-HNNXBMFYSA-N 367.880 4.866 0 40 FJAB COc1ccccc1NC(=N)SCc1cc(=O)oc2cc(C)c(C)cc12 7666436 VEOUCMWMYQZUKJ-UHFFFAOYSA-N 368.458 4.699 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1OC 7989282 CXRDBHGUQRKCQV-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB CSc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 8169567 VSBBKYJNRZTVHB-LICLKQGHSA-N 366.467 4.517 0 40 FJAB Fc1cccc(CSc2nnc(Cc3cccs3)n2C2CC2)c1F 8252079 OJAXYUDJHOENON-UHFFFAOYSA-N 363.458 4.836 0 40 FJAB C[C@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 8490245 IMQFNJDRZGWDQA-VIFPVBQESA-N 371.289 4.592 0 40 FJAB COc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 9668226 JJMWTDVCHSWLCC-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1OCC(F)(F)F 10115602 JFXKPQZKRSYTBW-UHFFFAOYSA-N 362.351 4.680 0 40 FJAB O=C1C[C@H](c2cccc(OCc3ccc(F)cc3)c2)c2sccc2N1 12428851 ZJSKHRFOFUDCTR-QGZVFWFLSA-N 353.418 4.940 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(F)ccc1F 12603602 MTTIKUQOVIMMDM-UHFFFAOYSA-N 355.369 4.593 0 40 FJAB O=C(N[C@H]1CCCc2ccccc21)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12791373 PWJCCCIOQWCWFO-PHSGOXPASA-N 373.587 4.793 0 40 FJAB C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)c(F)c1 12818235 YVILNYBBPZNYPO-VIFPVBQESA-N 350.415 4.641 0 40 FJAB Cc1ccc(Cn2c(NCc3ccc4c(c3)OCO4)nc3ccccc32)cc1 12867894 KYLXQRBMKYSNGH-UHFFFAOYSA-N 371.440 4.734 0 40 FJAB CC(C)c1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)o1 12986777 LXWZIGNGWMGCHL-CQSZACIVSA-N 367.474 4.979 0 40 FJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1 14029958 RJDQXUVYQDLMIV-UHFFFAOYSA-N 356.491 4.609 0 40 FJAB COc1cc(C(=O)N(C)Cc2ccccc2)ccc1OCc1ccccc1 14247706 NJPAERUJSOKZHP-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 14796210 IMSFUWJNCBEUIW-OAHLLOKOSA-N 352.478 4.765 0 40 FJAB COc1cc(C(=O)Nc2cccc(F)c2)ccc1OCc1ccccc1 15414624 AGIAZMJYYGUOIF-UHFFFAOYSA-N 351.377 4.666 0 40 FJAB Cc1cccc(CSc2nc(=O)n(-c3cccc(C)c3)c3c2CCC3)c1 15840560 JGPMRXYPCCCQBG-UHFFFAOYSA-N 362.498 4.630 0 40 FJAB CCOC1(OCC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCC[C@@H]12 16925085 VUHCAGIYGJNWDI-WTTBSCSTSA-N 360.108 4.844 0 40 FJAB O=c1c2c(o/c(=N/c3ccccc3)n1-c1ccccc1)CC1(CCCCC1)C2 17105894 ZAHIZEYJLOEIBA-WJTDDFOZSA-N 372.468 4.712 0 40 FJAB COc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 18094145 YNNMSYVIEPCMFU-INIZCTEOSA-N 368.477 4.812 0 40 FJAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)CC1CCCCC1 19239561 ZCPDKMBDWYOPLJ-HXUWFJFHSA-N 366.509 4.804 0 40 FJAB COc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)ccc1C 21588794 WDGVXKIWKOLYKD-UHFFFAOYSA-N 366.442 4.582 0 40 FJAB Cc1noc(-c2ccc(C(=O)Nc3ccccc3SC(F)F)cc2)n1 23007472 SCCTVMZFGKMSEL-UHFFFAOYSA-N 361.373 4.612 0 40 FJAB CSc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 23531427 WXTBPCRZUXHPRV-UHFFFAOYSA-N 367.514 4.519 0 40 FJAB O=C(c1ccc(Br)o1)N1CCCc2cc(C(F)(F)F)ccc21 24467030 QNGQAOZNXUYGJK-UHFFFAOYSA-N 374.156 4.654 0 40 FJAB O=C(c1cc2ccccc2s1)N1CCC(c2nc3ccccc3[nH]2)CC1 24842224 OVUVJTNSZRYNTD-UHFFFAOYSA-N 361.470 4.797 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1C 25328744 PTUZTSXESUMRQZ-LSDHHAIUSA-N 361.869 4.644 0 40 FJAB Cc1ccccc1-c1cc(C(=O)N[C@@H](C)C2CC2)c2cnn(C(C)C)c2n1 25772662 MMJGGGKECLLPHF-HNNXBMFYSA-N 362.477 4.516 0 40 FJAB Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663719 XLGXZWHPYRSTMX-HXUWFJFHSA-N 356.897 4.605 0 40 FJAB Cc1ccc(Cn2cc(NC(=O)Nc3ccc(F)c(Cl)c3)cn2)cc1 27920033 HANGKMHUTCXWIK-UHFFFAOYSA-N 358.804 4.676 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 46709477 SYDRELCVFBEPIF-UHFFFAOYSA-N 374.440 4.869 0 40 FJAB CCCN(Cc1ccc(F)cc1)Cc1nnc(-c2ccccc2Cl)o1 72318944 NFGAVFLOLVHREW-UHFFFAOYSA-N 359.832 4.941 0 40 FJAB Cc1ccc(CN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)cc1 72390095 OODKBXQKLGMKID-KRWDZBQOSA-N 353.491 4.795 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4cccc(F)c4)C3)o2)s1 72390106 RSVCXYAUFGBOIP-HNNXBMFYSA-N 357.454 4.625 0 40 FJAB Cc1nc(-c2ccccc2)sc1CNC(=O)CCSc1ccccc1 85470937 HHRDBDTVQZQYEV-UHFFFAOYSA-N 368.527 4.917 0 40 FJAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1C 102611195 HHCOFGUPYPPBJL-QFIXIFRTSA-N 361.441 4.797 0 40 FJAB Cc1ccc(CNC(=S)Nc2ccc(Nc3cccc(C)c3)nc2)cc1 223945186 HAQCGGASQZTWIT-UHFFFAOYSA-N 362.502 4.929 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(OC)cc2)c1 224603363 FYRINALCXQJMTM-INIZCTEOSA-N 371.477 4.591 0 40 FJAB Cc1cc(C)c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 225643370 RBBSOKLFDFUHLC-UHFFFAOYSA-N 356.897 4.536 0 40 FJAB COC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257349603 PGQGNHJPSJHIQE-LODXKARKSA-N 374.521 4.670 0 40 FJAB COc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1OC(C)C 408903469 YHQRBXZZIGLPPW-SFQUDFHCSA-N 369.442 4.723 0 40 FJAB CSCCCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 609857679 SOQAWCGRVMSITC-UHFFFAOYSA-N 360.426 4.618 0 40 FJAB O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2C(F)(F)F)o1 1889148827 CODDYVIABKBJPX-UHFFFAOYSA-N 358.275 4.529 0 40 FJAB CC[C@H](c1cccc(Br)c1)[C@H](C(=O)O)c1ccc(OC)cc1 1609001 DUKFXBHKTLPGGV-IAGOWNOFSA-N 363.251 4.820 0 40 FJAB CCOc1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 2556189 AMWGNTNTNSORNE-BJKOFHAPSA-N 374.436 4.987 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)c1 3389356 QYWVWEGXIHMVOW-INIZCTEOSA-N 355.488 4.627 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1 4071248 NGSVUMPEDJYHJD-UHFFFAOYSA-N 364.426 4.719 0 40 FJAB Cc1cccc(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)c1 4072099 FAKCRYVEUFQZOC-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB COc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 4682616 DJVZJZMLECRIGC-CYBMUJFWSA-N 374.868 4.651 0 40 FJAB O=C(NCc1ccc(Cl)cc1)C1(Cc2nc3ccccc3[nH]2)CCCC1 6648022 DNPVEWNBIZAHIW-UHFFFAOYSA-N 367.880 4.636 0 40 FJAB O=C(Nc1ccnn1C1CCCCC1)c1cccnc1Oc1ccccc1 6879461 FIHNMFABEUPWFK-UHFFFAOYSA-N 362.433 4.828 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3F)n2c1 6971064 VWXLJYUDDPXAJS-UHFFFAOYSA-N 363.367 4.840 0 40 FJAB C/C=C/c1ccc(OCCn2c([C@@H](O)CC)nc3ccccc32)c(OC)c1 7425151 CTXRALLIYFNSDT-AMGQUURNSA-N 366.461 4.600 0 40 FJAB CC(C)OCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 7778665 CKHRNMWFKFUVPE-UHFFFAOYSA-N 367.445 4.905 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1 8050601 KVXMGLHCJUACMV-SFHVURJKSA-N 363.910 4.547 0 40 FJAB COc1cc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1 8060894 SGCZTEZJFATPHF-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1C 8497682 KOAYVEOCLFFNTJ-GFCCVEGCSA-N 366.230 4.611 0 40 FJAB O=C(OC[C@@H]1CCCO1)c1cccc(COc2cccc3ccccc23)c1 8951956 XTAROTNZAQKBEB-FQEVSTJZSA-N 362.425 4.755 0 40 FJAB c1ccc(CSc2nnc(SCc3nc4ccccc4[nH]3)s2)cc1 9367079 XODMZEVOXASEHR-UHFFFAOYSA-N 370.528 4.999 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1Cl 9942853 QVWQZLARGJMCKP-UHFFFAOYSA-N 362.838 4.934 0 40 FJAB O=C(CN1CCc2sccc2C1)Nc1ccccc1Oc1ccccc1 10341000 VUJXKCAZRBXXOP-UHFFFAOYSA-N 364.470 4.537 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCSc1ccccc1 11059342 CRLHWTKQXAMZAA-UHFFFAOYSA-N 351.475 4.610 0 40 FJAB Cc1cc(C)c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c(C)c1 11620728 OCAPLUNQZDWHJN-UHFFFAOYSA-N 371.912 4.916 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccncc3)no2)cc1 12143935 WERIJQCVTFZTIU-OAQYLSRUSA-N 363.461 4.863 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)cc1 12995729 XCXFYXXRIVPAIC-WDBUWWRISA-N 352.478 4.729 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 13001915 AZWUNBFKUGABPR-LLVKDONJSA-N 362.907 4.945 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2CCc2ccccc2)c1 13688303 CPOGAAAQVXNAFS-UHFFFAOYSA-N 373.452 4.819 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1nc(Cl)ccc1Cl 14377287 YOIHICJVVQAMLQ-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccco1 15225288 VOSDTOLLVZWTPR-GQCTYLIASA-N 356.274 4.649 0 40 FJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1cc(C)ccc1C)=C2 15838667 ZEHANQWSPDDLHB-UHFFFAOYSA-N 355.821 4.894 0 40 FJAB O=C(CSc1ccc(F)cc1)N[C@H]1CCSc2ccc(Cl)cc21 16298939 MDALAUCAOHCZFV-HNNXBMFYSA-N 367.898 4.925 0 40 FJAB Cc1ccccc1CN1CCC(c2nnc(-c3sccc3C)o2)CC1 19237169 YOAVARKJKQVYKH-UHFFFAOYSA-N 353.491 4.795 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)cc1 20044547 GZEQZDLUIDSWET-HXUWFJFHSA-N 355.478 4.564 0 40 FJAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCc3ccccc3)nc2C1 20102010 FPVHNXHYGKCXLD-IBGZPJMESA-N 371.484 4.661 0 40 FJAB COc1ccc(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)cc1 22072772 IJTFMCSTAWMJSN-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB CC(=O)Nc1ccc(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 25720786 FXZJAFVUUBEZJR-UHFFFAOYSA-N 372.635 4.753 0 40 FJAB CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 32622890 QUTRJYFNQFRSSO-UHFFFAOYSA-N 365.433 4.787 0 40 FJAB Cc1ccc(C)c(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)c1 33529597 AVRDKIBQZMMMGF-UHFFFAOYSA-N 363.457 4.868 0 40 FJAB OC1=Nc2c(ncn2-c2ccccc2C(F)(F)F)[C@H](c2ccc(O)cc2)C1 40267515 FOGABCIDGCDGRU-ZDUSSCGKSA-N 373.334 4.720 0 40 FJAB O=S(=O)(Cc1nc2ccccc2s1)Cc1c(Cl)cccc1Cl 44644169 GMGRTECRQDVZFJ-UHFFFAOYSA-N 372.298 4.718 0 40 FJAB O=C(/C=C/c1cscn1)N[C@H](c1ccccc1)c1cccc(Cl)c1 50332250 GFKHSRLMVJJFGM-JBVUFVISSA-N 354.862 4.716 0 40 FJAB Cc1cc(C)cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c1 64471814 PDVVIIMFQUAUPO-UHFFFAOYSA-N 363.436 4.970 0 40 FJAB CCCNc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72213165 LMKACBYLVNFNPX-LJQANCHMSA-N 353.466 4.767 0 40 FJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2ccccc2)n1 72357595 HMITWHXOHKYIIL-QFIPXVFZSA-N 372.468 4.658 0 40 FJAB Clc1cccc(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72359405 OTPHLUHBQKVFDB-GOSISDBHSA-N 364.880 4.572 0 40 FJAB CN(C(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccc(F)cc1 83869332 DNPAQVIJJAFAHB-UHFFFAOYSA-N 363.436 4.692 0 40 FJAB CCOc1ccc(-c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OCC 85385074 JJUOXNUAIHFADW-UHFFFAOYSA-N 373.840 4.502 0 40 FJAB CCc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)C2)cc1 95946338 FVJQBDDQZPAVOW-IBGZPJMESA-N 371.278 4.709 0 40 FJAB O=C(NCCCc1ccccc1)NCc1ccccc1-c1ccsc1 96122952 ORMAYCRMGJMVQW-UHFFFAOYSA-N 350.487 4.847 0 40 FJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102681830 WUYKWGBQZCUCIQ-RNIPGJKVSA-N 353.849 4.522 0 40 FJAB Cc1noc2c1[C@H](c1cccnc1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102726778 WBSCCSKSHRJOCG-QRWLVFNGSA-N 373.412 4.691 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1 128295295 DQVNRVXKISMMPM-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1 216865941 KMOFJBMDMIFSSZ-UHFFFAOYSA-N 351.494 4.727 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@H]1c1ccsc1 217636212 KCBIEPOYSFABJC-HNNXBMFYSA-N 367.923 4.833 0 40 FJAB CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)c(C)c1 222988383 OTEUPPOHVHGKRY-FQEVSTJZSA-N 369.486 4.586 0 40 FJAB CC[C@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223130783 HGQMTMGNHGOAKQ-FQEVSTJZSA-N 357.519 4.612 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc2O1 224346742 YKNCXQRKWLOIBM-YLJYHZDGSA-N 367.489 4.961 0 40 FJAB COC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226340190 WGRFYMKMQAUORK-UHFFFAOYSA-N 373.605 4.607 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(C)cc2)cc1 408698381 NBVIULVWMLICPA-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1scnc1C1CC1 512776204 KFKLWDXMDHZFGP-UHFFFAOYSA-N 353.422 4.782 0 40 FJAB CC(C)Cn1cc(NC(=O)C2(c3cccc(F)c3)CCC2)c(C(F)F)n1 536444721 SJSIHHJSXKFJOU-UHFFFAOYSA-N 365.399 4.676 0 40 FJAB CN(Cc1cccc(Br)c1)c1cccc(OC(F)(F)F)c1 585090257 ZVFJGTXUULOAAO-UHFFFAOYSA-N 360.173 4.984 0 40 FJAB C[C@H]1CC[C@@H](c2noc(C3(c4cccc(OC(F)(F)F)c4)CCC3)n2)O1 624685223 JYGDSDZMFLLCCF-FZMZJTMJSA-N 368.355 4.678 0 40 FJAB O=C(OCc1cnc(C2CC2)o1)c1sc2cccc(F)c2c1Cl 1596761290 HKWZTWLQBWMASE-UHFFFAOYSA-N 351.786 4.916 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1Cl 682870 FROTVSUGPDDUPP-UHFFFAOYSA-N 353.230 4.865 0 40 FJAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 687417 AOARTXOLQSBLIU-UHFFFAOYSA-N 353.447 4.591 0 40 FJAB Cc1ccc(-c2csc3ncnc(N4C[C@@H](C)O[C@H](C)C4)c23)cc1C 1104214 ODMTYSQVXGKFMD-HUUCEWRRSA-N 353.491 4.589 0 40 FJAB CCc1ccccc1N1COc2c(cc3c4c(c(=O)oc3c2C)CCC4)C1 2158898 QBIJKYJPAGEXPP-UHFFFAOYSA-N 361.441 4.509 0 40 FJAB biogenic CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccccc2)cc1 2371619 YAAYRNWARXLNIC-HFZDXXHNSA-N 373.433 4.696 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 2648547 XVCMDSKITAFWHU-LLVKDONJSA-N 373.758 4.953 0 40 FJAB CCc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1F)OCO3 4849518 RYQBRWYXQCMSSY-UHFFFAOYSA-N 369.417 4.640 0 40 FJAB c1ccc(C2=NO[C@]3(c4ccccc4)S[C@H]4CCCC[C@H]4CN23)cc1 5837303 HIYZCGIQTOFBHX-HFSMHLIXSA-N 350.487 4.797 0 40 FJAB CCCCn1nc(NC(=O)C2CCCCC2)c2cc3ccccc3nc21 6072987 BIXJDHGXXIJQTL-UHFFFAOYSA-N 350.466 4.903 0 40 FJAB O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 6626381 FBKRXZTWJCACPZ-MRXNPFEDSA-N 372.877 4.692 0 40 FJAB O=C(CCc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 7312489 VJIXTZZGMVYEQE-UHFFFAOYSA-N 368.477 4.774 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 7929268 ACRPHAXFKVKZIG-WMZOPIPTSA-N 365.473 4.775 0 40 FJAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C 8330595 LEMBXUGWAVCUGN-GFCCVEGCSA-N 363.866 4.554 0 40 FJAB CCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 9139850 HKPIVQFGEZUXDN-UHFFFAOYSA-N 371.893 4.984 0 40 FJAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccncc4)nnc3s2)cc1 9576426 NFDPDHFJMNXNTQ-AWEZNQCLSA-N 363.490 4.598 0 40 FJAB COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1 11865754 VAWMOQICJIXTRX-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1cccs1 12595421 AVIAXXBYXSLCBN-UHFFFAOYSA-N 364.419 4.636 0 40 FJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C[C@@H](O)c1ccccc1 12788755 BJUMGNUGYMALPB-WZONZLPQSA-N 374.484 4.665 0 40 FJAB O=C(CCc1nc2ccccc2s1)Nc1nc2c(s1)CCCCC2 12828498 DHHDXIOQAHVDRE-UHFFFAOYSA-N 357.504 4.593 0 40 FJAB CCCSc1ncc(CNC2(c3ccccc3OC)CCCC2)cn1 13998298 SBLPDCJYNBAHHH-UHFFFAOYSA-N 357.523 4.546 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 14397192 GCPQYWIUJSETJK-UHFFFAOYSA-N 371.908 4.980 0 40 FJAB CCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CCC)cc1 14838924 HSYXCRRFGRFTEX-UHFFFAOYSA-N 354.450 4.856 0 40 FJAB Cc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)cc1F 15358655 JCNYHVFFCORKCF-FQEVSTJZSA-N 372.440 4.652 0 40 FJAB CSc1ccc(CN(C)C(=O)c2csc(-c3cccs3)n2)cc1 18086239 JLDMPCYCPRCZJM-UHFFFAOYSA-N 360.529 4.866 0 40 FJAB COc1cccc(OC)c1C(=O)N[C@H](c1ccccc1)c1ccccc1C 20492985 AYDZEHHGPQWDOW-JOCHJYFZSA-N 361.441 4.532 0 40 FJAB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 20610154 SKJCEZGNHLTNAK-XNTDXEJSSA-N 368.440 4.635 0 40 FJAB CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(C(C)C)nn2c1C 20797881 NRUMMVFHYMOEJB-UHFFFAOYSA-N 374.444 4.553 0 40 FJAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2c(C)cccc2C)CC1=O 22364506 MJROUYDFQRXMBQ-QAPCUYQASA-N 364.489 4.809 0 40 FJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(Cl)cc1Cl 30556561 PQJCRMANHFGJES-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 38756767 GIPRSBZYBZNZPM-PXNSSMCTSA-N 355.478 4.675 0 40 FJAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39758143 PQIUBHCFKWREGF-UHFFFAOYSA-N 350.506 4.717 0 40 FJAB O=C(Cc1ccc2ccccc2c1)Nc1cnc(-c2cccc(F)c2)nc1 40156843 LWFRZQIXRISPJX-UHFFFAOYSA-N 357.388 4.617 0 40 FJAB CC(C)CCN(C)Cc1nc(O)c2sc(-c3ccc(F)cc3)cc2n1 53363952 WROOIEQLECAYLC-UHFFFAOYSA-N 359.470 4.681 0 40 FJAB Fc1ccc(CN2CCC(NCc3cccc4ccccc34)CC2)cc1F 71810447 LNLDVPLVDWOZSF-UHFFFAOYSA-N 366.455 4.872 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349645 HFLVAAUHUHTIHM-IBGZPJMESA-N 366.480 4.708 0 40 FJAB Cc1ccsc1-c1nnc(C2CCN(Cc3ccc(F)cc3)CC2)o1 72389932 WNTALCUVSGKXPA-UHFFFAOYSA-N 357.454 4.625 0 40 FJAB O=S(=O)(c1ccc(F)cc1)c1cnc2cc(Cl)ccc2c1Cl 85345121 OVVZYBMFWZWESS-UHFFFAOYSA-N 356.205 4.514 0 40 FJAB Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@H]3CC[C@H](C2)N3C)c1 100484247 KVPMZTMVCZWXSC-DHIUTWEWSA-N 374.528 4.739 0 40 FJAB COc1cccc2c1O[C@@]1(C)[C@@H](C)[C@H]2NC(=S)N1c1cccc(Cl)c1 101390456 IZZFVTSNUBNSSI-MAAWUACBSA-N 374.893 4.529 0 40 FJAB CCCCOCc1cc(C(=O)N(C)Cc2ccccc2)ccc1OCC 224729546 LURAEPFUVWKCMN-UHFFFAOYSA-N 355.478 4.674 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1C 224739220 ZVBNDSWWPACQKU-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(Cc3ccc(Cl)cc3)oc12 226271256 IRJJJAHDZWSXTL-UHFFFAOYSA-N 368.742 4.881 0 40 FJAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)n1 257243627 IHVRJUKRJLKTDQ-KRWDZBQOSA-N 367.468 4.779 0 40 FJAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(Cl)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257337083 YRHAXVLNQDYXOS-IKRSMLIOSA-N 353.865 4.640 0 40 FJAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]21 408760519 ADCCDWLRVBCYHO-CZAYHTPWSA-N 355.437 4.611 0 40 FJAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409023598 IFOXGZXXGLAPGC-LDADJPATSA-N 353.443 4.710 0 40 FJAB C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC[C@@H](C)O1 952994847 VBLMSPQFNVMNHA-KGLIPLIRSA-N 360.404 4.663 0 40 FJAB C[Si](C)(C)CCOCn1ccc2cc(Br)c(Cl)nc21 1776010711 AJANPYWGVISYAK-UHFFFAOYSA-N 361.743 4.765 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCCC2 681710 YZCAGGMAGITNNH-UHFFFAOYSA-N 369.895 4.771 0 40 FJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1C 850361 IJIIXCXRBMVMCU-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 959154 ADXFSGHATAQXTF-UHFFFAOYSA-N 359.495 4.727 0 40 FJAB COc1ccccc1Nc1nc([C@@]2(C)C[C@@H](CC(C)C)C(=O)O2)cs1 2134623 MNLGDKIPLXSVRM-BFUOFWGJSA-N 360.479 4.720 0 40 FJAB biogenic Cc1ccc(COc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)cc1 2268283 OAIUYJQWODOPQE-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB Cc1ccccc1-n1c(SCc2ccccc2)nc2ccccc2c1=O 2298467 YCRWMELFOIGWJB-UHFFFAOYSA-N 358.466 4.986 0 40 FJAB CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1cccc(Cl)c1)CC2=O 2312792 NWUSIWXMWPHFPA-AWEZNQCLSA-N 371.868 4.562 0 40 FJAB Cn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21 2341568 LMSKQVULHSYFNW-UHFFFAOYSA-N 366.467 4.581 0 40 FJAB Cc1nc2ccccc2nc1CSCC(=O)Nc1ccc(C(C)C)cc1 2617517 QEUDDODWUYSSII-UHFFFAOYSA-N 365.502 4.934 0 40 FJAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2ncsc2c1 2631414 UYKLILJJPZDPBT-UHFFFAOYSA-N 373.409 4.950 0 40 FJAB O=C(COC(=O)C1CCCCC1)Nc1ccccc1Oc1ccccc1 2648091 TZZJDLSYGJMLIB-UHFFFAOYSA-N 353.418 4.541 0 40 FJAB COc1ccc(CC(=O)N(CC(C)C)c2nc3ccccc3s2)cc1 2653074 IZJXHUXBKJBBJU-UHFFFAOYSA-N 354.475 4.537 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 4341910 NGJNJYWJWNVJGL-UHFFFAOYSA-N 373.522 4.526 0 40 FJAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)c(C)c1 4535328 SKNYHQDRJIJFAL-UHFFFAOYSA-N 374.362 4.642 0 40 FJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1 5155761 UVOCKBWJADXADZ-ZLNRFVROSA-N 369.480 4.703 0 40 FJAB COc1ccc(CNCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 5231480 PZYKMCZWXPLMTD-HSZRJFAPSA-N 353.506 4.702 0 40 FJAB C[C@H](Nc1ccc(Br)cc1)c1nnc(-c2cccs2)o1 5261771 YVJVRYBWYTWUKC-VIFPVBQESA-N 350.241 4.734 0 40 FJAB COc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 5555990 BAKQTTPNRUALAN-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB CCOc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 6935078 DSEQIMMRVSLCFG-UHFFFAOYSA-N 371.436 4.955 0 40 FJAB COc1cc(CSc2nnc(-c3ccoc3C)o2)ccc1OC(F)F 7387614 XPKPABSDBLESIH-UHFFFAOYSA-N 368.361 4.540 0 40 FJAB CCc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 7922444 RUZQERPLUCOIOL-HNNXBMFYSA-N 367.518 4.799 0 40 FJAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCCC2)cc1 8136142 AYKHSRDKTSPVIR-QGZVFWFLSA-N 367.493 4.515 0 40 FJAB O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccc(F)cc1 8162022 SIZZTGYPSQISSM-UHFFFAOYSA-N 351.377 4.536 0 40 FJAB Cc1cccc2c(=O)[nH]c(CSc3c(Cl)cccc3Cl)nc12 8483185 WLUUVOKGJAOIHM-UHFFFAOYSA-N 351.258 4.831 0 40 FJAB COc1ccccc1-c1nc2c3ccccc3nc(SCC(C)C)n2n1 10157702 OIBAAUKYBROKPL-UHFFFAOYSA-N 364.474 4.701 0 40 FJAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Cl)c(Cl)c1 11008327 XRVXKDSMAUKOMJ-LLVKDONJSA-N 353.249 4.842 0 40 FJAB Fc1cc2nc(/C(Cl)=C/c3cc(Cl)c4c(c3)OCO4)[nH]c2cc1F 12602754 AXPIMZZYPFNRPI-MBXJOHMKSA-N 369.154 4.960 0 40 FJAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 12740887 XYHLWZWBJWYBGT-UHFFFAOYSA-N 353.447 4.589 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21 12808582 OQWSALCTKGIJJS-UHFFFAOYSA-N 366.421 4.571 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1cc2c(C)nn(CC(C)C)c2s1 12907174 CXXVSZDSYJZVFP-CYBMUJFWSA-N 371.506 4.562 0 40 FJAB C[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 14109303 UYABFVOTQMWJCR-NSHDSACASA-N 357.372 4.814 0 40 FJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 15544864 XSPFFITYVZEAKO-QGZVFWFLSA-N 362.473 4.616 0 40 FJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc(C(C)C)cs3)c2)n1 19718353 VPDJHZUJIRSEGZ-UHFFFAOYSA-N 374.897 4.975 0 40 FJAB COc1ccccc1CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 22056691 GVROOAQHTKAPTH-HSZRJFAPSA-N 370.452 4.890 0 40 FJAB COc1ccccc1CCC(=O)Nc1ccc(OC)c(OC2CCCC2)c1 24929927 ZCSWPNTVKLSFRF-UHFFFAOYSA-N 369.461 4.597 0 40 FJAB CC(=O)N(c1nnc(SCc2ccc(C(C)(C)C)cc2)s1)C1CC1 25053419 KOZCLYKBOVDHGA-UHFFFAOYSA-N 361.536 4.643 0 40 FJAB Cc1nc(COc2cccc(/C=C/C(=O)N(C)[C@H](C)C(C)C)c2)cs1 27184652 KPMPFTOHQMKDIO-BOLDSZDNSA-N 358.507 4.547 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCCCC2)cc1 27584309 IPHKJQRZUSNPJZ-QFIPXVFZSA-N 350.506 4.651 0 40 FJAB Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cs1 29515858 PENYAYLLXUPDIP-XLBHYRNJSA-N 370.518 4.548 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccsc2)NC(=O)N1c1ccc(C)cc1 32665944 RTIHEOUZGIVMHO-GOSISDBHSA-N 370.474 4.553 0 40 FJAB CCOc1ccccc1CCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 40156071 KVZQFOBWEZZDLM-INIZCTEOSA-N 362.473 4.645 0 40 FJAB COc1ccc([C@H](NC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1 48324937 ZRNJUEBGXJOECD-HSZRJFAPSA-N 370.452 4.706 0 40 FJAB O=C(CCC(=O)c1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 48363819 RPKLHSCVMWUEHQ-UHFFFAOYSA-N 372.424 4.541 0 40 FJAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 65487681 ZSRMCEXJJXATQC-AREMUKBSSA-N 370.518 4.562 0 40 FJAB C[C@@H](O)c1ccc(CNC(=O)c2ccc(C3SCCCS3)cc2)cc1 65552515 HTCZEKYYTPXBRP-CQSZACIVSA-N 373.543 4.539 0 40 FJAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 75582285 AKDJOTWLYDKAEI-NRFANRHFSA-N 353.510 4.787 0 40 FJAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc(-c2ccsc2)cc1 211118002 XSLCRHVPTDRICC-NRFANRHFSA-N 362.498 4.814 0 40 FJAB CCCCOc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216958526 BFOPLKQWBKKSLL-UHFFFAOYSA-N 351.402 4.515 0 40 FJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 222898354 YSYHKQGIKLZOOU-UXHICEINSA-N 368.550 4.771 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2ccc(C)cc2)c2ccccc2O1 223649663 IWIYAHHWLSHZGI-IBGZPJMESA-N 353.462 4.573 0 40 FJAB Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc(F)cc2)cn1 223948779 SFRBSTAUOMIRRV-UHFFFAOYSA-N 366.465 4.759 0 40 FJAB O=C(O)[C@H](Cc1ccc(Br)cc1)Sc1ccc(Cl)cc1 225067048 SLPIYAOQSSQXPZ-AWEZNQCLSA-N 371.683 4.891 0 40 FJAB COc1cc(CNC(=S)Nc2cc(C)cc(C)c2)ccc1OC(C)C 225530113 KXDHLKKQZBNXBX-UHFFFAOYSA-N 358.507 4.586 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2(C)CCCCC2)cc1Cl 225866973 WRARURZSQSJXAF-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCC[C@H](C)C1 225890645 PVRZVHRYHOTMFK-AOMKIAJQSA-N 370.493 4.803 0 40 FJAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2cccnc12 225901102 GJNLTTQIWNYSJM-VFNWGFHPSA-N 356.466 4.557 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)cc1)c1cc(Br)cs1 390828126 AATYKMIJQZSRSW-UHFFFAOYSA-N 362.248 4.701 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)CSCc1ccccc1 575621700 RIFAKYODGDKFCQ-OAHLLOKOSA-N 355.528 4.882 0 40 FJAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105914 YNNCMJRRSNDAFI-MRXNPFEDSA-N 367.464 4.934 0 40 FJAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)COc1ccc(Oc2ccccc2)cc1 1473164 OAJAJQSGTHDMAI-MZNJEOGPSA-N 373.452 4.907 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 1913947 KPSMWNOLXIPUBN-UHFFFAOYSA-N 369.461 4.666 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cc(C)cc1C)CO3 2114505 NMGASMPTECVZOA-UHFFFAOYSA-N 363.457 4.946 0 40 FJAB biogenic O=C(NCc1ccc(Br)cc1)C1(c2ccccc2)CCCC1 2512707 WSGUERFBPNBCCY-UHFFFAOYSA-N 358.279 4.577 0 40 FJAB COC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc(C)c1C 2708142 XSTOWFWQNOJMGX-SECBINFHSA-N 363.504 4.590 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1C 2723694 WTRPADDOOGKABJ-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(NC[C@H](c4ccccc4)N(C)C)c23)C1 3285404 CVERDUYFQPGPKY-RHSMWYFYSA-N 366.534 4.531 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)CSC3)c(C)c1 3893207 SBCBXKBBMGRZQE-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB O=C(c1ccc(Cl)cc1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 4040090 DXXMIUYLXMDARA-FOIQADDNSA-N 365.816 4.631 0 40 FJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1Cl 4154558 GUIPIYSOGOVPHQ-UHFFFAOYSA-N 355.821 4.983 0 40 FJAB CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 4912757 PORYEONLDFRXJG-KRWDZBQOSA-N 353.462 4.829 0 40 FJAB O=C(NCCc1ccccc1)c1cc2sccc2n1Cc1ccccc1 4970885 SFFQQHSCXNDJQZ-UHFFFAOYSA-N 360.482 4.724 0 40 FJAB CCCC(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C 5266729 AMRKLDSLFZATCM-UHFFFAOYSA-N 354.837 4.598 0 40 FJAB Cc1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CC2)cc1 5312941 QLHJUSLTRYPADS-UHFFFAOYSA-N 369.465 4.899 0 40 FJAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc4ccccc34)n2)c1 5520092 JDTGNVGIXUYFQK-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)NC2CCCCC2)cc1 5929004 JAXSNFRLNYIGIG-UHFFFAOYSA-N 351.450 4.702 0 40 FJAB Cc1cc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)ccc1Br 6188959 FRROADXLCXZFHN-WIXUPIFPSA-N 368.230 4.658 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccccc1 7668610 TVAASWHHYIRCGS-UHFFFAOYSA-N 352.478 4.692 0 40 FJAB Cc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)o2)cc1 8726859 AKTUTIZIEUIUIU-UHFFFAOYSA-N 374.849 4.762 0 40 FJAB O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2ccc(Cl)cc12 8828958 QQMMQQNSXXJWPW-UHFFFAOYSA-N 359.134 4.916 0 40 FJAB CCOc1ccc2ccc(OCC)c(/C=C3/SC(=O)N(CC)C3=O)c2c1 9236572 YDNBJEIUPWVKII-LDADJPATSA-N 371.458 4.693 0 40 FJAB CC(C)N(C(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc12)C(C)C 10949542 NLEWCMRUJHTTES-CQSZACIVSA-N 357.523 4.633 0 40 FJAB O=C(Oc1ccc2c(Cc3ccc(Cl)cc3)noc2c1)c1cccnc1 11854273 RIXMLPPGXSZMEE-UHFFFAOYSA-N 364.788 4.686 0 40 FJAB Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 12530973 LGLRACBARNKYLL-DLBZAZTESA-N 373.460 4.643 0 40 FJAB CCCOc1ccc(NC(=O)COc2c(C)cccc2C)c2cccnc12 15840941 QWSQXWBLNPAZFY-UHFFFAOYSA-N 364.445 4.658 0 40 FJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C)c2)o1 15881432 KCAMTXDVVNIYEM-UHFFFAOYSA-N 374.444 4.591 0 40 FJAB COc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 16505019 BQCUBAOWRSRSRU-UHFFFAOYSA-N 357.413 4.595 0 40 FJAB CC(C)COc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20142105 USUALCYAXWXTAJ-UHFFFAOYSA-N 365.429 4.726 0 40 FJAB O=c1c2ccc(-c3ccc(Cl)cc3Cl)nc2[nH]n1-c1ccccc1 20738925 SJVUOTYBXVACIE-UHFFFAOYSA-N 356.212 4.688 0 40 FJAB Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)CCC4)o2)c(C)c1Cl 27981110 FAMMVBIRRPBUHI-UHFFFAOYSA-N 369.852 4.536 0 40 FJAB C[C@@H](C(=O)N1CCC[C@H]1c1ccc(Cl)cc1)n1cnc2ccccc21 30646860 AEHXLIKSONPGLV-KSSFIOAISA-N 353.853 4.614 0 40 FJAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 31236106 KNATWEBLNYMVHV-LJQANCHMSA-N 356.469 4.610 0 40 FJAB CCN(C(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1C 32753834 BHFKQRPRTTWLMZ-UHFFFAOYSA-N 370.449 4.836 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1CC=CCC1 32900328 XXHCBFNQYHWLFW-HKUYNNGSSA-N 362.473 4.815 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(Oc3cnccn3)c2)o1 33137312 RJTXBGYLDWWPJF-IUCDDXOCSA-N 361.401 4.637 0 40 FJAB O=C(Nc1cccnc1)c1cc2occc2n1Cc1ccccc1Cl 36353906 AUKPIBGDDAHZNB-UHFFFAOYSA-N 351.793 4.583 0 40 FJAB CCc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1 40942453 OVUDPAAIXLCSBI-UHFFFAOYSA-N 362.267 4.591 0 40 FJAB Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CO)n1 59816367 OUBGVIRXURSUPH-UHFFFAOYSA-N 354.453 4.524 0 40 FJAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc(F)c1 71763151 NQTHGJQNQIELFF-IBGZPJMESA-N 355.796 4.813 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348982 OHJYPFZHVUJKSF-FQEVSTJZSA-N 374.459 4.836 0 40 FJAB Cc1cccc(CN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)c1 72390104 JFQPWEKUHJUWAQ-QGZVFWFLSA-N 353.491 4.795 0 40 FJAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 96097247 YXKVYOPSESUUAF-OAHLLOKOSA-N 364.228 4.593 0 40 FJAB CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 106701797 UZNULUWDVOAASE-PDGQHHTCSA-N 353.443 4.630 0 40 FJAB C[C@H]1CCCCN1[C@H](C)CNC(=S)Nc1ccc(Cl)cc1Cl 109030900 FODGSWMIZSILCB-NWDGAFQWSA-N 360.354 4.543 0 40 FJAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCS[C@@H](c2ccco2)CC1 219414857 KNCHORZSRZXCIN-MRXNPFEDSA-N 369.408 4.548 0 40 FJAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cccc3ccccc23)c2ccccc12 222611962 HMZXWAXYLRHQMK-HNNXBMFYSA-N 373.408 4.689 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C 222968685 HUFSPTWFUQTWRC-ROUUACIJSA-N 351.490 4.827 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3Cl)o2)c1 224845178 QUHKZHUWUSOMPP-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1 225576690 DGWCCXJAFXADKZ-OAHLLOKOSA-N 374.887 4.569 0 40 FJAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1cccc(Br)c1 390832102 XGLWJMCTQPWVNM-OAHLLOKOSA-N 370.356 4.976 0 40 FJAB CC(C)n1c([C@@H]2CCCN2C(=O)CCCn2cccc2)nc2ccccc21 604418876 QWHLCUPPLHDPCC-FQEVSTJZSA-N 364.493 4.563 0 40 FJAB Cc1sc(NC(C)(C)C)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1 1337750 VZLGBJYUCTWSFV-UHFFFAOYSA-N 355.507 4.628 0 40 FJAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 2052106 KAYIVJQWOYORJS-UHFFFAOYSA-N 367.474 4.806 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3291595 WAGKQBVQTZKKJR-UHFFFAOYSA-N 359.472 4.797 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)cc(Cl)c1)CSC2 4077218 SUVUFCLYIYFNCQ-UHFFFAOYSA-N 370.305 4.944 0 40 FJAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1cccs1 4358706 IWGCFWQXKFBDNT-UHFFFAOYSA-N 362.907 4.806 0 40 FJAB S=C(NC1CCCCC1)N(CCc1nc2ccccc2[nH]1)C1CCCC1 4861848 QCAYASXVTXEPSM-UHFFFAOYSA-N 370.566 4.557 0 40 FJAB aggregator COCc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 5254960 NDGIKXHRIGSNLP-UHFFFAOYSA-N 360.409 4.540 0 40 FJAB COc1cccc(/C=C/c2[o+]c3c(OC)cccc3cc2C(C)=O)c1O 5379179 PRBANZHYULZLLJ-UHFFFAOYSA-O 351.378 4.810 0 40 FJAB O=C(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1ccccc1F 5483023 KZRQSQYYFGJNRX-UHFFFAOYSA-N 359.404 4.670 0 40 FJAB Cc1ccccc1NC(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 6609749 GQWOARGNCNVELK-VAWYXSNFSA-N 369.827 4.934 0 40 FJAB CCOc1ccc(OCCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6654315 CCPYFSGOHBXZDP-LXGFQCHUSA-N 371.521 4.575 0 40 FJAB CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 6747542 FTUNROBXGUZQBY-UHFFFAOYSA-N 367.420 4.589 0 40 FJAB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2 6962816 CHNYPWAEPXXDKP-BIENJYKASA-N 364.401 4.736 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(C)c1-c1ccc(F)cc1 8080290 BQJPPXOXQCQPGQ-XDOYNYLZSA-N 354.450 4.505 0 40 FJAB Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1 8762708 HERBSDRNILRYIV-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O 12539668 MZDCNBRYGUGHDD-GOSISDBHSA-N 361.489 4.911 0 40 FJAB CSc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12755391 IEKNQPFCRRVXIT-UHFFFAOYSA-N 365.414 4.765 0 40 FJAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 12775850 PMOPGOYSODPFOI-UHFFFAOYSA-N 371.396 4.706 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(F)cccc2F)cc1 12915479 AGSAIAMWYUSCSO-LJQANCHMSA-N 374.431 4.529 0 40 FJAB Cc1cc2nc([C@H]3CCCN(C4CCCCC4)C3)cc(C(F)(F)F)n2n1 13226824 XVASHKJSVAUYCK-AWEZNQCLSA-N 366.431 4.569 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCCC1 13708437 VTTBEYLAJKRAQH-MRXNPFEDSA-N 357.519 4.789 0 40 FJAB CCN(Cc1cccc(F)c1)Cn1[nH]c(/C=C/c2ccc(C)o2)nc1=S 14197738 AZAUIMYPJYVEOO-MDZDMXLPSA-N 372.469 4.631 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)cc(C)c1Cl 15835422 HALVGVUBZRAJPU-AWEZNQCLSA-N 354.837 4.911 0 40 FJAB COc1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 16228055 YCCCGDOHPQVEOU-VOTSOKGWSA-N 352.217 4.663 0 40 FJAB c1ccc(CCNCCN(CCc2ccccc2)CCc2ccccc2)cc1 19365523 FSNVBZBDAGOTCT-UHFFFAOYSA-N 372.556 4.606 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1C 20458125 BOPJPRPDSMDDGS-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB Cc1ccc(-c2n[nH]c(SCc3csc(-c4ccco4)n3)n2)cc1 25547572 UUTITFVYNOJQAJ-UHFFFAOYSA-N 354.460 4.789 0 40 FJAB Cc1cc(Br)ccc1SCC(=O)N[C@H](C)c1cccs1 31592397 AWFMFDGVOQHIPS-LLVKDONJSA-N 370.337 4.789 0 40 FJAB CC(C)c1nc(SCC(=O)Nc2ccccc2F)c2ccccc2n1 35290919 SLCYQSJVZQBMAU-UHFFFAOYSA-N 355.438 4.623 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3ccc4sc(C)nc4c3)on2)cc1 35325115 LYFSWAFCRGSULW-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB Cc1cccc2c1N([C@@H](OC(=O)C(C)C)c1ccccc1)C(=O)C2(C)C 38337925 IUCSDBLQFFLVRW-IBGZPJMESA-N 351.446 4.517 0 40 FJAB Cc1ccc(C(=O)C2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)c(C)c1 40086189 QZPPATDVCPDQJC-OAQYLSRUSA-N 371.908 4.585 0 40 FJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(Cn2cccn2)c1 40152273 NPOMQAFXJWUSQE-NRFANRHFSA-N 360.461 4.609 0 40 FJAB CNc1snc(C)c1C(=O)N1CC=C(c2cccc3ccccc23)CC1 63691576 DMKITWGRVAAYLB-UHFFFAOYSA-N 363.486 4.576 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1nc(C)n(-c2ccccc2Cl)n1 63890312 WYTGYNSPOXGDTK-UHFFFAOYSA-N 368.868 4.606 0 40 FJAB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(F)cc2[nH]cnc12)C1CC1 65157575 BQNVSZXNHIHODX-LLVKDONJSA-N 357.816 4.721 0 40 FJAB c1ccc(-c2nnn3c2nc(NCCc2cccs2)c2ccccc23)cc1 67262218 AQYAGMWHTATKPH-UHFFFAOYSA-N 371.469 4.661 0 40 FJAB COc1ccc(-c2csc(CNC(=O)Nc3cc(C)ccc3C)n2)cc1 72264914 LNBDQZXHOUHZSR-UHFFFAOYSA-N 367.474 4.757 0 40 FJAB COc1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348842 GXDYPEKTNDEOIE-HXUWFJFHSA-N 359.473 4.532 0 40 FJAB Fc1ccc(CN2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 72358380 NGJRYTCOOBBJKT-SFHVURJKSA-N 365.427 4.801 0 40 FJAB Clc1cccc(-c2cncc(C3CCN(Cc4ccccn4)CC3)n2)c1 72359433 VXCKPTLBMUQNEU-UHFFFAOYSA-N 364.880 4.572 0 40 FJAB Cn1ccc2c(NC(=O)Cc3csc(-c4ccccc4F)n3)cccc21 72401094 FUGFAOQCRYDVCQ-UHFFFAOYSA-N 365.433 4.622 0 40 FJAB Cc1cc(NC(=O)/C=C/SCc2ccco2)ccc1Br 89587472 YOUQJFHZJTYGPQ-SOFGYWHQSA-N 352.253 4.736 0 40 FJAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NCc1coc(-c2ccccc2)n1)CC3 95466066 SMFROKVGBGFDGB-QGZVFWFLSA-N 357.457 4.778 0 40 FJAB COc1cccc(CN2CCC3(CCN(Cc4ccsc4)CC3)CC2)c1 96047241 KNELKYRINMXGGU-UHFFFAOYSA-N 370.562 4.635 0 40 FJAB FC(F)(F)Oc1ccc2nc(C(F)(F)F)cc(Br)c2c1 96171811 WYOIYJNVYCASQJ-UHFFFAOYSA-N 360.051 4.915 0 40 FJAB CC(C)c1noc(-c2ccccc2NC(=O)COc2ccc(Cl)cc2)n1 96346511 IQDIAULHFXUOOX-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB CCCOc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 218980437 KSPQFZJVPYAAPF-UHFFFAOYSA-N 363.910 4.792 0 40 FJAB CCc1cccc(CC)c1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219855682 XFKVLNMMPIDEOT-UHFFFAOYSA-N 350.506 4.975 0 40 FJAB CC(C)(C)SCCNC(=O)CSCc1ccc(Cl)cc1Cl 222718211 IPEAZBPKXNSHGJ-UHFFFAOYSA-N 366.379 4.875 0 40 FJAB COc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223400715 GZBHJPHKKZNWIJ-KRWDZBQOSA-N 357.519 4.731 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 225388401 IZEYCBOPAPFGHM-GOSISDBHSA-N 365.395 4.742 0 40 FJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225513564 VKJMAIOCVWVJRW-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 225568612 QGUQUAICRHKQCF-GOSISDBHSA-N 367.489 4.859 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(Cc2ccccc2)C1 225903002 YLDSAOSSRHKURE-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c2ncccc12 225908674 AFQCKVQMLDJPOD-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(C)cc2)cc1 408844134 OQBYWFIITYJLRU-RCCKNPSSSA-N 353.425 4.533 0 40 FJAB COC(=O)CCCCC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360719 LBAAIKHKFIRQJQ-UHFFFAOYSA-N 356.262 4.640 0 40 FJAB COc1ccc2cc(C(=O)N[C@H](C)Cc3csc4ccccc34)[nH]c2c1 618256723 LNEYYHIMNQOFCU-CYBMUJFWSA-N 364.470 4.752 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)C2CCCCC2)CN1c1cccc(F)c1 1615156956 LHCZGNGUPCNWSM-QFIPXVFZSA-N 358.501 4.756 0 40 FJAB O=S(=O)(Cc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 854691 QJOXCBZBSBLOPL-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 1216839 KSXGFONQUZTIFG-UHFFFAOYSA-N 357.413 4.556 0 40 FJAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)cc2C)c1 1264353 PYWINPGVYIKUKQ-CYBMUJFWSA-N 356.491 4.649 0 40 FJAB COc1ccc([C@H]2C(=O)c3ccc(OC)cc3O[C@@H]2c2ccccc2)cc1 1611243 RQEMHCIRNVNLNO-JTHBVZDNSA-N 360.409 4.804 0 40 FJAB CCCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O 2069803 MFIMJUHTKHXVHC-UHFFFAOYSA-N 368.216 4.518 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1cc2c(s1)CCCC2 2633170 AFHJZXYKRAIKJW-UHFFFAOYSA-N 354.244 4.781 0 40 FJAB Cc1cc(C)nc(-n2nc(Nc3ccccc3)cc2Nc2ccccc2)n1 3210855 SRUGDLGCDRMHMW-UHFFFAOYSA-N 356.433 4.766 0 40 FJAB Cc1ccc2c(Cl)cc(Cl)c(Oc3nnnn3-c3ccccc3)c2n1 3339857 DDDXDSNZCUYXJT-UHFFFAOYSA-N 372.215 4.618 0 40 FJAB CN(C(=O)/C=C/N(Cc1ccccc1)Cc1ccccc1)c1ccccc1 4350202 APZDUZRPYVDCLS-ISLYRVAYSA-N 356.469 4.866 0 40 FJAB Cc1ccc(C)c(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 5358853 HZXQERQPMAFFGK-UHFFFAOYSA-N 372.635 4.698 0 40 FJAB CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OC[C@@H](C)O 5820424 JZSMZIOJUHECHW-UXCKKACVSA-N 356.547 4.919 0 40 FJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccccc2c1C 7265809 PJSITAXCZGUGDL-UHFFFAOYSA-N 364.445 4.541 0 40 FJAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3)cc2c1C 7735434 PFQCXHRYGASJKZ-CYBMUJFWSA-N 370.836 4.622 0 40 FJAB Cc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)c(Cl)c1 7973126 NVVRDFFISRSCGQ-UHFFFAOYSA-N 357.885 4.689 0 40 FJAB Cc1cccc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c1C 8007260 QJCMIVISLGXUKB-UHFFFAOYSA-N 365.449 4.596 0 40 FJAB Cc1c(Cl)cccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1 9319698 TVNIYSGITDWBID-UHFFFAOYSA-N 365.824 4.881 0 40 FJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)C(C)C)cc3c2C)cc1 9530826 PNLFHZOFZLTYEY-UHFFFAOYSA-N 351.402 4.575 0 40 FJAB O=C(CNc1ccc(F)c(Cl)c1)N[C@@H](c1ccccc1)c1cccs1 11158816 ZGRXNEJENDOBLW-IBGZPJMESA-N 374.868 4.858 0 40 FJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC(C)C)n2)cc1 12441863 ARVWIDWEVYUEFW-UHFFFAOYSA-N 354.479 4.597 0 40 FJAB Cc1cccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[nH]2)c1C 12994377 BXTXGZWPMUHSAI-UHFFFAOYSA-N 372.881 4.620 0 40 FJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 13660951 XBAPGWKBCRGROR-KNQAVFIVSA-N 360.413 4.839 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Br)c1 13709620 SMUHNEWXBODVQD-JTQLQIEISA-N 354.631 4.509 0 40 FJAB Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccccc3)OC2=O)cc1 13924871 JUTRALHCEJRHIB-QNGOZBTKSA-N 369.420 4.919 0 40 FJAB CCCCCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 14257745 SSQRIGZLDIUDQA-UHFFFAOYSA-N 352.809 4.752 0 40 FJAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)CC(C)C 14258108 ZSZMTIWBJXKRAE-UHFFFAOYSA-N 350.466 4.837 0 40 FJAB O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccccc2Cl)cc1 20058270 MCIAOXQHJRBCSD-UHFFFAOYSA-N 356.853 4.655 0 40 FJAB O=C(NCc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 20109088 WHTHQEMTDLSAEH-UHFFFAOYSA-N 356.469 4.569 0 40 FJAB Cc1cc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc(C)c1Cl 20897327 GZWZMZWYKSQYMX-JTQLQIEISA-N 364.898 4.556 0 40 FJAB CC(C)CCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 24262865 QVLXAAIFXPBVGM-UHFFFAOYSA-N 356.413 4.534 0 40 FJAB CCC(=O)Nc1ccc([C@@H](C)NCc2cc(Br)cs2)cc1 30641124 RHKLRSPLSCNVFX-LLVKDONJSA-N 367.312 4.710 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C[C@H](O)c1ccccc1 35287169 BJUMGNUGYMALPB-MBSDFSHPSA-N 374.484 4.665 0 40 FJAB Fc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1 35592651 OZODKSVVKZITLV-UHFFFAOYSA-N 355.369 4.729 0 40 FJAB O=C(Nc1nccs1)c1ccc(OCc2ccc3ccccc3n2)cc1 35598359 CIKUTWOBBSRSKY-UHFFFAOYSA-N 361.426 4.523 0 40 FJAB O=C(Nc1cccs1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 38671366 BNGRMACLVNRCOW-UHFFFAOYSA-N 369.427 4.622 0 40 FJAB Cc1nc(Oc2cccc(C(N)=O)c2)c2c(-c3cccs3)csc2n1 40091211 XYWZSGVFGJIUJR-UHFFFAOYSA-N 367.455 4.619 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1c1ccsc1 40107696 JVEDYHDOAVNARK-HNNXBMFYSA-N 358.488 4.679 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2cccs2)c2ccccc2)c1 58163292 PCBCLJBAHRHPRS-FQEVSTJZSA-N 350.487 4.835 0 40 FJAB C[C@H](c1ccccc1Cl)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1 58754069 GFURMUOTECOVAC-OAHLLOKOSA-N 361.917 4.504 0 40 FJAB O=C(c1ccc(Cl)cc1F)N1CCCC[C@H]1c1nc2ccccc2o1 79111217 VNFRCAJARQRGLW-INIZCTEOSA-N 358.800 4.988 0 40 FJAB COc1cccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)c1 82070390 NVICMEJMTOBGBP-MHWRWJLKSA-N 357.456 4.621 0 40 FJAB COc1ccc(SCC2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 85472340 UEENIEXRPPFCLP-UHFFFAOYSA-N 359.491 4.550 0 40 FJAB O=C(CCc1cccc2ccccc12)NC[C@@H]1CCCN1c1ccccc1 211118609 YZSVXEZTHOHRLO-QFIPXVFZSA-N 358.485 4.558 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 219856789 VEBOUZGPAXMPFK-UHFFFAOYSA-N 362.395 4.869 0 40 FJAB CCSc1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219864031 YOLINRMHFMFPBG-UHFFFAOYSA-N 354.519 4.962 0 40 FJAB Cc1ccccc1OCCNC(=O)CC(c1ccccc1)c1ccccc1 224315401 JXCIGMFJFJRLRP-UHFFFAOYSA-N 359.469 4.712 0 40 FJAB O=C(Cc1cccs1)NCCSCc1c(Cl)cccc1Cl 224497554 DCRCGCIOAVTNQU-UHFFFAOYSA-N 360.331 4.647 0 40 FJAB CCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948397 AYCLQTHFNHEVGF-UHFFFAOYSA-N 371.234 4.521 0 40 FJAB Fc1cccc(F)c1NC(=S)NCCSCc1ccc(Cl)cc1 225303072 ZYHIUIIPWJNWIY-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB COc1cccc(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 225553740 QAMUFXBMYBIIIW-UHFFFAOYSA-N 368.424 4.633 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(OC)c1 225932111 YYNVIYFJFYJUEZ-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB COc1cccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)c1 226331589 JOSSNEINGUIPME-HZPDHXFCSA-N 367.493 4.605 0 40 FJAB Cc1ccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)nc1 257249986 JKNVFMGOXNULHD-FQEVSTJZSA-N 362.429 4.685 0 40 FJAB CCOc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1 409343483 GZGXJBXGYZWTBB-MHWRWJLKSA-N 359.834 4.980 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cc2ccccc2o1 585148333 ZRLVGSPIJCWPSY-CYBMUJFWSA-N 369.467 4.686 0 40 FJAB CCOc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)c2ccccc12 1776003569 XUGZVKQDCIZWOK-UHFFFAOYSA-N 361.367 4.684 0 40 FJAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccccc1C(F)(F)F 2086896493 AXVUKMLYOIUTHK-UHFFFAOYSA-N 365.376 4.999 0 40 FJAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 993083 PLPXTGDPVHBMHT-UHFFFAOYSA-N 365.816 4.854 0 40 FJAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 1040916 AZXZNPXAYHGBBE-UHFFFAOYSA-N 370.257 4.594 0 40 FJAB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 1265722 URYOWRWNCXSWTO-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 2394554 NKVWPSAZLDOXBU-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(C)c3C)n2)cc1 4167328 BRLAFSTWXYSALX-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB COc1ccc(NC(=O)CCSc2nc(C(C)(C)C)cs2)cc1 4668905 AAEZDRKCAQWFDB-UHFFFAOYSA-N 350.509 4.570 0 40 FJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1c(F)cccc1Cl 5316975 RORRVAMJEFQZNH-UHFFFAOYSA-N 357.599 4.544 0 40 FJAB Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 5459152 OFRARVHUBYWPCD-UHFFFAOYSA-N 369.515 4.609 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 5779179 ZEPYEOFVGYAMCW-LLVKDONJSA-N 354.233 4.716 0 40 FJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cccc(Cl)c1Cl 5881642 UCDKRJZJZHSHHV-UHFFFAOYSA-N 361.228 4.708 0 40 FJAB CCc1ccc2c(CSc3nnc(-c4ccoc4C)o3)cc(=O)oc2c1 7194807 HWHLEIURPLNOQL-UHFFFAOYSA-N 368.414 4.599 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(OC)cc1 8085617 WAKDNPYZEMJQAC-MRXNPFEDSA-N 352.862 4.925 0 40 FJAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccc(Cl)c2)o1 8428002 SCMPDHSVZWQDPD-UHFFFAOYSA-N 374.849 4.894 0 40 FJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(F)c(Cl)cc1Cl 9515320 IXFMOEGDLPCIFU-UHFFFAOYSA-N 356.209 4.836 0 40 FJAB CC(C)[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792913 MMGLWGWDNYPYOO-KKSFZXQISA-N 368.477 4.558 0 40 FJAB Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)c2cnn(C(C)C)c2n1 10958249 KNSXLQXHQJBUGZ-UHFFFAOYSA-N 363.248 4.880 0 40 FJAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 11314582 ZCLYRRMSBKLFHT-QRWLVFNGSA-N 350.462 4.804 0 40 FJAB CC(C)c1ccc(Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 11667203 GFLQWEOACOCSFI-UHFFFAOYSA-N 373.456 4.731 0 40 FJAB N/N=c1\cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 11865529 FQAPFOCENFBBKH-YYDJUVGSSA-N 360.457 4.902 0 40 FJAB O=C(Nc1cccc(F)c1)C1=Cc2cc(Br)ccc2OC=C1 12274588 WCGNSVBQRFBORC-UHFFFAOYSA-N 360.182 4.516 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12773100 UVDJEWGYYIYCKC-RYUDHWBXSA-N 353.796 4.571 0 40 FJAB O=C(Nc1ccc(Br)cc1Br)[C@H]1CC=CCC1 12790862 SDCVVMATSUVRSO-VIFPVBQESA-N 359.061 4.506 0 40 FJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Br 12932085 BVJAOFGUMRNLFB-INIZCTEOSA-N 364.670 4.984 0 40 FJAB COc1cccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c1 13000627 GLYAGFVBMCRWMZ-UHFFFAOYSA-N 368.458 4.600 0 40 FJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1 13768509 HMOJGKUPOBIJBW-WXFUMESZSA-N 365.517 4.872 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 14291979 CYFQAZDDYDBKIC-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB Cc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 15083081 LHJKMPLBPYIQLK-IZZDOVSWSA-N 352.850 4.985 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc4ccccc34)n2)cc1 18943593 YSEOLFVQFXOHBB-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB COc1cc2c(cc1OC)[C@H](C1CCCCC1)N[C@H](c1cccnc1)C2 19550755 JGTDGYMUSXCGAR-UGKGYDQZSA-N 352.478 4.607 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCCC[C@H]1CCN1CCCCCC1 21170937 IWEQQRVVKDUTFQ-FQEVSTJZSA-N 362.945 4.530 0 40 FJAB COc1ccc(OC)c(NC(=O)[C@H](C)SCc2ccc(Cl)cc2)c1 23637014 NJAKWAZXYOPZJB-LBPRGKRZSA-N 365.882 4.618 0 40 FJAB CCC(CC)C(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OC 28284507 VIHYKIRJZOIYNH-UHFFFAOYSA-N 361.463 4.585 0 40 FJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)/C=C/c1ccccc1 28303809 ROTVQNUNNSEFMH-VAWYXSNFSA-N 365.864 4.854 0 40 FJAB COc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1 29456628 MWPWKYNIRVLSME-NRFANRHFSA-N 357.413 4.608 0 40 FJAB C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1F 32744603 KIBCIPGCNMJYMI-ZDUSSCGKSA-N 358.413 4.664 0 40 FJAB COc1ccc(-c2cccc(CN3CCCC[C@@H]3CCN(C)C)c2)cc1 57775550 GDSSUABGLKZROX-JOCHJYFZSA-N 352.522 4.668 0 40 FJAB O=[S@@](Cc1coc(-c2ccccc2)n1)Cc1csc(-c2ccco2)n1 71801162 PGVMASGELYBQAT-RUZDIDTESA-N 370.455 4.507 0 40 FJAB CCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215518 DSYQPTACRWJYBV-GOSISDBHSA-N 359.514 4.923 0 40 FJAB Cc1csc(-c2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc2)n1 84271392 PNZSUWZKTHNNON-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB CCN(CC)Cc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695391 LJPUIUHVADHSOT-UHFFFAOYSA-N 351.416 4.675 0 40 FJAB Cc1c([C@@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2)oc2ccccc12 95951277 SVMPWAYEVINELG-OAHLLOKOSA-N 364.449 4.619 0 40 FJAB O=C(O)C/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2s1 96843511 CXEYVDYRTNUZDG-WZUFQYTHSA-N 373.817 4.694 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)C2 102143912 DNGFTCAWJANLDA-PPHDSNJXSA-N 372.456 4.524 0 40 FJAB Cc1nc(C2=C(O)CN(Cc3ccc(Cl)cc3Cl)C2=N)sc1C 102719768 NIZXDZVXMCYBMM-UHFFFAOYSA-N 368.289 4.829 0 40 FJAB O=C(NCc1cccs1)N1CCS[C@H](c2ccccc2Cl)CC1 211147100 QNHPPRDDRYGWGO-INIZCTEOSA-N 366.939 4.791 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219295200 VYVABPQWEXYYFK-APWZRJJASA-N 367.489 4.743 0 40 FJAB CCOc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1 222691959 PRUPTMBUAVFOHD-UHFFFAOYSA-N 363.910 4.927 0 40 FJAB CC(C)c1ccccc1OCC(=O)NCCSc1ccc(Cl)cc1 222804706 UUBAOVFRBXHKRV-UHFFFAOYSA-N 363.910 4.751 0 40 FJAB O=C(NCCSC1CCCC1)c1ccccc1CCc1ccccc1 222856747 CNZBTVLXQRRSBL-UHFFFAOYSA-N 353.531 4.877 0 40 FJAB Cc1cccc(OCCNC(=O)CCc2c(Cl)cccc2Cl)c1C 223971447 FFKBWUAQDXWPMG-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2ccccc2c1 225062133 GYZPTWJISPIJSM-UHFFFAOYSA-N 365.376 4.684 0 40 FJAB COc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225677322 KOHVJDRVWJSIBZ-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccccc2C)c(C)c1 225758418 DLMYBXHAEWAUTK-GOSISDBHSA-N 370.518 4.918 0 40 FJAB COc1ccc(NC(=S)NC2(c3cccs3)CCCC2)c(OC)c1 225849064 AAUSAFJOZMBKKS-UHFFFAOYSA-N 362.520 4.521 0 40 FJAB COc1ccccc1CCNc1ccc(N(C)C(=O)OC(C)(C)C)cc1 2362804758 LJMMDIZODLZSED-UHFFFAOYSA-N 356.466 4.721 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1nc(C2CC2)nc2ccccc12 1332598 FUEMTJDYFNQGRJ-UHFFFAOYSA-N 363.486 4.855 0 40 FJAB CCOC(=O)CSc1nc(-c2ccc(C)cc2)cn1-c1ccccc1 1516479 LFMXHBXDMQFBCJ-UHFFFAOYSA-N 352.459 4.503 0 40 FJAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2cccs2)N1c1ccccc1 1775402 GYXIFYUQWFAAFN-OAQYLSRUSA-N 361.470 4.984 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1C 4070008 SXAKQTSMMOLXEO-UHFFFAOYSA-N 352.415 4.699 0 40 FJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)c1 4313361 GJSCIXYORYSRET-UHFFFAOYSA-N 369.515 4.528 0 40 FJAB COc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 5065368 ZWYNNHXYPDPENA-UHFFFAOYSA-N 358.426 4.706 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1C 5136191 HKSYKWSFQXAPQP-UHFFFAOYSA-N 374.440 4.742 0 40 FJAB COc1ccc(C2=NC(=C(Cl)Cl)[P@](=O)(c3ccccc3)O2)cc1 5249208 WQJSVOGWULNECI-QHCPKHFHSA-N 368.156 4.680 0 40 FJAB COc1ccc2c(CC(=O)Nc3ccc(Cl)cc3Cl)coc2c1 6215915 VAJABRQTXRZAEF-UHFFFAOYSA-N 350.201 4.929 0 40 FJAB CCOc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 6431707 ZCADUTSUJBDJIL-WUKNDPDISA-N 368.436 4.955 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)c1 6649275 XCGKDBBPVXIKTG-KRWDZBQOSA-N 369.515 4.935 0 40 FJAB Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH]c2ccccc12 6662303 UAAZIIHJFCVGKD-UHFFFAOYSA-N 361.470 4.572 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7653423 ASGJVFXTRJJGDT-IBGZPJMESA-N 372.468 4.702 0 40 FJAB O=C1CCCC[C@H]1Sc1nnc(Cc2cccs2)n1-c1ccccc1 8193792 VANBYLDJYYHRTP-QGZVFWFLSA-N 369.515 4.523 0 40 FJAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 9423604 IDWHQYJZGPANFW-JOCHJYFZSA-N 371.440 4.725 0 40 FJAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10691961 KRONRNGAWUGYEB-NRFANRHFSA-N 370.452 4.738 0 40 FJAB biogenic Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 11915865 LHOIIPNJTPZIDY-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB CN(CC(=O)Nc1cccc2ccccc12)Cc1ccccc1N1CCCC1 12524971 GMUAETHGRRZFAZ-UHFFFAOYSA-N 373.500 4.511 0 40 FJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccco1 12923038 XZKSWMGQXKVCFE-UHFFFAOYSA-N 366.364 4.660 0 40 FJAB COc1ccc(F)cc1-c1csc(-c2ccc(NC(=O)C3CC3)cc2)n1 12998419 PQCCAINANOKNJY-UHFFFAOYSA-N 368.433 4.973 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708325 FGDZKHPKIKJNDV-CYBMUJFWSA-N 355.821 4.908 0 40 FJAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)[C@@H]2C)cc1OC 15251098 WYBOVISLCPAJFV-FBJOKTGGSA-N 356.462 4.681 0 40 FJAB biogenic Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(C(F)(F)F)c1 15582002 RKVMGYKHIFONQX-UHFFFAOYSA-N 373.422 4.857 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc[nH]2)o1 18365711 XOPMXYWTKHBLKD-STQMWFEESA-N 370.478 4.698 0 40 FJAB COc1ccccc1CN[C@H](Cc1cccs1)c1nc(C)c(C)s1 19559655 DNNGXCBCELSZIY-QGZVFWFLSA-N 358.532 4.904 0 40 FJAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(Br)c1 20029671 BJZSLGKBXOTRNW-SNVBAGLBSA-N 372.184 4.959 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 20049222 SNGZMXSMZIDRRS-ZWKOTPCHSA-N 355.478 4.655 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc2ccccc12 21933396 VTGUIKAHSZGZCX-UHFFFAOYSA-N 355.441 4.572 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1C(F)(F)F 22237513 ATECCLHPDNLOHH-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB O=C(Nc1cccc2ccccc12)N1CCC([C@@H](O)c2ccccc2)CC1 23055001 KSMGXEOBBAANQG-QFIPXVFZSA-N 360.457 4.817 0 40 FJAB CC(C)C(=O)Nc1cccc(CNCc2ccc(-c3ccccc3F)o2)c1 25061878 RSIVGOKSZZRPAI-UHFFFAOYSA-N 366.436 4.970 0 40 FJAB CCC[C@H](C)NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423689 SRHHELAVIRUHRW-LBPRGKRZSA-N 352.887 4.533 0 40 FJAB CCn1ncc2c(C(=O)Nc3cc(C)ccc3C)cc(-c3ccccc3)nc21 36616026 HBEMIIGYADICGE-UHFFFAOYSA-N 370.456 4.987 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 44845322 JQAYQFQPHICUBS-SFHVURJKSA-N 359.469 4.971 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1csc(-c2ncccn2)n1 48302935 RQGXZWVBHZPCJK-CYBMUJFWSA-N 350.447 4.539 0 40 FJAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1Nc1ccccc1 48354646 MZNQWGOGPPMMBG-UHFFFAOYSA-N 373.412 4.639 0 40 FJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nc(C2CC2)no1 53563538 JUKYUVLGXNSXKZ-MRVPVSSYSA-N 366.368 4.762 0 40 FJAB Cc1nc2ccc(NC(=O)N3CCCCC[C@H]3c3ccncc3)cc2o1 58544364 XZQCYDMQPQDNKW-SFHVURJKSA-N 350.422 4.680 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N(C)c2ccccc2Oc2ccccc2)c1C 64333415 VFHJUZJEDGXWKZ-UHFFFAOYSA-N 362.429 4.903 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213809 ITXVKPFLHQHDFK-IBGZPJMESA-N 351.450 4.520 0 40 FJAB CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215787 CSPFYTPROLJOSS-SFHVURJKSA-N 353.466 4.922 0 40 FJAB Cc1c(C(=O)N2CCOC[C@H]2c2ccccc2)oc2ccc(Cl)cc12 72303767 YZGMPHSZNIVZMT-KRWDZBQOSA-N 355.821 4.608 0 40 FJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)c1 72427509 URDOCEMZZHLVIU-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB Cc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1 100142718 FQQWOLQOVOTOCC-JCMHNJIXSA-N 368.436 4.943 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc3c(nc4sccn43)s1)C2 107487794 GIIZTSGJKWRMMP-IMQJOWEQSA-N 359.520 4.555 0 40 FJAB Cc1nc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)oc1C 107732747 ODPMNMYIOUHUNB-UHFFFAOYSA-N 371.780 4.772 0 40 FJAB CC(C)C[C@H](NC(=O)Cc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 109340260 ICEVNGNJFACUCY-FQEVSTJZSA-N 374.488 4.501 0 40 FJAB biogenic O=C(c1cnc(-c2ccco2)s1)N1CCCCC[C@H]1c1ccncc1 171450303 NWPCSKWQGRKYLT-HNNXBMFYSA-N 353.447 4.556 0 40 FJAB COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 199830621 RUHCZFKRVOOAIQ-ZDUSSCGKSA-N 356.260 4.530 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223049764 XIJPNGSYXFKQHU-MRXNPFEDSA-N 369.461 4.701 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223386199 SUJMGAJTZBKPJM-QGZVFWFLSA-N 369.505 4.946 0 40 FJAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1 224359493 RPHYTEHYOQYMOR-UHFFFAOYSA-N 353.462 4.727 0 40 FJAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3)CCOCC2)cc1 225568656 LPMDLNCFDPELQB-UHFFFAOYSA-N 367.489 4.717 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCC1 226330785 DKQPUJGAKRDGPI-UHFFFAOYSA-N 364.276 4.737 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(N)c1 226348140 WASBFMHMVHBLSR-UHFFFAOYSA-N 356.809 4.833 0 40 FJAB O=C(CCCOc1ccccc1)NCCSCc1cccc(Cl)c1 408706218 XRWQHQKLMXVZAY-UHFFFAOYSA-N 363.910 4.549 0 40 FJAB COc1ccc(CN2CCC[C@@H](c3ncc(C)s3)C2)c2ccccc12 2037845375 BELPWNSCQJFWKF-QGZVFWFLSA-N 352.503 4.993 0 40 FJAB O=C(O)c1ccc(Oc2ccc(Oc3ccc(C(=O)O)cc3)cc2)cc1 188555 QVLMBWTVLGOLHI-UHFFFAOYSA-N 350.326 4.668 0 40 FJAB CCc1ccc(-c2nc(Nc3ccccc3OC)sc2CC(=O)O)cc1 657900 XTVLHQDYQPFMRP-UHFFFAOYSA-N 368.458 4.752 0 40 FJAB O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccccc1Cl 659544 FPJYRQHVQOCQJH-UHFFFAOYSA-N 359.878 4.721 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1-c1ccccc1 1509223 QVSZDLMKVWTMCB-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)c(Cl)c1)CO3 2118131 WYGWENDEGMMCPQ-UHFFFAOYSA-N 359.784 4.559 0 40 FJAB biogenic Cc1cccc(C)c1NC(=O)COC(=O)c1sc2ccccc2c1Cl 3316922 UUPRLPDEHHALAI-UHFFFAOYSA-N 373.861 4.967 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cc(Br)ccc1Cl 3410395 LUABLFLWQRSBPJ-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccccc3F)s2)c1C 4070395 VHKIAWACCSXARG-UHFFFAOYSA-N 355.438 4.830 0 40 FJAB COc1ccc2oc(C(=O)OCCCC(=O)c3ccc(F)cc3)c(C)c2c1 4319195 IQXDKPWSTHCAKT-UHFFFAOYSA-N 370.376 4.709 0 40 FJAB Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4)csc3n2)cc1 5147125 HJWFNDZHIAYQAG-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB C(=C/c1ccccc1)\CSc1ncnc2c1cnn2Cc1ccccc1 5477621 DZWGGXGVKHSELT-KPKJPENVSA-N 358.470 4.680 0 40 FJAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NCCc1ccccc1 5584030 CXHJLQKSEDGSLP-UHFFFAOYSA-N 373.827 4.810 0 40 FJAB COC(=O)c1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 5795235 XFVWIPPIEPYKBT-UHFFFAOYSA-N 372.446 4.706 0 40 FJAB Cc1csc(-c2ccc(OCc3nc(-c4ccsc4)no3)cc2)n1 8354673 MSXLFERMJNWVCB-UHFFFAOYSA-N 355.444 4.809 0 40 FJAB COc1ccc(-c2nnc(COc3cccc(Cl)c3Cl)o2)cc1 8704462 ZEQMUIZQSDEKFT-UHFFFAOYSA-N 351.189 4.631 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901163 BPQKRXKGPMJNLW-CYBMUJFWSA-N 370.905 4.887 0 40 FJAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12746787 NXTSUDMWBJNKDZ-UHFFFAOYSA-N 361.401 4.914 0 40 FJAB Cc1ccc([C@H](NC(=O)CSc2nc(C)cs2)c2cccs2)cc1 12789334 KEIDHEXVNIAICC-KRWDZBQOSA-N 374.556 4.819 0 40 FJAB CN(Cn1nc2ccccn2c1=S)C(c1ccccc1)c1ccccc1 12815129 RUHBIXVIEOENAJ-UHFFFAOYSA-N 360.486 4.544 0 40 FJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1Cl 12897868 HKBOWPRJSPBSSJ-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB Fc1cc(Br)ccc1OCc1cc(-c2cccs2)on1 14318022 LYYJQDPERNTHCH-UHFFFAOYSA-N 354.200 4.884 0 40 FJAB COc1ccccc1CNCc1cccc(NC(=O)c2ccc(C)cc2)c1 17310949 HDDWFTQWFIOWIH-UHFFFAOYSA-N 360.457 4.546 0 40 FJAB CC(C)n1c([C@@H](C)NC(=O)C(C)(C)c2cccc(F)c2)nc2ccccc21 19718505 NLBISBVBTWVZJI-OAHLLOKOSA-N 367.468 4.911 0 40 FJAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)c1 21791993 RLKUXKVDGQKWBI-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB Cc1nc(NC(=O)c2cc3ccccc3cc2O)sc1-c1ccccn1 23499390 MSIUWRHDFSQJAH-UHFFFAOYSA-N 361.426 4.625 0 40 FJAB Cc1ccc(NC(=O)c2ccc(F)cc2Br)c2cccnc12 24987087 JUTWHAQKXWNTRC-UHFFFAOYSA-N 359.198 4.697 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2csc(C(C)(C)C)n2)cc1OC 30926783 DOXLUBPLHITLKJ-INIZCTEOSA-N 360.523 4.795 0 40 FJAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccccc3Cl)c2s1 32616309 QIIXBAWMWJBCCR-UHFFFAOYSA-N 373.890 4.592 0 40 FJAB COc1ccccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 33145341 LPRUTURFZAMPOT-UHFFFAOYSA-N 372.877 4.577 0 40 FJAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCOc1ccccc1 33772267 SKLKVELLSWCJDU-UHFFFAOYSA-N 369.848 4.905 0 40 FJAB Cc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 35289195 WUCHSFKSBYUPMG-SEJPIABJSA-N 363.505 4.702 0 40 FJAB COCc1nn2c(O)c(-c3ccccc3)cnc2c1-c1ccc(Cl)cc1 35324852 XHXPQRSHFWKAQC-UHFFFAOYSA-N 365.820 4.569 0 40 FJAB c1ccc2[nH]c(CSCCCSCc3nc4ccccc4[nH]3)nc2c1 39278771 JJFVLXYKOHONRP-UHFFFAOYSA-N 368.531 4.996 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(C)c1 57412744 BDLJFNUIQBHCPT-UHFFFAOYSA-N 366.440 4.623 0 40 FJAB O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2c(F)cccc2s1 58356246 BHIFYVTYTLCZFA-UHFFFAOYSA-N 351.406 4.538 0 40 FJAB CCn1ccc2cc(NC(=O)c3nc(-c4cccs4)oc3C)ccc21 58407587 RWYJFICOYKDMID-UHFFFAOYSA-N 351.431 4.938 0 40 FJAB COc1cccc(NC(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1 70655597 TXXJZMCILOMVLJ-UHFFFAOYSA-N 370.459 4.867 0 40 FJAB CC(=O)CCCCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 89913592 WPHBKDDRLFMTAM-INIZCTEOSA-N 358.507 4.917 0 40 FJAB Cc1c(-c2nnc3sc(CCc4ccccc4)nn23)oc2ccccc12 96194295 FXNCPTSZWRDAPW-UHFFFAOYSA-N 360.442 4.693 0 40 FJAB O=C1C[C@@H](c2ccccc2OCc2ccccc2F)c2ccc(O)cc2N1 96335746 NTNQBAHFIHAFLF-GOSISDBHSA-N 363.388 4.584 0 40 FJAB CC(C)[C@@H](O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509783 RKUJDWLGUKQWIX-OAHLLOKOSA-N 368.271 4.876 0 40 FJAB O=C(c1cc2ccccc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1 117182607 AOBRMPMBUJRZDE-UHFFFAOYSA-N 354.837 4.505 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccc(C)cc2)cc1 222875138 JZXRVSQBQUZTTI-NRFANRHFSA-N 371.546 4.764 0 40 FJAB CCc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 223148406 VPOADSMIEDKQDL-QNGOZBTKSA-N 374.440 4.560 0 40 FJAB Cc1ccc(CSCC(=O)NCCOc2ccc3ccccc3c2)cc1 223581501 VZWAMHYKNLYYPJ-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CCc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 224040146 DXMVWFWXJGANDS-UHFFFAOYSA-N 353.506 4.674 0 40 FJAB COc1ccccc1O[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225110088 XAZFTVVTSLRXGQ-OAQYLSRUSA-N 364.397 4.562 0 40 FJAB C[C@@H](COc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1 225339601 KUCCHNQWHFUNSV-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(OC)cc1 225490000 MYYWLICZFIGBAT-IBGZPJMESA-N 358.507 4.920 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2 225735594 IBIBIVPNNILZJM-HXUWFJFHSA-N 367.489 4.663 0 40 FJAB c1csc(-c2ccc3c([C@@H]4CCCN4Cc4ccncc4)ncn3c2)c1 306137090 QLHQXDAOQNYOJP-SFHVURJKSA-N 360.486 4.795 0 40 FJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)c(C)c1 408628729 WPIIAMZLRUNYLF-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB CC(C)(C)OCNc1c(CC(=O)OC(C)(C)C)cccc1C(F)(F)F 521824494 QJCVOCDUPLIEND-UHFFFAOYSA-N 361.404 4.774 0 40 FJAB CC(C)(NC(=O)[C@H]1CCc2cc(F)ccc21)c1nc2ccccc2s1 529695776 AVSSOZFREFBNAU-HNNXBMFYSA-N 354.450 4.517 0 40 FJAB O=C(c1cccnc1C1CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 541398822 PZJUQHOIXBYMNW-QFIPXVFZSA-N 354.453 4.747 0 40 FJAB Clc1ccc(-c2nn(-c3ccccc3)cc2COCc2ncc[nH]2)cc1 553846022 ABVQYEWERVLFOV-UHFFFAOYSA-N 364.836 4.633 0 40 FJAB O=C(CCSc1ccccc1)NC[C@H](c1ccsc1)c1ccco1 675007636 CIIAAUCOZAEQDK-QGZVFWFLSA-N 357.500 4.772 0 40 FJAB O=C1CCCN1c1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1 726975550 ARDPAHQGZYCECW-UHFFFAOYSA-N 370.865 4.729 0 40 FJAB CC[C@H](c1ccc(F)cc1)c1nnc(-c2cccc([C@@H]3CCOC3)c2)o1 1615547655 UZIAXPIZEFDYMT-IEBWSBKVSA-N 352.409 4.922 0 40 FJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1 876317 PTXXAXRTWMNCAY-UHFFFAOYSA-N 359.882 4.823 0 40 FJAB Cc1cccc2[nH]c3c(N4CC=C(c5ccc(F)cc5)CC4)ncnc3c12 2405588 IRCFFIDIJYAKGX-UHFFFAOYSA-N 358.420 4.852 0 40 FJAB COc1ccccc1CCC(=O)Nc1ccc2nc(SC)sc2c1 3334230 ISISMKITVDOFQJ-UHFFFAOYSA-N 358.488 4.598 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCCO4)n2c1 3911628 OMFNAAFWVHRVDE-UHFFFAOYSA-N 357.413 4.825 0 40 FJAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 4033277 PVMKKYCBPGJGOP-GOSISDBHSA-N 361.489 4.775 0 40 FJAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1nccs1 4849446 UVWLPOORXZRNBP-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB Clc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 5026543 NTQQFNGTXLTHRY-UHFFFAOYSA-N 368.912 4.788 0 40 FJAB CCN(CC)CCCNCC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1 5347783 WIXKOACSCLQHFO-GOTSBHOMSA-N 374.613 4.995 0 40 FJAB O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC=C(c2ccccc2)CC1 6942292 UQKYVFQOYOOBMR-UHFFFAOYSA-N 363.848 4.660 0 40 FJAB O=C(Cc1cccc2ccccc12)N[C@@H](c1ccccc1)c1ccncc1 6977720 ZGQBDYXPGOEXEP-DEOSSOPVSA-N 352.437 4.683 0 40 FJAB C[C@H](Sc1nncn1-c1ccccc1)c1nc2ccccc2n1C(F)F 8746505 SKIZEWBDCPPLKY-LBPRGKRZSA-N 371.416 4.865 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 9141197 MNVHWSFRGFTGKA-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2Cl)c2cc3ccccc3nc21 9328485 AHOANJLSEUHQRY-UHFFFAOYSA-N 364.836 4.900 0 40 FJAB CSc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(C)cc1 10254540 COHNLAAXGOBPSD-UHFFFAOYSA-N 368.502 4.970 0 40 FJAB CCn1cnc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 12413863 FHURWSRKUIAZDJ-UHFFFAOYSA-N 355.441 4.827 0 40 FJAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(OC)cc3)o2)cc1 15867382 QXNHGOAJNYLLCZ-UHFFFAOYSA-N 351.402 4.535 0 40 FJAB CCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 16162057 HTFBCMMLAILLIU-UHFFFAOYSA-N 367.470 4.629 0 40 FJAB CCOc1ccc2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2c1 16708196 YRYWMRXMILTWLD-UHFFFAOYSA-N 365.414 4.602 0 40 FJAB CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 21619936 HMLVZUNUZJTSLT-HXUWFJFHSA-N 363.505 4.528 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 24456183 ABSUPWIYBWUQEJ-NSHDSACASA-N 365.260 4.785 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 27583891 JEFDCOXIQSFCML-HXUWFJFHSA-N 356.897 4.605 0 40 FJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cccc(F)c1 28042950 FLTTVKAKPJBSNY-SNVBAGLBSA-N 362.253 4.514 0 40 FJAB CCN1C(=O)c2ccccc2N[C@H]1c1cc2cccc(C)c2nc1Cl 30543323 ALKUDFVGBQWXFN-LJQANCHMSA-N 351.837 4.783 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccccc3OC)ccc2c1 32716636 HSGSRYXJYMOWGN-MRXNPFEDSA-N 363.457 4.619 0 40 FJAB COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1ccncc1 32832270 BGNOPHHRIXZMGP-UHFFFAOYSA-N 368.820 4.575 0 40 FJAB Cc1cc2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc2cc1C 35288732 QEAMBQQXGWZTGT-UHFFFAOYSA-N 373.481 4.851 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(OC(C)C)c1 44900980 UPLRQWBDWVHRBE-LJQANCHMSA-N 361.869 4.601 0 40 FJAB CCOc1ccc([C@H]2CCCN2C(=O)c2sc(C(C)C)nc2C)cc1 48276721 RZEHBWXMAJWYNN-QGZVFWFLSA-N 358.507 4.951 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n[nH]2)cc1 57477053 UYYXLJNGGVZMNT-UHFFFAOYSA-N 361.323 4.536 0 40 FJAB CCN(c1ccc(C(=O)N(C[C@@H]2CCOC2)c2ccccc2)cc1)C(C)C 60300485 NYRVOZHEYCKNMK-IBGZPJMESA-N 366.505 4.605 0 40 FJAB C[C@@H]1CN(C(=O)Nc2cccc(C3SCCCS3)c2)CC(C)(C)O1 68482821 HMSTZQHZKMXSKN-CYBMUJFWSA-N 366.552 4.587 0 40 FJAB CCC[C@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccccc1 71195105 WLMXYVZSWFGBHQ-MRXNPFEDSA-N 370.399 4.934 0 40 FJAB Cc1cc(Br)ccc1NC(=S)Nc1cc(F)cc(F)c1 71761082 IQPOXYLIPVNGJK-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB O=C1[C@H]2CC[C@H](c3ccccc3)C[C@@H]2C(=O)N1c1cccc2ccccc12 101464093 FMPOWQSUNMGUMG-JBACZVJFSA-N 355.437 4.913 0 40 FJAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1 206876764 VQOVIPNQQBCVFX-SFHVURJKSA-N 370.880 4.708 0 40 FJAB O=C(NCc1ccc(F)cc1)Nc1ccccc1-c1cn2ccsc2n1 206908547 JFGCXWSCSMWUNJ-UHFFFAOYSA-N 366.421 4.524 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 216431488 FCYONUJSBNBNOE-MRXNPFEDSA-N 356.224 4.606 0 40 FJAB COc1ccc(CN(C)C(=O)CCCSc2ccc(Cl)cc2)cc1 222681198 HSAQMJFJRNKCQA-UHFFFAOYSA-N 363.910 4.880 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(C4CCCC4)c3)N21 222717293 XEEOABPBRYGBPK-FFZOFVMBSA-N 366.534 4.978 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 224144369 RUQSLJWQZPJLDP-UHFFFAOYSA-N 352.261 4.511 0 40 FJAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(Cl)ccc2Cl)cc1 224590967 JSQVXCIEYGNERN-UHFFFAOYSA-N 374.289 4.607 0 40 FJAB O=C(O)[C@H](Cc1ccc(Br)cc1)Oc1cccc2ccccc12 225066677 JVYDDSZCIUUWGT-SFHVURJKSA-N 371.230 4.677 0 40 FJAB Cc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1Cl 225449640 IPWLZUYNJOBRJW-UHFFFAOYSA-N 370.909 4.629 0 40 FJAB CCCOc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 226242727 FSYCWHMXNWYZJP-UHFFFAOYSA-N 364.239 4.504 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 408706606 AKNXQHJGCHNCRK-UHFFFAOYSA-N 368.880 4.529 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccccc1 409198962 GJZPZGJMHBPKNW-VZCXRCSSSA-N 356.878 4.711 0 40 FJAB CCN1C(=O)/C(=C/c2ccc(OCCOC)c3ccccc23)c2ccccc21 409207190 QFZVVZUEETXWPF-LTGZKZEYSA-N 373.452 4.772 0 40 FJAB Cc1c(Br)cccc1C(=O)Nc1n[nH]c2c(Cl)cccc12 1632285007 OGSCMTWUHFRJMX-UHFFFAOYSA-N 364.630 4.540 0 40 FJAB Cc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCC3)cc1 722367 KEJFHMLWHQPJHB-UHFFFAOYSA-N 356.491 4.782 0 40 FJAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 756723 DDJAWPJVSPVPRG-UHFFFAOYSA-N 365.824 4.611 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(OCC)cc1 948633 RFTBWJCHQRCPMU-UHFFFAOYSA-N 366.417 4.562 0 40 FJAB COC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)cc1 952404 METJGINBPGLQPH-UHFFFAOYSA-N 356.381 4.876 0 40 FJAB FC(F)(F)c1nc2ccccc2n1Cc1cc(Cl)cc2c1OCOC2 1424692 JOHSMGNXMIVCLO-UHFFFAOYSA-N 368.742 4.623 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccccc1Cl)C3 2113631 IAULEKDEIABVIT-UHFFFAOYSA-N 355.821 4.728 0 40 FJAB Cc1c(-c2ccc(O)cc2)c(=O)oc2c(Br)cc(Cl)cc12 2581722 BMZMHUHJOZDHJW-UHFFFAOYSA-N 365.610 4.890 0 40 FJAB biogenic,in-vitro COc1ccc(C(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1 2647502 GUYDUDGRHGAHNI-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1OC 2657068 QEHJANGBZKVMKF-SOFGYWHQSA-N 372.471 4.541 0 40 FJAB O=C(NCCc1csc(-c2ccccc2)n1)c1cccc2ccccc12 4166993 HTVJMZIKERNPNT-UHFFFAOYSA-N 358.466 4.936 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccccc3C)nc3c2cnn3C)c(C)c1 4272725 FRJDNOOVOMLLRZ-UHFFFAOYSA-N 358.449 4.776 0 40 FJAB Cc1cc(C)cc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137469 CZZKRROHXNNDMC-UHFFFAOYSA-N 354.450 4.539 0 40 FJAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 6057469 YPUFBTUKIZWIRX-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB COc1cccc([C@H]2CNC3(CCCC3)c3[nH]c4ccccc4c32)c1OC 6941381 WEOGMGPWXZEBBC-QGZVFWFLSA-N 362.473 4.690 0 40 FJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 9137679 XIOQCJOXYDZTLK-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB Cc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1 10156644 QGGLHICEPBILOU-INIZCTEOSA-N 361.420 4.889 0 40 FJAB O=C(c1cc2ccccc2s1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10545929 VJJSNCKMUWSTJO-OAHLLOKOSA-N 361.470 4.797 0 40 FJAB Fc1ccc(-c2cnc(SCc3ccc(-n4cccn4)cc3)o2)cc1 10846167 OJYZDQIDGANUNM-UHFFFAOYSA-N 351.406 4.959 0 40 FJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2o1 12232728 QJJIINAWNVDFPV-UHFFFAOYSA-N 362.410 4.513 0 40 FJAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 12599591 OVOYWHQIIPVUSE-JDFRZJQESA-N 370.848 4.640 0 40 FJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)c2cccnc12 15840851 PJYMDZANJQMOGU-KRWDZBQOSA-N 368.408 4.569 0 40 FJAB O=C(O)c1cccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 20140355 DLUUUHZDROBYHB-UHFFFAOYSA-N 359.740 4.690 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 22190227 FCDCGRSXIMPBSK-UHFFFAOYSA-N 371.396 4.587 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@@H](C)c1ccccc1 22237649 LPXBVDUOEHPORH-AWEZNQCLSA-N 351.475 4.710 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(F)ccc1F 22246178 ZSLWDCOISZBIII-UHFFFAOYSA-N 363.364 4.865 0 40 FJAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)o1 22752521 ONKCJLISIZMGIF-UHFFFAOYSA-N 359.429 4.508 0 40 FJAB Fc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)cc1 25361060 CJPZJOKAJNPLIW-QGZVFWFLSA-N 357.816 4.866 0 40 FJAB Nc1nc(SCc2csc(Nc3ccccc3)n2)nc2sccc12 31788073 HFZYTYWSYMWOMW-UHFFFAOYSA-N 371.516 4.766 0 40 FJAB COC(=O)c1c(NC(=O)Nc2ccc(F)c(Cl)c2)sc(C)c1C 32610918 TVUALOMLUWGLKK-UHFFFAOYSA-N 356.806 4.588 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 33325950 ZFYRKCYNMSHNCR-MRXNPFEDSA-N 356.878 4.856 0 40 FJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc[nH]1 33940967 NLGRGXVZAGEKFX-UHFFFAOYSA-N 372.453 4.509 0 40 FJAB CC(C)c1ccc2nc3sc(C(=O)N4CCCCC4)c(N)c3cc2c1 35288873 LXBDTIOESSXTAN-UHFFFAOYSA-N 353.491 4.781 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 36397671 ZAUKBUQBYUASTA-XAVZPLJISA-N 372.468 4.893 0 40 FJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)CCC1CCCCC1 57993570 MPDUVXPCNQQDEP-UHFFFAOYSA-N 355.482 4.834 0 40 FJAB CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@H]2C(C)C)cs1 58218050 IYSXLGPEBSEGPZ-SFHVURJKSA-N 361.486 4.587 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)o2)s1 60016744 BOAWOYLNNKBKLA-HNNXBMFYSA-N 361.417 4.722 0 40 FJAB CCCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(C)C 69511211 OZICVADQZWZEMQ-UHFFFAOYSA-N 367.536 4.529 0 40 FJAB Clc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333537 USRDZVHCZAEDFJ-UHFFFAOYSA-N 370.909 4.974 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3ccccn3)C2)n1 72356021 JIPHPLDEYRSMGI-JOCHJYFZSA-N 357.501 4.755 0 40 FJAB C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 103150784 HXFYSWZNANTAMI-XMDUPGNXSA-N 357.425 4.552 0 40 FJAB Brc1cc(Br)c2nc(-c3ccccc3)[nH]c2c1 136933003 ZVPBWEVNHDVBNP-UHFFFAOYSA-N 352.029 4.755 0 40 FJAB Cc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c(C)c1 219450283 CKEMFWGBUSYALF-UHFFFAOYSA-N 358.441 4.836 0 40 FJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 224323384 VWPAVYHKIHELRU-WOJBJXKFSA-N 363.486 4.723 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccc2ccccc2c1 224638317 YQQJENMUHVFPJQ-UHFFFAOYSA-N 361.441 4.710 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2C)cc1OCC 225803508 WBESBZFJZFTLBQ-KRWDZBQOSA-N 355.478 4.521 0 40 FJAB CCSc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 225812409 OIODFCIPLWIMRA-UHFFFAOYSA-N 355.381 4.835 0 40 FJAB COc1ccc(OC)c(-c2nc(NC(=O)c3cccc(C)c3)sc2C)c1 408825184 RQFLQBRLBIPCQS-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1ccc(CC2CN(C(=O)Nc3cnn(CC(C)C)c3C(C)C)C2)cc1 666485330 ARSNDYITHCORIA-UHFFFAOYSA-N 368.525 4.677 0 40 FJAB O=C(CCC(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 684940606 TVZDGFGXZNUPTR-UHFFFAOYSA-N 353.306 4.538 0 40 FJAB Brc1cccc(CCCNCc2cnc3ccccc3c2)c1 731218206 ZTECWSAMPKFRSS-UHFFFAOYSA-N 355.279 4.720 0 40 FJAB CC1(c2ccccc2)CCN(C[C@H](O)c2ccc(Br)cc2)CC1 1644960286 LNHFTJKBLUNJKZ-IBGZPJMESA-N 374.322 4.536 0 40 FJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)c(C)c1 851925 FGPFJAFKDCVUPY-WEVVVXLNSA-N 360.251 4.726 0 40 FJAB c1ccc(Cn2ncc3c(Nc4cccc5ccccc45)ncnc32)cc1 1307508 CWRYFQIFAJIDFI-UHFFFAOYSA-N 351.413 4.771 0 40 FJAB Cc1cc(C)c2cc3c(N)c(C(=O)Nc4nc(C)cs4)sc3nc2c1 1343011 CWIXNLAREZXPAV-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB CCN(CC)CCCN(c1ccccc1)[C@@H]1Cc2ccccc2[C@@H]1OC 1846361 QQGGXAOUSKREAE-PKTZIBPZSA-N 352.522 4.537 0 40 FJAB in-man CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2295152 DYJMZOFRFUWCQF-UHFFFAOYSA-N 359.520 4.936 0 40 FJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1 2410948 HMOJGKUPOBIJBW-RBZQAINGSA-N 365.517 4.872 0 40 FJAB FC(F)Oc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 2921909 TUJIHUJMGIGMNX-UHFFFAOYSA-N 359.421 4.529 0 40 FJAB CCN(Cc1ccccc1)C(=O)CSc1ccc(Br)cc1 3223024 SZDNGDSBGZOEHQ-UHFFFAOYSA-N 364.308 4.590 0 40 FJAB Cn1c2cc(N3CCCC3)cc(-c3ccccc3)c2c(=O)n1-c1ccccc1 3843037 YZXDUIPKCORKDQ-UHFFFAOYSA-N 369.468 4.596 0 40 FJAB biogenic C[C@H]1CCc2nn(-c3nc(-c4ccncc4)cs3)c(C(F)(F)F)c2C1 4916215 IBALWCYAFGNELW-JTQLQIEISA-N 364.396 4.534 0 40 FJAB CN(C)CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 5347486 NRLZAVKKYXUDSC-UHFFFAOYSA-N 358.445 4.530 0 40 FJAB COc1ccccc1C1=NN=C(Nc2ccc(Cl)c(Cl)c2)SC1 6111867 WPFGEJDIKPVZBP-UHFFFAOYSA-N 366.273 4.921 0 40 FJAB COc1cccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c1OC(F)F 7782070 JMDIWQZRTOFZAL-MDZDMXLPSA-N 371.339 4.713 0 40 FJAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c(C)c1 7922290 LSFIEFQUMBEJGN-MRXNPFEDSA-N 367.518 4.853 0 40 FJAB COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 8833477 ITQGILRERUMBGG-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 9164789 DNRCPIBDZOEWQP-UHFFFAOYSA-N 364.489 4.881 0 40 FJAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Br)cc1C)C2 11402360 BZTVOHGFJFPGDA-INIZCTEOSA-N 362.292 4.721 0 40 FJAB CCOc1ccccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 12528611 SYCABMDGHFYEQT-VAWYXSNFSA-N 352.821 4.939 0 40 FJAB COc1cc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)cc2c1OCCO2 12882664 YUSQPKLVFIVZOF-CMDGGOBGSA-N 367.445 4.550 0 40 FJAB O=C(Cc1ccsc1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 12932985 FLXGEYAHEBQMOZ-LJQANCHMSA-N 373.424 4.798 0 40 FJAB Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 12979069 ZRBYBXULQLSGRI-LJQANCHMSA-N 357.885 4.607 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 13169931 SRNUQBFWPBGCPX-UHFFFAOYSA-N 361.397 4.525 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccccc2F)cc1OCC 16317290 KENPQKLJDFZWPZ-ZDUSSCGKSA-N 362.470 4.671 0 40 FJAB C[C@]1(C(=O)c2ccccc2)N(c2ccccc2)[C@@]1(C)C(=O)c1ccccc1 16952892 HDRBXGSPQHHEPE-XMGLRAKGSA-N 355.437 4.790 0 40 FJAB CCOC(=O)C1=C(C)Nc2c(-c3ccccc3)c(C)nn2[C@@H]1c1ccccc1 20674217 LMDUIZQNLIXCJA-OAQYLSRUSA-N 373.456 4.711 0 40 FJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)c(F)c1 21414485 XPBGMIHOEBTDKJ-LBPRGKRZSA-N 374.362 4.569 0 40 FJAB Cc1cc(-n2c(C)cc(-c3csc(NCc4ccco4)n3)c2C)no1 25666071 LHVSTYCUYHGQHV-UHFFFAOYSA-N 354.435 4.719 0 40 FJAB COc1ccc([C@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N23)cc1OC 25781553 NKJZBGHLJGKNOS-NSINPGJKSA-N 370.452 4.631 0 40 FJAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)cc1F 26040202 RFYYHBVWVUSPED-UHFFFAOYSA-N 359.447 4.933 0 40 FJAB O=C(COc1ccccc1)N(Cc1cccc2ccccc12)c1ccccn1 27662297 IDUDKXKZIUBDJD-UHFFFAOYSA-N 368.436 4.847 0 40 FJAB COc1ccccc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 27747024 AZZVIICXENBKAB-HXUWFJFHSA-N 370.452 4.738 0 40 FJAB biogenic COc1cccc(NC(=O)Nc2ccc(Br)c3cccnc23)c1 27930324 SXRMXJBTOZAXKQ-UHFFFAOYSA-N 372.222 4.650 0 40 FJAB C[C@H]1c2cccc(C(=O)Nc3ccccc3OCC(F)(F)F)c2O[C@@H]1C 32885720 LSJURQXOXMWPEQ-VXGBXAGGSA-N 365.351 4.764 0 40 FJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 32972053 DIMWQTLJWCLKNE-VCFDLTMXSA-N 365.317 4.908 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1Cl 40478285 RUQVBHPDSORVMF-UHFFFAOYSA-N 362.216 4.644 0 40 FJAB O=C(c1cccc(Oc2ccccc2)c1)c1ccc(C2OCCO2)s1 43210412 JSYUWWQNFMCQGC-UHFFFAOYSA-N 352.411 4.817 0 40 FJAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1cccc(F)c1 67260744 ABYPRTXXFPKDSN-UHFFFAOYSA-N 369.399 4.504 0 40 FJAB Cc1cccc(CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c1 70635537 LGOCEAUIXBCDAV-UHFFFAOYSA-N 351.425 4.564 0 40 FJAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12 100394301 FMPOWQSUNMGUMG-CEWLAPEOSA-N 355.437 4.913 0 40 FJAB CCOc1ccc(CCC2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 107134143 CSPCQVCUVOCYFC-ONTIZHBOSA-N 355.522 4.693 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)oc1C 107911017 CLVSIJOGZPEJJO-UHFFFAOYSA-N 371.780 4.772 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 223000873 XTRQLRHXZFIAMP-KRWDZBQOSA-N 351.490 4.692 0 40 FJAB S=C(Nc1ccc(N2Cc3ccccc3C2)nc1)NC1CCCCCC1 224042409 YIQLGCUSWCVAFB-UHFFFAOYSA-N 366.534 4.611 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc(C)c(Cl)c1 224165660 YAPOMXRXHPOXPS-UHFFFAOYSA-N 369.848 4.619 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 225593465 XJIUUBKKAHBCEA-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c2cccnc12 225709015 YUYQNTSQUMYLEI-OAHLLOKOSA-N 365.502 4.908 0 40 FJAB O=C(NCCCc1cc2ccccc2o1)c1ccccc1Br 390831223 QMOXKZVBKMKJBC-UHFFFAOYSA-N 358.235 4.558 0 40 FJAB CCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c2ccccc21 409117980 RYDCLXNIQZCQQC-RGEXLXHISA-N 373.408 4.942 0 40 FJAB Cc1cc(SCC(=O)c2ccnc(C(F)(F)F)c2)nc2ccccc12 579516452 LYVVBYNWPSUUQY-UHFFFAOYSA-N 362.376 4.932 0 40 FJAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccc(F)cc1 952263 HBSMPRIKKMUCQE-UHFFFAOYSA-N 360.340 4.818 0 40 FJAB biogenic Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)Cc2ccccc2)s1 1345334 OCGBVYCZCUMFEL-UHFFFAOYSA-N 365.502 4.745 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1noc(-c2ccccc2)n1 1392269 SPUQPYPOORNYSQ-UHFFFAOYSA-N 357.369 4.781 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1 2410780 DCJUHAOXNCAPEO-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB COc1cccc(NC(=O)c2ccc(COc3ccccc3OC)cc2)c1 2759758 LPKQTYVSEJMRFM-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc2c1 2782884 ILRIBUIGHPWASE-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB CCOc1ccc2nc(SCC(=O)N3[C@H](C)CCC[C@H]3C)sc2c1 3228043 CXISTHUJQKTBPT-CHWSQXEVSA-N 364.536 4.577 0 40 FJAB COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2C)ccc1OC(F)F 3277436 ACMQTUCPUYTSQQ-VQHVLOKHSA-N 367.779 4.910 0 40 FJAB Cc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)cs2)cc1 3386743 KGZPBVHPAQQZAE-UHFFFAOYSA-N 368.527 4.869 0 40 FJAB CC1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 3583245 OKSCCPHPBOMYPH-UHFFFAOYSA-N 358.869 4.803 0 40 FJAB CCc1ccc(-c2csc(NC(=O)CCOc3ccccc3)n2)cc1 3892390 HKEOSQJUYCZUTH-UHFFFAOYSA-N 352.459 4.780 0 40 FJAB Cc1cc2cc(C)c(NCCNC(=O)c3ccccc3Cl)nc2cc1C 4848603 UHDUKABOHGKULO-UHFFFAOYSA-N 367.880 4.655 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 5535125 BJYVXLMPFKDKQA-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)c1c[nH]c2ccccc12 6543904 SIJDIJNPZCWPDK-CYBMUJFWSA-N 363.442 4.505 0 40 FJAB O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(F)cc1F 6588103 WPYJMCHEMDBZKF-UHFFFAOYSA-N 350.415 4.571 0 40 FJAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1Cc1ccccc1Cl 6608777 RPZJIMAJWJSKIK-UHFFFAOYSA-N 371.893 4.572 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 6949636 SONDUIYCIOPHJQ-UHFFFAOYSA-N 360.885 4.508 0 40 FJAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 7078245 LLFQSTKLFHHAQH-HTMJNSLASA-N 370.836 4.615 0 40 FJAB Cc1cc(=O)oc2cc(OCc3csc(-c4ccsc4)n3)ccc12 7549926 KNJCCPBGEUDDFD-UHFFFAOYSA-N 355.440 4.865 0 40 FJAB Clc1ccc(-c2noc(CN(Cc3ccco3)Cc3ccco3)n2)cc1 7726829 HKSDCBCVNQUEPK-UHFFFAOYSA-N 369.808 4.778 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(Cl)cccc2s1 7989152 JUFQWCRTOUQURD-UHFFFAOYSA-N 374.849 4.774 0 40 FJAB Cc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3)n2)cc1 9196437 FQIZNAPWEYTNDW-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB Fc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccnc3)no2)cc1 12143941 BFRNSHOFAWFGSK-HXUWFJFHSA-N 351.425 4.993 0 40 FJAB CCOc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 12188066 ZUZLRVJVSDNNAS-HXUWFJFHSA-N 360.457 4.653 0 40 FJAB O=C(CCCSc1nnc2sc3ccccc3n12)c1cccs1 12533432 SEQSVNTYFCQNJY-UHFFFAOYSA-N 359.501 4.761 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](c1ccccc1)c1ccccn1 12606496 ATGZBHNTDXXTQQ-FQEVSTJZSA-N 370.374 4.549 0 40 FJAB O=c1[nH]c2cc3c(cc2cc1CNc1ccccc1-c1ccccc1)OCO3 13561330 PXNVVIYMIQSDKS-UHFFFAOYSA-N 370.408 4.536 0 40 FJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(Cl)cc2)cc1 13570223 RSFSQORBAWQGDD-UHFFFAOYSA-N 352.865 4.946 0 40 FJAB Cc1ccc2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2n1 13946249 TYERZGMXEKZKHV-UHFFFAOYSA-N 354.837 4.993 0 40 FJAB O=C(CCC(=O)c1ccc(Br)cc1)NC1CCCCCCC1 15613428 KRDNYMGUPPZNKR-UHFFFAOYSA-N 366.299 4.641 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1csc(-c2ccccc2)n1 15832385 IQSUTOQRCDIGSQ-CYBMUJFWSA-N 372.877 4.547 0 40 FJAB CC(C)c1ncc(CN(CCc2ccccc2)Cc2cccs2)cn1 19453916 TYYAUMDAQMPACM-UHFFFAOYSA-N 351.519 4.906 0 40 FJAB CCN(C(C)=O)c1nc(/C=C/c2ccc3ccc(Cl)cc3n2)cs1 23611672 SJUOHFGTXFWPQL-CMDGGOBGSA-N 357.866 4.888 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2C=O)cc1C 24170498 QOSLKQRXLWRZQC-QGZVFWFLSA-N 361.441 4.525 0 40 FJAB CCCCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C)c1ccccc1 26005175 SUNWOCLMDXZLIX-UHFFFAOYSA-N 364.493 4.847 0 40 FJAB COc1ccccc1/C=C(/C(=O)N(C)Cc1cccs1)c1ccccc1 31528637 STNIVNJBRWMBMV-HMMYKYKNSA-N 363.482 4.956 0 40 FJAB O=C(c1ccccc1)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1 31679667 ZMBCXMWNZCUSKK-UHFFFAOYSA-N 374.371 4.686 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc4cccnc34)no2)cc1 32623224 RNSQBFNVAWRKQU-UHFFFAOYSA-N 359.385 4.541 0 40 FJAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H]1CCSc2ccccc21 40068815 BHKITJDJXMUAHU-RHSMWYFYSA-N 356.491 4.601 0 40 FJAB CC[C@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1OC(F)F 40088368 KTANRIMDOLQXFF-HNNXBMFYSA-N 350.365 4.569 0 40 FJAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cs2)o1 65515148 DTCWNWWZGKJSIZ-SMDDNHRTSA-N 356.447 4.700 0 40 FJAB Nc1c(Br)cc2nc(-c3ccccc3)oc2c1Br 70461286 ILZZNEVUDWJVMJ-UHFFFAOYSA-N 368.028 4.602 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c1 72288764 GVLHGSSVYKWQPS-SJORKVTESA-N 365.477 4.570 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(C(=O)O)c(Cl)c1 95369499 RLHICKJZTOILPQ-UHFFFAOYSA-N 358.608 4.526 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)c1 224223197 PBPBWOYYAXRRBJ-ZWKOTPCHSA-N 351.500 4.629 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224355555 ZYFXSKXVOMVJQQ-PMACEKPBSA-N 363.486 4.975 0 40 FJAB CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1cccc(C)c1 225542177 BEHOPLCNWHYWIY-UHFFFAOYSA-N 361.470 4.801 0 40 FJAB CO[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@H](C)C1 225633908 OYWYNLDOZIXESP-JTSKRJEESA-N 353.462 4.799 0 40 FJAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2F)o1 227147550 LBEDUGPGNVFTQQ-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(C)cc1 408563280 VDGJATSTORZMCT-MRCUWXFGSA-N 354.475 4.832 0 40 FJAB CC(C)N1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409013527 AYGTYEKCKDFNAY-WOJGMQOQSA-N 371.433 4.849 0 40 FJAB COc1ccc(Nc2nc(C(=O)N3Cc4ccccc4[C@@H]3C)cs2)cc1 543112329 PMCOPEVAJYXKMZ-ZDUSSCGKSA-N 365.458 4.612 0 40 FJAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccco1)c1cccs1 585146792 QIJQCPGRPWNXCM-HNNXBMFYSA-N 360.866 4.626 0 40 FJAB CSCC[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)n1cccc1 604419321 SDGDMOYLGZEYEV-AGWGEYTISA-N 360.567 4.503 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2C1 661781 VEVMVTMLUHCHNL-ZDUSSCGKSA-N 365.502 4.954 0 40 FJAB O=C(Oc1cccc2ccccc12)c1cccc(I)c1 682222 CAUPOJQWGSVOMP-UHFFFAOYSA-N 374.177 4.664 0 40 FJAB CC(C)c1nc(SCC(=O)OCc2ccccc2)c2ccccc2n1 1355974 CAVOXTNELIPNIJ-UHFFFAOYSA-N 352.459 4.589 0 40 FJAB COc1cc(C)c(NC(=O)CCSc2ccc(Cl)cc2)cc1OC 2641359 SLLVBFBOTYCJBR-UHFFFAOYSA-N 365.882 4.787 0 40 FJAB O=C(CCC(=O)c1ccc(F)cc1)OCc1ccc(Cl)c(Cl)c1 3281155 TYZPIIWMDZENTL-UHFFFAOYSA-N 355.192 4.839 0 40 FJAB COc1ccc2c(CC(=O)NCc3ccc(Cl)cc3Cl)coc2c1 3603035 OTFDITDDYPRDFV-UHFFFAOYSA-N 364.228 4.607 0 40 FJAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccccc3)sc2c1 4273162 OLTWRHHYIGPOTA-UHFFFAOYSA-N 373.481 4.776 0 40 FJAB CCn1c(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)nc2ccccc21 4484603 IBGPTVWXJSJDFC-ZDUSSCGKSA-N 373.909 4.679 0 40 FJAB O=C(CCCCCCCCC(=O)N1CCCCCC1)N1CCCCCC1 4742805 UYUHEYFTPJRQAI-UHFFFAOYSA-N 364.574 4.912 0 40 FJAB O=C(NCCc1csc(-c2cccs2)n1)c1ccc2ccccc2c1 5452236 SUULCTWTGMAIQM-UHFFFAOYSA-N 364.495 4.997 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 6304295 HVQFOKUHZSAFGV-CJLVFECKSA-N 356.425 4.824 0 40 FJAB Cc1cc2occ(CC(=O)Nc3ccc(Br)cc3)c2cc1C 6338673 QOKDEEFJYQAPFV-UHFFFAOYSA-N 358.235 4.993 0 40 FJAB CCN1C/C(=C\c2cc(C)ccc2C)c2nc3ccccc3c(C(=O)O)c2C1 6429674 RUULSDMCHRMINI-LDADJPATSA-N 372.468 4.926 0 40 FJAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC(C)C)cc1 6838923 HRTZJONZTACRTE-UHFFFAOYSA-N 350.487 4.853 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 6886705 DXZFVONZENZBNT-UHFFFAOYSA-N 359.834 4.659 0 40 FJAB O=C([C@H](Sc1ncnc2sccc12)c1ccccc1)N1CCCCC1 7112900 NEOZMWNPBWBARK-MRXNPFEDSA-N 369.515 4.537 0 40 FJAB CCCCCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 7261015 NFYJWCCHZWYKKV-UHFFFAOYSA-N 362.901 4.993 0 40 FJAB O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104267 ATHWGENQZZBYSN-CYBMUJFWSA-N 356.878 4.970 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1 8200275 UOSUPROGDFNNNW-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB Cc1ccc(C)c(NC(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c1 8370289 PVXGKEOWABUCIG-UHFFFAOYSA-N 366.440 4.948 0 40 FJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 8903591 CQCUSNRYTMVUHY-UHFFFAOYSA-N 374.849 4.767 0 40 FJAB Fc1cc2c(c(CSc3ncccn3)c1)O[C@H](c1ccccc1)OC2 10861432 ODVLCTZMMZAASW-GOSISDBHSA-N 354.406 4.516 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-c2ccccc2F)o1 12557616 PPRIHMURGGDVCV-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB CCCOc1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 12877110 ORPIGEWWFCKGLY-UHFFFAOYSA-N 353.447 4.555 0 40 FJAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@H]1c1ccccc1 12946421 HXILFOUOBLJFSK-AWEZNQCLSA-N 356.274 4.519 0 40 FJAB CCC(C)(C)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 12989399 YZMQGWPUPWOBJU-UHFFFAOYSA-N 356.413 4.676 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1 14609735 CCYXIDFPLZYYBL-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB Cc1cc2occ(CC(=O)Nc3cccc(Br)c3)c2cc1C 15318610 LQQWUHVDVWNFIV-UHFFFAOYSA-N 358.235 4.993 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 23680831 QQBBDQMGGUFAKP-UHFFFAOYSA-N 372.468 4.528 0 40 FJAB Cc1ccccc1Cn1nc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1C 28231018 VUVWDIAYOSEWKL-LEWJYISDSA-N 359.473 4.599 0 40 FJAB O=C(CSc1ccc2ccccc2n1)Nc1nc2ccccc2s1 32527941 OGRBJEHDNKKSDD-UHFFFAOYSA-N 351.456 4.575 0 40 FJAB COc1ccc(-c2csc(Nc3ccccn3)n2)cc1Br 32899519 KKLUAKRTHSABPX-UHFFFAOYSA-N 362.252 4.720 0 40 FJAB COc1ccc(-c2n[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 32919394 ORYCFJMDMRUBLG-UHFFFAOYSA-N 367.352 4.504 0 40 FJAB CCOc1ccccc1C(=O)N1CCc2sccc2[C@H]1c1cccs1 36626641 YWYLKQCMTSNFED-IBGZPJMESA-N 369.511 4.996 0 40 FJAB C/C(=C\C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 55101250 UCNFGLKFNRTUGL-ZQHZRZASSA-N 362.473 4.815 0 40 FJAB CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 65002333 JPPJDERYXWBGKI-CYBMUJFWSA-N 368.502 4.955 0 40 FJAB Cc1ccc(CSc2ncn(Cc3coc(-c4ccccc4)n3)n2)cc1 95971356 WIKUMZVSXGEXHZ-UHFFFAOYSA-N 362.458 4.582 0 40 FJAB CCC(=O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509804 DWNJEOFQQLTTMV-UHFFFAOYSA-N 352.228 4.780 0 40 FJAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCCCC[C@@H]12 104271620 PLKOGXQBDGYGAR-VDUILEQBSA-N 360.108 4.844 0 40 FJAB Cc1ccc(CSCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 196420981 WLOCWFNOCVNJIN-UHFFFAOYSA-N 354.519 4.857 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 219591461 MSEJJKDDRZOKEH-JOCHJYFZSA-N 369.505 4.689 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)ccc1Cl 223657591 VCYHTAWHCWTGFH-GFCCVEGCSA-N 371.786 4.751 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)ccc21 225077261 ZEBXWFWLPDJFMM-CYBMUJFWSA-N 372.515 4.511 0 40 FJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccccc1C 225757439 UUQKLPRXCZBLAS-KRWDZBQOSA-N 356.491 4.528 0 40 FJAB CC(C)C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 225812238 ZDEVOPZVXVAQOL-SFHVURJKSA-N 365.395 4.988 0 40 FJAB O=C(CC1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257323775 WLUHJLPIIIIXJF-LJQANCHMSA-N 356.441 4.648 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3OC(C)C)N21 260788309 YPNKZMGBUICRDJ-XPGWFJOJSA-N 367.518 4.848 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 408627126 KLRUKHKDOYYZDH-UHFFFAOYSA-N 367.474 4.725 0 40 FJAB CCCCc1ccc(NC(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 408713021 GSNJIKFEGDREJV-UHFFFAOYSA-N 362.473 4.925 0 40 FJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)c1 408998039 QASDTNYQZGPLSB-FSSWDIPSSA-N 371.436 4.864 0 40 FJAB Cc1cc(C)c(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c(C)n1 626568240 DKTNJXDRWKBHEY-INIZCTEOSA-N 359.420 4.697 0 40 FJAB O[C@H](CN1CCc2ccccc2[C@H]1c1ccccc1)c1c(F)cccc1F 731033490 WPKUZDOHTCWQNF-FYYLOGMGSA-N 365.423 4.646 0 40 FJAB CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 2049243857 OAWOATRDZLDNDV-YGZDAZCWSA-N 362.554 4.769 0 40 FJAB O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 644954 JGJSSJRNWHIBLM-GOSISDBHSA-N 350.805 4.925 0 40 FJAB Cc1noc(COc2ccccc2OCc2onc(C)c2Cl)c1Cl 675395 UWCZSBKZDIBKCQ-UHFFFAOYSA-N 369.204 4.744 0 40 FJAB CCOC(=O)c1sc2ccccc2c1OC(=O)c1cccc(Cl)c1 709118 BJDLZCGOLUSXCE-UHFFFAOYSA-N 360.818 4.951 0 40 FJAB CC(C)c1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 935688 XVYANZCUPMNVDG-AWEZNQCLSA-N 352.503 4.755 0 40 FJAB COc1cccc(-c2nc(Nc3ccc(F)cc3)c3ccccc3n2)c1O 2257970 BSTFDXJAAZJVEW-UHFFFAOYSA-N 361.376 4.894 0 40 FJAB Cc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1 2339626 DNFRTSGVSCYSCE-IBGZPJMESA-N 367.452 4.926 0 40 FJAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12 2656855 PIVCLXRADZEBSO-UHFFFAOYSA-N 364.788 4.900 0 40 FJAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2887545 WVGMSVPEPIJPSZ-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 3401616 UGEMZLZPQSSQAS-NHYWBVRUSA-N 374.695 4.737 0 40 FJAB O=C(OCc1nc2ccccc2s1)c1ccc(C(=O)c2ccccc2)cc1 3488954 IKSNIUYTJPMGLE-UHFFFAOYSA-N 373.433 4.884 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCC(C)CC2)c1 3895813 XKRWOZTYRYOCBF-PKUWUEBNSA-N 358.526 4.599 0 40 FJAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 3981450 ICZHKKBLJASVMX-GOSISDBHSA-N 355.484 4.606 0 40 FJAB CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc21 4265108 MEMGYCVZKJMTOW-MRXNPFEDSA-N 367.518 4.662 0 40 FJAB Cc1cc(C)c2sc(NC(=O)c3ccccc3Br)nc2c1 4330891 BPUUOXWISWWEFY-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB CC(C)COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 4332875 OPZIPDCSPWEBDZ-UHFFFAOYSA-N 369.461 4.640 0 40 FJAB Cc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 4669062 ZJTSIVCSMLZBEM-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB CC(C)CCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887753 HGHIWXFWEIFLTK-NNWRFLSQSA-N 350.458 4.732 0 40 FJAB Fc1cccc(Cl)c1CSc1nc2cc(Br)cnc2[nH]1 5125929 JLUZAWLTEPSMNQ-UHFFFAOYSA-N 372.650 4.805 0 40 FJAB O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 6049994 QLWANILQPLVIEQ-UHFFFAOYSA-N 365.816 4.589 0 40 FJAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 6355163 CTXHGCOTTXZVEP-UHFFFAOYSA-N 368.458 4.778 0 40 FJAB COc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 7271492 ZSIRCVPWRIFQJA-UHFFFAOYSA-N 353.447 4.589 0 40 FJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1csc(-c2ccccc2)n1 7777805 JLTDDQAFVKNRLK-LBPRGKRZSA-N 368.424 4.542 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3cccc4ncccc34)cc(C3CC3)nc21 8039507 LOQRQEMYKCOAPE-UHFFFAOYSA-N 371.444 4.690 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2)o1 8288704 DKQLYBSZCYPREJ-UHFFFAOYSA-N 357.793 4.773 0 40 FJAB COc1ccccc1/C=C1/SC(Nc2ccc(F)c(Cl)c2)=NC1=O 8495804 CBQVYQTXFPPBMY-OVCLIPMQSA-N 362.813 4.570 0 40 FJAB Cc1ccsc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9514719 FOWWIRZKFBSNGH-IWAYRVGRSA-N 369.486 4.595 0 40 FJAB COc1ccc(-c2[nH]c3ncccc3c2CN(C)Cc2ccccc2)cc1 12144232 NDHGYOZNGOVOST-UHFFFAOYSA-N 357.457 4.871 0 40 FJAB O=C(Cc1cccc2ccccc12)NC(=S)Nc1ccc(Cl)cc1 12289517 QIDCIQOEUZQLJK-UHFFFAOYSA-N 354.862 4.549 0 40 FJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc2[nH]ccc2c1 12296809 FLUJPGRMDKAUCZ-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic Cc1cc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)on1 12422385 WCVOKZALXHIPQW-UHFFFAOYSA-N 360.247 4.727 0 40 FJAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1cc2cc(Cl)ccc2o1 12506777 ONFMZORZGQATED-INIZCTEOSA-N 365.820 4.523 0 40 FJAB CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1 13177620 VLDJVLWAZUHQRL-UHFFFAOYSA-N 362.223 4.523 0 40 FJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2ccccc2c1 15577757 CPNUJWVVRIQPTL-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB COc1ccccc1OCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 15982693 PUQVXYMNWQNIAA-UHFFFAOYSA-N 359.425 4.674 0 40 FJAB Cc1sc2c(C3CCN(C(=O)CC4CCCCC4)CC3)nc(C)n2c1C 19561798 DNJSQYIVVXLGLB-UHFFFAOYSA-N 373.566 4.997 0 40 FJAB CCOC(=O)c1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 20096525 YUJSAUWTVPYEJG-UHFFFAOYSA-N 351.446 4.622 0 40 FJAB CSc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 20626972 ZKLWSQUFHQZVAP-UHFFFAOYSA-N 354.305 4.578 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 24870660 WDNFBOFBKIJAHS-UHFFFAOYSA-N 361.441 4.527 0 40 FJAB COc1ccc(CN(Cc2cc(F)cc3cccnc23)C2CC2)c(OC)c1 26170277 GDWIAZVBNJAURC-UHFFFAOYSA-N 366.436 4.556 0 40 FJAB Cc1nc(C)c(-c2nnc(SCc3ccc(F)c4cccnc34)o2)s1 32818847 PFIXFXIBTKLSED-UHFFFAOYSA-N 372.450 4.790 0 40 FJAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OC 37409559 PAZOTDZKIMIBIE-UHFFFAOYSA-N 350.256 4.695 0 40 FJAB Cc1nc(COc2cccc(C(=O)N3CCC[C@H]4CCCC[C@H]43)c2)cs1 40012761 NNFBEMHJOLMMPJ-OXQOHEQNSA-N 370.518 4.825 0 40 FJAB COCc1cccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 44758883 HLTUPLDFOXSQJE-UHFFFAOYSA-N 374.440 4.646 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(-c2ccccc2)[nH]1 72275071 CCPXCHFTBNHTRR-UHFFFAOYSA-N 356.385 4.516 0 40 FJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2oc(C)nc2C)cc1 72300997 MSNPZFDUPIBUON-UHFFFAOYSA-N 372.808 4.998 0 40 FJAB CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 72350288 RJSSNBORIIWTLC-OAQYLSRUSA-N 374.532 4.577 0 40 FJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2c(F)cccc2Cl)C1 72402816 FZMMZRXUOPKIEW-LLVKDONJSA-N 361.829 4.909 0 40 FJAB O=C(OCc1cc2c(Cl)cccc2[nH]1)c1csc(-c2ccco2)n1 75104110 IQVIZAKRANTVQZ-UHFFFAOYSA-N 358.806 4.895 0 40 FJAB CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(NC(C)=O)cc2)o1 78850015 LEDACHUPNHMQAZ-LJQANCHMSA-N 354.450 4.558 0 40 FJAB O=C(Nc1cccnc1)OCCSc1nc(-c2ccccc2)cs1 95941652 AMXGFNPGBFMCIA-UHFFFAOYSA-N 357.460 4.546 0 40 FJAB Cn1/c(=N/C(=O)CCSc2ccccc2)sc2cc(Cl)ccc21 100307206 FGIIIJFAPGJODV-ZPHPHTNESA-N 362.907 4.503 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)[C@H](OC(=O)COC(=O)c2ccc(Cl)cc2)C1 102155560 DVQXGUVUAJQEDN-FRFSOERESA-N 352.858 4.501 0 40 FJAB CCOC1(OCC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1CCC[C@@H]12 104107496 VUHCAGIYGJNWDI-FQPOAREZSA-N 360.108 4.844 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 219534012 MZABDYMDKMWRJQ-PKOBYXMFSA-N 367.489 4.798 0 40 FJAB O=S(=O)(NCc1cccc2ccccc12)c1cc(Cl)ccc1Cl 222990828 VWEBYUNPDMAHLQ-UHFFFAOYSA-N 366.269 4.625 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 224966064 JRKXKERJGYPEJA-QGZVFWFLSA-N 352.478 4.645 0 40 FJAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 224990573 PETDXVCODAHJJN-FQEVSTJZSA-N 369.505 4.947 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1C 225461111 QAZULTNOFDPYFY-LJQANCHMSA-N 368.502 4.536 0 40 FJAB Oc1c(Br)cc(CNc2ccccc2)cc1Br 225644572 MPVZRDGARNXJLZ-UHFFFAOYSA-N 357.045 4.529 0 40 FJAB CC(C)c1ccc(OCCC(=O)Nc2cccc(-c3cnco3)c2)cc1 520683650 YEMIUKGSDFGWKZ-UHFFFAOYSA-N 350.418 4.873 0 40 FJAB O=C(c1cnc(O)c2ccccc12)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 530334637 KQRZYKJQBFBWKL-QIJUGHKUSA-N 372.468 4.739 0 40 FJAB C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 679216927 GKUZDPBUMJUJBK-NWDGAFQWSA-N 364.371 4.510 0 40 FJAB CN(C)C1(CNc2nc(C(F)(F)F)nc3ccccc23)CCCCCC1 1615573195 ILWRIJTVRVHMSF-UHFFFAOYSA-N 366.431 4.715 0 40 FJAB COC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2[C@H]1c1ccccc1 845422 ZMWKHABCFQCHRI-HSZRJFAPSA-N 370.452 4.651 0 40 FJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2C)c1OC 1080715 NVXRUXDFJFNPIE-JOCHJYFZSA-N 374.440 4.783 0 40 FJAB O=C(NCCOc1ccccc1Cc1ccccc1)c1ccccc1Cl 3092221 XVPXAALRTMFDNS-UHFFFAOYSA-N 365.860 4.740 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1C 3219516 BGDINKWQLIOEFQ-UHFFFAOYSA-N 373.452 4.690 0 40 FJAB COC(=O)c1ccc(COC(=O)c2ccccc2Nc2ccccc2)cc1 3251870 PJIBQWZYFBOMKO-UHFFFAOYSA-N 361.397 4.574 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3ccc(F)cc3)cc12 3285169 VHCWIKAQAWJJRI-UHFFFAOYSA-N 366.417 4.892 0 40 FJAB Cc1ccc(C)c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 3359261 PDCLLHWDZGDCBE-UHFFFAOYSA-N 350.418 4.740 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1CCc1ccccc1 3426955 OZMDGCFFGHIDCW-UHFFFAOYSA-N 368.480 4.926 0 40 FJAB COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccccc1)NCC2 3847354 BXRDOICCYVPWDR-JOCHJYFZSA-N 359.469 4.704 0 40 FJAB biogenic COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 3897247 ZQBUNMLBGIAFSE-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc(C)c1C 4173260 BTEGQTLQJRKBRZ-UHFFFAOYSA-N 363.504 4.734 0 40 FJAB CCCC1(C)COP(=O)(OP2(=O)OCC(C)(CCC)CO2)OC1 4428872 SFGBLTSSEHLCLG-UHFFFAOYSA-N 370.319 4.926 0 40 FJAB CCCC(=O)N(Cc1ccccc1)c1nc2c(OC)ccc(OC)c2s1 5299749 VRBKIGSQEMVINU-UHFFFAOYSA-N 370.474 4.647 0 40 FJAB CCc1cccc(C)c1NC(=O)/C=C/c1cc(Br)ccc1OC 6152459 GSGVPMYWEXOLPF-DHZHZOJOSA-N 374.278 4.980 0 40 FJAB COc1cccc(CC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 6237605 VGUYCAXWDQXVCB-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 6657286 ZJCGKGHJXXXGKB-QGOAFFKASA-N 353.443 4.712 0 40 FJAB CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6788345 QQOLOJIFZMRWFY-UHFFFAOYSA-N 368.440 4.749 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 7725489 HFCHBSKFRXIMCC-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB FC(F)(F)c1cc(-c2ccc(CNC[C@@H]3CCCO3)o2)ccc1Cl 7986238 QKVBNLVRZOTSQC-LBPRGKRZSA-N 359.775 4.887 0 40 FJAB Cc1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 8115205 RSZWUIDADFGUOH-QFIPXVFZSA-N 363.482 4.610 0 40 FJAB O=C(C[C@H](NCc1cccs1)C(=O)O)c1ccc(C2CCCCC2)cc1 8311815 SGMOMGWQNHHHTC-IBGZPJMESA-N 371.502 4.612 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1C 8493463 ZNTVWILAYUHXFW-LJQANCHMSA-N 359.469 4.977 0 40 FJAB Cc1[nH]c(S[C@H](C)C(=O)NC2CCCCCC2)nc1Cc1ccccc1 8723754 RLVBDFFJFMRUJW-MRXNPFEDSA-N 371.550 4.629 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccccc3)cc2c1 8830109 XGQNPUQLGXBIBG-UHFFFAOYSA-N 374.465 4.745 0 40 FJAB O=C(Cn1ccc2ccccc21)Nc1ccc(OCCc2ccccc2)cc1 9435165 XIDKISJEKYWYTG-UHFFFAOYSA-N 370.452 4.902 0 40 FJAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 9512529 GSANNNIMAOGKCP-UHFFFAOYSA-N 362.178 4.985 0 40 FJAB Cc1cc2nc(O)c(SCC(=O)c3ccc(Cl)cc3)nc2cc1C 11692454 JSXKCYYPBYTGQN-UHFFFAOYSA-N 358.850 4.581 0 40 FJAB O=C(N1CCC(c2ccncc2)CC1)C1(c2ccc(Cl)cc2)CCC1 12117361 LLDCNDCFLYEFFZ-UHFFFAOYSA-N 354.881 4.563 0 40 FJAB COc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 12568293 CGODTZXADLBBLC-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 12739273 FKKOUNQEQYUFHZ-FQEVSTJZSA-N 364.489 4.618 0 40 FJAB Cc1ccc(C)c([C@H](C)N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 14233863 KVZOMRKOXNTJCW-KBPBESRZSA-N 355.507 4.630 0 40 FJAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)oc2c1 15860468 JCOISPIYCJYNJQ-SFHVURJKSA-N 366.461 4.518 0 40 FJAB CSc1nc2ccccc2n1CCOc1ccc(Br)cc1 15981169 AUHXUNNQHCEQQH-UHFFFAOYSA-N 363.280 4.600 0 40 FJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C(F)(F)F)NCC2 20494592 ZDZHGASVMDLROP-LJQANCHMSA-N 365.395 4.738 0 40 FJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)[C@H]1CC=CCC1 26402720 OCMNFBILGUWEJN-QFIPXVFZSA-N 374.528 4.922 0 40 FJAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 28245957 PUMDHJVMWFVNRA-UHFFFAOYSA-N 357.816 4.545 0 40 FJAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 41077041 KVCAKXBZZXCWLI-UHFFFAOYSA-N 369.852 4.624 0 40 FJAB COc1ccc2oc(C)c(C(=O)Nc3ccccc3Br)c2c1 41156501 PLZLFGZPQDOHAH-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB CSc1ccccc1C(=O)N(Cc1ccsc1)Cc1ccccn1 44445980 WXTSCJAQDYOJHS-UHFFFAOYSA-N 354.500 4.708 0 40 FJAB Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C[C@H]3C=CCC3)c2)c1 47409128 VXSATDCBOIVHQQ-KRWDZBQOSA-N 363.461 4.612 0 40 FJAB Cc1nc(C)c([C@@H](C)Nc2nc(-c3ccncc3)nc3ccccc23)s1 54837976 GYDBSGQKWSDHJU-CYBMUJFWSA-N 361.474 4.938 0 40 FJAB Cc1cc(C(C)(C)C)ccc1OCCCCn1cnc2ccccc2c1=O 58159015 OTLVZHDEONRSII-UHFFFAOYSA-N 364.489 4.862 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)c[nH]3)cn2)cc1 58160110 DKUPFRMHXYHQNO-UHFFFAOYSA-N 372.222 4.525 0 40 FJAB Cc1noc(Cl)c1CCC(=O)Nc1ccc(N2CCCCCC2)cc1 58424761 BAUORVWODOFJFJ-UHFFFAOYSA-N 361.873 4.588 0 40 FJAB CCCC(=O)Nc1cccc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1C 92127702 RWBAPVOYCAHFIM-AZUAARDMSA-N 365.521 4.981 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 216423541 OAXYMUWSLYKOBI-GOSISDBHSA-N 354.494 4.551 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)c1 216867222 RWKJDVZFFSAVQX-IAGOWNOFSA-N 351.494 4.905 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219327792 ABSPYEBVRACRHO-MOPGFXCFSA-N 371.452 4.710 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c(C)c1 219539454 HASLNIQRDKYSLQ-LJQANCHMSA-N 353.506 4.943 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl 223363669 KZOTUGZZLDKYTI-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB CC(C)c1ccc(OCC(=O)NCC2CCCCC2)c(Br)c1 224250993 YHTHCNZJEDXISA-UHFFFAOYSA-N 368.315 4.648 0 40 FJAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(Cl)cc(Cl)c2)cc1 224588948 ZCBLHDKERDAUON-UHFFFAOYSA-N 374.289 4.607 0 40 FJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 225168056 DDMFDRARKVTRED-LJQANCHMSA-N 369.505 4.698 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225562058 LMTPEUSBKHUPHS-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)NCCSC1CCCCC1 408706226 XWKHBSVBUCNJFN-UHFFFAOYSA-N 355.931 4.681 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCCC1 409003541 SNYOARUPEBVUAH-XLIONFOSSA-N 374.525 4.557 0 40 FJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccccc1C(F)(F)F 585146698 DGKHGCQJQSBQBG-CYBMUJFWSA-N 365.376 4.922 0 40 FJAB Cc1cc(C)c2cc3c(N)c(C(=O)N4CCc5ccccc54)sc3nc2c1 1342995 YTZRODDHVJPPBM-UHFFFAOYSA-N 373.481 4.851 0 40 FJAB c1ccc(OCCSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 2619633 FSUPOUFJXVKAHM-UHFFFAOYSA-N 363.442 4.698 0 40 FJAB CC(=O)c1sc(NC(=O)CCc2ccccc2)nc1-c1ccccc1 3229446 SAMXZMIRDSTZNK-UHFFFAOYSA-N 350.443 4.584 0 40 FJAB O=C(c1ccccc1Br)N(Cc1ccccc1)c1ccccn1 4045836 TVHPGBKYEIINMK-UHFFFAOYSA-N 367.246 4.691 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(-c3c(C)c(C)cc(C)c3C)s2)cc1 4070344 GLRNFIINMSLXLM-UHFFFAOYSA-N 351.475 5.000 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 4084099 QXKRUGDXPWHXHL-FQJIPJFPSA-N 374.521 4.813 0 40 FJAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N=[S@](Cc2ccccc2)c2ccccc2)cc1 4974939 YBJPXMZEOZNRRW-DEOSSOPVSA-N 369.511 4.745 0 40 FJAB S=C1NC(C23CC4CC(CC(C4)C2)C3)=C[C@H](c2ccccc2Cl)N1 5024923 ZJNJZRJGHMGYEN-ANCGMVAHSA-N 358.938 4.959 0 40 FJAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccco3)nc2c1 5142367 SBAKAESGLNQDPB-UHFFFAOYSA-N 363.442 4.748 0 40 FJAB O=C(c1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264924 AUAVGKADUAALAP-UHFFFAOYSA-N 363.417 4.677 0 40 FJAB COc1ccc2ccccc2c1/C=C1\S/C(=N\C(C)C)N(C(C)C)C1=O 6324753 INKVDSNZAVBAMQ-DRPNJFNCSA-N 368.502 4.938 0 40 FJAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 7028213 ASYCXDRICOAEJC-CYBMUJFWSA-N 352.459 4.798 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 7830659 WVEBOMCLBDCIHF-ZDUSSCGKSA-N 372.490 4.855 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 8134610 SEVZOONAAWEDOF-PKOBYXMFSA-N 359.473 4.678 0 40 FJAB Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(C(=O)O)cc2)cc1 8302529 DPGPSLGVIHNDNL-UHFFFAOYSA-N 351.427 4.602 0 40 FJAB Cc1c(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)oc2ccccc12 9530593 NPXCEBCZCHVPRH-UHFFFAOYSA-N 373.412 4.922 0 40 FJAB COc1ccccc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120010 XYNYALQULRGCQX-UHFFFAOYSA-N 358.397 4.680 0 40 FJAB Cc1cc(C)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(Cl)c1 10961309 TZKNXZJRFDUHFB-UHFFFAOYSA-N 356.857 4.843 0 40 FJAB COc1cccc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3s2)c1 11142563 JAWJRMHEMHICOR-SFHVURJKSA-N 366.486 4.601 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)s1 11513357 HSRTXHFACQNIMZ-UHFFFAOYSA-N 368.439 4.539 0 40 FJAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 11914502 BDVHJJLOARSTBZ-UHFFFAOYSA-N 353.447 4.555 0 40 FJAB C=COCCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 12253005 OJSZBIBWJGGCTH-UHFFFAOYSA-N 372.519 4.908 0 40 FJAB CCC[C@@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 12602662 RQACSNCBCZWPGP-MRXNPFEDSA-N 372.266 4.597 0 40 FJAB CC[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 12899236 JDUXYLGKXQSQFA-OAHLLOKOSA-N 366.442 4.671 0 40 FJAB Cc1cccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1C 12986209 HYXGMJZOZRYOLF-OAHLLOKOSA-N 353.491 4.545 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 13649138 DRCJLBRJSNUNHE-HNNXBMFYSA-N 369.461 4.567 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c3ncccc23)cc1 15840625 MKQLGUAUNOLCEK-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB CCC1=C(c2ccccc2)Sc2c(-c3ccc(OC)cc3)nnn2N=C1 16636713 HXTSUZYRNLBVQC-UHFFFAOYSA-N 362.458 4.715 0 40 FJAB CC(C)CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 18703883 ITRKLMUOJJLSCP-UHFFFAOYSA-N 369.446 4.640 0 40 FJAB Cc1cccnc1[C@@H](Cc1ccsc1)NCc1ccccc1-n1cccn1 19237650 CIRVADQAFPPWKM-HXUWFJFHSA-N 374.513 4.711 0 40 FJAB COc1ccc(OC)c(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c1 19240214 ZNWNCICNVRBRSI-QGZVFWFLSA-N 374.531 4.604 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27747197 MWOPFHQUQCAJRD-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCCc2cc(F)c(F)cc21 31927887 BXSBTUKZDORWOC-UHFFFAOYSA-N 372.346 4.660 0 40 FJAB Cc1nnc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc12 32888215 HICCTLWGKSDVBI-UHFFFAOYSA-N 359.458 4.548 0 40 FJAB Cc1ccc(NC(=O)Cc2noc(-c3ccccc3Cl)n2)cc1Cl 35316268 NLPDDPUVOVZVSP-UHFFFAOYSA-N 362.216 4.533 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1cc2occc2n1Cc1ccccc1 36357133 OEJYYEJFOKOQFU-UHFFFAOYSA-N 351.793 4.583 0 40 FJAB CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39761799 BOMQAGMYCLCHJN-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB C[C@H](Cc1ccccc1Cl)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 40112104 YNCPOUBFBKRNRT-CYBMUJFWSA-N 371.893 4.549 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61131744 IBZUYMQRYGXDJD-GOSISDBHSA-N 361.489 4.602 0 40 FJAB O=C(NC[C@H](O)c1cccc2ccccc12)C1(c2cccs2)CCCC1 70636042 SJEQODKOJDIGSS-IBGZPJMESA-N 365.498 4.563 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359649 NZMRWMLVXQQHJY-QGZVFWFLSA-N 369.896 4.693 0 40 FJAB Cc1ccc(-c2noc([C@H]3CCN(Cc4ccc5ncccc5c4)C3)n2)cc1 72369988 LUGNKUKZEGHLOB-FQEVSTJZSA-N 370.456 4.583 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 82157569 LMCNXJMXMMSMRU-XCVCLJGOSA-N 359.813 4.650 0 40 FJAB CCN(C(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 89969507 JULUHDCHCDJRIQ-GOSISDBHSA-N 373.500 4.699 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2ncccc2-c2ccccc2)cc1 95458290 LEOYAULZHYAWQO-UHFFFAOYSA-N 374.440 4.749 0 40 FJAB COc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(C)c2)c1 95946322 XKHIEZLVAHIFFG-HXUWFJFHSA-N 360.413 4.588 0 40 FJAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccc(Cl)s1 96119604 KCRCBIAEFDCTLJ-UHFFFAOYSA-N 359.838 4.505 0 40 FJAB CCN1C/C(=C/c2ccccc2C)c2nc3ccccc3c(C(=O)O)c2C1 97993220 NWPFDKHHEWKSJW-ATVHPVEESA-N 358.441 4.618 0 40 FJAB Cc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 100432500 KLKFYKJUTHCGPR-UHFFFAOYSA-N 372.799 4.794 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 102549954 WBIGAHOPUIDDCE-POHUPDAJSA-N 373.496 4.741 0 40 FJAB Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102622428 BPXBLALYCPDREW-UTKZUKDTSA-N 356.429 4.652 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 219518416 KSPNCBSULWOIMY-FXAWDEMLSA-N 367.489 4.798 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219550064 FJWFABQBACCWSD-FXAWDEMLSA-N 367.489 4.798 0 40 FJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)S1 222629060 ZOFUXRDQWDZBGP-GKCIPKSASA-N 361.470 4.931 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 222862760 GPRGLBORFNLPBD-NRFANRHFSA-N 359.425 4.714 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)CCc1ccccc1 223425183 JLFLBBPDRUOHRA-FDDCHVKYSA-N 365.517 4.860 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccccc2C(C)C)cc1 223828818 OBDQGAKZBCBNNU-NRFANRHFSA-N 369.505 4.725 0 40 FJAB CCCNC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 225773575 FHURTZJSQKXIME-UHFFFAOYSA-N 353.466 4.768 0 40 FJAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1O 1558903546 IQOKKWCSIMRFTQ-ZDUSSCGKSA-N 359.491 4.866 0 40 FJAB C[C@H](O)[C@@](C)(CNCc1cccc(CC2CCC2)c1)Cc1ccccc1 1620927385 YKOJDMDSHDEYPT-YADARESESA-N 351.534 4.749 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1 1664197989 FETSSSOXOOBRFU-FQEVSTJZSA-N 355.503 4.726 0 40 FJAB NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Oc2ccccc2)cc1 651953 WAVCCEQUOIODHZ-GYHWCHFESA-N 356.381 4.556 0 40 FJAB CC1(C)C[C@](CCNC(=O)Cc2ccccc2)(Cc2ccccc2)CCO1 797634 QFDKGALLGNBFEJ-DEOSSOPVSA-N 365.517 4.554 0 40 FJAB O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccc(Cl)cc3)nn21 935553 GQLUCTMJQJFVEQ-CQSZACIVSA-N 359.813 4.615 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)NCc1ccccc1 1339970 GXOKVGCZUBSUIW-UHFFFAOYSA-N 350.487 4.514 0 40 FJAB CCCCCn1c([C@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 2721371 CQBIMXSHUZUSNJ-INIZCTEOSA-N 365.477 4.726 0 40 FJAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)C[C@H](C)CC3 3284217 BPQUGJOEOVBGMM-LLVKDONJSA-N 367.474 4.639 0 40 FJAB O=C(c1ccccc1)c1ccc(OC(=O)c2c(F)cccc2Cl)cc1 3561647 KRBRWQAOZGJGQW-UHFFFAOYSA-N 354.764 4.929 0 40 FJAB CC(C)Sc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 3670745 HURFMANBIFEYJE-UHFFFAOYSA-N 372.471 4.747 0 40 FJAB Cc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1 3893210 LPRDQQLCJMZXRX-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB Cc1ccc(OCCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 5245197 QWDWHIAHVDVRFX-UHFFFAOYSA-N 352.478 4.783 0 40 FJAB O=C(NCc1ccccc1)/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1 5269825 XBWWHRLOSJOBIG-XMHGGMMESA-N 371.415 4.559 0 40 FJAB CCOC(=O)C(=O)CC1=Nc2ccccc2S[C@@H](c2cccc(C)c2)C1 5828417 SCRALNSBOGCTGP-HXUWFJFHSA-N 367.470 4.827 0 40 FJAB Cc1c(Br)ccc(NC(=O)Cn2ccc3ccccc32)c1C 6043904 TWTAHCPZOWTPPL-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB COc1cc(SC)ccc1C(=O)NCc1ccc(Cl)cc1Cl 6284675 BKZFEFPMIZBEKH-UHFFFAOYSA-N 356.274 4.654 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccc(OC)c1 6872839 CRFFVEROTIZWCB-DLBZAZTESA-N 354.494 4.668 0 40 FJAB Cc1ccccc1-c1noc(COC(=O)c2cc3ccccc3s2)n1 7413069 IIFNESOLMSOLDS-UHFFFAOYSA-N 350.399 4.617 0 40 FJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccccc1OC(F)F 7699740 ULWCXTBXNJEFIB-LCYFTJDESA-N 374.412 4.621 0 40 FJAB Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1 7808012 VBDZRSPQVQKPGI-UHFFFAOYSA-N 366.471 4.684 0 40 FJAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cs1 7909210 JFMDJDGAZWNVKW-AWEZNQCLSA-N 352.459 4.522 0 40 FJAB CCOc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c2ccccc12 8575114 QWJKGLVKDYEOOI-UHFFFAOYSA-N 350.443 4.820 0 40 FJAB COCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 8723199 PDGJVAZVAFSAON-UHFFFAOYSA-N 361.850 4.832 0 40 FJAB Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)c1 8770759 PWJXVNVHJSKORA-NRFANRHFSA-N 361.397 4.566 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2OC)cc1 9314427 MEYZITFFZKQYNH-IBGZPJMESA-N 354.450 4.853 0 40 FJAB Cc1nn(C)c2sc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12 11333807 HXYFHARAQIODER-UHFFFAOYSA-N 355.507 4.513 0 40 FJAB COCCNc1oc2c(c1-c1ccccc1Cl)c(=O)oc1ccccc12 11614795 FQLASMLBDDKDQA-UHFFFAOYSA-N 369.804 4.918 0 40 FJAB CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)c1 11917274 OGUASRAWFKJTDS-HXUWFJFHSA-N 374.912 4.552 0 40 FJAB Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 12925021 VXFBANILPYCQQN-UHFFFAOYSA-N 369.511 4.581 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc3cccnc23)cc1OC 14517136 USZYKRDXNSPHDE-UHFFFAOYSA-N 370.836 4.938 0 40 FJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1cccc(C)c1C)=C2 15838699 XGRCEWNRRJUFEX-UHFFFAOYSA-N 355.821 4.894 0 40 FJAB COc1ccc(C(=O)O)cc1NC(=O)c1sc2ccccc2c1Cl 20139486 LZFBNDOIETXGIG-UHFFFAOYSA-N 361.806 4.514 0 40 FJAB COc1ccc(CN[C@H](C)c2cccc3ccccc23)c(OC)c1OC 22787617 BAUJPPFCHJFDJY-OAHLLOKOSA-N 351.446 4.716 0 40 FJAB C[C@@H](c1ccc(F)cc1)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 26890504 WZOIVTZDSVWRNJ-HOTGVXAUSA-N 369.509 4.875 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 27583230 XTQQIGKTYQHKIL-UHFFFAOYSA-N 365.433 4.785 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCCCC2)cc1 27584314 VEVXNJDDKILSHU-JOCHJYFZSA-N 350.506 4.651 0 40 FJAB O=C(Nc1cccc(-c2nnco2)c1)C1c2ccccc2Oc2ccccc21 32777327 KBUFKKAIRVRSGR-UHFFFAOYSA-N 369.380 4.613 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(Oc3cnccn3)c2)o1 33137310 RJTXBGYLDWWPJF-SBPGJCINSA-N 361.401 4.637 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(C)ccc1C 38500997 VCTQBOCGAIGCDE-UHFFFAOYSA-N 367.424 4.669 0 40 FJAB COCc1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)c1 40266579 JWWNVQAPEMUEOM-UHFFFAOYSA-N 360.413 4.681 0 40 FJAB COc1c(Br)cc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C 57339380 BCBCPTCNYIAXIU-LBPRGKRZSA-N 354.288 4.596 0 40 FJAB C[C@H]1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 57427724 LONPHRVCDZFBKG-KRWDZBQOSA-N 363.461 4.690 0 40 FJAB Clc1ccc2c(c1)nc(CSc1ncccn1)n2Cc1ccccc1 65475598 OPSYRQBMZQDWIK-UHFFFAOYSA-N 366.877 4.820 0 40 FJAB CCC[C@@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 68606091 ZIXBWTMRZQDJDC-JOCHJYFZSA-N 353.506 4.699 0 40 FJAB biogenic Fc1cc(F)cc(NC(=S)Nc2ccc(F)cc2Br)c1 71761065 RGBLSPULETZBAO-UHFFFAOYSA-N 361.186 4.675 0 40 FJAB CCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215519 DSYQPTACRWJYBV-SFHVURJKSA-N 359.514 4.923 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 72427506 YEXITUMKIGDJLN-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB CCc1ccc([C@H]2CCCCCN2C(=O)CCn2ccnc2C(C)C)o1 73903034 OVVMERRSMMHQJE-GOSISDBHSA-N 357.498 4.696 0 40 FJAB Cc1cccc(NC(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1C 84218967 FYMWKCXAMATYDS-ROUUACIJSA-N 365.521 4.582 0 40 FJAB O=C(NNc1ccc(F)cc1)c1cc(-c2cccs2)nc2ccccc12 84591029 LTNOSRZZUNNMEQ-UHFFFAOYSA-N 363.417 4.859 0 40 FJAB Cc1ccc2c(CN3CC=C(c4c[nH]c5ccccc45)CC3)cc(=O)oc2c1 89665767 OSMZTHHBVYZMLY-UHFFFAOYSA-N 370.452 4.872 0 40 FJAB O=S(=O)(c1ccc(N[C@H]2CCCCc3ccccc32)cc1)C(F)F 95350752 ZQPOXESLRNXDSS-KRWDZBQOSA-N 351.418 4.563 0 40 FJAB Cn1nc(-c2ccccc2)cc1C(=O)NCc1ccccc1-c1ccsc1 96383349 BMPWPYOFHXTQEG-UHFFFAOYSA-N 373.481 4.746 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)c(C)c1 100477080 UYWAQGHNJDHIGC-BTYIYWSLSA-N 367.518 4.638 0 40 FJAB Oc1c2c(nc3c(-c4ccccc4)c(Cc4ccccc4)nn13)CCCC2 102691360 UPJPZHWNOIAJTH-UHFFFAOYSA-N 355.441 4.572 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 113945581 KBWNKCMESAILCQ-KRWDZBQOSA-N 363.457 4.711 0 40 FJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 224129968 KGEGVPRTHDYFBH-SFHVURJKSA-N 369.505 4.563 0 40 FJAB Cc1cc(C)cc(CSCC(=O)Nc2nnc(SC(C)C)s2)c1 224329387 ZDBFRERDXWBMOA-UHFFFAOYSA-N 367.565 4.527 0 40 FJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COC(C)C 224427400 YHZJCARDVUIVKO-UHFFFAOYSA-N 363.841 4.535 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885607 RSICCXPMALDGGH-INIZCTEOSA-N 353.340 4.690 0 40 FJAB O=C1N[C@@H]2S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3[C@@H](c3ccc(Cl)cc3)[C@@H]2S1 245204344 YTFQJULJUPEYPV-ZTRZPAETSA-N 351.924 4.736 0 40 FJAB Cn1cc(CN2CCCC[C@H]2c2ccc(-c3cccc(Cl)c3)nc2)cn1 257307275 SXZBDQODHWGDST-NRFANRHFSA-N 366.896 4.863 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 260808260 HZZQAQSUADGSQR-PMACEKPBSA-N 374.569 4.657 0 40 FJAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc12 328593222 NDRQMNLAZPCXOM-PBHICJAKSA-N 367.518 4.763 0 40 FJAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408673943 YATQBJXULNLGMU-AWEZNQCLSA-N 371.864 4.596 0 40 FJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccccc3)c12 409195555 JDKRKGPDHBXCCA-UHFFFAOYSA-N 374.362 4.587 0 40 FJAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 950155 UZUNMIJMXCDXSV-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB Cc1cccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 1326435 LYKVTWVZADTPLF-UHFFFAOYSA-N 368.868 4.936 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 1512058 ABQSMBCZYOKJQA-UHFFFAOYSA-N 352.459 4.996 0 40 FJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)cc2)cc1OC 1934667 INKPWPQXOCURDN-NTUHNPAUSA-N 355.434 4.535 0 40 FJAB Cc1ccc(C)c(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1 2117069 WRKOOXWPBLQPFW-UHFFFAOYSA-N 361.441 4.563 0 40 FJAB biogenic CCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 3163387 AYADCUHEUBQWEF-KKSFZXQISA-N 350.462 4.706 0 40 FJAB COc1ccc(OC)c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)c1 4086252 OWMITHXXHWYJDW-UHFFFAOYSA-N 366.413 4.822 0 40 FJAB biogenic Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(C)cc3)cs2)cc1 4676623 KZVIUXLQZKKZAC-UHFFFAOYSA-N 366.442 4.543 0 40 FJAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)C2CC2)c2ccccc2)C[C@@H]1C 4988692 YHQOCNJBYYNROU-HRAATJIYSA-N 362.473 4.706 0 40 FJAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1 5269138 VKAAMXYLZNKQAE-UHFFFAOYSA-N 365.473 4.671 0 40 FJAB CC[C@@]1(C)Cc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)CO1 6197575 DXGHJMJMJRGTHX-SFHVURJKSA-N 364.536 4.867 0 40 FJAB Cn1c(/C=C/c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 6816843 HPRSNRLPKMZYBX-DHZHZOJOSA-N 356.878 4.698 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)s1)N1CCN(c2ccccc2)CC1 6832144 GJEFGCQGKXJXSA-WYMLVPIESA-N 374.509 4.777 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(C(F)(F)F)c1 6977815 HJKRFQOOOFKRNW-SFHVURJKSA-N 356.347 4.620 0 40 FJAB COc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1 7638988 PNVKHLFLIAMMFV-UHFFFAOYSA-N 351.377 4.666 0 40 FJAB Fc1ccc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1 7789386 CJTXCTVQCAPVJX-UHFFFAOYSA-N 357.816 4.694 0 40 FJAB Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1C[C@H]1CCCO1 8943746 DFXZZIBVJYAUON-QGZVFWFLSA-N 354.475 4.780 0 40 FJAB CCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 9141458 DPLNWELYLGKEJS-IZZDOVSWSA-N 360.251 4.672 0 40 FJAB CC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(Cl)cc1 10849330 AQAQQKHAEURORR-QGZVFWFLSA-N 356.857 4.547 0 40 FJAB Cc1ccc2c(CC(=O)NCCc3ccc(Cl)cc3Cl)coc2c1 12599165 HIIXYOQKIKKQEE-UHFFFAOYSA-N 362.256 4.949 0 40 FJAB CCn1ncc2c(C(=O)Nc3cccc(C)c3C)cc(-c3ccccc3)nc21 12618744 IPUFTCHBFXKFBE-UHFFFAOYSA-N 370.456 4.987 0 40 FJAB COc1ccc([C@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc1OC 13712455 INYPAKBCKOTQHE-QHCPKHFHSA-N 371.440 4.717 0 40 FJAB COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 14196758 XRLXBNUEOYYXDU-UHFFFAOYSA-N 374.484 4.645 0 40 FJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)cc2c1C 19576799 AARJKDNCNFSGMA-QGZVFWFLSA-N 372.472 4.681 0 40 FJAB Cc1c2c(nc3nc4ccccc4n13)C[C@H](/C=C/c1ccccc1)CC2=O 20635316 GSNTZTLFMAYCJC-FLVLSHQESA-N 353.425 4.649 0 40 FJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 22513930 WCZNGZMQQAFFHY-QGZVFWFLSA-N 357.519 4.794 0 40 FJAB Cc1cc2cc(NC(=O)c3cc(C)n(Cc4ccccn4)c3C)ccc2[nH]1 25129567 GBFXXBDNVWHLGV-UHFFFAOYSA-N 358.445 4.590 0 40 FJAB O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Cl)cc1 38933561 ZVMOSNRADIHJQX-UHFFFAOYSA-N 367.714 4.661 0 40 FJAB CCN(C(=O)CN(C)[C@H](C)c1nc2ccccc2s1)c1ccccc1C 39536503 KMKGUDVQTTWJQB-MRXNPFEDSA-N 367.518 4.651 0 40 FJAB Clc1ccc(OCCOc2ccc(-c3nnco3)cc2)c(Cl)c1 40159355 VAIIXKZDXHBCLC-UHFFFAOYSA-N 351.189 4.501 0 40 FJAB COc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3N(C)C)cc2c1 46880304 YEQDWFKMRIVBHS-UHFFFAOYSA-N 369.852 4.524 0 40 FJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1F)C3 58979810 RNBQXNZWZUOBAK-UHFFFAOYSA-N 367.420 4.627 0 40 FJAB biogenic COc1ccc(CCN2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)cc1 72353039 UEFFEHILEAAKHS-QFIPXVFZSA-N 374.488 4.608 0 40 FJAB FC(F)c1nc(N(Cc2ccccc2)C[C@@H]2CCCO2)c2ccccc2n1 84535667 AHGAOGLPLDRJMZ-INIZCTEOSA-N 369.415 4.753 0 40 FJAB Cc1ccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c(C)n1 95951195 NQZDLXOFNCYVPK-UHFFFAOYSA-N 362.477 4.742 0 40 FJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C1=O 100079790 OQFDXTVYNVACPP-IPZZXCBHSA-N 367.876 4.831 0 40 FJAB Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 100617126 SFOJMBQOQFMTTM-UHFFFAOYSA-N 373.412 4.530 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(F)cc1 219262527 KHSYFGFIRZRGPE-GOSISDBHSA-N 373.493 4.786 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219596026 WXNBFPZQYGLIKP-PMACEKPBSA-N 367.489 4.879 0 40 FJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247432702 UVSKMCDCQANQJJ-KMNYTQEUSA-N 355.384 4.960 0 40 FJAB CCc1csc(NC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)n1 581214060 BUCMHIKKEFSRQK-CYBMUJFWSA-N 368.462 4.776 0 40 FJAB Cc1ccccc1Cc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632744 FUSZWKCKEMSTGT-UHFFFAOYSA-N 374.391 4.771 0 40 FJAB CCc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)O 685660 DHZPSDNMUJKMQF-UHFFFAOYSA-N 362.248 4.986 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccccc3F)s2)cc1 707453 WSHVRFPTALRPOX-UHFFFAOYSA-N 355.438 4.894 0 40 FJAB Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Cl)ccc3O)cc1CO2 990118 FNDHRJUMCBHOSM-UHFFFAOYSA-N 351.789 4.539 0 40 FJAB Cc1cccc(-c2nc(SCC(=O)NC(C)C)c3cc(C)ccc3n2)c1 1368186 FWXMHRBLWPZRJH-UHFFFAOYSA-N 365.502 4.530 0 40 FJAB CCOc1ccc([C@H](O)CCCC[C@@H](O)c2ccc(OCC)cc2)cc1 2288971 DKILBSXHIRIQMV-FGZHOGPDSA-N 358.478 4.811 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccs1 2543498 MWUWWHWMKAEPLY-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1F 3338255 XLKIKTSEIKVWJH-UHFFFAOYSA-N 371.861 4.586 0 40 FJAB O=C(COc1ccccc1)Nc1nc2c(s1)-c1cccc3cccc-2c13 3356860 BEWHWCVJTLSXHX-UHFFFAOYSA-N 358.422 4.961 0 40 FJAB CCOC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137786 OOFVMTUISWNVKW-UHFFFAOYSA-N 373.434 4.965 0 40 FJAB CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2 4499590 AWPXQEKQEYCZIP-UHFFFAOYSA-N 372.490 4.626 0 40 FJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4720879 OTTUKNSDVUSPGW-WOEIGVFJSA-N 350.449 4.969 0 40 FJAB biogenic,in-vitro O=C(O)/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 5634204 DMRBUJBAGWQIJR-FPYGCLRLSA-N 367.626 4.779 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccc(F)cc2s1 6343075 OZUAYVKQEWXXDB-UHFFFAOYSA-N 364.829 4.885 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(N[C@H]4CCOc5ccccc54)c23)C1 6557851 GFVAJIPLNFHGLL-WFASDCNBSA-N 351.475 4.752 0 40 FJAB Cc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 6811723 FXSSESMVOBZDJD-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(COc2ccccc2)o1 6852814 HPARUWFTRIFRRL-GOSISDBHSA-N 365.454 4.826 0 40 FJAB CCOc1ccc(N(CC(=O)c2ccccc2C)C2=NCCCS2)cc1 6870383 WSVBJHMXJSUIAR-UHFFFAOYSA-N 368.502 4.576 0 40 FJAB Cc1cc(Br)ccc1NC(=O)Cn1c(C)cc2ccccc21 6963842 UJHUEHGLHOLJPW-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB CSc1ncccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 7657184 QUUPIXATLZONFK-LJQANCHMSA-N 363.438 4.585 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 7844548 OYRWBJGDLADCTL-UHFFFAOYSA-N 355.415 4.613 0 40 FJAB COc1cccc(-c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c1 8734149 PHRBYORNYLCGDE-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB Cc1ccc(Nc2nc(NCCCc3ccccc3)nc3nccnc23)cc1 9074204 DKISKDPCKWLSDR-UHFFFAOYSA-N 370.460 4.517 0 40 FJAB COc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCCCCC3)c2c1 9376028 NYPVVNHDLVZBDS-UHFFFAOYSA-N 360.457 4.927 0 40 FJAB CCc1nnc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)s1 11690486 UVXVXKYJCJWVPW-UHFFFAOYSA-N 361.854 4.585 0 40 FJAB O=C(O)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl 11956063 UCLQVZPKJSEHLG-VMPITWQZSA-N 367.626 4.779 0 40 FJAB COc1ccccc1/C=C/CN[C@@H](Cc1ccsc1)c1nccs1 12330132 MPNZBCHGDHFMNZ-YXMMZVCTSA-N 356.516 4.800 0 40 FJAB COc1cc(/C=C/C(=O)NC2CCC(C)CC2)cc(Cl)c1OC(C)C 13055841 BYHDLAJERPXJAI-JXMROGBWSA-N 365.901 4.844 0 40 FJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 13897341 YDZNIVPYEJHBMQ-PDGQHHTCSA-N 371.433 4.851 0 40 FJAB CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 14014282 RJMXEMWWSHKLRM-LJQANCHMSA-N 358.413 4.506 0 40 FJAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 15604630 KXTWPKGWQULWNO-UHFFFAOYSA-N 355.825 4.524 0 40 FJAB COc1ccc([C@@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 18074516 REVXWUIMWFLUGN-OAQYLSRUSA-N 370.452 4.738 0 40 FJAB biogenic CC(C)C[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 20105431 WPWUCQKTLFWUKA-GOSISDBHSA-N 369.889 4.686 0 40 FJAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccccc2C)c2ccccc2)cc1 20487576 XGBPEAHFVKPGQH-JOCHJYFZSA-N 365.498 4.512 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CCC(=O)Nc2ccccc2)cc1 22199932 IUXKVUTWQSDFGY-NRFANRHFSA-N 352.478 4.641 0 40 FJAB FC(F)(F)c1cnc(NCCc2cccc3cccnc23)c(Cl)c1 25323035 IQIYLVLLJOGUSM-UHFFFAOYSA-N 351.759 4.957 0 40 FJAB Fc1ccc(-c2ccc(CNCc3ccc(Cn4cccn4)cc3)o2)cc1 32845184 HDXUTTHPGXTSGZ-UHFFFAOYSA-N 361.420 4.620 0 40 FJAB O=C(Cc1csc(COc2ccccc2)n1)Nc1cccc(Cl)c1 33326254 NMQQDNBQIDASDX-UHFFFAOYSA-N 358.850 4.557 0 40 FJAB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(Br)c3)S2)cc1 35647498 KUHURTJFHCQOFN-XNTDXEJSSA-N 373.275 4.840 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2Cl)cc1 36358007 RZBGZTNEFJNWKU-HNNXBMFYSA-N 353.809 4.658 0 40 FJAB Cc1csc(SCc2ccc(C(=O)Nc3ccccc3O)cc2)n1 36626759 VHHWXJKFJGUFPO-UHFFFAOYSA-N 356.472 4.702 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38833526 GTQNAWOBWQJBDB-GOSISDBHSA-N 356.897 4.808 0 40 FJAB CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)CCc1ccc(O)cc1 45607130 UPOOHVIXSFYPBD-CYBMUJFWSA-N 366.914 4.660 0 40 FJAB O=C(Nc1ccccc1O)c1cccc(OCc2cccc(Cl)c2)c1 58406983 AGMGZUQFWHSCCT-UHFFFAOYSA-N 353.805 4.877 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(C(=O)O)c2)o1 71279612 ZWJBVUIZAGEFGH-CQSZACIVSA-N 365.389 4.546 0 40 FJAB C[C@@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1 71818626 ZHHZCDHRABHVDE-LLVKDONJSA-N 352.550 4.552 0 40 FJAB C[C@@H]1CCCCCN1C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 72285061 MPXKGTPIFDOTRV-MRXNPFEDSA-N 351.450 4.735 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359650 NZMRWMLVXQQHJY-KRWDZBQOSA-N 369.896 4.693 0 40 FJAB C[C@@H](CC(=O)Nc1ccccc1)N[C@@H](C)c1cccc(Br)c1 78282212 LYLIMNXRRNEDBX-KBPBESRZSA-N 361.283 4.517 0 40 FJAB CC(C)(C)OC(=O)N1CCC(CNc2ccc(Br)cc2)CC1 89212578 MBJVWGHIOQLTMM-UHFFFAOYSA-N 369.303 4.508 0 40 FJAB COc1ccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3ncnc3N2)cc1 101109745 APSXOAQZPDMHHQ-MRXNPFEDSA-N 373.243 4.650 0 40 FJAB O=C(c1cc2cccnc2s1)N1CCC(Oc2ccc(Cl)cc2)CC1 117177372 GMYBLYWTLMAESF-UHFFFAOYSA-N 372.877 4.633 0 40 FJAB O=C(Nc1ccccc1OC(F)(F)F)c1ncc(-c2ccc(F)cc2)o1 206587163 GWGDHDBDISERMW-UHFFFAOYSA-N 366.270 4.632 0 40 FJAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1C(F)(F)F 218808082 UDWSJNQIWOPBNR-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C 223507635 VTXCRPXDKWDVKY-OAHLLOKOSA-N 365.395 4.887 0 40 FJAB Cc1ccnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c1 223976659 OIQSMPBORXYQCC-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(C)c3C)o2)c1 224844265 QKBWRGFTZINJDY-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 225263980 HOXFPOULVKYTQV-OAHLLOKOSA-N 358.507 4.573 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)COc1ccc(Cl)cc1Cl 227145414 FZRLLXFXACZCCR-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB O=C(c1ccccc1F)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257231381 GGLRZABZRIMSRO-LJQANCHMSA-N 368.383 4.521 0 40 FJAB CC(C)[C@H]1O[C@H]2c3cccc(C(C)(C)C)c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257278035 OAMKSSKSSPIBPK-HPBDAGMYSA-N 360.494 4.958 0 40 FJAB CCCNC(=O)C1(Cc2ccc(-c3cc(C)cc(C)c3)cc2)CCOCC1 257299084 RORMMWPOLOQHAL-UHFFFAOYSA-N 365.517 4.836 0 40 FJAB CCCN(C(=O)c1ccccc1C)c1nnc(-c2cccc(C)c2)s1 1345424 MKTOREUKQYNBDS-UHFFFAOYSA-N 351.475 4.879 0 40 FJAB Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1 1465223 PJHADIJALVYRCF-UHFFFAOYSA-N 366.486 4.987 0 40 FJAB CC(C)c1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 2198538 CMNGXJZKHHFRQS-GZTJUZNOSA-N 370.246 4.917 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 2621573 JYGZGSCKXHJBHH-LLVKDONJSA-N 354.233 4.716 0 40 FJAB OC(COc1ccc(Cl)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 3127679 KRQXANIIRTYWPU-UHFFFAOYSA-N 360.787 4.933 0 40 FJAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 3237163 YPAVZRVDPOHDQO-UHFFFAOYSA-N 353.462 4.705 0 40 FJAB O=C(NCCSc1ccc(Br)cc1)c1ccc(Cl)cc1 3268437 KTGUEDFUXRBRLT-UHFFFAOYSA-N 370.699 4.625 0 40 FJAB Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3324965 RSMCVMTUHBBXMF-ZDUSSCGKSA-N 365.351 4.506 0 40 FJAB CCSc1nnc(SCC(=O)Nc2cccc3ccccc23)s1 3543763 XLFOPGKBOIPCAO-UHFFFAOYSA-N 361.517 4.534 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 4487810 NLYQICODDLSNET-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB O=C(Cn1c2ccccc2c2ccccc21)N1CCC(c2ccncc2)CC1 4933354 YVFYRSNYEQFNCC-UHFFFAOYSA-N 369.468 4.596 0 40 FJAB Clc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 5189918 VPTKCBYAAKRISR-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB O=C(Nc1ccccc1F)c1ccccc1-c1nc(-c2ccccc2)no1 5577215 SHZJSCOQARAJJQ-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2ccc(Br)cc12 6839500 WJTPIZSPOZFBKX-LBPRGKRZSA-N 358.235 4.995 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)NCCc2c[nH]c3ccccc23)s1 8316312 DWLIZLTULPIDMD-UHFFFAOYSA-N 361.470 4.572 0 40 FJAB biogenic Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccc(F)cc1 8332455 JRAUFKRYZVXSGI-UZYVYHOESA-N 360.841 4.596 0 40 FJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccco2)cc1 9462393 JURUWPZGAYNVJK-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB Oc1cc(CSc2nc3ccccc3o2)nn1-c1ccc(Cl)cc1 9937303 SZZUQWOSYMJXAR-UHFFFAOYSA-N 357.822 4.665 0 40 FJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccccc1)C2 9938784 NGRUZTPIZJZPFB-OAHLLOKOSA-N 359.454 4.703 0 40 FJAB Cc1ccc2nc(CN[C@@H](c3ccc(F)cc3)c3cccs3)cn2c1 12750001 JTKZNZWOOMFVPT-FQEVSTJZSA-N 351.450 4.723 0 40 FJAB CC(=O)N[C@@H](CSC/C=C(/C)CC/C=C(/C)CCC=C(C)C)C(=O)O 13536948 XTURYZYJYQRJDO-DANCQETMSA-N 367.555 4.728 0 40 FJAB CSc1nc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2s1 14215479 GUXZRSKARSPATF-UHFFFAOYSA-N 357.416 4.519 0 40 FJAB CCCCOc1ccc(NC(=O)c2ccc(OC)cc2)c2cccnc12 15841058 RQCHGKDNNJQZIR-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB COc1cccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 17121607 SRHWFYDCHFLDER-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(C)cc1 20038950 FJAXZPKGERWOGX-IBGZPJMESA-N 357.519 4.510 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC(C)C)cc1 20488847 UTTREVDPXRAVFC-IBGZPJMESA-N 361.869 4.601 0 40 FJAB CCCOc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1OCCC 21556162 RMDXLJMWQWXJGV-UHFFFAOYSA-N 360.454 4.936 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1)c1ccccn1 27749966 QHZWPGKRXCYNNE-UHFFFAOYSA-N 355.397 4.584 0 40 FJAB COc1ccc2nc(C)c(C(=O)Nc3nc4ccc(C)cc4s3)cc2c1 29769713 UPCGNXBONMKETA-UHFFFAOYSA-N 363.442 4.722 0 40 FJAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccccc1-c1ccccc1 32691358 FXUQXTLRJJMAAY-QFIPXVFZSA-N 373.452 4.741 0 40 FJAB COc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1 38139055 DHSNRPNKFROLHC-UHFFFAOYSA-N 365.433 4.864 0 40 FJAB C[C@@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1Br 48324425 XSOUYCSZBMNLDF-SECBINFHSA-N 355.182 4.610 0 40 FJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nn1cnc2ccccc21 59368485 GHPUKNMWBSSRKP-UHFFFAOYSA-N 363.442 4.547 0 40 FJAB Cc1nc2sccn2c1CN(C)C(=O)c1oc2ccc(Cl)cc2c1C 78752344 QEFXTLXEWPWLBK-UHFFFAOYSA-N 373.865 4.684 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1CC 102202871 MUNLAYRXOMVYKE-IERDGZPVSA-N 368.502 4.582 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219549657 SNVNMIITERNJCB-XLIONFOSSA-N 367.489 4.798 0 40 FJAB CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222581267 UEOGBWMNZFOLTR-RZAIGCCYSA-N 373.909 4.723 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C)cc1C 222965954 DNWAZNCEIKQRJI-FQEVSTJZSA-N 369.505 4.609 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)[nH]1 224285153 ZFWOJAHZYXAFCD-WOJBJXKFSA-N 362.502 4.512 0 40 FJAB Cc1ccc(NC(=S)NCCSCc2ccccc2)cc1Cl 225289428 JESGFIPRKSOAKW-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225537466 VEOPGABFXGKWBP-INIZCTEOSA-N 370.518 4.836 0 40 FJAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225674945 ZXPFNDYEDRYUTP-KRWDZBQOSA-N 355.478 4.553 0 40 FJAB COc1cccc(OC)c1CCC(=O)Nc1cccc(Cl)c1Cl 225995196 MBVJSKJNWKDKSW-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CCC(C)C)CC2)n1 257337040 YRCPTSBKXPZGBJ-UHFFFAOYSA-N 369.509 4.750 0 40 FJAB COc1ccc(CCCC(=O)Nc2cccc(Br)c2)cc1C 408915904 RQFMQMSVEROESL-UHFFFAOYSA-N 362.267 4.728 0 40 FJAB O=C(NCc1ccc2ccccc2c1)Nc1ccc(Oc2cccnc2)nc1 559965322 BTSROLFTJKQMKD-UHFFFAOYSA-N 370.412 4.744 0 40 FJAB CCSc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 575473256 PPIOBUTXXPSFNL-CYBMUJFWSA-N 367.522 4.909 0 40 FJAB Cc1cc(NC(=O)N2CCC3(CC2)CC3(F)F)cc(C)c1Br 650158929 GRDUYCSBKMMWNM-UHFFFAOYSA-N 373.241 4.719 0 40 FJAB O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1-n1cccc1 1524889999 KZWRCLAGGIIDRP-CABCVRRESA-N 350.384 4.576 0 40 FJAB COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1 834125 FLTIDOMKSBULND-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB COc1ccc(-c2nnc(N(C(=O)C3CCCCC3)C(C)C)s2)cc1 1345524 NIEXBMANKXISQF-UHFFFAOYSA-N 359.495 4.535 0 40 FJAB Sc1nnc(CSc2nc3ccccc3s2)n1C1CCCCC1 1454628 LLPRUPUFKSSBQN-UHFFFAOYSA-N 362.549 4.974 0 40 FJAB aggregator COc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1 2437839 JJAKFXXQFONXPO-UHFFFAOYSA-N 370.456 4.946 0 40 FJAB aggregator Cc1cc(C)cc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1 2723697 FGQWODTVNHFJCI-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB Cc1cc(OCc2nc3c4c(C)c(C)sc4ncn3n2)cc(C)c1Cl 2790226 AJUVPYVKJHWURG-UHFFFAOYSA-N 372.881 4.805 0 40 FJAB CCOC(=O)C1=N[C@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 4822473 QLSOUOMVJCUENY-PKTZIBPZSA-N 370.452 4.951 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 5537379 KJLZJQCJBUQZSC-CQSZACIVSA-N 374.396 4.560 0 40 FJAB Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC[C@@H](C)C3 5579422 LZJFNLLMKCAHNU-CYBMUJFWSA-N 355.459 4.667 0 40 FJAB CC(C)c1ccc(NC(=S)Nc2ccc(Br)cn2)cc1 5688891 SQRVUHRQAJNOHN-UHFFFAOYSA-N 350.285 4.776 0 40 FJAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccnc1 5769366 JUFQVVGJMPEPKM-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)/C=C/c1cc(Br)ccc1F 6053926 GQYYVNQFBRRAEY-UTSBKAFOSA-N 362.242 4.787 0 40 FJAB CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1 6747432 HYWXQQCYEYZXDI-UHFFFAOYSA-N 367.420 4.589 0 40 FJAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 6859430 YDVGBLILESFJHW-PXAZEXFGSA-N 363.288 4.988 0 40 FJAB Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1 6947673 PFVYJXBPEPSHDL-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ccc(F)cc1 7150767 JPXMOLGOSRESEJ-GFCCVEGCSA-N 360.479 4.747 0 40 FJAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1OCc1ccccc1 7215047 PYRHDXVIIQWEFR-FQEVSTJZSA-N 359.425 4.519 0 40 FJAB C[C@@H](NC(=O)CN(C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 7583322 IEZHWEMEHSASTR-OXQOHEQNSA-N 362.473 4.619 0 40 FJAB COCCc1ccc(Oc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 7983794 CHZULDGZNYWOLH-CYBMUJFWSA-N 354.475 4.797 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2c1oc1ccccc12 8881643 MKXFAWTYOIJPEY-CYBMUJFWSA-N 363.442 4.804 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2ccccc12 10699598 DLPVOCYBTBOMQF-UHFFFAOYSA-N 353.443 4.568 0 40 FJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(C)c2)c1 12737640 YBVZNJGFJOCSDE-UHFFFAOYSA-N 366.490 4.562 0 40 FJAB CCOc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12929155 BIGNXFRSBOJZTH-INIZCTEOSA-N 366.486 4.715 0 40 FJAB O=C(COc1ccc(C2SCCS2)cc1)NCCC1=CCCCC1 12936152 QUYCRXLLPDSPEB-UHFFFAOYSA-N 363.548 4.551 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12992835 GEZBBWCZNDUHQD-KBVBDRTLSA-N 361.850 4.557 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 13042156 GCGGBIZRGGTGDC-UHFFFAOYSA-N 372.896 4.705 0 40 FJAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609736 GIYRQLQYMTUWCX-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(CC2CCCCC2)CC1 19081999 IVVCCNCNMZKVIM-NRFANRHFSA-N 371.569 4.577 0 40 FJAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nc(Nc3ccc(C)cc3)nc2C1 20102230 ISCMABHNOZSEQU-INIZCTEOSA-N 373.456 4.758 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141804 KATKDKOPGSEBCJ-UHFFFAOYSA-N 365.429 4.870 0 40 FJAB Cc1ccc(-c2nnc(CCC(=O)Oc3ccc4ccccc4c3)o2)cc1 21586965 RCOHWPZQSFAPRW-UHFFFAOYSA-N 358.397 4.736 0 40 FJAB COc1ccc(C2(CNC(=O)c3ccc(F)cc3Cl)CCCC2)cc1 21691257 ZWYNUOMVTKJYPF-UHFFFAOYSA-N 361.844 4.730 0 40 FJAB COc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 22783224 BMXFQJBJIGJRRP-LLVKDONJSA-N 370.276 4.870 0 40 FJAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3cccc(Cl)c3)c2s1 32616305 LSGHJISUQNJGPR-UHFFFAOYSA-N 373.890 4.592 0 40 FJAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(Cl)n1 32932304 YJWAGWUUPNXJMR-LJQANCHMSA-N 350.849 4.757 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1snnc1-c1ccccc1 36360274 LYFJJMRXNVGHQU-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB COc1ccc(CCC(=O)NCC(c2ccccc2)c2ccccc2)cc1 36764550 CXQMVOSYRVRPEP-UHFFFAOYSA-N 359.469 4.576 0 40 FJAB C[C@H](NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCCO1 37176251 LRCXBITWOCWNRL-IINYFYTJSA-N 354.233 4.551 0 40 FJAB COC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)c2cccc(F)c2n1 38486944 WMXZGVOLMOTYHH-UHFFFAOYSA-N 360.772 4.566 0 40 FJAB C[C@@H](CNC(=O)Nc1ccccc1SC(F)F)N(C)c1ccccc1 40105515 ARYJCEWXBPOLFD-ZDUSSCGKSA-N 365.449 4.648 0 40 FJAB CCOc1ccc2cccc(NC(=O)c3cc(-c4ccccc4)on3)c2n1 49415216 UHTFJGJOQYNPHE-UHFFFAOYSA-N 359.385 4.541 0 40 FJAB CC1=NN(c2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2)CC1 52642078 UGWLGXDBYTWZAS-UHFFFAOYSA-N 362.433 4.790 0 40 FJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cnc(-c3ccccc3)nc2)cc1 58428325 TVRGOTQQTGYTOG-NRFANRHFSA-N 373.456 4.520 0 40 FJAB CN(C(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccc(F)c(F)c1 65575245 DHCWPKJRFKQKTL-UHFFFAOYSA-N 371.358 4.960 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccccc2)CC1 65858823 FFYMOPMLQLGKMR-UHFFFAOYSA-N 370.496 4.789 0 40 FJAB Fc1cccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348860 KFGVDMXOURLCTK-FQEVSTJZSA-N 361.464 4.586 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n2)cc1 72369989 JJIILQKHALFITJ-LJQANCHMSA-N 370.456 4.583 0 40 FJAB FC(F)(F)c1cnc(SCc2nc(-c3ccoc3)no2)c(Cl)c1 95351253 YMUUDIDFZSZZAG-UHFFFAOYSA-N 361.732 4.689 0 40 FJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(F)c(F)c2)SC1 95477540 PJZDWCSOAPECGV-GOSISDBHSA-N 371.412 4.634 0 40 FJAB CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 102075827 NEYPTZLZXOPDNO-OALUTQOASA-N 367.832 4.978 0 40 FJAB Cc1noc2c1[C@@H](c1cccnc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102721964 KXXSQQWERJZWPQ-OXQOHEQNSA-N 357.413 4.986 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(Cl)cc2)cc1 222891919 QHOPOVOGLDCIOQ-HXUWFJFHSA-N 359.897 4.809 0 40 FJAB Cc1ccc(CNC(=S)Nc2ccc(Nc3ccccc3C)nc2)o1 223907942 QZHZXKHGUWNCCC-UHFFFAOYSA-N 352.463 4.522 0 40 FJAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929192 CETRIAWLHMOBGV-UHFFFAOYSA-N 364.681 4.862 0 40 FJAB Fc1ccccc1NC(=S)NCCSCc1c(F)cccc1Cl 225367746 AHGBZCSCUGOKLT-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB CC(C)C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1 225618320 UKCIXKWCSYWMGH-SFHVURJKSA-N 360.295 4.895 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225820886 XDRITICWHASFKO-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 257232805 GMMHHNCRBYTWGS-MRXNPFEDSA-N 355.457 4.635 0 40 FJAB CN(Cc1cccc(O)c1)C(=O)c1ccc(Oc2ccccc2Cl)nc1 530842352 ILRQVNLILRSPSS-UHFFFAOYSA-N 368.820 4.505 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1cc(-c2ccco2)on1 585150721 FZZPTWPORBPKTK-LBPRGKRZSA-N 352.415 4.510 0 40 FJAB Cc1ccc([C@@H]2CCN(C(=O)c3cccc4cc(O)ncc34)C2(C)C)cc1 1583668329 PDMHSDAUBMAZLB-FQEVSTJZSA-N 360.457 4.657 0 40 FJAB Cc1ccc(-c2noc(CC3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 1889045507 URYHKLDRFKGPEQ-UHFFFAOYSA-N 365.452 4.639 0 40 FJAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc3ccccc23)CC1 785845 IYCPKBLAVCCJPP-UHFFFAOYSA-N 372.512 4.710 0 40 FJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC[C@H]1C 854727 ZUMHBSWISXBQOV-SNVBAGLBSA-N 353.249 4.971 0 40 FJAB Fc1ccc(Sc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 1390219 PWZCWSCZEXZRHG-UHFFFAOYSA-N 351.328 4.848 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(F)cc1 2315869 FEBXWFSPRPHJHP-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1 2746080 JYIAPFGPAUZSIB-UHFFFAOYSA-N 373.412 4.849 0 40 FJAB CCCCOc1ccc(S(=O)(=O)c2ccc(OCCCC)cc2)cc1 3065537 ZBRNRMJVIUSOBT-UHFFFAOYSA-N 362.491 4.877 0 40 FJAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3263126 IIFPNGAIPMIDRQ-UVFZJDOJSA-N 362.640 4.649 0 40 FJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1 3355656 BBYXGTNYDLKMHP-UHFFFAOYSA-N 357.447 4.926 0 40 FJAB Cc1cc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c2ccccc2n1 3392946 HGUGSIANCPGXIP-CYBMUJFWSA-N 353.805 4.625 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1Cl 4275904 MFNNGRCWZHNPBY-UHFFFAOYSA-N 368.607 4.949 0 40 FJAB C[C@H]1CC=CC[C@H]1COC(=O)CCCCC(=O)OC[C@@H]1CC=CC[C@@H]1C 4783018 FVBFUZKTISMNMG-MUGJNUQGSA-N 362.510 4.838 0 40 FJAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1 6264751 DSSOQDMJBNYLAO-UHFFFAOYSA-N 350.466 4.666 0 40 FJAB CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1S[C@H]1CCOC1=O 6587639 BMPUZHHMEQNSRL-IBGZPJMESA-N 364.470 4.645 0 40 FJAB Clc1cc2c(c(COc3ccccc3Br)c1)OCOC2 6654021 AWMSVXPRPQGVIX-UHFFFAOYSA-N 355.615 4.548 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc(C)c1C 6809802 KPVYONYKZWOCLQ-UHFFFAOYSA-N 371.458 4.777 0 40 FJAB CCc1nnc(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)O)o1 7508371 FUVJQBKUTRHINE-RAXLEYEMSA-N 374.443 4.594 0 40 FJAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c(C)c1 7580435 TUASKNAUVVOWGJ-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1C 7615741 APZLCPXFBDGFKD-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 7642000 PREJQFYCKWQUSV-ZDUSSCGKSA-N 356.422 4.664 0 40 FJAB O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1)C1CC1 8042060 KWQSFUJDXKNHGK-UHFFFAOYSA-N 364.426 4.554 0 40 FJAB COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(Cl)c1 8169050 RMCSLIGYARWAAD-RMKNXTFCSA-N 366.642 4.763 0 40 FJAB Fc1ccc(COc2ccc(Cl)cc2CNCc2ccncc2)cc1 8418814 WTZMDJQNZGORAG-UHFFFAOYSA-N 356.828 4.743 0 40 FJAB Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(Br)c1 11457540 WQYXUARPDYMCTJ-MRXNPFEDSA-N 362.292 4.721 0 40 FJAB Cc1cccc(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)c1 12520788 OTYGGRKJOKIHBA-GOSISDBHSA-N 368.868 4.635 0 40 FJAB NC(=O)[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 12538910 RILCECOVEOITJU-IBGZPJMESA-N 352.821 4.771 0 40 FJAB CC(C)[C@@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 12792766 CPNVYPCFDUMGLJ-HXUWFJFHSA-N 365.502 4.682 0 40 FJAB CCc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 12870117 PEKCOOUKJDIYCD-NRFANRHFSA-N 351.471 4.595 0 40 FJAB CC(C)c1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1 13728275 FLRVELMHKLYPBT-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB COc1cccc(-c2cc(C(F)(F)Cl)c3c(C4CC4)nn(C)c3n2)c1 13961012 SJIQOYMDJUKNTB-UHFFFAOYSA-N 363.795 4.809 0 40 FJAB C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccc2ccccc2c1 14201384 LFLNELPFZXJASF-GOSISDBHSA-N 350.506 4.667 0 40 FJAB C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1ccc2ccccc2c1 15625368 SAXMUQKFPGEEET-CJTWTEFWSA-N 353.425 4.674 0 40 FJAB Cc1ccc(-n2ncc3c(NCc4ccc(F)cc4)ncnc32)cc1Cl 17120914 CFGCFEBSLIJFQK-UHFFFAOYSA-N 367.815 4.529 0 40 FJAB Fc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1F 18138476 WIGUHRBXJDGODR-UHFFFAOYSA-N 358.866 4.697 0 40 FJAB Cc1ccsc1CN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1 19238597 IKJCCVIIPAJULZ-UHFFFAOYSA-N 357.567 4.763 0 40 FJAB O=C(O)c1ccccc1-c1oc2cc(O)ccc2c(=O)c1Oc1ccccc1 19703085 IBYUHMKVRXMUFS-UHFFFAOYSA-N 374.348 4.656 0 40 FJAB biogenic Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccccc2C)c2ccccc2)cc1 22513473 MOXNWAQMENQLDE-CVDCTZTESA-N 359.469 4.977 0 40 FJAB O=C(Nc1ccc2c(c1)CCO2)c1cc(-c2ccco2)nc2ccccc12 25086745 GXDOTTDLWKAKNV-UHFFFAOYSA-N 356.381 4.682 0 40 FJAB Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 27584329 KOCLJQIQFGYLMB-QFIPXVFZSA-N 350.506 4.651 0 40 FJAB CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O 27638705 CTQQHQGBBMYJPT-WFEAJIPZSA-N 364.526 4.916 0 40 FJAB Cc1ccc(NC2=NC(c3ccccc3)N=C(Nc3ccc(C)cc3)N2)cc1 30874449 MVUPWTFTUCHGMJ-UHFFFAOYSA-N 369.472 4.841 0 40 FJAB COc1cccc(CCC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1 33645030 YWTSMGKKXWLCLT-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB C[C@@H]1c2cc(Cl)ccc2O[C@H]2c3ccc(Br)cc3C(=O)N21 35324809 ZMEWLWRKVJSCKJ-BCTVWOGZSA-N 364.626 4.711 0 40 FJAB O=C(Nc1cc(F)ccc1F)c1cc(C2CC2)nc2onc(C3CC3)c12 36617367 PAYRPGVQPHPSHB-UHFFFAOYSA-N 355.344 4.508 0 40 FJAB CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccc(Cl)cc12 38486597 WUOUCAGAXJUASD-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 39762493 IOWIXKYILQTGHS-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB O=C(NC1CCC(c2ccccc2)CC1)c1cc(Cl)c2c(c1)OCO2 40070316 UXYWCUNCPWNNIA-UHFFFAOYSA-N 357.837 4.525 0 40 FJAB CCc1cc(N)cc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 45890444 JMJNCZSCMSQAKR-NSHDSACASA-N 367.276 4.852 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1 48288121 WFGHQNXWFHODDB-UHFFFAOYSA-N 360.369 4.881 0 40 FJAB CCc1ccc([C@@H](NCC(=O)Nc2cccc(C)c2)c2cccs2)cc1 57455910 TVCUPYXKZAQBHA-JOCHJYFZSA-N 364.514 4.937 0 40 FJAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)C[C@H](c2ccccc2)O1 65522950 MENIKPIISWCXNA-QVKFZJNVSA-N 365.404 4.688 0 40 FJAB CC[C@H](C(=O)N[C@H]1CCc2c(O)cccc21)c1cccc(C(F)(F)F)c1 79054092 XDPGZASHGSMQHB-YOEHRIQHSA-N 363.379 4.708 0 40 FJAB Nc1nc(Cl)cc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 95349014 REMQDMBPFJDZCH-UHFFFAOYSA-N 357.641 4.542 0 40 FJAB O=C(Nc1ccccc1Cl)Nc1ccccc1Cc1nc(C2CC2)no1 96119609 NSVCZNFZOFYHLM-UHFFFAOYSA-N 368.824 4.835 0 40 FJAB C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 103150783 HXFYSWZNANTAMI-MMMWYMCRSA-N 357.425 4.552 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Br 222626349 XXXOSYHCVQBQAY-ZDUSSCGKSA-N 374.278 4.734 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 223620103 PBVWLXQYLAAVTA-OAQYLSRUSA-N 353.506 4.902 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3Cl)nc2c1 226270373 UQONSAHFCBMHJX-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccccc2)c1 408699394 UAGNJTBKHGNUCR-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 409381238 KXXKKLHZBMYJDQ-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ncc(-c2ccccc2)s1 511179211 ZLVMDLSCCALVKL-UHFFFAOYSA-N 373.275 4.754 0 40 FJAB Cc1cccc(-c2ccc(CNC(=O)c3cc4c(nc3O)CCCC4)cc2)c1 524570239 ORCIEUSTXNPIHV-UHFFFAOYSA-N 372.468 4.571 0 40 FJAB Cc1cc(C)c2nc(NC(=O)c3ccccc3Br)sc2c1 826468 PNDPWTJWKNSXAD-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1ncnc2sc3c(c12)CCC3 950093 MADJOBGIDXWWQA-UHFFFAOYSA-N 369.515 4.528 0 40 FJAB COc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)cc1 1223905 UFFWLIRMLKNLEG-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CCc1nc(SCC(=O)c2cccc(OC)c2)c2c(C)c(C)sc2n1 1372162 JCQHRRKKGXXLDB-UHFFFAOYSA-N 372.515 4.854 0 40 FJAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)CC)cc12 1522227 TWXMYNINIRASEB-UHFFFAOYSA-N 365.429 4.739 0 40 FJAB COc1ccccc1Nc1nc([C@]2(C)C[C@@H](CC(C)C)C(=O)O2)cs1 2134627 MNLGDKIPLXSVRM-YJYMSZOUSA-N 360.479 4.720 0 40 FJAB biogenic CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Cc1cccc2ccccc12 2721954 KLRFQNAVPMCFJV-UHFFFAOYSA-N 372.424 4.679 0 40 FJAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(Cl)c1 2728916 IJJFHNCHCFWBRU-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)cs1 3447072 AJQDNJWSLZSBDM-AWEZNQCLSA-N 366.511 4.880 0 40 FJAB CCOc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1 4823027 VWLPEJSPURQONM-UHFFFAOYSA-O 371.460 4.796 0 40 FJAB in-vitro CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 5461631 JTXBFIFKPUDJIU-GFCCVEGCSA-N 363.866 4.636 0 40 FJAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 6621765 RZDOAIHDBJVCNL-OAHLLOKOSA-N 357.413 4.846 0 40 FJAB COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)c1 6971051 KSNOYQIIDVCDFJ-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB COc1ccc2c(CC(=O)N[C@H](CC(C)C)c3ccccc3)coc2c1 7037047 JYPWYHYRZWSMAX-HXUWFJFHSA-N 351.446 4.888 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1cccc(Cl)c1 8291241 JGBCNJURJXMXNE-LBPRGKRZSA-N 360.866 4.548 0 40 FJAB COc1ccc(-n2ccnc2SCc2cc(-c3cccs3)on2)cc1 8708511 VRTGQPBCBANYIO-UHFFFAOYSA-N 369.471 4.890 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 9137104 YGMHYBXTSDYGAA-UHFFFAOYSA-N 350.462 4.635 0 40 FJAB CCc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCCC3)n2)cc1 10213689 KILOCJYBMVWBKM-UHFFFAOYSA-N 374.492 4.830 0 40 FJAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(Br)ccc1Cl 11204455 MBDZVZGAHIATBS-INIZCTEOSA-N 364.670 4.984 0 40 FJAB COc1ccc(C2(NCc3c[nH]nc3-c3cccs3)CCCC2)cc1 12147584 ZZJZTJNZUFWGIX-UHFFFAOYSA-N 353.491 4.706 0 40 FJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 14095537 PLFCHZRFQZSXEN-IBGZPJMESA-N 361.489 4.509 0 40 FJAB CC(=O)NCCCc1ccc(-c2nc3ccccc3c(C)c2Cl)cc1 15453956 OOIAGTVJPQFHQU-UHFFFAOYSA-N 352.865 4.932 0 40 FJAB COC[C@@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(OC)cc1 16045096 UWAUPHCTVDSRDL-KHESLQRKSA-N 372.465 4.804 0 40 FJAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cn3cc(Cl)cn3)n2)cc1 17076010 RUDKNHVMYQLCBV-UHFFFAOYSA-N 370.790 4.851 0 40 FJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)C(C)C)CC2)n1 19687043 XFKCKTSSSRPMLY-UHFFFAOYSA-N 370.924 4.996 0 40 FJAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1Cl 20137788 NJSQXZZIUBFGKE-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 20494608 BGMVOGWCPVJABO-INIZCTEOSA-N 369.939 4.853 0 40 FJAB O=c1[nH]c2ccc(NCc3ccc(-c4ccc(F)c(Cl)c4)o3)cc2[nH]1 20877765 VHIOMQKBVLKLML-UHFFFAOYSA-N 357.772 4.521 0 40 FJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1c1ccccc1 22877720 WNATTXRLVDEGEA-KBXCAEBGSA-N 374.278 4.580 0 40 FJAB Cc1nc(Cc2nc(-c3ccc(Br)s3)cs2)cs1 26981844 KGOAJXPUMABGPT-UHFFFAOYSA-N 357.323 4.990 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 27583596 ATSORIGNWWNIFM-UHFFFAOYSA-N 356.809 4.873 0 40 FJAB CCc1ccc([C@@H](NC(=O)[C@H]2Cc3ccccc3O2)c2cccs2)cc1 29429100 RUFHZIBTMKUPEP-TZIWHRDSSA-N 363.482 4.520 0 40 FJAB Cc1nc(COc2ccc(/C=C/C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cs1 29515870 SSLLIPQUWCPUJG-HKFHSAMXSA-N 370.518 4.548 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38834278 UKWHYFIOAFQIDD-QGZVFWFLSA-N 372.896 4.589 0 40 FJAB CCN(CC)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 39984255 LWSXCKQVALQZQR-UHFFFAOYSA-N 367.880 4.604 0 40 FJAB COc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 45925300 JISQQYVZNKMRHX-UHFFFAOYSA-N 353.472 4.759 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccnc2)n(-c2ccccc2)n1 64472829 VACUDLFNSKEVND-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB COc1ccc(-c2noc(Cc3nc(-c4ccc(F)cc4)cs3)n2)cc1 67246068 PRYXEHSBVGWEGR-UHFFFAOYSA-N 367.405 4.599 0 40 FJAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3ccccc3c2)cc1 71195073 VKVFLRWXEHWFSG-JOCHJYFZSA-N 372.468 4.646 0 40 FJAB O=C(NNc1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12 89841024 ZPKACLBCIQWVPI-UHFFFAOYSA-N 359.404 4.586 0 40 FJAB Cc1nc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccn23)cn1C(C)C 96154949 CRTVCAUNVOANDI-INIZCTEOSA-N 364.493 4.707 0 40 FJAB CC(C)(C)C1CCC(CC(=O)NCc2ccccn2)(n2cccc2)CC1 96343771 JAZVRZSEOCRECT-UHFFFAOYSA-N 353.510 4.521 0 40 FJAB COc1cccc2cc(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc12 216607359 JNZFOCNYKNLBSO-UHFFFAOYSA-N 351.793 4.922 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 224191037 YFNMADABBSDMCG-MOPGFXCFSA-N 365.527 4.937 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)c1 224225209 CDTNKWCNBYWJGR-UXHICEINSA-N 362.502 4.512 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 224985073 XOGYPQFRLXRBKW-UHFFFAOYSA-N 355.931 4.680 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1Cl 225866860 YUGZKUKIPGEYMP-UHFFFAOYSA-N 366.914 4.526 0 40 FJAB CC1([C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 253596169 OAWOATRDZLDNDV-QFSSDPKNSA-N 362.554 4.769 0 40 FJAB Cn1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc21 409133173 PACQAFJGVMEKGC-WOJGMQOQSA-N 354.475 4.795 0 40 FJAB Cc1cc(C)cc(-n2nc(NC(=O)c3ccc(C)c4c3CCC4)cc2C)c1 1266682508 HVVJOFOPRRWIOR-UHFFFAOYSA-N 359.473 4.847 0 40 FJAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2nc(-c3cccc(Cl)c3)cc2n1 1340771 SEECMLGFTCWDCJ-KBPBESRZSA-N 354.885 4.840 0 40 FJAB Cc1cccc(C)c1N1CCc2cnn(C(=O)Nc3cccc(Cl)c3)c21 2269111 YSGHZMDMTSSUFE-UHFFFAOYSA-N 366.852 4.928 0 40 FJAB Cc1nc(NC(=O)CSc2nc3ccccc3o2)c(Cl)cc1Cl 2636806 WFHHBLLAXWGROV-UHFFFAOYSA-N 368.245 4.569 0 40 FJAB Cc1cc(Cl)ccc1OCCCC(=O)NCCCCc1ccccc1 2737871 SYWLAJXKDPLQBG-UHFFFAOYSA-N 359.897 4.947 0 40 FJAB CCC(NC(=O)N(CC(C)C)CC(C)C)(C(F)(F)F)C(F)(F)F 3103659 GZEOXENZVCKIPJ-UHFFFAOYSA-N 350.347 4.583 0 40 FJAB CCc1c(-c2ccc(OC)cc2)c(=O)oc2ccc(Br)cc12 3255847 CVDQXOMGPBSYOJ-UHFFFAOYSA-N 359.219 4.794 0 40 FJAB Cc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 3332197 LVMNDQIYUFIPHY-UHFFFAOYSA-N 373.528 4.703 0 40 FJAB CCOc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 4586221 PJRMWVMJTDVCHE-UHFFFAOYSA-N 350.370 4.922 0 40 FJAB biogenic Cn1c(CN2CCCCC2)nc2cc(NCc3ccc(Cl)cc3)ccc21 4624611 AZMNNWDZOZPJMS-UHFFFAOYSA-N 368.912 4.825 0 40 FJAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1Br 4666357 LSFMIBIYEXNKAX-UHFFFAOYSA-N 370.246 4.928 0 40 FJAB CC(C)CCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O 5100550 GTGXEELGORCEPI-UHFFFAOYSA-N 373.547 4.620 0 40 FJAB FC(F)Oc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1 5930510 SLQAMNYXGNWUFM-UHFFFAOYSA-N 366.477 4.791 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 8073868 BCFKVAVJOWXGPE-UHFFFAOYSA-N 359.425 4.619 0 40 FJAB O[C@@H](CNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 8178394 USEWLAAHLQCLAP-KRWDZBQOSA-N 365.433 4.643 0 40 FJAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 8339295 ZMLVPEOJFHSJKY-UHFFFAOYSA-N 369.277 4.814 0 40 FJAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)c1 12075106 KXZGTYDFVSGJJY-NSHDSACASA-N 360.410 4.746 0 40 FJAB C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 12617383 MIUPUYSANHSQLF-AWEZNQCLSA-N 364.470 4.705 0 40 FJAB Cc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1 12926588 IRJISFXEZMCUSL-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)ccc1C 12982232 XIKVEDABLBVLNE-INIZCTEOSA-N 366.486 4.633 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 21836307 PCMLNEZRMVAOFY-MRXNPFEDSA-N 368.260 4.648 0 40 FJAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 22162486 HOMJFLISTQZYMR-ZDUSSCGKSA-N 372.490 4.919 0 40 FJAB Cc1ccc(-n2nc(C)c(NC(=O)Cc3c(C)[nH]c4ccccc34)c2C)cc1 24788422 FBNCKGIHROWKER-UHFFFAOYSA-N 372.472 4.768 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 28468727 YVFCROGEFTZNTR-UHFFFAOYSA-N 370.880 4.932 0 40 FJAB CC(C)(C)c1cc(NC(=O)CNc2ccccc2Oc2ccccc2)on1 32753273 RVDYYTZOQYUTHK-UHFFFAOYSA-N 365.433 4.815 0 40 FJAB O=C(CN1CCCc2cccc(F)c21)Nc1ccccc1-c1ccccc1 32906852 HTSVFSMGWNCSHY-UHFFFAOYSA-N 360.432 4.884 0 40 FJAB CCC[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccccc1 32924183 IOIVLZHSPRRZCX-LJQANCHMSA-N 363.461 4.717 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N(C)C(C)C)c(F)c2)c(C)c1 40152958 VUDWSCTYEOVLHA-MRXNPFEDSA-N 357.473 4.726 0 40 FJAB CC(C)c1noc(CCCC(=O)Nc2ccccc2Oc2ccccc2)n1 41613066 ZVBSIIBLPWUGJK-UHFFFAOYSA-N 365.433 4.947 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44905820 XZCUHMYUXOJJOH-ICSRJNTNSA-N 368.496 4.532 0 40 FJAB O=C(CSCCCc1ccccc1)Nc1ccc(OC(F)F)cc1 57686182 MRRQLRFZRTWTNN-UHFFFAOYSA-N 351.418 4.593 0 40 FJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)cc1Cl 72329337 PMSPSFXEHXCKJU-CYBMUJFWSA-N 369.852 4.620 0 40 FJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72353828 IALUOARNLGRALJ-LJQANCHMSA-N 370.924 4.996 0 40 FJAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccncc1Cl 73049623 AJTSNADDUZRRDV-NSHDSACASA-N 357.866 4.658 0 40 FJAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cccnc2N2CCCC2)o1 75543977 AMRHEJNKKRPILN-QAPCUYQASA-N 368.481 4.588 0 40 FJAB Clc1cc(Cl)c2nc(CSc3ncnc4ccsc34)cn2c1 84618382 ZXKNIIRMICOEPF-UHFFFAOYSA-N 367.286 4.938 0 40 FJAB COc1cc2c(cc1NC(=O)Nc1c(C)n[nH]c1C)oc1ccccc12 89522939 IJFBXTXZJUAZEO-UHFFFAOYSA-N 350.378 4.579 0 40 FJAB Cc1cc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c(C)n1-c1nccs1 97695806 SXBFATZTCYUHQE-CQSZACIVSA-N 355.463 4.509 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)c(C)c1 100477086 UYWAQGHNJDHIGC-QVKFZJNVSA-N 367.518 4.638 0 40 FJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccco2)C1 100626506 ICITYUFDYDUMKE-QRQCRPRQSA-N 366.461 4.573 0 40 FJAB CC(C)(C)OC(=O)c1ccc(OCCCCCCCCC(=O)O)cc1 167606438 OMXSFVIUUILFGW-UHFFFAOYSA-N 350.455 4.836 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3OC(C)C)N21 222668062 YPNKZMGBUICRDJ-UIAACRFSSA-N 367.518 4.848 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C(F)(F)F)c1 222827479 JLWOOLKJKCUUQH-QGZVFWFLSA-N 365.395 4.796 0 40 FJAB CCCCCNC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224294759 LUFDTOJYMZBJRP-UHFFFAOYSA-N 355.478 4.811 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccc(C(C)(C)C)cc1 224518238 IXPRGLHJJIZJMY-UHFFFAOYSA-N 367.489 4.854 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1 224988647 YIHFZLSKKVOTMX-UHFFFAOYSA-N 366.288 4.900 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(Cl)cc1)CC(C)(C)O2 225309609 GGXMYTHNUNJWBP-SFHVURJKSA-N 357.881 5.000 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(C)c1 225393563 OAPKKLFYUSCMBD-QUCCMNQESA-N 369.505 4.964 0 40 FJAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)cc1 225456109 VZICQHCIQPOEQL-UHFFFAOYSA-N 364.518 4.791 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2 225584561 LTTPQEUYQCGTLK-HXUWFJFHSA-N 351.490 4.963 0 40 FJAB COc1ccc(SCCCNC(=S)Nc2ccc(C)c(C)c2)cc1 225802291 FAGPNGBQQVRTPG-UHFFFAOYSA-N 360.548 4.781 0 40 FJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225897145 SUGYONNJXIDCTL-NRFANRHFSA-N 358.482 4.946 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1[C@@H](C)CCC[C@H]1C 226330007 GUFDPWJUXXLYLN-GASCZTMLSA-N 355.457 4.736 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1C[C@H](C)C[C@@H](C)C1 226330505 NAOFDRSICMKMAT-ZIAGYGMSSA-N 371.912 4.965 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1Cl 408587350 UCIZRPRYHRXKPR-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCCc1ccccc1 575411023 ZPDFDCAZWYNQSB-UHFFFAOYSA-N 372.424 4.633 0 40 FJAB C/C=C/C[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)C1 629376321 VNROJHYRGSQXOZ-XYBNCVKDSA-N 356.491 4.687 0 40 FJAB Cc1cc(C)c2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1 1343017 DCMMNEYGRFQHRE-UHFFFAOYSA-N 353.491 4.665 0 40 FJAB Cc1sc2ncnc(SCC(=O)Nc3cccc(Cl)c3)c2c1C 2370761 YLUZOBXCDUZUAJ-UHFFFAOYSA-N 363.895 4.692 0 40 FJAB Cc1nc2oc3c(NC4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2434181 PKCFLKZIXGPLDU-UHFFFAOYSA-N 366.465 4.675 0 40 FJAB CC(C)c1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3nnnc3N2)cc1 2500082 YWLDSRRZNJLYBW-ZWKOTPCHSA-N 353.857 4.596 0 40 FJAB CC[C@@H](C)NC(=O)N[C@H](c1ccc(C)c(F)c1)C(Cl)(Cl)Cl 3198570 XETVJSOLHZBSNR-BXKDBHETSA-N 355.668 4.643 0 40 FJAB O=C(OCc1nc2ccccc2s1)C1(c2cccc(F)c2)CCCC1 3320786 FKGDOZJMQIAERJ-UHFFFAOYSA-N 355.434 4.991 0 40 FJAB Cc1nc2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2s1 3449490 ABMZBHFCMZHWKF-UHFFFAOYSA-N 366.364 4.641 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1 3602955 IJNYVCSGZDVBRM-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB Cc1c([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)c2ccccc2n1C 4092301 DGECMFCTJZBCGV-WLRWDXFRSA-N 365.502 4.527 0 40 FJAB O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 4622842 ZTRBOBVGGNZMJG-ZVBXDABRSA-N 358.485 4.875 0 40 FJAB Cc1cccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)c1 4685324 JVRWZXQWGOXMQW-HZPDHXFCSA-N 374.275 4.622 0 40 FJAB CCc1cccc2cc3c(N)c(C(=O)c4ccc(F)cc4)sc3nc12 5000286 HZRCHHUCJSIFQJ-UHFFFAOYSA-N 350.418 4.964 0 40 FJAB COc1cc2nc(Nc3ccc(Br)cc3)sc2cc1OC 5087648 YNCXRPPUKPZHOL-UHFFFAOYSA-N 365.252 4.820 0 40 FJAB Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)c1 5190787 ZCMRAKBCTRFVAY-QGZVFWFLSA-N 362.292 4.845 0 40 FJAB CSc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 5695678 XOIBKMUEWUDOCR-DHZHZOJOSA-N 354.500 4.756 0 40 FJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 6128010 HIAOVVFXRKOIFY-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB CCc1ccc(OCC(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1 6243673 CJXDWKZGHUADKT-OAHLLOKOSA-N 370.518 4.655 0 40 FJAB CSCCOC(=O)c1cc(NC(=S)c2ccoc2C)ccc1Cl 6483674 HMDWOBWBTGNJHY-UHFFFAOYSA-N 369.895 4.549 0 40 FJAB CSCC[C@H](NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1 6506198 HSKAADJBUCEZNN-INIZCTEOSA-N 365.458 4.533 0 40 FJAB COc1ccc([C@@H](C)NC(=O)CSc2ccc3ccccc3c2)cc1F 7073981 LWOCPWIXWYJOFP-CQSZACIVSA-N 369.461 4.957 0 40 FJAB c1coc(-c2cc(CN3CCC[C@@H]3c3nc4ccccc4s3)no2)c1 7359999 QRZRIZSHDOBYIY-OAHLLOKOSA-N 351.431 4.881 0 40 FJAB COc1ccc(-c2c(-c3ccccc3)n[nH]c(=O)c2-c2ccccc2)cc1 8628064 IPKPPRBHTYRFDY-UHFFFAOYSA-N 354.409 4.780 0 40 FJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1Cl 9063124 JOYLGJCLSMGAHI-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB Cc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c(C)c1 9478329 NHHSPRMSEMQJRG-UHFFFAOYSA-N 351.475 4.658 0 40 FJAB Cc1ccc(-c2onc3ccc(C(=O)NCCc4ccccc4)cc23)cc1 9528959 SXKJWWLJOHTZRW-UHFFFAOYSA-N 356.425 4.776 0 40 FJAB CN1C(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2ccccc21 9827800 TZJCDMGDEUHKOX-UHFFFAOYSA-N 374.396 4.818 0 40 FJAB O=C(c1cc2ccccc2s1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10545928 VJJSNCKMUWSTJO-HNNXBMFYSA-N 361.470 4.797 0 40 FJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1F 10691995 AXONDJBRUIHZEE-LJQANCHMSA-N 358.416 4.869 0 40 FJAB Cc1cc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c(C)c1 11052556 MHPFYYCSNUGQQV-CQSZACIVSA-N 351.446 4.628 0 40 FJAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Br)cc1F)C2 11375533 FYFDUOXSRPYVBW-HNNXBMFYSA-N 366.255 4.552 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(CSC(F)F)o2)c1 12931163 ADJBIKIVHXHOMK-UHFFFAOYSA-N 371.405 4.785 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1Cl 12945291 DNMKRKFTPUCZDR-LLVKDONJSA-N 362.907 4.945 0 40 FJAB CC(=O)NCCCCCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 12948286 AUSPBPYDGGLTTR-UHFFFAOYSA-N 374.868 4.767 0 40 FJAB CC[C@H](C)[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 13008484 PUHANAMFCXHHEL-KKSFZXQISA-N 350.462 4.582 0 40 FJAB CCN(CC)C(=O)C[C@]1(Cc2ccccc2Cl)CCO[C@@H](C(C)C)C1 13655780 ABFDXIGXACACJB-CTNGQTDRSA-N 365.945 4.962 0 40 FJAB COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)c1 13896753 ZAFQYGYKTLRULA-BZZOAKBMSA-N 370.408 4.926 0 40 FJAB O=C(N[C@H]1CCSc2ccccc21)N[C@@H]1CCSc2ccccc21 14013515 YHWNDHACNYTFLO-IYBDPMFKSA-N 356.516 4.760 0 40 FJAB Cn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1 14094896 SCFQUGBKNJWXIQ-UHFFFAOYSA-N 372.837 4.676 0 40 FJAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(NC(C)C)s3)o2)c1 14108831 WRHANPWMGBLVMG-LLVKDONJSA-N 361.496 4.570 0 40 FJAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl 14268968 RFPLMQGHQJWZIC-AWEZNQCLSA-N 358.869 4.980 0 40 FJAB Clc1ccc(COc2ccc(Cl)cc2CNC[C@@H]2CCCO2)cc1 16401777 USMURXJCDSYENG-SFHVURJKSA-N 366.288 4.841 0 40 FJAB Fc1ccc(CCNCc2ccccc2OCc2ccc(F)cc2)cc1 16449692 HMUILGXSBHGLJA-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB c1ccc(-c2nc3ccccc3nc2-c2nnc(-c3ccncc3)s2)cc1 16492113 IZZNAUTVMVXWCY-UHFFFAOYSA-N 367.437 4.877 0 40 FJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1Br 17076402 WWGSGVQFDYSVKM-UHFFFAOYSA-N 373.294 4.687 0 40 FJAB CCCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20141486 GJNAFURLUCHTRX-UHFFFAOYSA-N 365.429 4.788 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 20630352 MFYQEKUJGIXOHB-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(F)cc2)s1 22535553 DQQSLJHWNAFKQR-UVTDQMKNSA-N 359.813 4.666 0 40 FJAB FC(F)(F)c1ccnc(Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 24055439 CUCXZGDPOONWBM-UHFFFAOYSA-N 351.328 4.671 0 40 FJAB O=C(Cc1noc2ccccc12)N(CCc1ccccc1)Cc1ccccc1 30773950 VEPBKJMQHKOJGI-UHFFFAOYSA-N 370.452 4.642 0 40 FJAB COC(=O)N(C)c1ccc(NC(=O)c2oc3c(C)ccc(C)c3c2C)cc1 56450820 GFUYQRXBBPJXEH-UHFFFAOYSA-N 366.417 4.813 0 40 FJAB CSc1ccc(-c2noc(CN3CC=C(c4ccccc4)CC3)n2)cc1 57427626 DJJBJLBMGDTLFM-UHFFFAOYSA-N 363.486 4.748 0 40 FJAB C[C@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cccc(F)c1 57607696 KPNOVXWPTNXBKH-ORAYPTAESA-N 372.440 4.733 0 40 FJAB CCCCn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67259711 WJJVYHMFNNXFLO-UHFFFAOYSA-N 360.429 4.767 0 40 FJAB Cc1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1C1CC1 71844415 UOAKRVVMACHYHP-IBGZPJMESA-N 374.431 4.849 0 40 FJAB Cc1ccc(C)c([C@H](NC(=O)c2ccc(Cl)cc2)c2cccnc2)c1 72242831 PVQVXXBASNEYMZ-HXUWFJFHSA-N 350.849 4.871 0 40 FJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(F)c21 101061504 YCAOLNUQNWWJIT-SDXDJHTJSA-N 354.859 4.708 0 40 FJAB COc1ccc(Br)c([C@@H]2CCCN2C(=O)OC(C)(C)C)c1 199829653 LOPMVFDLNSTKCX-AWEZNQCLSA-N 356.260 4.530 0 40 FJAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccccc1Cl 216829578 QVRYAOXGLJOIEJ-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 219200939 LXHVHPJBDCWLAM-MRXNPFEDSA-N 364.489 4.602 0 40 FJAB CCOc1ccccc1CCCNC(=O)CCc1cccc2ccccc12 222672931 PLUXFNPWKZDKQJ-UHFFFAOYSA-N 361.485 4.920 0 40 FJAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222757368 VXNMFYSGUQNTLR-MSOLQXFVSA-N 369.877 4.597 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)cc1F 222886518 YJNGCNTWGZSBAC-MRXNPFEDSA-N 363.816 4.520 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 223512080 WGGMAMZBYWTNQF-YLJYHZDGSA-N 355.478 4.655 0 40 FJAB CC1(C)CCc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2O1 223658361 BTWSGEOZWPEMDS-UHFFFAOYSA-N 367.470 4.744 0 40 FJAB Cc1ccccc1CSCC(=O)NCCOc1ccccc1C(C)(C)C 223667175 BMLODCUPUQMRFT-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225575854 XFGQFSQNTUSMHJ-QGZVFWFLSA-N 356.491 4.674 0 40 FJAB CC[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccc(OC)c(C)c1 225626457 XZPHLALMYUNFNM-LJQANCHMSA-N 357.519 4.813 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1snnc1-c1ccccc1 225759452 XAGUFTZHMJXPLK-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB O=C(c1cccs1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257208559 BMQRGNMNJPTPEG-QGZVFWFLSA-N 370.449 4.833 0 40 FJAB Cc1ccccc1CN1CCC(c2cncc(Nc3ncccc3C)n2)CC1 257233898 GRFOAARAYYODMM-UHFFFAOYSA-N 373.504 4.612 0 40 FJAB CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257242790 IEDDTNADODFDPJ-UFWNDYSESA-N 370.537 4.528 0 40 FJAB O=C(Nc1nc(-c2ccccc2)co1)c1ccc(F)c(C(F)(F)F)c1 670370967 HEOAPTFJYVCAPU-UHFFFAOYSA-N 350.271 4.752 0 40 FJAB CC(C)SCc1nnc2sc(Cc3cccc4ccccc34)nn12 1776111013 LUABCMZJNBYUMC-UHFFFAOYSA-N 354.504 4.571 0 40 FJAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)sc2c1 951554 CIQHCFWWHCBNRH-LBPRGKRZSA-N 360.866 4.973 0 40 FJAB COc1ccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)cc1 1329981 GVPILJPLOOJNSJ-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB O=C(c1cccnc1Cl)N1c2ccccc2OC[C@H]1c1ccccc1 1392395 FFWSNWLQUFRXNZ-KRWDZBQOSA-N 350.805 4.516 0 40 FJAB COC(=O)c1sccc1-c1ccc(COC(=O)Nc2ccccc2)o1 1393419 CZSSGBXXVPLBCS-UHFFFAOYSA-N 357.387 4.543 0 40 FJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2s1 1438317 GFWJZSQZVWUJEU-JQWIXIFHSA-N 354.928 4.737 0 40 FJAB COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1OC 1722758 ORQFDHFZSMXRLM-HOTGVXAUSA-N 358.478 4.778 0 40 FJAB biogenic,investigational COc1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)c(OC)c1 3236449 KEKFXQSLPBHNLL-UHFFFAOYSA-N 371.820 4.528 0 40 FJAB Cc1cccc(-c2c(NC(=O)c3cccs3)n(C)c3ccccc3c2=O)c1 5272022 ZVAWOFVOXGQHJZ-UHFFFAOYSA-N 374.465 4.828 0 40 FJAB CC(C)Cc1nc2sc3c(=S)nc[nH]c3c2c2c1COC(C)(C)C2 5625060 NNLCFDVJXSFDPT-UHFFFAOYSA-N 359.520 4.952 0 40 FJAB Cc1cccc(CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 6302331 JYELEGCWKUJMIU-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB Cc1ccc([C@H]2C[C@@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 6550594 VJKRBHWNWSGRQL-SJORKVTESA-N 358.367 4.752 0 40 FJAB CC(=O)c1cccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c1 6624665 RKUSPIIJEPLHLY-JOCHJYFZSA-N 352.478 4.670 0 40 FJAB biogenic Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2C(C)C)cc1 6879080 CKIGJJIPFWRDMR-UHFFFAOYSA-N 352.463 4.571 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c2ncsc12 7598851 KVXVANDIKDBYQZ-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB Cc1cccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1 7738146 DZBGRIJBNOXUDK-UHFFFAOYSA-N 370.456 4.596 0 40 FJAB CCc1nnc(NC(=O)c2ccccc2-c2nc3ccccc3s2)s1 7782414 QNRJZCQGQGWOCT-UHFFFAOYSA-N 366.471 4.630 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)c(C)c1 8496732 QQSHQRNZGOJTHP-OAHLLOKOSA-N 366.230 4.693 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1 9136409 YYQRDAYKZNBVJM-UHFFFAOYSA-N 370.452 4.727 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccccc3)s2)cc1 9346990 VRSJDXADWSTNHF-CYBMUJFWSA-N 355.488 4.633 0 40 FJAB Cc1cccc(C2=N/C(=C\c3ccccc3OCc3ccccc3)C(=O)O2)c1 9434513 TXLXRFRKMHUIQG-QNGOZBTKSA-N 369.420 4.919 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc4cccnc34)cc12 10275719 YIOJSZNPEGGYGP-UHFFFAOYSA-N 364.474 4.863 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C[C@@H](O)c1ccccc1 12788758 BJUMGNUGYMALPB-FDDCHVKYSA-N 374.484 4.665 0 40 FJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 14095545 GYRATOFOFKXGDC-IBGZPJMESA-N 361.489 4.509 0 40 FJAB COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c2cccnc12 15840639 XFEBXDWECKOVLQ-UHFFFAOYSA-N 350.418 4.531 0 40 FJAB Fc1ccc(CCNCc2ccccc2OCc2ccccc2F)cc1 16449697 LAIGYDDTXJLZOI-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccnc1Cl 18120460 ZCYZEKMISUJRJG-UHFFFAOYSA-N 369.774 4.606 0 40 FJAB CC(C)(C)C(=O)N1CCc2cc(-c3csc(-c4cccnc4)n3)ccc21 19081592 ZWWXQAGUSOWAQX-UHFFFAOYSA-N 363.486 4.807 0 40 FJAB Cc1ccccc1Cn1c(=N)n(CCCOc2ccccc2)c2ccccc21 19809299 RSIYDUADQUFRSY-UHFFFAOYSA-N 371.484 4.748 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 19814583 ZJWWJSYIKCIDTF-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB Cc1nn(C)c2sc(C(=O)Nc3cccc(OC4CCCC4)c3)cc12 23056676 GMVIZVCQFIRRMU-UHFFFAOYSA-N 355.463 4.517 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCC1=CCCCC1 23791543 VHIOQHUVAFEYHQ-UHFFFAOYSA-N 371.912 4.822 0 40 FJAB CCn1cnnc1-c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 24581381 GDQZWZWPRJUMHS-UHFFFAOYSA-N 374.469 4.946 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccccc2)oc2cc(Br)ccc12 27995369 MVNZCNDBDCMWPT-UHFFFAOYSA-N 358.235 4.776 0 40 FJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NC(C3CC3)C3CC3)c(C)c12 29384210 BFJBJTXOEOPNRK-UHFFFAOYSA-N 357.523 4.524 0 40 FJAB CCCCn1nnc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)n1 32617109 UJCLPOFFLJYPAN-UHFFFAOYSA-N 366.252 4.652 0 40 FJAB Brc1cc(Cc2ccccc2)ccc1OCC[C@H]1CCCCN1 42770236 SOMBPLAULBZBHS-GOSISDBHSA-N 374.322 4.951 0 40 FJAB CC(C)Sc1ccc(-c2nnc(NC(=O)Nc3ccccc3)o2)cc1 44224928 NQLRLNIAFSPYPG-UHFFFAOYSA-N 354.435 4.881 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 44839096 FJELBJODEBVXMI-SFTDATJTSA-N 355.478 4.756 0 40 FJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccnc(F)c1 63451633 LBPFCBSXSRHNBC-UHFFFAOYSA-N 365.389 4.875 0 40 FJAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccc2nc(C3CC3)sc2c1 63897955 IQCVEUJEVSZDRW-UHFFFAOYSA-N 358.463 4.537 0 40 FJAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 79112302 VKVVPOWGMOQKDI-OAHLLOKOSA-N 356.834 4.986 0 40 FJAB COc1cccc(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)c1OC1CCCC1 100198517 VBAZFRHWKXUWDK-DYESRHJHSA-N 364.489 4.673 0 40 FJAB Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2 101071532 PJOLLNPDHZDHDP-HNNXBMFYSA-N 359.223 4.960 0 40 FJAB C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccccc2Cl)CC3=O)C1 169363830 XXOJCYWPOYETKL-SOUVJXGZSA-N 369.896 4.525 0 40 FJAB Cc1cccc(OCCNC(=O)c2ccccc2CCc2ccccc2)c1C 223937642 HJEISLXCSKLUNE-UHFFFAOYSA-N 373.496 4.897 0 40 FJAB CCCO[C@]1(C(=O)Nc2ccc(OC)c3ncccc23)CCC[C@H](C)C1 225911788 CKJGIILDXFXDQG-YCRPNKLZSA-N 356.466 4.557 0 40 FJAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4occc4C(C)C)C3)[nH]c2c1 670812188 HWOBIVLCCWLSQW-HNNXBMFYSA-N 351.450 4.608 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C)c1CC 668305 GSEIAWGNNLADOK-UHFFFAOYSA-N 365.882 4.630 0 40 FJAB COc1cc(C=O)ccc1Oc1nnc(-c2ccccc2)c2ccccc12 947901 IGSZMFRUGMPRHX-UHFFFAOYSA-N 356.381 4.910 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1N1CCCC1 1094966 RRVKXGXOYBPANW-UHFFFAOYSA-N 365.260 4.611 0 40 FJAB CCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccc(F)c2)s1 1345483 XHJIUYKEXWABCH-UHFFFAOYSA-N 355.438 4.709 0 40 FJAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)CCC)cc3n2)cc1 1867320 MFVBSWZQAQNTLQ-UHFFFAOYSA-N 350.466 4.810 0 40 FJAB Cc1ccc([C@@]2(CCNC(=O)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 2095176 LUQWEIGNVATRAC-KNQAVFIVSA-N 371.546 4.949 0 40 FJAB biogenic O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@H]1c1cccnc1 2295030 MNQZZUFJWQVIFR-QFIPXVFZSA-N 356.469 4.967 0 40 FJAB biogenic Oc1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 2373396 KHJBRCJAVJSXLW-UHFFFAOYSA-N 368.440 4.532 0 40 FJAB CC(C)c1ccc(NC(=S)NC(=O)c2cc(Cl)nc(Cl)c2)cc1 2387822 CJFSTVFDNKEPPW-UHFFFAOYSA-N 368.289 4.639 0 40 FJAB COCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2414368 YDPAYVKQMFSBCD-UHFFFAOYSA-N 373.243 4.600 0 40 FJAB CCCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 2742203 QNNZEOLGTVVKTL-UHFFFAOYSA-N 357.475 4.836 0 40 FJAB CCNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 4511884 PKQBQUFCWVCQIO-UHFFFAOYSA-N 358.850 4.557 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)NCc2cc(C)nc3ccccc23)cc1 4710439 IAMZJTPZCZWQDI-INIZCTEOSA-N 362.473 4.752 0 40 FJAB Cc1cc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)ccc1Br 4852729 VYPMZWGONLUVOD-CRAIPNDOSA-N 373.250 4.527 0 40 FJAB O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 4883411 GKZBGZIXKACSPX-AYHJJNSGSA-N 373.884 4.640 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1=O 5440002 HYIASGMWUVFFFF-UHFFFAOYSA-N 363.244 4.681 0 40 FJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)C[C@H](C)CC3 5516127 BZNYYFOOBFIKST-CYBMUJFWSA-N 355.459 4.667 0 40 FJAB CC1(C)[C@H](CC(=O)Nc2ccc(F)cc2)C[C@@H]1C(=O)Nc1ccc(F)cc1 5727837 IQOCSCWBMBZVRV-SCLBCKFNSA-N 372.415 4.594 0 40 FJAB COc1ccc(N2N=C3c4ccccc4CC[C@@H]3N2c2ccccc2)cc1 5917269 LHOLJVPHBNFUJF-QFIPXVFZSA-N 355.441 4.656 0 40 FJAB Cc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 6030075 RLKFJVVRIPMMNE-UHFFFAOYSA-N 369.877 4.983 0 40 FJAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccccc3)n2)cc1 7643178 LJQULCJGBZAUMI-HNNXBMFYSA-N 350.487 4.934 0 40 FJAB COc1ccccc1CNc1nc(-c2ccc(NC(C)=O)cc2F)cs1 7736087 ZTOYHEXXXUFWSU-UHFFFAOYSA-N 371.437 4.528 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 8545801 OQPVUDVWVPPLQT-UHFFFAOYSA-N 369.804 4.704 0 40 FJAB Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)c1 9281331 IQMLZGVUMIIZRP-UHFFFAOYSA-N 374.484 4.812 0 40 FJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 11052846 AHTCHFMCCFZFAG-CVEARBPZSA-N 365.473 4.504 0 40 FJAB CCc1n[nH]c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 11712743 JBPDSFIRBCROQB-IBGZPJMESA-N 362.458 4.565 0 40 FJAB CC(C)COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12601726 MNIAZFVAFNMRGK-FQEVSTJZSA-N 363.461 4.575 0 40 FJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 12763136 DOTHPXSZDVXLPI-JOCHJYFZSA-N 362.498 4.643 0 40 FJAB CC(C)c1cc(C(=O)N[C@@H]2CCc3ccccc32)c2cnn(C(C)C)c2n1 12888152 JJJVAENJGVUANE-LJQANCHMSA-N 362.477 4.553 0 40 FJAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)C(=O)c3ccccc3)c2C1 13988239 NKLMJLXLTVJOCH-JKSUJKDBSA-N 373.452 4.788 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(Br)c1 14076226 JGIMPVRWQLBKLI-UHFFFAOYSA-N 363.236 4.726 0 40 FJAB COc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 14199455 JBKJBVIOMNLGMK-UHFFFAOYSA-N 371.477 4.581 0 40 FJAB O=C1C[C@@H](c2ccsc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15083286 AZIKTHYBZAJLJW-LBPRGKRZSA-N 355.440 4.649 0 40 FJAB CC(C)n1ncc2cc(NC(=O)c3cc(F)c(Cl)cc3Cl)cnc21 17574121 VITVNDGKAXWLRN-UHFFFAOYSA-N 367.211 4.710 0 40 FJAB COc1ccc(N(Cc2cccs2)C(=O)c2cccc(OC)c2)cc1 20896893 YZSAHSOCRYSXRF-UHFFFAOYSA-N 353.443 4.612 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C)c(Cl)c2)cc1 22008306 ZDRSHYFQVBNKHB-HXUWFJFHSA-N 357.881 4.953 0 40 FJAB COc1cccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 23909356 DFHPUTKVOOFOGF-QHCPKHFHSA-N 370.452 4.890 0 40 FJAB Brc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCC3)cc1 26441598 NUEMZNPUMYMPEC-UHFFFAOYSA-N 354.271 4.531 0 40 FJAB O=C([C@@H]1CC1(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 32117894 DWBVHXRPXNOGNW-QHCPKHFHSA-N 353.465 4.578 0 40 FJAB biogenic,in-vitro COc1cccc2cc(/C=C/C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)oc12 32970298 SHYNOYKVIYZLOG-QPGDCOPXSA-N 365.429 4.830 0 40 FJAB Cc1ccccc1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCCC1 35622437 CLQJTBXDBLAINC-UHFFFAOYSA-N 353.857 4.506 0 40 FJAB Cc1ccc(-c2noc(CCCc3nc(-c4ccc(C)cc4)no3)n2)cc1 41097928 BHZMAAWVVAPTRI-UHFFFAOYSA-N 360.417 4.579 0 40 FJAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 44938609 JHDRKXOOTGJKBH-UHFFFAOYSA-N 368.546 4.958 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1)c1ccco1 55311674 ZJOVUOTXPLCIQJ-LBPRGKRZSA-N 372.471 4.632 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64335968 FGVFYLVSKQJVGT-LBPRGKRZSA-N 372.519 4.992 0 40 FJAB OCc1ccc(-c2cccc([C@@H]3CCCN(CCc4ccccc4)C3)n2)cc1 72348688 HSJSZYLRSQFNTP-HSZRJFAPSA-N 372.512 4.663 0 40 FJAB Cc1csc(CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)n1 78879594 MRQRLHVZYLBXGL-UHFFFAOYSA-N 365.549 4.713 0 40 FJAB CN(C(=O)Nc1nc2ccccc2s1)[C@H](c1ccccc1)c1ccccn1 89310299 QPLZYBZZGDHNHT-LJQANCHMSA-N 374.469 4.945 0 40 FJAB O=C(c1cccc2ncccc12)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166345 VGVUOMMBJMRKBJ-OALUTQOASA-N 360.432 4.925 0 40 FJAB COc1ccc(C(=O)CCc2cccc(C(F)(F)F)c2F)cc1OC 199728857 YVHWORDCJOBTEM-UHFFFAOYSA-N 356.315 4.677 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N1CCS[C@H](c2ccccc2)CC1 208040773 MFUXXGPODUYNHS-FQEVSTJZSA-N 364.470 4.662 0 40 FJAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222581340 UEOGBWMNZFOLTR-UYHISHBKSA-N 373.909 4.723 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCSC2CCCC2)cc(C)c1Cl 223657906 JJSGCUFKDXRQKQ-AWEZNQCLSA-N 355.931 4.516 0 40 FJAB S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccncc1 225343367 HKYAIFFKURWAHY-UHFFFAOYSA-N 372.346 4.608 0 40 FJAB CCCOC(C)(C)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225728641 GFPPGADFZQVCGW-UHFFFAOYSA-N 371.905 4.678 0 40 FJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2c(C)cccc2C)c1 225851908 KKQGOIROXPDGJI-ZHZULCJRSA-N 374.440 4.614 0 40 FJAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1C 226287876 LOEYHRZSXUNKJQ-UHFFFAOYSA-N 356.425 4.716 0 40 FJAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 227147840 MWJQCSXGSUPPCX-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB C[C@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C1CC(F)(F)C1 529541890 MMGJYTLDXBYUOP-ZDUSSCGKSA-N 362.395 4.853 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccnn3[C@H](C)C3CC3)C2)cc1 573631221 POWZJCHWNMFPIY-GPMSIDNRSA-N 352.482 4.572 0 40 FJAB CCc1csc(NC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)n1 581214067 BUCMHIKKEFSRQK-ZDUSSCGKSA-N 368.462 4.776 0 40 FJAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(C)c1 925348 YFEDVBVETGFEMS-UHFFFAOYSA-N 371.893 4.902 0 40 FJAB Cc1cccc(C)c1-n1c(-c2ccco2)nc2ccc(Cl)cc2c1=O 1506702 QVCHBGBQLTZEDA-UHFFFAOYSA-N 350.805 4.916 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cn1 3422822 DHWOJDFVHSOGHC-UHFFFAOYSA-N 367.455 4.681 0 40 FJAB CCCCNc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 3839890 YRUORLGMFQFMRZ-KSJRLTASSA-N 362.539 4.609 0 40 FJAB biogenic,in-vitro C[C@@H](Sc1nnc(NC(=O)CCc2ccccc2)s1)c1ccccc1 4088051 DZHWMSYOLLXQNY-CQSZACIVSA-N 369.515 4.963 0 40 FJAB CCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 4167335 FBTTWRXSRMEPPJ-UHFFFAOYSA-N 369.515 4.807 0 40 FJAB Cc1nn([C@H](C)c2ccccc2)c2c1[C@H](c1ccccc1)SCC(=O)N2 4671047 HYRNMHWKPGYXFR-QRWLVFNGSA-N 363.486 4.576 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 4880539 XBXPGPOCGXLMGG-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB COc1cc2nc(Nc3nc4c(F)cccc4s3)sc2cc1OC 5122893 XECUTHLYELDCAT-UHFFFAOYSA-N 361.423 4.806 0 40 FJAB Cc1ccc2c(CSc3nc(C)c(C)n3CC(C)C)cc(=O)oc2c1 5152049 MBEOJKQNEWOZKQ-UHFFFAOYSA-N 356.491 4.863 0 40 FJAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O 5156925 MZDCNBRYGUGHDD-SFHVURJKSA-N 361.489 4.911 0 40 FJAB O=C(Cc1ccc(F)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1 5268472 OWXOEWKJNSJTMJ-UHFFFAOYSA-N 355.221 4.923 0 40 FJAB Cc1ccc([C@H](CC(=O)Nc2nccs2)[C@@H]2CCOC(C)(C)C2)cc1 5346050 OKWHBDDJFRHMSN-SJORKVTESA-N 358.507 4.769 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1cccc(C(F)(F)F)c1 6377224 LKKPTOOIBDZWKS-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB CC(C)(C)c1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1 8566668 PMUXJMXMAWKXCL-UHFFFAOYSA-N 372.519 4.562 0 40 FJAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 9660035 UCIGCSBDWJECFS-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)c1ccco1 11214827 LDMDFNNAQRPIMJ-UHFFFAOYSA-N 358.756 4.577 0 40 FJAB COc1cc(C(=O)O)cc(Cl)c1OCc1c(Cl)cccc1Cl 11950017 DGMNWZNJLSVXNB-UHFFFAOYSA-N 361.608 4.933 0 40 FJAB Cc1nn([C@H](C)CC(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1C 12195985 OLZSULHEBMBACH-CYBMUJFWSA-N 364.493 4.758 0 40 FJAB COc1cc(-c2nc3cnccn3c2NC(C)(C)CC(C)(C)C)ccc1O 12480897 JFKHGIDWMDQGKN-UHFFFAOYSA-N 368.481 4.737 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC 12799809 KSNFUTIFSBQRTD-UHFFFAOYSA-N 373.758 4.807 0 40 FJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 12904510 KIQQOGAGVVLJHK-CQSZACIVSA-N 354.837 4.805 0 40 FJAB CCc1ccc(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1 13015401 WWWNLDOCYVDVGL-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3)C[C@@H]21 13036360 CVNMIRONZCQHJW-NZQKXSOJSA-N 371.440 4.723 0 40 FJAB CCc1ccccc1-n1c(S)nnc1COc1cccc2ccccc12 13535165 XHBFRNZCUCFZAW-UHFFFAOYSA-N 361.470 4.851 0 40 FJAB Cc1occc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)o1 14169768 DCIUTFANSKOFCV-VIFPVBQESA-N 360.420 4.603 0 40 FJAB O=c1nc(SCc2ccccc2Cl)c2c(n1C1CCCC1)CCC2 15840373 DHUJPIFUYHCSHT-UHFFFAOYSA-N 360.910 4.793 0 40 FJAB CC1([C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 17005563 OAWOATRDZLDNDV-ZIINTYDKSA-N 362.554 4.769 0 40 FJAB O=C(/C=C\c1ccccc1)NC(=S)Nc1cc(Cl)ccc1Cl 17041320 OONGOKHLXHLLSI-TWGQIWQCSA-N 351.258 4.520 0 40 FJAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 20039941 YNPVTJPCCZJABW-SFHVURJKSA-N 371.546 4.935 0 40 FJAB CN(C)CCNCC[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 20588734 PZBWXTCPMCQDAJ-QGZVFWFLSA-N 365.348 4.861 0 40 FJAB CCc1ccc2nc(NC(=O)COc3ccccc3C(C)C)sc2c1 28284493 XTACHXAKQNWUEP-UHFFFAOYSA-N 354.475 5.000 0 40 FJAB CN1CCc2ccccc2[C@H]1Cc1cc(OCc2ccccc2)ccc1N 31938933 GWIOQTCSMPBYMC-XMMPIXPASA-N 358.485 4.620 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38834318 YPECPTAEEFQRBL-QGZVFWFLSA-N 352.478 4.570 0 40 FJAB C[C@H](NC(=O)Nc1cc(F)ccc1F)c1cccc(Br)c1 40097405 AMXLIKMDDYXFGZ-VIFPVBQESA-N 355.182 4.610 0 40 FJAB O=C(Nc1cccs1)Nc1nc2c(Br)cccc2s1 42381216 WDJOEAIUXZPXDQ-UHFFFAOYSA-N 354.254 4.764 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838036 LBZFLEHMHHEOCP-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB Cc1[nH]c(=S)sc1CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 45931164 RDBQCDUNYXCIBC-QMMMGPOBSA-N 360.426 4.553 0 40 FJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc2[nH]ccc12 58168374 WFFNFXFJLXXUDD-UHFFFAOYSA-N 360.413 4.810 0 40 FJAB CCC(=O)Nc1cc(Cl)c2nc(-n3nc(C)cc3C)sc2c1Cl 72228991 FQLABSRBFAPEBQ-UHFFFAOYSA-N 369.277 4.754 0 40 FJAB O=C(Nc1cccc(OC2CCCC2)c1)N1CCO[C@@H](c2ccccc2)C1 76124700 HBLOEFZWJJUBGK-OAQYLSRUSA-N 366.461 4.613 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](Cc2ccccc2)SC1 80329867 CXOBLDXWOTVGAS-HNNXBMFYSA-N 357.479 4.713 0 40 FJAB Cc1ccccc1[C@H]1CC2=Nc3ncnn3[C@@H](c3ccc(F)cc3)C2=C(O)C1 102659063 RUPTYHZRLJPSTH-BTYIYWSLSA-N 374.419 4.791 0 40 FJAB Cc1ccccc1Cc1nc(CN2CC[C@H](C)C[C@H]2c2ccco2)no1 108354367 DJRCRRYHZOIBJS-YJBOKZPZSA-N 351.450 4.535 0 40 FJAB CC1(C)C[C@@H](NC(=O)COc2cccc3ccccc23)c2ccccc2O1 218913575 IRFJURUUBVJOMY-LJQANCHMSA-N 361.441 4.637 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)s2)cc1 222556942 FFNSCXQZAVJIAC-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)c1 224225163 CDTNKWCNBYWJGR-WOJBJXKFSA-N 362.502 4.512 0 40 FJAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224934359 FLZUMDJETODJAN-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB COc1ccc(Cl)cc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225121352 TXMBETFABWQJSS-LJQANCHMSA-N 356.805 4.577 0 40 FJAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cc2ccccc2nc1Cl 226797752 TVGQSNCLZYMZNZ-QGZVFWFLSA-N 355.850 4.647 0 40 FJAB S=C(NCc1ccco1)c1ccc(OCc2ccccc2Cl)cc1 408571290 AXOLJTLDZLDNFC-UHFFFAOYSA-N 357.862 4.977 0 40 FJAB O=C(Nc1ccccc1)[C@@H](NCCc1ccccc1)c1ccc(Cl)cc1 408734071 HZACNJDFTPQVEW-NRFANRHFSA-N 364.876 4.852 0 40 FJAB CC(C)Cn1c(SCCCc2ccccc2)nnc1-c1ccncc1 409093509 AHVBPHVQJUZZQG-UHFFFAOYSA-N 352.507 4.721 0 40 FJAB CCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 409323931 QFOTTXXWKYOKGK-QGOAFFKASA-N 369.442 4.725 0 40 FJAB O=C(CN[C@@H](c1ccccc1)c1cccc2ccccc12)N1CCCCC1 600616764 YXFBGJPBAMQQHN-DEOSSOPVSA-N 358.485 4.531 0 40 FJAB CCc1ccc([C@H]2CCCCCN2Cc2nc(O)c3ccccc3n2)o1 606899463 NGKMWNJYVZEUFL-GOSISDBHSA-N 351.450 4.608 0 40 FJAB CC1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1csc(-c2ccccc2Cl)n1 620435917 OJEIBPROGSBYQY-LQDVMPOASA-N 360.910 4.796 0 40 FJAB O=C(NCc1cccc2ccsc12)NC1CCC2(CC1)CC2(F)F 661349888 RWSLRTRPZKQWBF-UHFFFAOYSA-N 350.434 4.669 0 40 FJAB Cc1[nH]c2ccccc2c1C1CCN(C[C@@H](O)[C@@H](C)c2ccccc2)CC1 1307420899 SIPLIGUODNJBGL-GAJHUEQPSA-N 362.517 4.820 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 666517 KGIFQAVGESOBAC-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 840461 YBYRLPVXEJCIHI-NSHDSACASA-N 354.233 4.798 0 40 FJAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C)c1C 1055858 FNLBACXTUDNJOM-UHFFFAOYSA-N 353.443 4.947 0 40 FJAB Nc1c(C(=O)c2cccc(Cl)c2)sc2nc(-c3cccnc3)ccc12 1471926 CGLSFSBVISFNJU-UHFFFAOYSA-N 365.845 4.825 0 40 FJAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccc(Oc2ccccc2)cc1 1473161 OAJAJQSGTHDMAI-XDHUDOTRSA-N 373.452 4.907 0 40 FJAB Cc1ccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)cc1 2416869 DVDPNGGDRNWTAL-UHFFFAOYSA-N 360.461 4.770 0 40 FJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccc(Cl)cc2)cc1 2626250 HHPMMLLUYXLKSP-UHFFFAOYSA-N 370.905 4.939 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1 2723063 XCVQNJGABUQHHS-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nc2ccccc2s1 3259935 QALDSUUMXSXCTB-UHFFFAOYSA-N 361.850 4.851 0 40 FJAB COc1ccccc1NC(=S)NN(Cc1ccccc1)c1ccccc1 3343387 SYEFMDHGTPIENA-UHFFFAOYSA-N 363.486 4.603 0 40 FJAB COc1cc2ccccc2cc1C(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 3534439 GNBGAOXITXQBGA-GOSISDBHSA-N 374.484 4.508 0 40 FJAB Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(C)c3)n2)cc1 4167326 OENXWZPVOOXIHT-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4903151 HVHZSWAUXTZNQS-SFHVURJKSA-N 361.489 4.974 0 40 FJAB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3)C[C@H]21 5093215 CVNMIRONZCQHJW-OFNKIYASSA-N 371.440 4.723 0 40 FJAB COC(=O)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 5163187 ZAHDIJGCDUIGJX-UHFFFAOYSA-N 372.380 4.581 0 40 FJAB COc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 5333372 RDDRHPBRFYGTER-UHFFFAOYSA-N 355.438 4.720 0 40 FJAB Brc1cccc(Nc2ncc(-c3nc4ccccc4o3)cn2)c1 5395266 PJQUZBHENONZFE-UHFFFAOYSA-N 367.206 4.791 0 40 FJAB CC(C)(C)c1cc(NC(=O)/C=C/c2cccc(F)c2)n(-c2ccccc2)n1 5860667 WTPVCVUSCYAKRP-OUKQBFOZSA-N 363.436 4.961 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)c3cc(C)c(C)cc3C)o2)cc1 5862238 SDHKRAJABDRMIH-UHFFFAOYSA-N 352.459 4.945 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 6357495 LCSGJINTTWTWPJ-UHFFFAOYSA-N 366.505 4.597 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3o2)cc1 6650637 DPRGKRSNTPQUFF-UHFFFAOYSA-N 367.401 4.651 0 40 FJAB CC(C)Sc1nc2ccccc2n1Cc1nnc(-c2ccccc2)o1 6665243 ICBOQKLZNFIXHI-UHFFFAOYSA-N 350.447 4.635 0 40 FJAB O=C(NCc1ccccc1Cl)c1cc(Br)ccc1Cl 8034529 NPPWVFURWOWJPN-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB COc1cc(NC(=S)Nc2ccc(Cl)cc2)c(OC)cc1Cl 8106638 QJMMTLSBRRPOAU-UHFFFAOYSA-N 357.262 4.820 0 40 FJAB Cc1ccc2cc(CN(C(=O)C3CCCCC3)c3ccccc3)c(=O)[nH]c2c1 9463761 ZKLBSSWVQPXKHD-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)C1=C(c2ccccc2)SCCO1 12408177 VNCFFLUPHLZRNM-UHFFFAOYSA-N 365.376 4.776 0 40 FJAB CCc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12600808 KNSKLFUGJTUFLU-UHFFFAOYSA-N 366.490 4.507 0 40 FJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2)C(=O)c1ccccc1 13988228 NKLMJLXLTVJOCH-CVEARBPZSA-N 373.452 4.788 0 40 FJAB Clc1c(CSc2nnnn2C2CCCC2)sc2ccccc12 14094341 VFTVIYIIQLFUPX-UHFFFAOYSA-N 350.900 4.949 0 40 FJAB Cc1ccc2cccc(OCC(=O)N[C@@H](C)c3cc4ccccc4o3)c2n1 14339389 QUBCQDBNUODRBY-HNNXBMFYSA-N 360.413 4.546 0 40 FJAB Cc1ccccc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 14491506 FPOAQMJSTDMMER-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB Cc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3C)n2)cc1C 15829389 JLFUNIHRVSWMSP-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1cccs1 16091541 FOIIXUWBIWUKTC-ZDUSSCGKSA-N 362.303 4.581 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl 17075528 GCQKIPYDWHHMHF-UHFFFAOYSA-N 367.880 4.842 0 40 FJAB COc1ccccc1CN1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 19570419 HKGODNFOZAJXFL-MRXNPFEDSA-N 355.463 4.534 0 40 FJAB Cc1nn(C)cc1CN1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 19583835 KNHJGEQYBMRCAQ-HXUWFJFHSA-N 368.456 4.640 0 40 FJAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 20106348 XFIYAWSMLLMAJK-ZDUSSCGKSA-N 372.317 4.791 0 40 FJAB CCOc1c(Br)cc(Cl)cc1NC(=O)c1occc1C 22312563 GACGPUJMSRGWGI-UHFFFAOYSA-N 358.619 4.655 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1cccs1 27582746 OQDNYWOMAIGVMO-QGZVFWFLSA-N 362.926 4.749 0 40 FJAB Cc1ccnc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 27646924 IOWYUVXMKXSMNY-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB O=C(Nc1nc(-c2ccccc2)ns1)C(c1ccccc1)c1ccccc1 27793353 ZSCNAGMIYNTHNJ-UHFFFAOYSA-N 371.465 4.976 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1SCc1cn2ccccc2n1 28265726 WIIJISLRPXJDJQ-UHFFFAOYSA-N 359.454 4.879 0 40 FJAB CC(C)c1ccc(OCC(=O)N(C)C2CCCCC2)c(Br)c1 30756902 DVEQAJXLUGWQDD-UHFFFAOYSA-N 368.315 4.742 0 40 FJAB COc1ccc(CN(C(=O)c2cc3ccccc3cc2OC)C2CC2)cc1 32740913 VBNSMPHELWGGJA-UHFFFAOYSA-N 361.441 4.662 0 40 FJAB COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1 34648278 YYRUFECVWILGJZ-UHFFFAOYSA-N 365.473 4.757 0 40 FJAB in-vitro Fc1ccccc1CN(CCCn1ccnc1)Cc1cccc2ncccc12 43277834 CXAYWYPIOWSWIR-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1nccc2ccccc12 58419089 MVRVNGCJQHXUKA-UHFFFAOYSA-N 363.417 4.674 0 40 FJAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2ccccc2)no1 71078073 MGXBJUZWEKBHJC-NSHDSACASA-N 367.409 4.514 0 40 FJAB CC(C)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215403 JXJLCIGWNFFHQO-SFHVURJKSA-N 359.514 4.921 0 40 FJAB CC[C@H](C)C(=O)OC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78822769 GJJKYTBLENQIRA-YSVLISHTSA-N 357.416 4.678 0 40 FJAB COc1cc(C=O)c(Br)cc1OCc1ccc(F)cc1Cl 95094997 XQZGDPNWRNIVMW-UHFFFAOYSA-N 373.605 4.642 0 40 FJAB c1ccc2nc(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)ccc2c1 96194011 RFIVYAGQGYWMKK-UHFFFAOYSA-N 369.409 4.814 0 40 FJAB Clc1ccccc1CN1CCC[C@@]12CCCN(Cc1ccccc1)C2 96214649 KDUUEEJSPMAZLZ-JOCHJYFZSA-N 354.925 4.971 0 40 FJAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C 106701542 NSNFVQHWPJIXAL-SXGWCWSVSA-N 360.866 4.532 0 40 FJAB CC(C)(C)n1cc(C(=O)Nc2ccncc2)c(-c2ccccc2Cl)n1 108255366 AJZKXJQGMICRPB-UHFFFAOYSA-N 354.841 4.606 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C(C)C)cc1 218962687 KTVQJXAQRLYNNT-FQEVSTJZSA-N 367.489 4.916 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219580873 IAMVTAMWLHURMY-ZWKOTPCHSA-N 371.452 4.710 0 40 FJAB Cc1ccc(N2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 219860774 UIAFUPMGUSBBKH-UHFFFAOYSA-N 370.924 4.614 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(OC)c(C)c1 222816808 WVGXNVMDXYYQAB-ZWKOTPCHSA-N 359.441 4.568 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1cccc(C)c1 222951587 ZKHGCSMTPWOGOB-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1cccc(C)c1 224387434 QJIGEUTWMGJLKY-UHFFFAOYSA-N 367.489 4.989 0 40 FJAB CCCOCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OCC 224712242 XIEXPQMOVZBHJJ-HNNXBMFYSA-N 359.441 4.642 0 40 FJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccccc2)ccc1Cl 225281193 VAQYRJCINMYFSC-LBPRGKRZSA-N 362.882 4.564 0 40 FJAB S=C(Nc1ccc(Br)c(Cl)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225322171 YXWUIXAVLOELQX-JRKPZEMJSA-N 359.720 4.578 0 40 FJAB CC1(C)COc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2OC1 225360190 ALNAVTPXRPOBGX-UHFFFAOYSA-N 365.351 4.755 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 225807813 CIKJEEXUQMILNN-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NC1CCCCCC1 225827128 UDKXTNNVURFLHF-UHFFFAOYSA-N 363.461 4.661 0 40 FJAB O=C(Nc1ccc2c(n1)CCC2)N1CCC[C@@H]1c1nc2ccccc2s1 333669909 NOMJENNUOSQYKP-MRXNPFEDSA-N 364.474 4.549 0 40 FJAB O=C1S/C(=C/c2cc(Cl)ccc2O)C(=O)N1CCCc1ccccc1 409125327 CWNICXYZYWWAEN-SFQUDFHCSA-N 373.861 4.715 0 40 FJAB CCCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409229637 SDPPVFPFGJZRAP-ZROIWOOFSA-N 365.216 4.556 0 40 FJAB Cc1cccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1 409261711 CZJCWSGAVDOGLK-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB CCn1ccc2cc(C[C@@H]3CCCN(C(=O)c4ccsc4)CC3)cnc21 2037838721 YDDAKJPPUMPHKU-MRXNPFEDSA-N 367.518 4.603 0 40 FJAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc(Cl)cc1 818531 LDTAWKKMCWRSGC-UHFFFAOYSA-N 352.821 4.526 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(Br)cc2C)cc1 1172746 QYPDNYFBHYLHTR-RMKNXTFCSA-N 360.251 4.726 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1 1339955 DGOAHZPGHSFALC-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB CCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccccc2C)s1 1345278 OVPNNDUKHNVUIO-UHFFFAOYSA-N 351.475 4.879 0 40 FJAB CC[C@@H](Sc1ncnc2scc(-c3ccc(Cl)cc3)c12)C(=O)O 1930629 AKFZPPYDMOWNLB-GFCCVEGCSA-N 364.879 4.967 0 40 FJAB O=C(Nc1nnc(CSCc2ccccc2)s1)Nc1ccccc1F 2359171 OTOGEFASYXCLKE-UHFFFAOYSA-N 374.466 4.755 0 40 FJAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccccc1Cl 2580969 CWZVLSCPBKADAJ-HXUWFJFHSA-N 372.896 4.746 0 40 FJAB C[C@H]1CCCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1 2663346 MTEKYKFAWRSZLT-IQGVVSCOSA-N 371.484 4.811 0 40 FJAB COc1cccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120604 HLCPGZMKNKNRNG-DHIUTWEWSA-N 360.409 4.597 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1 3425111 BJYGFFQXBHYFFJ-KBVBDRTLSA-N 364.670 4.993 0 40 FJAB CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1 5021054 XMXRLUJUQRAKBI-UHFFFAOYSA-N 352.459 4.836 0 40 FJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1cccc(F)c1 5147337 ZFFUJKZNZXNYNQ-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB Cc1cc(SC(=O)c2ccccc2)nc(SC(=O)c2ccccc2)n1 5537558 RNJOCXHEDZLZMA-UHFFFAOYSA-N 366.467 4.650 0 40 FJAB CCCCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 6417572 GQRBFHYSIOVVEV-UHFFFAOYSA-N 367.946 4.724 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCCn2cccc2[C@@H]1c1ccccc1 6598159 PNKUNJLJEQQQAR-FQEVSTJZSA-N 350.849 4.777 0 40 FJAB CCOc1ccccc1NC(=O)Cc1csc(-c2cccc(C)c2)n1 7667420 CECAECHXJAOAOD-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 7935355 HCJQCJFEWVSLJY-NSHDSACASA-N 355.381 4.833 0 40 FJAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)cc1 9062600 HOCWFSORXUFROV-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c(C)c1 9196293 UXRDMPQZRWIHAZ-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB O=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 12363025 ZSHSTFSHLCTNSO-GXDHUFHOSA-N 365.772 4.791 0 40 FJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2ccccc2c1 15640963 GGOSYSUGMNTUJQ-UHFFFAOYSA-N 361.832 4.990 0 40 FJAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccncc2)cc1 17584246 CKKOHOCVTBSKEV-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1ccc(F)cc1F 18015756 YCMMTMGROARATL-CYBMUJFWSA-N 352.384 4.826 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20139185 ONKNTIDMSQCMDD-UHFFFAOYSA-N 373.408 4.853 0 40 FJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc(F)c1 20540703 VEDCNMDBHPQGNE-UHFFFAOYSA-N 372.831 4.985 0 40 FJAB S=C1N(c2ccccc2)CN(C2CCCCC2)CN1c1ccccc1 22267016 OBGKBRDYUAOJMP-UHFFFAOYSA-N 351.519 4.848 0 40 FJAB Cc1nc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc2o1 22699821 HRMYOUIGVIGYRI-UHFFFAOYSA-N 371.396 4.641 0 40 FJAB C=C1c2ccccc2NC(=O)N1C[C@H](c1c(F)cccc1Cl)N(C)C 25057282 ZAZNEOVGFDYXLM-QGZVFWFLSA-N 359.832 4.600 0 40 FJAB CSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30938033 OJLFISNVSAMYFH-MRXNPFEDSA-N 374.937 4.913 0 40 FJAB CCCOc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1OCCC 32736263 IKFDIQITMXTLRZ-UHFFFAOYSA-N 352.434 4.998 0 40 FJAB CCc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39772555 OUIIVKAOUCCULM-UHFFFAOYSA-N 356.897 4.753 0 40 FJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 44901139 SLCPGRNFTXSHKJ-IBGZPJMESA-N 371.546 4.737 0 40 FJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)cc(C)c1 49005533 BTEYHCQBXDJBIB-UHFFFAOYSA-N 362.477 4.781 0 40 FJAB Cc1cccc2c(=O)[nH]c(CN[C@@H](C)c3ccc(-c4ccccc4)cc3)nc12 49609494 PDJGMJGVHZJXAT-KRWDZBQOSA-N 369.468 4.749 0 40 FJAB Cc1nc(C)c([C@H](C)Nc2nc(-c3ccncc3)nc3ccccc23)s1 54837979 GYDBSGQKWSDHJU-ZDUSSCGKSA-N 361.474 4.938 0 40 FJAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72214427 YFKHCEBUNWUNAQ-IBGZPJMESA-N 367.493 4.790 0 40 FJAB O=C(CN1CCC[C@]2(CC=CCC2)C1)Nc1ccccc1SC(F)F 72284967 SCWYIWLNVOWWQX-LJQANCHMSA-N 366.477 4.762 0 40 FJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2c(Cl)cccc2s1 79190802 MEIZQZZEDORMJF-XJKSGUPXSA-N 362.926 4.549 0 40 FJAB biogenic COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 219515345 ZPXMDORSMWNHDW-XMSQKQJNSA-N 369.505 4.983 0 40 FJAB Cc1ccc(SCCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223669658 QBIQNMYWEYDDQB-UHFFFAOYSA-N 371.546 4.970 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccccc1 224153027 QNDOAGSPFOXNBM-SJORKVTESA-N 371.918 4.974 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCSc1ccc(Cl)cc1 225034802 YZGWIXFGXFQMNH-UHFFFAOYSA-N 356.274 4.524 0 40 FJAB Cc1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 225309328 ZXIRPOWDDGKFJT-UHFFFAOYSA-N 369.715 4.898 0 40 FJAB CC(C)NC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225437249 IIMYFAKYELFMHQ-UHFFFAOYSA-N 373.500 4.614 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225779619 AIKPELDFERKVKY-UHFFFAOYSA-N 374.815 4.724 0 40 FJAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(N)c1 226347862 JGLOIDDOJAKOCN-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408628668 ZSWKNZPULVVLCE-UHFFFAOYSA-N 372.424 4.977 0 40 FJAB COCCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 409094478 FECJXLHNGITZTN-UHFFFAOYSA-N 373.909 4.846 0 40 FJAB CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCc2c(C)noc2C)cc1 585084627 STSGDBVJBYHOLM-QFIPXVFZSA-N 365.477 4.849 0 40 FJAB O[C@]1(COc2ccc(Cl)c(Cl)c2)CCCN(C2CCCC2)CC1 585281689 PDSHDCDBPSQWDJ-GOSISDBHSA-N 358.309 4.532 0 40 FJAB c1ccc2c(CN3CC(n4c(C5CC5)nc5ccccc54)C3)ccnc2c1 1775973760 FKHNTRNZVJIEBT-UHFFFAOYSA-N 354.457 4.519 0 40 FJAB O=C(C1CC1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1337741 LKIZBKNQDHSWOI-UHFFFAOYSA-N 367.518 4.854 0 40 FJAB Cc1cc(C)c(S(=O)(=O)c2cc(Cl)ccc2C)c(OCC(C)C)n1 1382137 DNWINVWYMJCDMJ-UHFFFAOYSA-N 367.898 4.528 0 40 FJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NC3CCCCC3)sc2n1 1431201 LLMHLDIFCDTJOQ-UHFFFAOYSA-N 353.491 4.766 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1913944 HPPHYGNPJLLZLX-UHFFFAOYSA-N 369.461 4.668 0 40 FJAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccncc1 2628332 QWESUZADIXBZOL-UHFFFAOYSA-N 374.469 4.818 0 40 FJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Cl)cc1 4033087 STSWBSNXRFXNRO-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1 4543422 QBJTWTNCIJQMQL-UHFFFAOYSA-N 356.429 4.544 0 40 FJAB Oc1ccc2ccccc2c1-c1nc2ncccn2c1Nc1ccccc1 4734136 BOPCXBJVQHBIGA-UHFFFAOYSA-N 352.397 4.999 0 40 FJAB CC(C)CN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1Cl)C2 4886537 ODLCYGHWFZPPJW-MQVJKMGUSA-N 365.974 4.668 0 40 FJAB COc1cccc(-n2c(/C=C/c3ccc(C)cc3)nc3ccccc3c2=O)c1 4898631 YCQYELZLCZVDIH-CCEZHUSRSA-N 368.436 4.873 0 40 FJAB CCOc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 5268465 GYSDNGPWRATQBV-UHFFFAOYSA-N 359.520 4.972 0 40 FJAB CCN(CC)CCCNCC[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1 5347782 WIXKOACSCLQHFO-DHIUTWEWSA-N 374.613 4.995 0 40 FJAB Cc1nc2nc(SCc3ccccc3Cl)[nH]c2cc1Br 5453562 AIIXGSRGVFKNAF-UHFFFAOYSA-N 368.687 4.975 0 40 FJAB C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12 5979574 ONWMGDQLQXNODU-NSHDSACASA-N 361.319 4.615 0 40 FJAB COc1ccc(CNC(=O)[C@H](C)Sc2c(Cl)cccc2Cl)cc1 6000304 LKVAVMQSFPHXKB-NSHDSACASA-N 370.301 4.799 0 40 FJAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1C(C)C 6324919 NLQBNACQCOQBHM-KLPPEWMLSA-N 371.550 4.766 0 40 FJAB O=c1cc(CSc2cccc(C(F)(F)F)c2)c2ccc(O)cc2o1 7910570 BDQDFVTVRAWXIA-UHFFFAOYSA-N 352.333 4.810 0 40 FJAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 7929395 NSSROZRRTVHVPS-CQSZACIVSA-N 371.864 4.596 0 40 FJAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(Cl)cc1 8133061 ZRPJCUCXZVHLOF-INIZCTEOSA-N 371.893 4.725 0 40 FJAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1Cc1ccccc1 8813118 OKHOQGQIBQNWDX-UHFFFAOYSA-N 356.878 4.937 0 40 FJAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCc2ccccc21 9157540 YSJVNMHEINBUTM-CQSZACIVSA-N 373.481 4.775 0 40 FJAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(O)cc2)cc1 9421876 SGIZEHYUEHBVJK-HXUWFJFHSA-N 362.454 4.885 0 40 FJAB Cc1oc(-c2ccccc2)nc1Cn1cc(C(F)(F)F)cc(Cl)c1=O 12238329 SIQCTOZDRKRIKY-UHFFFAOYSA-N 368.742 4.532 0 40 FJAB CCOc1ccc(CN(C)C(=O)c2csc(-c3cccs3)n2)cc1 12775300 FWPBWTCOPVXIQR-UHFFFAOYSA-N 358.488 4.543 0 40 FJAB CSc1nc(C)c(CCC(=O)Nc2c(C)cccc2C(C)C)c(C)n1 12994981 JKGNSRYBRVAKAC-UHFFFAOYSA-N 357.523 4.818 0 40 FJAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 16410159 MVTPHWJGZAHNJF-OQLLNIDSSA-N 370.836 4.601 0 40 FJAB C[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 17849375 NEBNHSGZYBDFOX-QGZVFWFLSA-N 367.452 4.830 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2F)no1 18210309 YBSHNRYFYVEPAB-UHFFFAOYSA-N 366.270 4.632 0 40 FJAB COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c(OC)c1 19240235 UVSMMHZHVKDJLC-QGZVFWFLSA-N 374.531 4.604 0 40 FJAB Fc1ccc(CN2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc1F 19344781 RBJYZYMQUGBGCK-HNNXBMFYSA-N 361.417 4.804 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 20492583 VIFHCFQHTHFTSY-JOCHJYFZSA-N 369.505 4.689 0 40 FJAB C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 22621912 SQYQHJROCNPGOA-VIFPVBQESA-N 362.273 4.610 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2C)cc1 27027424 MQPUYYSRHMWGRK-UHFFFAOYSA-N 368.502 4.576 0 40 FJAB Cc1cccc(Cn2cc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)c1 28574456 GXMWHZWIMOUMNK-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(C)cc1 30869485 HDQUXLFUCZJJSP-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB O=C(CSCc1csc(-c2ccsc2)n1)Nc1cccc(F)c1 32779130 SXDJXBGEKWRCPP-UHFFFAOYSA-N 364.492 4.883 0 40 FJAB CC[C@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccccc1 32924788 PJVCRMGZAGWZOU-FQEVSTJZSA-N 364.420 4.823 0 40 FJAB CC(C)CCNC(=O)c1ccccc1CSc1nc2ccccc2o1 32999417 KUEGGEPOXKWKFM-UHFFFAOYSA-N 354.475 4.896 0 40 FJAB C[C@H]1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)c2ccccc2S1 33162989 LDCMKYHFAZFKNE-AWEZNQCLSA-N 373.522 4.607 0 40 FJAB Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(Br)cc1)C=CO2 33321256 QYPHKVMMEGFNPJ-UHFFFAOYSA-N 356.219 4.686 0 40 FJAB O=C1Nc2ccccc2/C1=C/c1cc(OC(F)F)ccc1Br 33722240 CKGIOXSFVBYCSE-WQLSENKSSA-N 366.161 4.543 0 40 FJAB C[C@H](SCc1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 40067438 OHPIVRBEPLBUEY-LBPRGKRZSA-N 373.865 4.650 0 40 FJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc(F)cc(F)c2)s1 43277880 VRSSHANGCURSTQ-UHFFFAOYSA-N 361.461 4.624 0 40 FJAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(N)=S 45887755 JYTZPTPLZPRZDL-UHFFFAOYSA-N 352.246 4.766 0 40 FJAB CO[C@H](CNCc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 60528270 GRNUXKHCIGDUDV-OAQYLSRUSA-N 369.896 4.620 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccnc2)n(-c2ccccc2)n1 64472828 XSUCYPONDGDOAL-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB O=C(c1cnc2ccccc2c1NCc1cccs1)N1CCCCC1 72328455 OWYLQGRELYYXCB-UHFFFAOYSA-N 351.475 4.535 0 40 FJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)cc1 72329001 MNUBRNPTIXHDTH-INIZCTEOSA-N 363.461 4.747 0 40 FJAB C[C@@H]1CN(c2ccccc2NC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 89936883 HXJRFFJTSCMKCT-IAGOWNOFSA-N 360.457 4.706 0 40 FJAB C[S@](=O)c1ccc(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 91377282 OPZPPYUQQSQXAT-FDDCHVKYSA-N 368.329 4.972 0 40 FJAB CCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N/c1ccccc1 105756303 VQCSRXLZQCUQGR-QZQOTICOSA-N 352.459 4.630 0 40 FJAB CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1SC 223439186 SCFGCNMSWRYKSH-UHFFFAOYSA-N 359.925 4.585 0 40 FJAB O=C(NCCOc1ccc2ccccc2c1)C1(c2ccccc2)CCCC1 223643145 AFQQQNPNPVKZFT-UHFFFAOYSA-N 359.469 4.847 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COCc2ccccc2)c1 224752153 UZBGVGHXTBWTMZ-QGZVFWFLSA-N 355.478 4.721 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC)c2ccc(C)cc2)c1 225484812 YRCCDIIEMDWBBI-GOSISDBHSA-N 370.518 4.918 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225574455 TXTINNDQCTVNJM-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(C)cc1 408564100 XRSCRERLAAZAFF-DQRAZIAOSA-N 350.487 4.848 0 40 FJAB Cc1ccc(Cl)c(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 1621629013 GSDCZNJEAIQZLT-ZDUSSCGKSA-N 363.866 4.776 0 40 FJAB Cc1cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2c2ccccc12 1221471 XJQYMNINPLFCOW-UHFFFAOYSA-N 367.861 4.819 0 40 FJAB O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 2073503 MSWCMUXMTSLRCA-UHFFFAOYSA-N 364.832 4.522 0 40 FJAB CCCCc1c(C)nc2ccc(Br)cc2c1SCC(=O)O 2285543 UNILYPMGIAVTEZ-UHFFFAOYSA-N 368.296 4.825 0 40 FJAB CCCOc1ccc([C@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 2294686 MAZZASHVOPNVPI-PKTZIBPZSA-N 353.506 4.779 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc(C)c1C 2624354 DWZXXOCPVYDEIO-NSHDSACASA-N 370.305 4.828 0 40 FJAB CCn1nc(C)c2c(C(=O)OC)cc(-c3ccc(Cl)cc3Cl)nc21 2732690 UCQRNMFFMRIQHS-UHFFFAOYSA-N 364.232 4.520 0 40 FJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc21 4649731 ZXUAUQXJCYKBDV-UHFFFAOYSA-N 366.273 4.611 0 40 FJAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4672119 DNXDLUMYUYPPCF-KWJFTMPMSA-N 368.496 4.879 0 40 FJAB CSc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 5299163 QBTLFVMJVNDJPG-UHFFFAOYSA-N 357.485 4.880 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 6284136 QWSQLRHGUWSDRN-UHFFFAOYSA-N 352.261 4.510 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1OCC 6552439 GQEFQLKRRIHOKH-UHFFFAOYSA-N 356.447 4.654 0 40 FJAB Cc1ccc(NC(=S)Nc2cccc(Cn3nc(C)cc3C)c2)c(C)c1 6964886 WOGGNBBBLLYWFP-UHFFFAOYSA-N 364.518 4.974 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)c(C)c1 7918247 XVWDTJKTPPPWMY-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)oc2c1 8612247 CNFBWCDUZXDPJS-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1cccc(F)c1 9107468 LSYNXJOZVRBNIL-UHFFFAOYSA-N 374.415 4.557 0 40 FJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)cc1 10252258 XQSUORHDXUBUIA-UHFFFAOYSA-N 370.499 4.722 0 40 FJAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 10367605 SXEDNJOEUVOGDT-UHFFFAOYSA-N 364.489 4.617 0 40 FJAB O=C([C@@H]1Cc2ccccc2S1)N1CC=C(c2c[nH]c3ccccc23)CC1 11076138 IPLKAYZJLKPFGL-NRFANRHFSA-N 360.482 4.501 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 12999008 CAJCYJVYRLAIRS-OAHLLOKOSA-N 367.420 4.904 0 40 FJAB COc1ccc2oc(C(=O)OCc3nc4ccccc4s3)c(C)c2c1 13011951 FDSYTHSNMYGTCL-UHFFFAOYSA-N 353.399 4.717 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@]1(CCC[C@H](C)C1)O3 13689349 JXRQKIJTOOYLDC-WHEQGISXSA-N 354.446 4.968 0 40 FJAB COc1ccc(CN(C)C(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 13845154 AHSIGWMGEUSSSR-HAVVHWLPSA-N 357.453 4.894 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 14002913 MPBUEDNTJFXNKQ-UHFFFAOYSA-N 370.880 4.537 0 40 FJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 15544859 XSPFFITYVZEAKO-KRWDZBQOSA-N 362.473 4.616 0 40 FJAB O[C@@H](CNCc1ccccc1OCc1ccccc1Cl)c1ccccc1 16477553 MCUIDBVFNHZYAR-NRFANRHFSA-N 367.876 4.742 0 40 FJAB FC(F)(F)c1cc(SCc2ccncc2)nc2cc3c(cc12)OCO3 16546120 GJSRJEJHNOFQHD-UHFFFAOYSA-N 364.348 4.670 0 40 FJAB Cc1cccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)c1C 18144576 GNCUIMOLCCIXAX-RCCKNPSSSA-N 368.436 4.943 0 40 FJAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3csc(C(C)C)c3)n2)c1 19235538 IQHBMCJWLXZKAL-CYBMUJFWSA-N 355.463 4.721 0 40 FJAB Cc1c(-c2ccccc2)[nH]c2ccc(CN3C(=O)c4ccccc4C3=O)cc12 28297195 PIWSHRPORXWSKZ-UHFFFAOYSA-N 366.420 4.940 0 40 FJAB C[C@H]1CC(=O)c2c(OC(=O)Cc3c[nH]c4ccccc34)ccc(Cl)c21 32010828 UQBMXLUHHAOCDP-NSHDSACASA-N 353.805 4.659 0 40 FJAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc2c(s1)CCCCC2 32468046 DOCRBXNZVYXUTP-UHFFFAOYSA-N 351.475 4.514 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)CCn3cnc4ccccc43)ccc2o1 33215790 BLOFYCIWRCDVSS-UHFFFAOYSA-N 362.433 4.504 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(OC)c1 38757166 SLXHNXRMSWAXFR-QGZVFWFLSA-N 365.882 4.867 0 40 FJAB CCOc1ccc([C@H]2CCCN2C(=O)c2nc(Cl)ccc2Cl)cc1 40009912 BCBMDIOYGHOECV-OAHLLOKOSA-N 365.260 4.764 0 40 FJAB Cc1ccnc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 40039978 LXAIJLWBEODXJV-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCC[C@@H]1c1cccs1 40051870 YACBPGIDGRZDLN-MRXNPFEDSA-N 369.515 4.594 0 40 FJAB Cc1cc2oc(=O)cc(CN[C@H]3CCCc4ccccc43)c2cc1Cl 40460166 CPABZUTWTOTHEZ-IBGZPJMESA-N 353.849 4.922 0 40 FJAB O=C(OCc1csc(C2CCCCC2)n1)c1ccc(NC2CC2)nc1 63989598 IKUSADJWFWCJSP-UHFFFAOYSA-N 357.479 4.517 0 40 FJAB Brc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 64438527 HXQBGDMODXMHOM-UHFFFAOYSA-N 370.250 4.785 0 40 FJAB Fc1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1 72358513 WGKFGWPNSKUWLL-FQEVSTJZSA-N 361.464 4.705 0 40 FJAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2Cc2ccccc2)n1 72376750 FNXSINYEJKJKHM-FQEVSTJZSA-N 362.452 4.592 0 40 FJAB C[C@H](c1ccccn1)N(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 108383328 USJKLQSKRAAARS-WKRCXCSHSA-N 363.505 4.678 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219072259 ALFQQGDPVGZEHR-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(C)cc2)c2ccccc2O1 223649606 IWIYAHHWLSHZGI-LJQANCHMSA-N 353.462 4.573 0 40 FJAB S=C(Nc1ncc(Br)cc1Cl)NC1CCCCCC1 224039816 CFPYNENNVRDKJT-UHFFFAOYSA-N 362.724 4.507 0 40 FJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccccc2Cl)CC1 224532484 HEVMLTVGKRSBKS-QGZVFWFLSA-N 364.961 4.885 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Sc3ccc(C)cc3)ccc21 225077297 ZEBXWFWLPDJFMM-ZDUSSCGKSA-N 372.515 4.511 0 40 FJAB COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1OC 225934592 NGXOYUMKGNIULP-UHFFFAOYSA-N 361.441 4.649 0 40 FJAB CCc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1 226269652 RTDKSVUGTIYEFP-UHFFFAOYSA-N 362.351 4.891 0 40 FJAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)C(C)C 408629136 ZXRXXZHULDNBGN-UHFFFAOYSA-N 369.515 4.741 0 40 FJAB O=C(O)c1oc2ccccc2c1CN1CCC(c2c[nH]c3ccccc23)CC1 571929065 FHRXTDOPBLRWDY-UHFFFAOYSA-N 374.440 4.992 0 40 FJAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc(CN2CCCC2)c1 574372697 IPLDGYMGSYMGSA-UHFFFAOYSA-N 373.456 4.722 0 40 FJAB CC(C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105689 CWTAZKDFDSBPNK-UHFFFAOYSA-N 353.437 4.544 0 40 FJAB O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1ccc(Cl)s1 1611640717 QBXSLAOJBUHZMP-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 639048 HUJUJXWEWDBMDN-HNNXBMFYSA-N 362.425 4.630 0 40 FJAB CC(C)Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccncc1 664281 SGBZGBSLJLAKEJ-UHFFFAOYSA-N 358.898 4.942 0 40 FJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)NCc1ccccc1 924381 VDXOLAUTGZFGQU-UHFFFAOYSA-N 350.487 4.569 0 40 FJAB Cc1c(C(C)(C(=O)O)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 1691943 CANPWEDIBSJJLW-UHFFFAOYSA-N 360.457 4.677 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1cc(Br)ccc1Cl 3431243 MKRPPSWDRWVERJ-GFCCVEGCSA-N 366.686 4.854 0 40 FJAB Cc1ccc(C)c(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)c1 4496853 BMZWXOPWDSVLQC-UHFFFAOYSA-N 371.437 4.613 0 40 FJAB O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1 5079562 WXNKZFXFEBURTR-UHFFFAOYSA-N 362.212 4.777 0 40 FJAB Cc1ccc(-c2c(C)nn3c(NCCc4ccccc4)cc(C)nc23)cc1 5243380 SKYYVIAKGNSFKA-UHFFFAOYSA-N 356.473 4.976 0 40 FJAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1 5628997 YLFRKMBKAQBWPI-JTQLQIEISA-N 366.364 4.966 0 40 FJAB CCN(CC)c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 6241733 IREHQEVXRXSDMW-UHFFFAOYSA-N 355.511 4.747 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 6406479 SEYLWHUGHVHFQZ-UHFFFAOYSA-N 356.809 4.776 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(OC)c1 6872847 CRFFVEROTIZWCB-IRXDYDNUSA-N 354.494 4.668 0 40 FJAB Cn1c(Cc2cccs2)nnc1SCc1cccc2ccccc12 7191757 AYTDHUBZWJFUDK-UHFFFAOYSA-N 351.500 4.913 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 9137075 CDHQIWLXSJKDDC-UHFFFAOYSA-N 356.853 4.672 0 40 FJAB CC(=O)c1ccccc1OCCSc1nnc(Nc2ccccc2)s1 9378821 IYYNNULUAWIEQN-UHFFFAOYSA-N 371.487 4.655 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10336948 YJLUPJVWRVJCHM-UHFFFAOYSA-N 366.505 4.694 0 40 FJAB Cc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1C 11565715 GRHPEWLYLIBTQS-AWEZNQCLSA-N 367.832 4.933 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)COc1cc(Cl)ccc1Cl 12748698 NXAHRXQOOCYJIC-CQSZACIVSA-N 370.301 4.970 0 40 FJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C 12754692 NELLXEMRLPPGJR-SJORKVTESA-N 365.473 4.558 0 40 FJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(Cl)cc1Cl 13000579 FMNJSYZULKDAHE-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB Cc1cc(-c2cc(C(=O)N3CCCC3)c3cnn(C(C)C)c3n2)c(C)s1 14093310 JFTXGIWWYCAYAS-UHFFFAOYSA-N 368.506 4.594 0 40 FJAB Cc1ccc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)cc1C 19960745 CVHRYDPVYPASDO-UHFFFAOYSA-N 355.485 4.987 0 40 FJAB O=C(CSc1ccccc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151179 PYWMHWJLMQLBLU-UHFFFAOYSA-N 373.861 4.823 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 20528694 WVIHBSRXOOTJJA-INIZCTEOSA-N 369.461 4.783 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1cccc(Cl)c1 21787143 CFUGKVWFMDXKHE-LJQANCHMSA-N 367.880 4.812 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)NC1CCCCCCC1 22690294 RVRCOOWXZZMKSZ-UHFFFAOYSA-N 356.466 4.713 0 40 FJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC=CCC1 23532106 QRWBYSKUGDUGJB-ZDUSSCGKSA-N 369.292 4.527 0 40 FJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCO[C@H](c2ccccc2)C1 23896980 BOEBVSWQFTZEEI-FQEVSTJZSA-N 367.832 4.814 0 40 FJAB CN(C)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 32781464 KLARKTHTFTVZIA-IBGZPJMESA-N 368.527 4.664 0 40 FJAB FC(F)(F)c1cccc(CSc2nnc(Cc3ccccc3)o2)c1 35586253 GKUUNSMZXNDZFI-UHFFFAOYSA-N 350.365 4.972 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1oc2c(c1C)C(=O)CCC2 40128771 QDMGGLJBYCPISY-UHFFFAOYSA-N 355.434 4.665 0 40 FJAB CCC(C)(C)c1ccc(OCCC2CCNCC2)c(Br)c1 42770977 MBQACVJKQOUPFG-UHFFFAOYSA-N 354.332 4.905 0 40 FJAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c1 46012652 GTGYXVGXUBYXGX-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CCc1sc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cc1C 60102324 IYRYTHMLPMDEPE-UHFFFAOYSA-N 370.396 4.848 0 40 FJAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1 65514532 HMQVQXROVNTBMV-UHFFFAOYSA-N 374.440 4.597 0 40 FJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4c(C)noc4C)cc3)o2)c1 84213228 KSBJZWHYWYMUJO-UHFFFAOYSA-N 374.400 4.569 0 40 FJAB CC(C)c1nnc(C2CCN(Cc3csc(-c4ccccc4)n3)CC2)o1 85470719 VJWBSMYZDDOWCO-UHFFFAOYSA-N 368.506 4.696 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccccc1Br 89212734 RLNWRDKVJSXXPP-CYBMUJFWSA-N 369.303 4.651 0 40 FJAB C[C@H](NC(=O)c1ccc(SCc2cccnc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 107332351 CJERMKYJHYIZFM-UGJIMAENSA-N 366.530 4.928 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219301707 NGUYFWYRFFHWNU-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 219518665 ZZVCDPWRIONMMS-PXNSSMCTSA-N 367.489 4.798 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)C2(c3ccccc3)CCCC2)cc1 225183457 QFTCPACWDYAGTO-UHFFFAOYSA-N 365.517 4.991 0 40 FJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225904374 MPRKTIYXSFYRIZ-NRFANRHFSA-N 358.482 4.803 0 40 FJAB Clc1ccccc1N1CC[C@H](c2nc(-c3cccc4[nH]ccc34)no2)C1 555004901 BPCOBMCJNXSZEU-ZDUSSCGKSA-N 364.836 4.865 0 40 FJAB CC1=C(c2ccco2)CN(C(=O)c2ccccc2OCc2cccnc2)CC1 585080049 QHGLBIRRRLYSOZ-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB C[C@@H](c1ccccc1)[C@H](O)CN1CCC(c2ccnc3ccccc23)CC1 1645732885 OUHZAGFWWHYYQG-MHECFPHRSA-N 360.501 4.579 0 40 FJAB O=C(Oc1ccc(Br)cc1Br)C1CCCCC1 643154 JWRUGLGCDGGPSL-UHFFFAOYSA-N 362.061 4.697 0 40 FJAB CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3F)s2)o1 818352 QQKCLQFUBMMFAQ-UHFFFAOYSA-N 358.438 4.600 0 40 FJAB CCCCC[C@H](C)NCCOC(=O)C(c1ccccc1)c1ccccc1 1710586 VVSTZAZDPBEQSC-IBGZPJMESA-N 353.506 4.920 0 40 FJAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2cccs2)N1c1ccccc1 1775399 GYXIFYUQWFAAFN-NRFANRHFSA-N 361.470 4.984 0 40 FJAB Cc1cccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c1 2741732 DKMLQKGDTUOFFY-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CC[C@H]1C 2742441 QSGHGWNCHVRISC-CYBMUJFWSA-N 350.393 4.771 0 40 FJAB COc1ccccc1-c1cn2nc(COc3ccccc3)n3c2c1CCCC3 3282494 BGCBJYICVWPDGP-UHFFFAOYSA-N 373.456 4.727 0 40 FJAB Cc1cc(Br)ccc1NC(=O)c1cccc(OC(F)F)c1 3333684 ARFXGVKOFDQXKI-UHFFFAOYSA-N 356.166 4.611 0 40 FJAB CCCCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1 4061490 RGCDVUMUGCNEQV-UHFFFAOYSA-N 350.462 4.596 0 40 FJAB CC(C)(C)c1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)cc1 4329837 RRGYATJZCQVQFU-OAQYLSRUSA-N 374.488 4.818 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)cc1 4767636 PCRYYOVSUSBQSA-CQSZACIVSA-N 371.502 4.763 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854348 IUIPYSHIQAFZSG-IBGZPJMESA-N 369.827 4.918 0 40 FJAB COc1cccc(C(=S)N2CCCCC2)c1OCc1ccc(F)cc1 5746345 RPFZXHILIZHMRB-UHFFFAOYSA-N 359.466 4.575 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 5861826 GZSZAUKNPQJEQH-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB CN(C)c1cccc(-c2nnc(S)n2-c2ccc(Cl)c(Cl)c2)c1 6475674 WUTQKCIUUNWCSJ-UHFFFAOYSA-N 365.289 4.596 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2c(Cl)cccc23)c1 8023745 PJRBAVHSBAOYNV-VQIMIIECSA-N 358.894 4.891 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1 8092233 BGYCZEVYAYSEAT-UHFFFAOYSA-N 358.608 4.686 0 40 FJAB CCOc1cc2c(cc1CNCc1ccc(C(F)(F)F)cc1)O[C@@H](C)C2 8402990 QKINWPVWWBGEGI-ZDUSSCGKSA-N 365.395 4.717 0 40 FJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCCC3)cc21 8959950 ATZOOIBTPXRBCS-UHFFFAOYSA-N 372.509 4.613 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C 9063652 WWXHSUQHYUMVIV-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CCCc2ccccc21 10535858 VGKVONHPRLCABX-LBPRGKRZSA-N 366.408 4.560 0 40 FJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)O[C@H](C)C2 12589268 IQTSUDXAIIIGKU-OLZOCXBDSA-N 374.868 4.501 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc12 12758932 AXKZCKAWEGGPAK-JKSUJKDBSA-N 359.539 4.715 0 40 FJAB COc1ccc(-c2nc(C)c(C(=O)N(C)C3CCCCC3)s2)cc1OC 14136207 OFIORESPTIUIEO-UHFFFAOYSA-N 374.506 4.540 0 40 FJAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1C 15009198 YEHHKUCMMDVJOQ-LICLKQGHSA-N 373.861 4.894 0 40 FJAB Cc1c(C(=O)NC2CCCCCC2)sc2nc(-c3ccccc3)cn12 16992630 TVFVWXBSKIQSCB-UHFFFAOYSA-N 353.491 4.824 0 40 FJAB O=C1[C@H](C2CCN(Cc3ccccc3)CC2)CC=CCN1Cc1ccccc1 19695961 XWZQZZKOELBRBO-DEOSSOPVSA-N 374.528 4.504 0 40 FJAB CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1cc(N)ccc1OC 19736743 IBYZDFDXENTZJI-KSSFIOAISA-N 356.466 4.587 0 40 FJAB O=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 20457533 OUQKOPNAAHKYBZ-UHFFFAOYSA-N 359.740 4.690 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1 20720324 WMLHJBFATNEFJA-UHFFFAOYSA-N 373.412 4.929 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4ccccc4s3)s2)o1 31226205 DXEMTASRDDYGIT-UHFFFAOYSA-N 355.444 4.882 0 40 FJAB CC(C)CCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182136 OSXDPLPZGNSRPO-UHFFFAOYSA-N 365.502 4.577 0 40 FJAB CCOC(=O)c1cc2cc(NC(=O)c3c(F)cccc3F)ccc2s1 40082311 HGDQOAKTWKOQTC-UHFFFAOYSA-N 361.369 4.609 0 40 FJAB COc1ccccc1CN(C)C(=O)c1ccccc1CCc1ccccc1 44845430 ZDCDQKSXFYHAGQ-UHFFFAOYSA-N 359.469 4.753 0 40 FJAB Cc1cc2cc(NC(=O)c3cccnc3SCC(F)(F)F)ccc2[nH]1 46864644 INHFVXSJDIQIHK-UHFFFAOYSA-N 365.380 4.778 0 40 FJAB CC(C)c1nnc(C2CCN(Cc3ccc(Cl)cc3Cl)CC2)o1 49377260 MWILSHUVFLKULK-UHFFFAOYSA-N 354.281 4.879 0 40 FJAB O=C(CSCc1cccnc1)N[C@@H](c1ccccc1)C1CCCCC1 58157610 BSVIVPHFKKTSFW-NRFANRHFSA-N 354.519 4.753 0 40 FJAB O=c1c2sc(-c3ccccc3)cc2ncn1Cc1ccc(Cl)s1 69564167 QLBHPHLKXHGGDL-UHFFFAOYSA-N 358.875 4.888 0 40 FJAB O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1cccc(O)c1 96759307 RDMCJCNBYCUKNZ-WJDWOHSUSA-N 372.449 4.775 0 40 FJAB O=C1C=C/C(=N\Nc2c(Cl)cc(Cl)cc2Cl)c2ncccc21 107530965 CTRZHXTVAVFQRU-UDWIEESQSA-N 352.608 4.611 0 40 FJAB CCOc1ccccc1NC(=O)N1CCS[C@H](c2ccccc2F)CC1 219141250 MENKXOSKVQUJGW-IBGZPJMESA-N 374.481 4.937 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(F)cc1)CC(C)(C)O2 219262345 SVHHDUJMBXZUSU-SFHVURJKSA-N 373.493 4.786 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1Br 222946275 DVZAHAPZQZUHHI-INIZCTEOSA-N 362.267 4.862 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)oc12 224097295 CMBDORXSIPHMKD-UHFFFAOYSA-N 358.397 4.680 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1cc(C)cc(C)c1 224189816 MZTVAVQDXVLSNL-UHFFFAOYSA-N 353.462 4.563 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)c1 224223163 PBPBWOYYAXRRBJ-MSOLQXFVSA-N 351.500 4.629 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)s2)cc1 225044997 SIKREJJLGMSGDP-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)CCSc3ccccc3)ccc21 225132229 WLLOGEGRLSFTEO-UHFFFAOYSA-N 372.515 4.765 0 40 FJAB Cc1cccc(CSCCNC(=S)Nc2cccc(Cl)c2)c1 225336466 GRPMDUGCIQLKKN-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225691022 ZYQQDMSGEYAWOW-AUUYWEPGSA-N 371.905 4.534 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1C 225761076 WVSQFSUUFXDTKV-IBGZPJMESA-N 370.518 4.774 0 40 FJAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc(Cl)c3)oc12 226270686 YAPFXAFOFQPEBQ-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccc(F)c1 408563767 XDUDLXAPIACFPE-QOCHGBHMSA-N 358.413 4.564 0 40 FJAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 408923225 GJTIFHQZNAOYBF-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB COCCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 409102339 YXCGKHZPVSZGFO-UHFFFAOYSA-N 373.909 4.846 0 40 FJAB Fc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)cc1 409102995 CGQHUYBMDHTYMN-UHFFFAOYSA-N 362.433 4.543 0 40 FJAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccc(Cl)c(C)c1 1775971266 LWLXEACZPSARHF-UHFFFAOYSA-N 368.882 4.857 0 40 FJAB FC(F)(F)Oc1ccccc1OCOc1ccccc1OC(F)(F)F 2362803784 KXMVVAIRCJLBSP-UHFFFAOYSA-N 368.229 4.899 0 40 FJAB CNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 643880 JYCJZHLDEDYLSX-CQSZACIVSA-N 370.518 4.511 0 40 FJAB COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC(F)F 655679 QVNXMROIXDHZRU-UHFFFAOYSA-N 362.159 4.856 0 40 FJAB CN(C)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 955930 DDKTZWLSEOAESZ-UHFFFAOYSA-N 363.442 4.726 0 40 FJAB Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(Cl)cc2)S3)cc1 957025 KLYSVQUSCAQTEI-HNNXBMFYSA-N 355.850 4.784 0 40 FJAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(Cl)c(Cl)c1 1082918 CRBZHNUMZHTEED-QPJJXVBHSA-N 353.201 4.679 0 40 FJAB CC1(C)C[C@H]([C@@H](CCNC(=O)c2cccs2)Cc2ccccc2)CCO1 1322368 WJCLVGYMVXGTON-RBUKOAKNSA-N 371.546 4.932 0 40 FJAB biogenic CCc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2CC(C)C 1369505 YDSWSSOWBIMQQI-RTBURBONSA-N 359.583 4.577 0 40 FJAB CSC(SC)(C(=O)O)c1cc(-c2c(Cl)cccc2Cl)no1 1611284 USGLNBBXXIBSBU-UHFFFAOYSA-N 364.275 4.612 0 40 FJAB Cc1nn(-c2ccccc2)c(N)c1Sc1c(F)c(F)c(F)c(F)c1F 3180865 NAGOLKHRRKXPFX-UHFFFAOYSA-N 371.334 4.610 0 40 FJAB COc1ccccc1C(=O)CSc1nnc(Nc2cccc(C)c2)s1 3370811 HCFUFPJVVFCHKP-UHFFFAOYSA-N 371.487 4.574 0 40 FJAB CCCC[C@H](CC)CNC(=O)c1csc(Nc2ccc(OC)cc2)n1 4674998 DWKKCFRGZBARSV-AWEZNQCLSA-N 361.511 4.842 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1C 4854323 KLAYQFDUSUXSDJ-NRFANRHFSA-N 363.436 4.881 0 40 FJAB CC(=O)N1N=C(c2c(C)coc2C)C[C@@H]1c1ccc(Cl)cc1Cl 4942325 RHWAAYXBRWPWAB-MRXNPFEDSA-N 351.233 4.901 0 40 FJAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1)N(O)c1ccccc1 5306467 YAMYXDXWQAYIBN-FCHUYYIVSA-N 371.440 4.662 0 40 FJAB CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 5841638 MKSMANVFVAJICM-UHFFFAOYSA-N 368.477 4.596 0 40 FJAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 6296154 OIJNZKGHLQHCPF-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 6323958 IFDGTWCUQGDSMU-MHWRWJLKSA-N 372.402 4.610 0 40 FJAB CCC(=O)c1ccc(OC(=O)c2cc(Br)ccc2Cl)cc1 6542948 QTUDMCBCOKUOLV-UHFFFAOYSA-N 367.626 4.914 0 40 FJAB O=C(Nc1ccccc1)c1nc(SCc2ccccc2F)ncc1Cl 6748038 IENUBYZVVPUAOD-UHFFFAOYSA-N 373.840 4.814 0 40 FJAB Cc1cccnc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 7281432 QXYVNUSEGHHWQR-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB CC(C)Oc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342921 HMAQVGSMRVHYBI-BOPFTXTBSA-N 354.431 4.568 0 40 FJAB COc1ccc(-c2cc(NC(=O)c3cc(C)no3)ccc2OC(F)F)cc1 8368274 CGFRPUYSGSQDTP-UHFFFAOYSA-N 374.343 4.512 0 40 FJAB Cc1cccc(NC(=O)CN(c2ccccc2)c2n[nH]c(=S)s2)c1C 8415143 BCOQHOWMPVJPRH-UHFFFAOYSA-N 370.503 4.594 0 40 FJAB CCc1cc2c(=O)c(-c3nnc(-c4ccccc4)s3)c(C)oc2cc1O 8482274 XRXNHNGOHPQLND-UHFFFAOYSA-N 364.426 4.555 0 40 FJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 9988328 LHFUHCQNGCYZOW-MDZDMXLPSA-N 371.839 4.614 0 40 FJAB CC[C@H](C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 11314590 ZCLYRRMSBKLFHT-YWZLYKJASA-N 350.462 4.804 0 40 FJAB CCCC(CCC)C(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1 11693498 CMWVHAKRDTWSJS-UHFFFAOYSA-N 366.465 4.560 0 40 FJAB CCCCC(=O)Nc1nc(C)c(-c2nc3ccccc3n2C(F)F)s1 12559131 XUNNTEKDVBOFDD-UHFFFAOYSA-N 364.421 4.992 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C(=O)C[C@]1(CCC[C@H](C)C1)O2 12893333 FIAKOIHLLJSBOV-AMXDTQDGSA-N 352.430 4.504 0 40 FJAB biogenic C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1cccc(Cl)c1 12908388 MQEAOJHPEATRTB-ZDUSSCGKSA-N 372.877 4.867 0 40 FJAB Cc1ccc2nc3c(c(C(=O)OC[C@@H]4CC4(Cl)Cl)c2c1)CCCC3 12910495 LGMYCDXUSUDIPA-LBPRGKRZSA-N 364.272 4.773 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(F)cccc2F)cc1 12915475 AGSAIAMWYUSCSO-IBGZPJMESA-N 374.431 4.529 0 40 FJAB CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(C)cc2C)cc1OC 12922838 PVNIFSFMCZTNHT-UHFFFAOYSA-N 361.869 4.636 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1Cl)O[C@@H](C)C2 12988410 BNZWYXGMNHYPFX-JTQLQIEISA-N 366.244 4.968 0 40 FJAB COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)cc1OC 19240226 JZAVHPULKSVAJZ-MRXNPFEDSA-N 374.531 4.604 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC2CCCC2)cc1 19874273 ACQNYUPPSLAKBX-QFIPXVFZSA-N 362.473 4.733 0 40 FJAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)c(Cl)c1 20138734 CUIGPIRWDCVVHP-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl 20484665 BDHUMOOKICGODX-UHFFFAOYSA-N 358.652 4.684 0 40 FJAB COc1ccc(-n2nc(Nc3cccc(Cl)c3)c3c2CCCC3=O)cc1 20796782 FJUWNDKGVVZBKE-UHFFFAOYSA-N 367.836 4.797 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1C 20897457 CBXKUJJMUNYRGL-HNNXBMFYSA-N 372.534 4.928 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(F)cc1 21580294 FKEFVEAIQQHPBV-UHFFFAOYSA-N 361.376 4.630 0 40 FJAB CC(C)Cc1noc(CSc2nc(-c3ccco3)nc3ccccc23)n1 23053534 DDTRSPYNZFFJQJ-UHFFFAOYSA-N 366.446 4.764 0 40 FJAB Cn1ccnc1[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1F 25073424 SPOOWKHVYDRNQD-FQEVSTJZSA-N 374.419 4.624 0 40 FJAB COc1ccc(C2(C(=O)Nc3ccc(Cl)cc3)CCCC2)cc1OC 26504921 YWAURSIZHGGSQG-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB C[C@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1ccncc1 27403899 BNBHXHKHOQCKTN-KRWDZBQOSA-N 362.498 4.782 0 40 FJAB C[C@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 28654819 SGZYTGWBJJEJCU-KBPBESRZSA-N 363.379 4.622 0 40 FJAB O=C(/C=C/c1cccs1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 35586429 GOMPTNOWSPKZIF-ONEGZZNKSA-N 372.258 4.818 0 40 FJAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H]1CCSc2ccccc21 40068818 BHKITJDJXMUAHU-YOEHRIQHSA-N 356.491 4.601 0 40 FJAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc(OCc3cccnc3)cc2)s1 40155951 WGAUKWMGJRWTGQ-INIZCTEOSA-N 366.486 4.864 0 40 FJAB CN(C(=O)c1cccc(OCc2cccs2)c1)c1ccc(F)c(F)c1 58367092 FNZVAVKZXXLZOT-UHFFFAOYSA-N 359.397 4.882 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3cccc(OC)c3)ccc21 59457508 KUJLAHJRCVTERE-UHFFFAOYSA-N 374.440 4.841 0 40 FJAB CC(=O)Nc1ccc(F)c(C(=O)N(c2ccccc2)c2nc(C)cs2)c1 64680267 KSXDRWGMPWIWGZ-UHFFFAOYSA-N 369.421 4.528 0 40 FJAB O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(Cl)cc2c1Cl 72329823 OECJFVXRDJOVLI-UHFFFAOYSA-N 374.195 4.653 0 40 FJAB C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Br)cc1Cl 78674888 JVYQNANUMZXLKU-IINYFYTJSA-N 360.679 4.636 0 40 FJAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1c(Cl)nc2ccccn12 84606537 AQSHOURAUSUKCC-OAHLLOKOSA-N 359.882 4.711 0 40 FJAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)c1nnc(C(F)(F)F)o1 89913781 YBTWCSANFSMZFD-ZETCQYMHSA-N 359.304 4.736 0 40 FJAB CCCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224165522 FCILETLGTFIVAK-UHFFFAOYSA-N 355.478 4.712 0 40 FJAB CC[C@H](C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225189894 LHPVHUDEMBZLON-NSHDSACASA-N 351.928 4.971 0 40 FJAB Cc1ccc([C@H](NC(=S)Nc2ccc3c(c2)OCO3)C(C)C)c(C)c1 225764170 FVWUBWDBHCCREC-LJQANCHMSA-N 356.491 4.716 0 40 FJAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833280 OXWLQYLTUNWNDD-INIZCTEOSA-N 363.461 4.641 0 40 FJAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1F 408627649 NAMPIKPMQRHJBM-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Cn1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc21 408634167 PUOJYKBOILKUMC-YVLHZVERSA-N 350.399 4.537 0 40 FJAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cccc(O)c1 408729660 HQVYVSBICAAOIL-UKTHLTGXSA-N 355.802 4.605 0 40 FJAB Cc1ccccc1[C@H](C(=O)O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 578448368 SXRPTEDGJXULEA-MAUKXSAKSA-N 358.507 4.580 0 40 FJAB Cc1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)o1 679459893 IEYRHBSJQUSVNM-MRXNPFEDSA-N 369.396 4.535 0 40 FJAB Cc1c(NC(=O)c2cccc(C(C)(C)C)c2)cnn1-c1ccccc1F 1536225401 RNHWCCMRISXALB-UHFFFAOYSA-N 351.425 4.870 0 40 FJAB Cc1ccc(Cl)c(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 1621629012 GSDCZNJEAIQZLT-CYBMUJFWSA-N 363.866 4.776 0 40 FJAB FC(F)(F)Oc1cccc(OCOc2cccc(OC(F)(F)F)c2)c1 2362803716 AQNIFYYSFYOCKU-UHFFFAOYSA-N 368.229 4.899 0 40 FJAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc2ccccc12 678958 USVAWBCKFUIMGQ-UHFFFAOYSA-N 354.862 4.928 0 40 FJAB CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)CC)c2ccccc21 824677 YDOOEADADLUVBV-UZLBHIALSA-N 350.462 4.706 0 40 FJAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 976590 BANVLPCAJJYGFZ-UHFFFAOYSA-N 368.440 4.559 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1OC 1510272 UMVYWXIMOSVMRF-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1cccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1C 2119577 BEDJAXAFNWNWKX-UHFFFAOYSA-N 361.441 4.563 0 40 FJAB biogenic Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1C 2375550 UDXDCIUIJZZXNB-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB Cc1ccccc1NC(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C 2642322 GYSAGAZWKJTIDQ-UHFFFAOYSA-N 373.408 4.998 0 40 FJAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1sc2ccccc2c1Cl 3244716 ARVJMZCIWQXQPM-GFCCVEGCSA-N 365.882 4.503 0 40 FJAB Cc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1 3449241 CWFPWVVEHGPRPX-UHFFFAOYSA-N 372.420 4.574 0 40 FJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)o2)cc1 4602440 INUHQCBCDJIVAO-GFCCVEGCSA-N 372.421 4.638 0 40 FJAB CC[C@@H](C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1 4950330 LECHJHPYEJUAST-LJQANCHMSA-N 356.429 4.529 0 40 FJAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc(F)c(F)c1 5170412 DKIQTRAHDYGKGE-UHFFFAOYSA-N 366.776 4.643 0 40 FJAB Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl 5779292 BPICEPVIIQFXPY-UHFFFAOYSA-N 365.860 4.933 0 40 FJAB O=C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCOCC1 6618441 KMXBGNNLTPDGQC-UHFFFAOYSA-N 366.442 4.553 0 40 FJAB Clc1ccc(-c2cnc(CSc3nnc4n3CCCCC4)o2)cc1 7215214 SRHLDRSMIQFRKV-UHFFFAOYSA-N 360.870 4.605 0 40 FJAB COc1cc(CNCc2ccc(C)cc2)ccc1OCCc1ccccc1 7540240 KHWOLVUULXNTQM-UHFFFAOYSA-N 361.485 4.915 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1C 8041730 KUZRXFPYXVFMCK-CYBMUJFWSA-N 352.261 4.694 0 40 FJAB CCc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 8129284 KHRFJUUWWJZWTA-QGZVFWFLSA-N 351.494 4.678 0 40 FJAB COc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1 8598823 GCBGMFFPAAZMON-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)[C@@H]1CC=CCC1 10572890 DVTKSPPJVMCXCS-SECBINFHSA-N 369.309 4.929 0 40 FJAB CCOc1ccc2[nH]c3c(c2c1)CN(Cc1c(C)nn(C(C)C)c1C)CC3 12191760 RYKLKAAPJNZSIJ-UHFFFAOYSA-N 366.509 4.519 0 40 FJAB COc1ccc(OCCCC(=O)Nc2cccc(Cl)c2Cl)cc1 14396401 JWASRHUYYNHIMF-UHFFFAOYSA-N 354.233 4.800 0 40 FJAB CCCOc1cccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)c1 15669862 STOLGVROYFCQDK-UHFFFAOYSA-N 350.418 4.619 0 40 FJAB Cc1ccc(Nc2nc(C)c3nc(S)n(-c4ccc(C)cc4)c3n2)cc1 20059026 NDWVOBIXBQFLDN-UHFFFAOYSA-N 361.474 4.773 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 22518507 FWNJMCLJBDBZRX-MRXNPFEDSA-N 369.461 4.612 0 40 FJAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)c3ccc(C)nc3)nc2c1 23451969 RICKAQSYKMZYRC-UHFFFAOYSA-N 353.491 4.919 0 40 FJAB CSc1nc2ccccc2n1C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 27023482 VGBMWUXCHDPMGQ-TVQRCGJNSA-N 355.290 4.990 0 40 FJAB C[C@H](C(=O)N1CCC[C@H]1c1ccc(Cl)cc1)n1cnc2ccccc21 30646864 AEHXLIKSONPGLV-KDOFPFPSSA-N 353.853 4.614 0 40 FJAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc(Br)cc1 32512460 LNUGLCQBFHQZNH-NSHDSACASA-N 365.296 4.610 0 40 FJAB COc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc(Cl)c1OC(C)C 32905648 RRDZQIOXSGMHIE-GOSISDBHSA-N 373.880 4.895 0 40 FJAB O=C(Nc1ccccc1)N1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 35442877 XUULMBQPGYVDLR-LBPRGKRZSA-N 374.366 4.603 0 40 FJAB biogenic,in-vitro Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c(C)c1 35622654 ODMHJKIEGITXLB-UHFFFAOYSA-N 357.461 4.823 0 40 FJAB Cc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1Cl 35622698 SIHDSYKPFDRARL-UHFFFAOYSA-N 350.809 4.807 0 40 FJAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39756036 MSJSYMYLODOFJA-UHFFFAOYSA-N 350.506 4.717 0 40 FJAB COc1cc(C)c(N[C@H](C)c2nc3ccccc3n2C(F)F)cc1OC 40086339 OIGFUPBFDFNPAU-GFCCVEGCSA-N 361.392 4.930 0 40 FJAB Cc1ccc(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)o1 44774728 PYVPKUXUTOJNAX-DLBZAZTESA-N 366.486 4.906 0 40 FJAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc2ccccc2o1 46308607 MMDFYQHGDHXZDR-UHFFFAOYSA-N 362.360 4.689 0 40 FJAB CC(=O)Nc1cc(NC(=O)N(C)Cc2cccc3ccccc23)ccc1C 47547669 OQPYWLSBWIQGMG-UHFFFAOYSA-N 361.445 4.771 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2)n1 49765189 HCQUSGZIWNYICV-JOCHJYFZSA-N 374.488 4.642 0 40 FJAB Cc1nc(NC(=O)c2c(F)cccc2F)sc1Cc1ccc(F)cc1 55584376 JUKFPMXAFWLDQN-UHFFFAOYSA-N 362.376 4.712 0 40 FJAB Cc1noc(C)c1CCC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 55788975 RZEDPHKBPOVZJA-UHFFFAOYSA-N 369.852 4.506 0 40 FJAB O=c1nc2n(c3ccccc13)CC/C2=C\c1cccc2c1Cc1ccccc1-2 58180662 NFMTWWQTJVLAMM-NBVRZTHBSA-N 362.432 4.912 0 40 FJAB Cc1cc(C)nc(SCc2ccc(C(=O)NCCC3=CCCCC3)o2)n1 79495533 ACFNWWYMHVCNPM-UHFFFAOYSA-N 371.506 4.599 0 40 FJAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 84284334 FMJQAIFPZHFSPM-GOSISDBHSA-N 353.466 4.757 0 40 FJAB c1cncc([C@@H]2Oc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN23)c1 96306147 DJHDZTOWUGLSSN-GOTSBHOMSA-N 353.425 4.602 0 40 FJAB C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)O)[C@@](C)(CCC(=O)O)[C@H]1CC2 103208124 UJKJBNDDMOKPEE-IJQKITLXSA-N 350.499 4.965 0 40 FJAB biogenic Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1Cl 222581191 PDDAWIIFRIZJBB-UHFFFAOYSA-N 355.800 4.805 0 40 FJAB CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222581408 UEOGBWMNZFOLTR-IGNZVWTISA-N 373.909 4.723 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 222895903 IWQLNOFAVDPTMY-VQTJNVASSA-N 367.489 4.825 0 40 FJAB Cc1cccc(CSCC(=O)NCCOc2ccccc2C(C)(C)C)c1 223731308 UBQIQADQQNDNQN-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224465392 KSOGUXIEFCTRSN-NRFANRHFSA-N 361.441 4.743 0 40 FJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(-c2ccccc2)cc1 224758877 QFVWZOLRHKQDEU-UHFFFAOYSA-N 370.496 4.879 0 40 FJAB CCc1ccc(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 224908149 NFNIVCDANKVVBW-UHFFFAOYSA-N 371.893 4.992 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2cccnc12 225862448 KHNJRHVNTGUVPU-UHFFFAOYSA-N 364.420 4.833 0 40 FJAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3F)nc2c1 226282440 KDSBASYRSUXMIH-UHFFFAOYSA-N 352.287 4.549 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2Cc2ccnn2C)n1 257230787 GDXORBVWYYGPDR-QFIPXVFZSA-N 364.468 4.657 0 40 FJAB COc1cc(C)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409113308 HJWSWWPFKATNSP-WQRHYEAKSA-N 351.446 4.555 0 40 FJAB CCO[C@H](C)c1ncc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 527029564 LBXKPMQRAOTKCN-UXIGCNINSA-N 364.898 4.570 0 40 FJAB CC[C@@H](C(=O)NCCn1nc(C)c(-c2ccsc2)c1C)c1ccccc1 575615344 NOEAWNVCIQAYOP-LJQANCHMSA-N 367.518 4.538 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1O 682974 MRJIUIZNGBJTTC-INIZCTEOSA-N 359.425 4.674 0 40 FJAB CCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 929095 UTKHFBRMSVXEPD-UHFFFAOYSA-N 352.459 4.762 0 40 FJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N(C)C)cc1 1264295 DFVQOEACRSOFTL-RUDMXATFSA-N 365.260 4.720 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)N4c5ccccc5C[C@H]4C)sc3nc2c1 1342820 LIMHQWLVCZLYRD-CYBMUJFWSA-N 373.481 4.932 0 40 FJAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 1470307 CLWWOSMJKONQHI-UHFFFAOYSA-N 354.409 4.931 0 40 FJAB O=C(Nc1nccs1)Nc1ccc(Br)cc1C(F)(F)F 1573542 GDEMHSBTIHMSLX-UHFFFAOYSA-N 366.162 4.568 0 40 FJAB CCOC(=O)C(C)(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12 1618976 ADERMOWTTYJYRP-UHFFFAOYSA-N 360.457 4.539 0 40 FJAB CCCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1781033 UOPDDRKRVJMMNO-UHFFFAOYSA-N 373.449 4.534 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 2512679 FRKAKVYJXPGHQN-UHFFFAOYSA-N 351.446 4.704 0 40 FJAB O=C(OCC(=O)c1ccccc1)/C(=C/c1cccs1)c1cccs1 3240981 GRUIAWOJFSAZQB-FOWTUZBSSA-N 354.452 4.776 0 40 FJAB C[C@H](SC1=NCCS1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3299549 SCHLPQMDACNSBA-LURJTMIESA-N 369.726 4.810 0 40 FJAB O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)C1CC1 3301842 SNADYAZQOSPRAP-MRXNPFEDSA-N 364.228 4.626 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 4650958 RMSLGCYKMYECDQ-QZWKJPRYSA-N 361.913 4.828 0 40 FJAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C 4723847 NADGMCYFHBEHBP-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB COc1ccccc1-c1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1 4880835 GAXSBAUBONQWSG-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(SC)cc3)n2)cc1 5222729 NWMRIOQVVHONPV-UHFFFAOYSA-N 356.472 4.793 0 40 FJAB O=C(O)c1cc(/C=C/c2cccc(Br)c2)nc2ccccc12 5379562 QMXISLXPOBXWQW-CMDGGOBGSA-N 354.203 4.866 0 40 FJAB Cc1ccc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)[nH]c2c1 5728658 QBBGAKZPRHAOLU-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 6274451 QPMZBOAMFNCSIM-UHFFFAOYSA-N 365.351 4.915 0 40 FJAB Cc1ccc(C)c(-c2ccc(=O)n([C@H](C)C(=O)c3ccc(C)c(C)c3)n2)c1 6767138 ZGVBRFGRRKCZRE-GOSISDBHSA-N 360.457 4.588 0 40 FJAB COc1ccc(CN(C2CC2)[C@H](C)c2nnc(-c3cccs3)o2)cc1 7662354 ACDNYJLXMFTFDV-CYBMUJFWSA-N 355.463 4.532 0 40 FJAB O=C(CCSCc1ccccc1)Nc1cccc(Br)c1 7685476 AJAQWMPJUWDVEG-UHFFFAOYSA-N 350.281 4.711 0 40 FJAB CC(=O)c1sc(NC(=O)c2cc(F)cc(F)c2)nc1-c1ccccc1 7799905 QIPVWJQJIDUYMP-UHFFFAOYSA-N 358.369 4.543 0 40 FJAB COc1ccc(-c2nc(CN(C)Cc3ccc(F)cc3)cs2)cc1OC 8120356 WDVRVBSZGOTXHL-UHFFFAOYSA-N 372.465 4.598 0 40 FJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(Br)cc1 8762557 XZUHDTWWDQWKDP-JTQLQIEISA-N 361.264 4.550 0 40 FJAB O=C(CCn1ccc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 9909896 SFZIEYOHXYUNPO-UHFFFAOYSA-N 362.429 4.712 0 40 FJAB Cc1ccc(CSCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 12623638 GHQIHISDVFLDNZ-UHFFFAOYSA-N 353.409 4.563 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)ccc1Cl)O[C@H](C)C2 12780976 MZUAZHHCZNYZJQ-SNVBAGLBSA-N 366.244 4.968 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C(=O)C[C@@]1(CCC[C@@H](C)C1)O2 12893336 FIAKOIHLLJSBOV-IPQOISQHSA-N 352.430 4.504 0 40 FJAB biogenic O=C(COc1ccccc1Cl)N[C@@H](c1ccccc1)c1cccs1 12981723 SMOUKMMGBUJWBH-IBGZPJMESA-N 357.862 4.686 0 40 FJAB C/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 13563766 LWBWPXQSFHXWCB-UVTDQMKNSA-N 356.878 4.929 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 20040615 MTEDPLPTBULJTI-AWEZNQCLSA-N 368.658 4.899 0 40 FJAB COc1ccc(-n2ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20633060 CFYDURGNNBDTOS-SFHVURJKSA-N 360.457 4.917 0 40 FJAB CC[C@H](C)C(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C 28305400 WIYMNOKMELEWMY-NSHDSACASA-N 369.387 4.540 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2csc3c2CCCC3)cc1OC 32895149 ALJDFJUTFXLNCF-QGZVFWFLSA-N 371.502 4.621 0 40 FJAB COC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)c2cccc(F)c2n1 38486949 QVBGAOIEVHDHNK-UHFFFAOYSA-N 364.298 4.923 0 40 FJAB CC(C)CCN[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 39143242 AYVXWNDWJXSNJK-PGRDOPGGSA-N 350.506 4.798 0 40 FJAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(Cl)c(Cl)c2)C1 40286486 ZYFCVAPSLKACGJ-GFCCVEGCSA-N 359.216 4.698 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44873244 IHYXIOLRAKCIQY-UHFFFAOYSA-N 364.533 4.900 0 40 FJAB Cc1cc(C)c2cc(C(=O)O[C@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 45616608 PBPCKMDBNFLNOS-GFCCVEGCSA-N 367.430 4.814 0 40 FJAB CSCc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)o1 49590094 YEDAERCYOYLOIH-MRXNPFEDSA-N 357.479 4.536 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)c(Cl)c1 59290070 IXXRSCLADVFZLX-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)o1 72309486 MYJACHZHFZALFY-MRXNPFEDSA-N 363.461 4.670 0 40 FJAB Cc1cccc2sc(OC3CN(C(=O)Nc4ccccc4Cl)C3)nc12 77101047 VQFZMVVVMSWRLE-UHFFFAOYSA-N 373.865 4.553 0 40 FJAB CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 95067963 OABCDFSTOXTYQZ-UHFFFAOYSA-N 372.259 4.512 0 40 FJAB Cc1ccc(-c2noc(CN(C3CC3)[C@@H](C)c3ccccc3F)n2)cc1 108224131 HAMVPTLBELWFNU-HNNXBMFYSA-N 351.425 4.910 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 197752804 WMHGIVSGGMJTDC-UHFFFAOYSA-N 352.478 4.736 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219301760 NGUYFWYRFFHWNU-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB CC(C)n1cccc1CNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222558631 DIIBNEYIVPTUDV-UHFFFAOYSA-N 358.873 4.583 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)cc1 225138718 PTZRDCOEJWCWBL-ZDUSSCGKSA-N 374.278 4.734 0 40 FJAB Cc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(Cl)cc3)n2)cc1 225466168 GXZLAAHZGNSEHP-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB Cc1ccnc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610975 OHJCMHYKOMQISS-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB COc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c(OC)c1 225658721 PZRQHOUDEGAQTF-HNNXBMFYSA-N 372.534 4.747 0 40 FJAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(OC(C)C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257321967 WECAIIHODQPBEN-KQSFDKENSA-N 359.510 4.635 0 40 FJAB O=C1S/C(=C\c2ccc(Br)s2)C(=O)N1c1ccccc1 408814975 QWARENHSIJXIHA-FLIBITNWSA-N 366.261 4.752 0 40 FJAB C[C@@]1(c2nc(Cc3cccc4cccnc34)no2)CCc2ccccc2C1 545010433 PAXPFIYSRTWARX-HSZRJFAPSA-N 355.441 4.655 0 40 FJAB O=C(NCCc1ccc(-c2ccsc2)s1)NCc1ccc(F)cc1 575413995 GISUGZCZCHSMAZ-UHFFFAOYSA-N 360.479 4.658 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)Cc1c(F)cccc1Cl 575619966 HFFIKKHJIHXFNZ-GFCCVEGCSA-N 361.869 4.984 0 40 FJAB CO[C@@H](C)CN(Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(C)C 1167443666 ZIEKSTKNUZRHRX-LBPRGKRZSA-N 357.281 4.894 0 40 FJAB Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2Cl)c(C)o1 1271604533 VFCGLEYJIMRIHA-UHFFFAOYSA-N 356.647 4.585 0 40 FJAB C[C@]1(CC(=O)Nc2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1 643286 RZKQGOHULYTXOO-QHCPKHFHSA-N 371.440 4.504 0 40 FJAB C[C@H]1Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 684250 DJIXDWNNVRTAEB-NSHDSACASA-N 370.865 4.635 0 40 FJAB Cc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1C 1268886 NXZPOLTXGHVNPM-UHFFFAOYSA-N 358.437 4.861 0 40 FJAB C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)nc(N)c3c21 2209036 XGXBJFJTJBQWHQ-LLVKDONJSA-N 369.515 4.688 0 40 FJAB CSc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1 2625019 BZFUPUKBNKXZOZ-LJQANCHMSA-N 370.518 4.500 0 40 FJAB COc1ccc(-c2nc(-c3ccc(C)cc3C)c(CC(=O)O)s2)cc1 4676614 DWSMQPBQEUNGRM-UHFFFAOYSA-N 353.443 4.730 0 40 FJAB Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccccc2)cc1 5002780 MGKSDKNUOBFIHP-QNGOZBTKSA-N 374.415 4.544 0 40 FJAB O=C(Nc1ccccc1)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 5603978 BTFXMXKURUYFSO-CYBMUJFWSA-N 359.640 4.583 0 40 FJAB COc1ccccc1CCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 7735229 VPAYMHXGVRUGIV-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1cccc(Cl)c1 7909715 VFJLLCNTNJUGKD-MRXNPFEDSA-N 371.893 4.725 0 40 FJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccccc2Cl)cc1 8273759 WASPCHYOZUBMCN-UHFFFAOYSA-N 353.853 4.533 0 40 FJAB Cc1cc(C)cc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c1 8673562 KLOWGWNJGFZJKG-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB CC(C)Cn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21 9087932 IVINKRHVIGQEIE-UHFFFAOYSA-N 350.447 4.554 0 40 FJAB COc1cccc([C@H]2CC(c3cccs3)=NN2c2nc(C)cs2)c1 9481055 CQMQSKXUHSBAGP-MRXNPFEDSA-N 355.488 4.877 0 40 FJAB O=C1CCCN1c1cccc(-c2csc(COc3ccc(F)cc3)n2)c1 9503333 VQINDGPTGBNRTL-UHFFFAOYSA-N 368.433 4.655 0 40 FJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4)ccc3o2)cc1 9660030 YXQLVLQQNTZXQZ-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic Cc1[nH]c2ccc(C(=O)NCc3csc(-c4ccccc4)n3)cc2c1C 10893531 MRHFCRPLGWBLMX-UHFFFAOYSA-N 361.470 4.838 0 40 FJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 12774236 LSMUABSFCCOTPP-QGZVFWFLSA-N 372.515 4.521 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(OCc2cscn2)cc1 12977186 QDMJZBDHUXVZPZ-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)c(C)c1 13661472 SQGAXDAUGJBWQA-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 14857400 KMAMWJDKUKRYSQ-UHFFFAOYSA-N 369.852 4.832 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(-n2cccc2)cc1 15664845 CJFPYHRQZDHLFE-UHFFFAOYSA-N 362.763 4.984 0 40 FJAB Nc1c(Cl)cc(NC(=O)c2cccc(Br)c2)cc1Cl 16489574 FEDSSCRDRVJXGN-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB Cc1nccn1Cc1ccccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 19288239 OYQCOEMXIIIDTG-OAQYLSRUSA-N 365.452 4.506 0 40 FJAB Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1C(=O)O 20144956 QOFBIPMNCHNWNU-UHFFFAOYSA-N 361.397 4.525 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 20487469 UTQYMDOXSOZJIZ-UTKZUKDTSA-N 355.478 4.675 0 40 FJAB Cc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 20490547 LTXFLFNFJADRFK-UHFFFAOYSA-N 368.329 4.894 0 40 FJAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccccc2C)c2ccccc2)cc1 22513481 MOXNWAQMENQLDE-WMZHIEFXSA-N 359.469 4.977 0 40 FJAB Cc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c(Cl)c1 24356526 LQDREOZBZLOXAW-UHFFFAOYSA-N 373.884 4.684 0 40 FJAB O=C(CCOc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 25049417 VHIVLENZRTVACU-UHFFFAOYSA-N 357.413 4.638 0 40 FJAB CCNc1oc(-c2cccc3ccccc23)nc1P(=O)(OCC)OCC 27025593 QZMRDZGJFCCORJ-UHFFFAOYSA-N 374.377 4.818 0 40 FJAB CCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 28231861 YSVDKDOAROWZCH-UHFFFAOYSA-N 355.459 4.973 0 40 FJAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 28238521 OQEQRVBEPVJIJF-LBPRGKRZSA-N 353.388 4.609 0 40 FJAB O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1ccccc1Cl 28541186 PQKHUYQTRSZREB-INIZCTEOSA-N 372.833 4.561 0 40 FJAB CCOc1ccc(N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 28872563 JLAARXZDNKHCQQ-LBPRGKRZSA-N 352.356 4.543 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2ccccc12 35590405 JEPXWNLMVFSGKI-UHFFFAOYSA-N 361.369 4.609 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38856713 AUXPFVHMGFJFPV-GOSISDBHSA-N 354.469 4.800 0 40 FJAB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38859337 PCUPHPKLQRMQLM-KBPBESRZSA-N 357.325 4.510 0 40 FJAB OC1=NC(=S)S/C1=C\c1c(Cl)nc(Cl)n1-c1ccccc1 40146074 PFRPDRNAFOBTFW-TWGQIWQCSA-N 356.259 4.508 0 40 FJAB C[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1Br 43265842 DZBJFZGFTMLBIE-SECBINFHSA-N 355.182 4.610 0 40 FJAB O=C(CCCCCCCC(=O)NC1CCCCC1)NC1CCCCC1 51255733 JLDNXZQXCUMHMF-UHFFFAOYSA-N 350.547 4.615 0 40 FJAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1Cl 57316774 TYWGSPNUCAXQOM-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccccc1Cn1cccn1 70037705 NENTZDUDJZDKJR-VOTSOKGWSA-N 372.255 4.890 0 40 FJAB Cc1csc(C2(NCc3ccc(OCC(F)F)cc3)CCCC2)n1 78904326 LOVGNEXAMLHWHB-UHFFFAOYSA-N 352.450 4.655 0 40 FJAB Nc1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)c(Cl)c1 89793857 UJMXPNYVZYJXBU-UHFFFAOYSA-N 352.246 4.918 0 40 FJAB CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 95469141 VLCPOTZXOGYDRL-CVEARBPZSA-N 358.404 4.811 0 40 FJAB CC1(C)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C2=C(O)C1 102523410 QLDQDSHSKCTSRY-AWEZNQCLSA-N 362.355 4.605 0 40 FJAB CCCOc1ccccc1CCCNC(=O)CCc1ccccc1Cl 220018216 HXPNOBYWWRFKSR-UHFFFAOYSA-N 359.897 4.810 0 40 FJAB O=C(CSCc1ccccc1F)NCc1ccc(Cl)cc1Cl 222699237 AQWMBVNCSHDKLB-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 222898413 YSYHKQGIKLZOOU-VQTJNVASSA-N 368.550 4.771 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224159308 JWPPSRHELLMZOM-NRFANRHFSA-N 361.441 4.743 0 40 FJAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COC(C)C 224426108 YRYPYEGHSNSFEN-UHFFFAOYSA-N 367.367 4.891 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 224948295 XDDQEXAPEUVPHH-UHFFFAOYSA-N 364.489 4.501 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225548670 RYKBLNMEZLOWFM-UHFFFAOYSA-N 371.452 4.692 0 40 FJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccco2)nc1 225751784 CMZNCFCAVAEZML-UHFFFAOYSA-N 374.362 4.609 0 40 FJAB Cc1ccc([C@H](NC(=S)Nc2ccc3c(c2)OCCO3)C(C)C)c(C)c1 225764812 RMJNVESOMJBVSN-HXUWFJFHSA-N 370.518 4.758 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Cl)c(Cl)c1 225793725 VURFASHFABUALI-UHFFFAOYSA-N 372.255 4.935 0 40 FJAB S=C(Nc1cccnc1)NC1(CCc2ccccc2Cl)CCCC1 225874192 OLOIEQHZKZTEEK-UHFFFAOYSA-N 359.926 4.967 0 40 FJAB CCCCOc1ncc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C 225912528 IRZWSNAFSQIANQ-UHFFFAOYSA-N 362.514 4.883 0 40 FJAB O=C(Nc1cc(Cl)ccc1-c1cc2ccccc2oc1=O)C(F)(F)F 226358157 CFMCVEMQHKICSD-UHFFFAOYSA-N 367.710 4.614 0 40 FJAB Cc1cc(CN(C(=O)c2nc(C)oc2C)C2CCCC2)c2ccccc2n1 645356789 DWDRHZNRIMGNDT-UHFFFAOYSA-N 363.461 4.733 0 40 FJAB O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1ccccc1Cl 1136327112 XRQNUUKTSVFRFL-FQEVSTJZSA-N 350.849 4.794 0 40 FJAB COc1ccccc1C(=O)Oc1ccc2c(Br)cccc2c1 1017212 SEBMYPQZZZYBRS-UHFFFAOYSA-N 357.203 4.830 0 40 FJAB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 1343836 UXVUAHQNUWKSMU-UHFFFAOYSA-N 356.897 4.600 0 40 FJAB CCOc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 2233492 PXFROTXFMWRPBT-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB CCCCN(C)c1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 2292124 ZTMLIUHPLGDFIX-UHFFFAOYSA-N 370.522 4.636 0 40 FJAB Cc1ccc([C@@H](NC(=O)N2CCCCC2)C(Cl)(Cl)Cl)cc1F 3177695 HGBQLWGMFCRHIY-CYBMUJFWSA-N 367.679 4.741 0 40 FJAB Cc1ccc2nc(NC(=O)Cc3cccc(C(F)(F)F)c3)sc2c1 3332638 VKUHLLUXFYUWCS-UHFFFAOYSA-N 350.365 4.805 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1F 3399814 GVZSNUHBVSMAED-UHFFFAOYSA-N 361.214 4.641 0 40 FJAB O=C(Cn1ccc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 4676696 BHOUUPAASZRKMZ-UHFFFAOYSA-N 356.425 4.859 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 4690818 WYXQAWIDSDRJJC-ZDUSSCGKSA-N 362.267 4.980 0 40 FJAB c1cncc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 5100952 KJQZZJHXBMEAOM-UHFFFAOYSA-N 367.456 4.611 0 40 FJAB COc1ccc(CNCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 5231448 PZYKMCZWXPLMTD-QHCPKHFHSA-N 353.506 4.702 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)c3ccc(Cl)s3)nc12 5256588 LSAGHMGAMFGOBE-UHFFFAOYSA-N 359.259 4.926 0 40 FJAB CCc1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6555783 OELIGJSHKHVRSC-UHFFFAOYSA-N 360.866 4.838 0 40 FJAB c1ccc(CNc2nc(-c3cccs3)nc3sc4c(c23)CCC4)nc1 6784467 SFDCOBWWMCGWTM-UHFFFAOYSA-N 364.499 4.916 0 40 FJAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 7605518 HVAOULAQBWTDJJ-QGZVFWFLSA-N 359.425 4.846 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)OCc1nc2ccccc2s1 7865468 GELATFRIBCHCDE-UHFFFAOYSA-N 366.467 4.706 0 40 FJAB Cc1nc(COc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)cs1 8077004 NIVSONKHZGRZPE-UHFFFAOYSA-N 372.877 4.614 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 8498381 CBORCGNGWQEBFF-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 10289290 UBENVCJTZWYTDT-QRWLVFNGSA-N 369.461 4.869 0 40 FJAB OCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(Cl)cc1 12374722 BNMWOUDXLMRNEP-UZYVYHOESA-N 362.857 4.624 0 40 FJAB Cc1cnc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)s1 13729133 ZEOIYDAWUUXVIA-UHFFFAOYSA-N 368.487 4.721 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1ncc(Cl)c(Cl)c1Cl 14909985 JDXSFYCEQCYHHJ-SNVBAGLBSA-N 357.668 4.793 0 40 FJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 16751086 ZNWRJNCRZMPNNO-HXUWFJFHSA-N 361.441 4.872 0 40 FJAB C=Cn1ncc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)c1C 19216536 AGLNBKZCYSANAW-UHFFFAOYSA-N 370.541 4.505 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2cc(C)ccc2C)c2ccccc2)cc1 20106743 QORJLRCEUOELTO-XMMPIXPASA-N 359.469 4.896 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235487 BTPRJKUNASZYTL-UHFFFAOYSA-N 360.457 4.632 0 40 FJAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@@H]1C[C@H]1c1ccccc1 28230587 ACWLTBLCDVQYDB-FCHUYYIVSA-N 367.452 4.827 0 40 FJAB Cc1cc2oc(=O)cc(Cn3c(C(F)(F)F)nc4ccccc43)c2cc1C 29300099 DLRBNBSAGKZESM-UHFFFAOYSA-N 372.346 4.827 0 40 FJAB COc1cccc(CO[C@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 31678042 MAHVKSNUKMYGIA-OAHLLOKOSA-N 371.477 4.545 0 40 FJAB CCn1ncc2c(C(=O)N[C@@H](C)c3ccccc3)cc(-c3ccccc3)nc21 36616078 TYOQYCANPUTZIO-INIZCTEOSA-N 370.456 4.609 0 40 FJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@H]2CCCC[C@H]21 40145729 AUMFJZHAGRXILY-DODUIYEKSA-N 373.802 4.542 0 40 FJAB Cc1ccccc1-c1noc(-c2ccc(NC(=O)c3ccccc3)cc2)n1 46018686 LQYCQVURENOTJB-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB CC(C)(C)c1nc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cs1 63495198 UIGCNZMLKAKZMK-ZDUSSCGKSA-N 369.412 4.569 0 40 FJAB CC1CCN(c2cc(NC(=O)c3ccc(F)cc3)c(Cl)cc2N)CC1 72229318 NRDLTAZRLDPPIM-UHFFFAOYSA-N 361.848 4.550 0 40 FJAB CCc1nccn1-c1cccc(C2CCN(CCCc3ccccc3)CC2)n1 72378673 LOXSVIQXCVNGNI-UHFFFAOYSA-N 374.532 4.642 0 40 FJAB C[C@H](OC(=O)[C@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1 89904630 FWGDKNXPLGEOIE-HTAPYJJXSA-N 360.457 4.504 0 40 FJAB C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 89905153 CUGVIBJJOJYWDL-XHDPSFHLSA-N 367.312 4.608 0 40 FJAB Cc1ccc(-c2nc(CC(=O)O[C@@H](C)c3nc4ccccc4o3)cs2)o1 95462436 ADAGKHJNQBOUCG-LBPRGKRZSA-N 368.414 4.700 0 40 FJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccnc1)O2 102721883 LOIOCQKUCGPGNZ-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB O=P(O)(O)Oc1ccc2c(c1-c1cccc3c1CCCC3)CCCC2 219077689 XOKLUEPFHTYWSJ-UHFFFAOYSA-N 358.374 4.583 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(C(C)C)cc1 219570954 GHKJZIWRXBGMMR-HXUWFJFHSA-N 369.505 4.725 0 40 FJAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222622734 BMOCAGXSICQZPB-ZLGUVYLKSA-N 374.513 4.770 0 40 FJAB Cc1cccc(CSCC(=O)N2CCC(Cc3ccccc3)CC2)c1 222736326 ZHXPUOBQUQYQRG-UHFFFAOYSA-N 353.531 4.710 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1Cl 223390283 GPGNFGTXWVLSIL-GFCCVEGCSA-N 370.301 4.669 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 224288417 FHHHYMXJRPRSNH-VQTJNVASSA-N 363.486 4.777 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NCCc1ccc(Cl)cc1 225095548 ZYWVJQIIPQAPKE-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)c(C)c1 225878599 CINXTTXBFDMJRI-LJQANCHMSA-N 357.519 4.813 0 40 FJAB Cc1cccc(CN2CCC[C@H](c3cncc(Nc4ncccc4C)n3)C2)c1 257228475 FUAPRVVZKLARCY-FQEVSTJZSA-N 373.504 4.612 0 40 FJAB COc1ccc2cc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@H]5O)ccc2c1 257284472 PCVSLJZPSYXLQZ-MYRUNHTGSA-N 352.474 4.723 0 40 FJAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCOCC1 257295792 QZWNOUZLMGUOQZ-INIZCTEOSA-N 357.519 4.669 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(SC)cc3)S2)cc1 408787313 XFMDUQGJZYMLPY-LYPXWFNGSA-N 356.516 4.571 0 40 FJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC2(CCC2)CC1 672255746 DHQYUIDWAKDJHT-UHFFFAOYSA-N 363.505 4.683 0 40 FJAB CN1C[C@@H](c2cc(Cl)ccc2O)[C@H](c2ccccc2Br)C1 1082553328 NXKADSGVHJFCNG-GJZGRUSLSA-N 366.686 4.621 0 40 FJAB Fc1ccc2ncc(N3CCC(c4nc5ccccc5s4)CC3)nc2c1 1166598318 BKKASYVNFXFWNV-UHFFFAOYSA-N 364.449 4.763 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(F)cc2)N1c1cccc(F)c1 1615159993 WJSGOPXIEALGEY-PMACEKPBSA-N 370.443 4.627 0 40 FJAB O=C(CCC1CCCC1)Nc1cccc(NC(=O)CCC2CCCC2)n1 682991 WJIKFTAUSAKGRP-UHFFFAOYSA-N 357.498 4.899 0 40 FJAB COc1ccc([C@@H](OC(=O)C2=Cc3ccccc3OC2)c2ccccc2)cc1 1352288 SRKHWHSQFMXBMP-QHCPKHFHSA-N 372.420 4.804 0 40 FJAB Cc1cc(C)cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c1 2377344 HYEOWWMFMHECGQ-UHFFFAOYSA-N 361.441 4.645 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c1 2468176 YHPXZWYCPQQOHX-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB COc1ccc(-c2nc3c(-c4ccc(F)cc4)cnn3cc2C)cc1F 4089414 RJWCZBUEDNDZOK-UHFFFAOYSA-N 351.356 4.659 0 40 FJAB Cc1ccc(O)c(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c1 4881162 ZHRJKQSHYWMUAE-UHFFFAOYSA-N 363.200 4.915 0 40 FJAB O=C(OC1CSc2sc(=S)sc2SC1)c1ccccc1 5601844 KSPXBRGJZUOULB-UHFFFAOYSA-N 358.556 4.962 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1 5798999 ASAPAEUUKLJTTJ-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 6338813 NSSYMXWHGODBDL-JTQLQIEISA-N 354.631 4.509 0 40 FJAB Cc1ccc(-c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1 6384125 JYKBEMZWYODQIN-UHFFFAOYSA-N 362.454 4.886 0 40 FJAB Cc1ccc(NC(=O)Cn2c(SC(F)F)nc3ccccc32)cc1C 6590125 NGLXBVIFVASUGI-UHFFFAOYSA-N 361.417 4.607 0 40 FJAB COc1ccc(-c2cc(NC(=O)CCc3ccccc3)ccc2OC)cc1 7638912 KSMYUWZEDVJKCG-UHFFFAOYSA-N 361.441 4.942 0 40 FJAB CCCCNC(=S)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7662579 XIMUTEUFWXIETJ-INIZCTEOSA-N 357.548 4.626 0 40 FJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093747 WYBUPQLQCJXLNN-OAHLLOKOSA-N 361.470 4.797 0 40 FJAB C[C@@H](NC(=O)c1ccccc1OCCOc1ccccc1)c1cccs1 8404218 GFCXUQRAQUDSMY-MRXNPFEDSA-N 367.470 4.697 0 40 FJAB Cc1cccc(C)c1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139654 KBRVTWONTIZWQC-UHFFFAOYSA-N 361.489 4.603 0 40 FJAB Cc1ccc(N(C(=O)c2cc3ccccc3o2)C(=O)N2CCCCC2)cc1 10254538 OPZQGFJQUXHXKZ-UHFFFAOYSA-N 362.429 4.994 0 40 FJAB Cc1nc(/C=C/C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cs1 10843484 SXVOBURDBKYFJT-SOFGYWHQSA-N 356.447 4.535 0 40 FJAB COc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 12531774 FYTFHHZCQDMWEC-VIFPVBQESA-N 358.448 4.536 0 40 FJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccccc3)s2)cc1 12888728 DHMDWFPRXKYBKG-WJDWOHSUSA-N 369.877 4.513 0 40 FJAB CCOc1ccc(NCc2cc3ccc(OC)cc3n(C(C)C)c2=O)cc1 13561600 CANFHOSXBUEGIG-UHFFFAOYSA-N 366.461 4.602 0 40 FJAB FC(F)(F)c1cc(Cl)ccc1NC(=S)Nc1ccc2c(c1)OCO2 13933290 XUKDTDNBVACVLZ-UHFFFAOYSA-N 374.771 4.896 0 40 FJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3c(OC)ccc4ccccc34)C2)cc1 14181570 YBCDRHKLPZUDSA-OAQYLSRUSA-N 374.440 4.555 0 40 FJAB Cc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 14219392 GVWJBJAAIKTVNO-LBPRGKRZSA-N 358.290 4.650 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 15525466 DTEFXYHYJYMHKC-LFYBBSHMSA-N 350.462 4.583 0 40 FJAB CC(C)c1ccc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc1 15832411 UNYHJMDMYZLZFC-UHFFFAOYSA-N 366.486 4.629 0 40 FJAB Cc1cc(NC(=O)c2ccc(F)cc2)nn1Cc1cccc2ccccc12 17074096 HKBLHUDUFZRGSK-UHFFFAOYSA-N 359.404 4.784 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20141564 UDQRVXDTNOFWPM-UHFFFAOYSA-N 365.429 4.870 0 40 FJAB CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@H]2C)N([C@@H](C)CCc2ccccc2)C1=O 20149826 HVPIHAPTVNHLJF-IPPWWJLBSA-N 368.565 4.927 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1 20238539 ODTJCWOKFMYYQW-AWEZNQCLSA-N 365.951 4.870 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(C)=O)cc1 20455496 TYXISNHFYFIFKQ-QGZVFWFLSA-N 362.882 4.808 0 40 FJAB O=C1C[C@@H](c2ccc(O)cc2)c2cc(Br)c3ccccc3c2N1 20851400 MVUOGWHWSMLMFM-HNNXBMFYSA-N 368.230 4.782 0 40 FJAB O=C(COc1ccc2ccccc2c1)OCc1coc(-c2ccccc2)n1 24282197 VNTMBOODMYMNKZ-UHFFFAOYSA-N 359.381 4.617 0 40 FJAB Cc1ccc(Cn2nc(C)c(NC(=O)Cc3c[nH]c4ccccc34)c2C)cc1 27922084 QCYJBJVGMDEQNH-UHFFFAOYSA-N 372.472 4.519 0 40 FJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Cl)c(Cl)c1 32688933 UPGLZRXJWSFDQT-HNNXBMFYSA-N 369.317 4.622 0 40 FJAB CCOC(=O)/C(C#N)=C(\C=C\c1ccc(OC(F)F)cc1)c1ccccc1 33693307 LYQUBZZZJQMALA-FOYOAPBKSA-N 369.367 4.842 0 40 FJAB CC1CCN(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 38857429 KZQLGWIOLVYLME-UHFFFAOYSA-N 356.897 4.502 0 40 FJAB COc1ccccc1/C=C(/C(=O)NCc1ccccc1OC)c1ccccc1 40050832 UZFBKJUTKVMIGU-LTGZKZEYSA-N 373.452 4.561 0 40 FJAB CSc1cccc(NC(=O)CN[C@@H](c2ccc(C)cc2)C(F)(F)F)c1 48342293 PGVYVOSJUCONBQ-KRWDZBQOSA-N 368.424 4.549 0 40 FJAB Cc1cc(C(=O)Nc2ccnn2C2CCCCC2)c2ccc(F)cc2n1 48367914 OVJLXVIWRMCZPB-UHFFFAOYSA-N 352.413 4.636 0 40 FJAB Cc1noc(C)c1CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1 66610306 WJMQYFAFENLPGI-UHFFFAOYSA-N 369.368 4.794 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2cccc(F)c2C)cc1Cl 71760546 AUEFJMOBQDKQOA-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CC[C@@H](C)c1nnc(C2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 71889944 IDGZZXRTMXTXDS-GFCCVEGCSA-N 354.372 4.698 0 40 FJAB COCCCC(=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 75142531 MVVCYXKJMFSQCZ-UHFFFAOYSA-N 358.526 4.769 0 40 FJAB O=C(c1cccc(Br)c1)N1CCC(c2ccsc2)CC1 75157144 NSJYYJPSEKUGFN-UHFFFAOYSA-N 350.281 4.530 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@H]1c1cccs1 84437126 SLWATVWIEFHAOL-INIZCTEOSA-N 366.446 4.699 0 40 FJAB CC(C)(C)c1ncc(NC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cn1 89725328 BPFUFUJMEGFZPD-HTAPYJJXSA-N 364.493 4.707 0 40 FJAB c1cncc([C@@H]2Oc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 96306148 DJHDZTOWUGLSSN-PKTZIBPZSA-N 353.425 4.602 0 40 FJAB COc1ccccc1/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 100290586 GTVRNRZHFCEDCV-QURGRASLSA-N 359.454 4.842 0 40 FJAB Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2C1CCCC1 100424349 ASINGMBUBPAYSM-RTBURBONSA-N 357.567 4.610 0 40 FJAB COc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1F 103469164 DMLMGSBJSPPGTH-OBJOEFQTSA-N 360.454 4.723 0 40 FJAB CC(=O)N(c1nc(CN(c2ccccc2)C2CCCC2)cs1)C1CC1 114721523 KKOUXTNICBITAE-UHFFFAOYSA-N 355.507 4.608 0 40 FJAB Cn1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc21 117185134 DKHJMWZHQJNDGN-UHFFFAOYSA-N 368.864 4.515 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 219849174 ICLQMQFPBVXDHW-UHFFFAOYSA-N 373.294 4.613 0 40 FJAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2ccccc2Cl)cc1 223383840 BDDIOQNMESOEJU-JLHYYAGUSA-N 357.881 4.846 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Cl)cc1 224453112 WSHMCHPMEJEVSS-IRXDYDNUSA-N 371.918 4.974 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CSCc3cccc(C)c3)s2)cc1 224513412 RGDVVFXTQAZIAO-UHFFFAOYSA-N 369.515 4.694 0 40 FJAB COc1ccc(Cl)cc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225121396 TXMBETFABWQJSS-IBGZPJMESA-N 356.805 4.577 0 40 FJAB Cc1nc(/C=C2/SCCN2C(=O)c2ccc(C(C)(C)C)cc2)cs1 225258531 NSSRKXYWYICTRB-GZTJUZNOSA-N 358.532 4.937 0 40 FJAB COc1cc(CNC(=S)Nc2cccc(Cl)c2)ccc1OC(C)C 225530280 SCHLUXAZQLRJQG-UHFFFAOYSA-N 364.898 4.622 0 40 FJAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c3ncccc23)CCC[C@@H](C)C1 225911819 BGPUBSIKTSNTHC-OPAMFIHVSA-N 370.493 4.948 0 40 FJAB CCc1ccc(-c2nc3cc(N(CC)C(=O)C(F)(F)F)ccc3o2)cc1 226282071 CLGVJLGXXJITKZ-UHFFFAOYSA-N 362.351 4.972 0 40 FJAB CCCOc1ccc(Br)cc1CNc1cccc(C(=O)O)c1 315448800 GXFXATRWONKEOO-UHFFFAOYSA-N 364.239 4.548 0 40 FJAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nccs2)c1Cl 408624611 YEWKUIRFWGYBHY-UHFFFAOYSA-N 365.669 4.738 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 409182325 KNBYIDWBFXUDEF-UHFFFAOYSA-N 357.475 4.683 0 40 FJAB Cc1sc([C@H](C)N=c2[nH]nc(C3CC3)o2)nc1-c1ccc(Cl)cc1 557607989 YMHLRESNBLZRRR-VIFPVBQESA-N 360.870 4.627 0 40 FJAB Cn1cccc1-c1nnc([C@@H](Oc2ccc(Cl)cc2)c2ccccc2)o1 1261427288 SIZDKDZAGZYOTL-SFHVURJKSA-N 365.820 4.897 0 40 FJAB Cc1c(Cl)cccc1-n1c(SCC2CCC2)nc2c(c1=O)CCCC2 2087076293 HTBHRYWUAYBNAM-UHFFFAOYSA-N 374.937 4.965 0 40 FJAB CCC[C@@]1(O)C[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C 829479 XVMYIMXBHZVAHC-YMPRXVIZSA-N 369.505 4.647 0 40 FJAB CC[C@@H](OC(=O)c1cc(Cl)nc2ccccc12)C(=O)c1ccccc1 991688 GUMOQIYLEQCBCF-QGZVFWFLSA-N 353.805 4.707 0 40 FJAB CCOC(=O)c1oc2nc(-c3cccs3)cc(-c3ccco3)c2c1N 1035474 WWMUCNBEECXFOK-UHFFFAOYSA-N 354.387 4.575 0 40 FJAB CC(C)CN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1Cl)C2 1369538 ODLCYGHWFZPPJW-HZPDHXFCSA-N 365.974 4.668 0 40 FJAB CCCOC(=O)[C@H](CC)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 1778567 QHCVRBBNMSYDRT-AAEUAGOBSA-N 364.536 4.640 0 40 FJAB COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3)cc12 2267073 VTLYEQLMJNUNPH-UHFFFAOYSA-N 374.820 4.777 0 40 FJAB biogenic CC(C)CC(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4162527 MLMOFHGXGKGMNB-UHFFFAOYSA-N 354.381 4.809 0 40 FJAB CCc1cccc2sc(NC(=O)c3ccccc3Br)nc12 4348334 UECBSJLKVBCGKY-UHFFFAOYSA-N 361.264 4.874 0 40 FJAB Cc1ccc(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 4500394 WNNLSGRMZWBLCV-OAHLLOKOSA-N 370.497 4.630 0 40 FJAB Cc1ccc(-c2cnc(NCc3cccc(Br)c3)n2C)cc1 4678433 RMIXNNJFOZHAOU-UHFFFAOYSA-N 356.267 4.770 0 40 FJAB O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)C1CCCC1 5035385 QQAIVHOAWACICO-UHFFFAOYSA-N 366.392 4.953 0 40 FJAB O=C1c2c(Cl)cccc2C(O)(c2ccccc2)c2cccc(Cl)c21 5438665 NFYJTRBCUJHZJZ-UHFFFAOYSA-N 355.220 4.822 0 40 FJAB O=C(COc1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 6219077 JBISIQICSHHSSU-UHFFFAOYSA-N 360.438 4.981 0 40 FJAB O=C(/C=C/c1ccco1)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 6258701 KFYVCKKSCMJRJR-ZHACJKMWSA-N 366.804 4.837 0 40 FJAB CCSc1nc2ccccc2n1Cc1nnc(-c2ccc(C)cc2)o1 6665358 UGONUBCBERQSOG-UHFFFAOYSA-N 350.447 4.555 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 8049402 JOVVAVIIVWXPHL-INIZCTEOSA-N 363.413 4.894 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 8378253 DWNLWAMIEAPWHC-UHFFFAOYSA-N 362.429 4.611 0 40 FJAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 8745106 MSNXGCJJOWXAQH-UHFFFAOYSA-N 353.856 4.636 0 40 FJAB O=C(NC1CC1)[C@@H](SC1=Nc2ccccc2CS1)c1ccc(F)cc1 11268409 PSYCWASEZJHXCG-KRWDZBQOSA-N 372.490 4.813 0 40 FJAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2c3ccccc3C[C@H]2C)cc1 12566407 HQCLHHBOZCUWNJ-VGSWGCGISA-N 373.504 4.637 0 40 FJAB aggregator Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 12637134 ZJHRHXIYEWXECT-GOSISDBHSA-N 361.489 4.911 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1cccc(F)c1 12816150 XJNVPIUOQKACDR-CYBMUJFWSA-N 368.433 4.631 0 40 FJAB CC(=O)c1ccc(NC(=S)NCCc2ccc(Cl)c(Cl)c2)cc1 13577420 CEFVGYHRWSZROM-UHFFFAOYSA-N 367.301 4.725 0 40 FJAB CC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3F)nc2C)c1 13690364 OANVPLXTDLMMIM-UHFFFAOYSA-N 354.406 4.713 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(Cl)cc1F 14180590 PJSVOTUIFQFLRC-UHFFFAOYSA-N 352.843 4.845 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(N2CCCC2=O)c1 18080046 PKUVIIHGRSHVPD-UHFFFAOYSA-N 372.424 4.858 0 40 FJAB O=C(Cc1ccc(Br)cc1)N1CCCSc2ccccc21 23228353 HXATZTHWGCGLIB-UHFFFAOYSA-N 362.292 4.521 0 40 FJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(F)c(Cl)c1 32759133 BQJLEHVCGYWMTG-UHFFFAOYSA-N 353.850 4.675 0 40 FJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(F)cc1Cl 32930537 YPFHYPIENCSZQL-UHFFFAOYSA-N 356.784 4.596 0 40 FJAB O=C(O)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615717 XXHQFKJWVFGVDK-UHFFFAOYSA-N 367.767 4.554 0 40 FJAB C[C@H](Sc1ccc(Br)cc1)c1nc(-c2ccco2)no1 40071924 WKEWFSKUUNOLEC-VIFPVBQESA-N 351.225 4.945 0 40 FJAB Cc1cc(C(=O)Nc2cccc(-n3ccnc3)c2)c(C)n1Cc1ccccc1 40119497 DRMMOSQDPMTNSV-UHFFFAOYSA-N 370.456 4.591 0 40 FJAB Cc1noc(C)c1C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 45403388 SPFOKBPWGABYOD-NSHDSACASA-N 352.356 4.676 0 40 FJAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](c2ncc[nH]2)C1 95395351 PTGHYNYURDHKLA-OAHLLOKOSA-N 370.522 4.856 0 40 FJAB O=C(c1ccc2ncsc2c1)N(CCc1cccs1)Cc1ccoc1 96120663 YTBIZAHRVJAEHB-UHFFFAOYSA-N 368.483 4.836 0 40 FJAB CCOc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(C)=O)cc1 96136865 QZSUZWXYYTYOAD-HSZRJFAPSA-N 358.441 4.936 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(C)cc1 116172515 XEPWFQZZKAAVOE-JOCHJYFZSA-N 361.489 4.738 0 40 FJAB Cc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1 224032980 HCAAMIPNNMLCAJ-UHFFFAOYSA-N 369.515 4.628 0 40 FJAB Cc1ccc(OCCNC(=O)c2ccccc2SC(C)C)cc1Cl 224170431 LCTBAXDUABDQPP-UHFFFAOYSA-N 363.910 4.958 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCC1 224344529 QPFROLYQKUNBCM-FQEVSTJZSA-N 361.551 4.515 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2cccc(Cl)c2)c2ccccc2O1 224539410 PAJKERNUNUEVOB-GOSISDBHSA-N 373.880 4.918 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224644549 JWMFTLBPVGCJDP-FMIVXFBMSA-N 368.908 4.656 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3Cl)ccc21 225130347 ZMNPDKWDEUQTLR-JXMROGBWSA-N 372.877 4.949 0 40 FJAB Nc1nnc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)o1 226325701 FRTHYAVZUFKTGB-UHFFFAOYSA-N 370.623 4.858 0 40 FJAB COc1cccc(C2=CCN(C(=O)c3cc4c(ccc5ccccc54)[nH]3)C2)c1 501589047 ZFOHBWHICOFYLB-UHFFFAOYSA-N 368.436 4.869 0 40 FJAB CC(C)[C@@H](C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccnc1 684770190 OCIBMQJDZOJBGR-IEBWSBKVSA-N 358.869 4.505 0 40 FJAB CC[C@@H](NC(=O)c1nsc2ccccc12)c1nc(C(F)(F)F)cs1 1126538655 XMJORVOCINOVDW-SECBINFHSA-N 371.409 4.653 0 40 FJAB CC(C)SCc1nnc2sc(CSc3ccc(Cl)cc3)nn12 1776111090 XDROLZUAZCQXEE-UHFFFAOYSA-N 370.956 4.773 0 40 FJAB O=c1oc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Br)cc12 861824 GHTZIBMKXLZSDL-UHFFFAOYSA-N 371.017 4.924 0 40 FJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccncc1)O2 1453768 FTNHRSONTISOAJ-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB COc1cccc(/C=C/[C@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)c1 2160784 GEWBFFCBAMYBAN-XDQZKXAQSA-N 362.473 4.871 0 40 FJAB biogenic CN(C)CC(=O)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 3145249 ASOQHGGUTRAJKV-UHFFFAOYSA-N 373.667 4.939 0 40 FJAB CC[C@H](O)CNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164241 WQXDRXUNSSFKHQ-SFHVURJKSA-N 355.374 4.652 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3F)ccc21 3210048 JYVBURBSNCBPDZ-UHFFFAOYSA-N 362.404 4.971 0 40 FJAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(C)C)cc1F 4400656 DXVHPMQLVUKLKY-UHFFFAOYSA-N 371.481 4.871 0 40 FJAB O=C1c2cccc3cccc(c23)C(=O)N1Cc1c(Cl)cccc1Cl 4419321 CXLWNCHDPPDANI-UHFFFAOYSA-N 356.208 4.943 0 40 FJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1 5546516 RLIQWBSFIWIBSZ-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB FC(F)(F)c1cccc(-n2c(S)nnc2-c2ccc3ccccc3n2)c1 5906548 QKHKWVHBYIJFDT-UHFFFAOYSA-N 372.375 4.790 0 40 FJAB COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCCC2 6440965 UJPGLUPRKNXKBF-UHFFFAOYSA-N 369.486 4.545 0 40 FJAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 6747550 FNZJRSYXUVYWJQ-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(OC)c2)N3)C1 6934492 YERUVQBWOXCGCH-VOJFVSQTSA-N 372.490 4.709 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 6943971 PSECHVGJFFWNTD-QAPCUYQASA-N 365.502 4.909 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 6978201 RRNAVFMNESKGHK-DEOSSOPVSA-N 374.484 4.798 0 40 FJAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)C(C)(C)C)o3)cc2C1 7131073 YCEYILSEHXERDK-JTQLQIEISA-N 350.509 4.630 0 40 FJAB Oc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)c1 7596930 HRPLUBCGJLYOOW-YLJYHZDGSA-N 366.804 4.881 0 40 FJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@H]1c1cccs1 7736961 OZXIAZGDFYSWBH-SFHVURJKSA-N 363.486 4.789 0 40 FJAB CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 8084302 QVLKVHZOYTZWEQ-AWQFTUOYSA-N 352.217 4.770 0 40 FJAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(C2CC2)o1 8881550 PBCVCBSIWCMLDE-UHFFFAOYSA-N 361.426 4.607 0 40 FJAB Cc1cccc(-c2noc(CN(C(=O)Nc3ccccc3C)C(C)C)n2)c1 9200918 KMRKCFCXXXPEHF-UHFFFAOYSA-N 364.449 4.796 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1c(C)cc(C)cc1Cl 9497587 IKCBRZAAAOVXAH-IBGZPJMESA-N 368.864 4.860 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10338601 ANMSCWLUIJVTAU-UHFFFAOYSA-N 352.478 4.521 0 40 FJAB C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N(C)C)cc1 11436035 ODXWGKMXHUXMGJ-GFCCVEGCSA-N 368.424 4.891 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)cc3)cc(C3CC3)nc21 12871743 TZNOCWRUCHKMMD-UHFFFAOYSA-N 354.841 4.795 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCc2ccccc21 12999287 CNSAZCFIQJCYBX-BZNIZROVSA-N 350.245 4.564 0 40 FJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c(C)c1 13673015 WSOPHTRIBUKREL-UHFFFAOYSA-N 359.491 4.734 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c2cccnc12 15840849 PJYMDZANJQMOGU-QGZVFWFLSA-N 368.408 4.569 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1ccccc1C(F)(F)F)O[C@H](C)C2 18238097 DHVPFQUMDJVMTP-LLVKDONJSA-N 365.351 4.680 0 40 FJAB COc1cc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)cc(OC)c1 19240066 FKJXBSIMFANUIM-SFHVURJKSA-N 374.531 4.604 0 40 FJAB CCOc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1 20672116 CNTHTZQFPQDYIG-UHFFFAOYSA-N 365.408 4.673 0 40 FJAB COc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)c1 20672254 GHJQGFSSYSWERN-CYBMUJFWSA-N 365.408 4.529 0 40 FJAB CCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O 20798295 CFZYAUYJGHBELY-UHFFFAOYSA-N 367.452 4.722 0 40 FJAB COc1ccc2oc(-c3ccccc3)c(I)c2c1 26897189 WTLREQIHTJNFPS-UHFFFAOYSA-N 350.155 4.713 0 40 FJAB c1ccc2sc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)nc2c1 27574125 HRLKHBULGHNVJZ-UHFFFAOYSA-N 366.486 4.970 0 40 FJAB CN(C(=O)/C=C/c1ccc(Br)cc1)[C@@H]1CCc2ccccc21 27820288 WSXWYSFSAGPACQ-INMULRNOSA-N 356.263 4.608 0 40 FJAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc(Cl)cc2)o1 28237895 IFMXTBVUCOSVCI-UHFFFAOYSA-N 359.784 4.581 0 40 FJAB CC(C)N(C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)C(C)C 28297110 PFFTVCXOTOLTFR-MRXNPFEDSA-N 362.945 4.653 0 40 FJAB COc1ccc(SCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 30855404 GHYZAVIGTZKDPE-FQEVSTJZSA-N 373.518 4.700 0 40 FJAB CC(C)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 32895506 BTQFDXBTHKFYGL-UHFFFAOYSA-N 359.369 4.509 0 40 FJAB CCCSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 39989114 UQWKXSGYOMYXRX-GQCTYLIASA-N 374.318 4.999 0 40 FJAB Cc1oc2cc(OC(=O)C3CC3)ccc2c(=O)c1-c1ccccc1Cl 43702037 UKQPCBRAMVTTFD-UHFFFAOYSA-N 354.789 4.737 0 40 FJAB C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 44103133 QCDCKURNIJFADY-LBPRGKRZSA-N 357.841 4.571 0 40 FJAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 44790136 OSJKIIKWJRHKMU-DZGCQCFKSA-N 357.325 4.510 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1cccc(C)c1 44949447 QQWDCKGVZNSFPM-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB CN(Cn1nc(Nc2ccccc2F)sc1=S)C1CCCCC1 57999699 PJXSVLLCWHSQMV-UHFFFAOYSA-N 352.504 4.779 0 40 FJAB CCn1ccnc1CN1CCC(c2cccc(Cc3ccccc3C)n2)CC1 72350286 QZISJCSMUFMBCZ-UHFFFAOYSA-N 374.532 4.577 0 40 FJAB CSc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72406378 VFYIZGFGWLPVPR-HNNXBMFYSA-N 355.488 4.838 0 40 FJAB CC(C)(C)C(=O)N1CCOc2ccc(Nc3nc4ccccc4s3)cc21 84140094 JKXHMTXQQFNPFV-UHFFFAOYSA-N 367.474 4.811 0 40 FJAB CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1cccs1 89941542 NWRXYVJVABZDCB-CQSZACIVSA-N 363.280 4.598 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(C)c(C)c2)C(=S)N1 101170048 WMESRXOQOSUNTI-NQIIRXRSSA-N 352.503 4.800 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1 219603742 PULBFODESRTUJI-GOSISDBHSA-N 366.288 4.900 0 40 FJAB O=C(NCCCc1cccc2ccccc12)C1(c2ccccc2)CCOCC1 222649432 HLWOAWSYXLKYSM-UHFFFAOYSA-N 373.496 4.637 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 223389749 JGWGYUCKALKLPF-GFCCVEGCSA-N 354.302 4.833 0 40 FJAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1N 226365439 XDTXWHAJQXKUNV-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB CCOc1cccc2c1O[C@@](C)(CCCC(C)C)[C@H]1CC3(CNC3)CO[C@H]21 257251056 JPFMKNJVISOKRR-DWLFOUALSA-N 373.537 4.730 0 40 FJAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408834894 VLPYTTYJYSWAQH-UHFFFAOYSA-N 366.244 4.994 0 40 FJAB C[C@H](S[C@@H]1CCO[C@@H]1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 533169502 POULPECBIKKTSH-ZRGWGRIASA-N 357.475 4.717 0 40 FJAB COc1ccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682449 NFCPEXMLNGJCDV-MRXNPFEDSA-N 360.409 4.635 0 40 FJAB COc1cccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)c1 812427 BNTJQRSXUQISRJ-UHFFFAOYSA-N 365.414 4.544 0 40 FJAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H](C)CC)c3C)C2)cc1 1422021 YBSQWUNMMYRDHT-XJKSGUPXSA-N 369.461 4.590 0 40 FJAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 2274794 RXNZNVVGQKBILZ-UHFFFAOYSA-N 356.516 4.746 0 40 FJAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccc(C)cc3C)s2)cc1 2887793 SOWQHKIUHNJXBQ-UHFFFAOYSA-N 365.502 4.710 0 40 FJAB COc1ccc(OC)c(/C=C/C(=O)OCc2ccc(Cl)cc2Cl)c1 3256655 ACORQHNUESCASI-XBXARRHUSA-N 367.228 4.767 0 40 FJAB COC(=O)c1ccc(COC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 3373541 IJWBSZGKJOGSJT-VQHVLOKHSA-N 365.212 4.537 0 40 FJAB CCOc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1 3495730 HJJMWGXPSNGCLQ-UHFFFAOYSA-N 366.364 4.966 0 40 FJAB CCCCC[C@@H]1C[C@@H](OC(=O)Nc2ccccc2)C=C(C)[C@@H]1C(=O)OC 4024457 LXYPHJSHOAJKFP-NEWSRXKRSA-N 359.466 4.939 0 40 FJAB biogenic CCN(CC)CCCN(C(C)=O)c1nc(-c2ccc(Cl)cc2)cs1 4214934 LTTRBODJZLWDCV-UHFFFAOYSA-N 365.930 4.548 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1cccc(NC(=O)c2ccccc2)c1 4696260 QKAAVZQPIUQEHV-GOSISDBHSA-N 372.468 4.690 0 40 FJAB COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1 4735095 GGUUGMPDKNFREL-UHFFFAOYSA-N 373.412 4.791 0 40 FJAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NCc1cccs1 4849484 BSTPMDIPUCKYLR-UHFFFAOYSA-N 370.543 4.884 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1C 4912716 PRXUOTFETWYPDJ-UHFFFAOYSA-N 363.442 4.810 0 40 FJAB CCOc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 5292881 ODQXHLVRNQZKCG-UHFFFAOYSA-N 363.413 4.895 0 40 FJAB O=C(Cc1ccccc1)Nc1oc2ccccc2c(=O)c1-c1ccccc1 5351271 IMIQCEMLILOIOM-UHFFFAOYSA-N 355.393 4.641 0 40 FJAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1 6243134 YHILNIHNIKAKCW-CQSZACIVSA-N 356.491 4.726 0 40 FJAB CC(=O)c1ccc(OC(=O)COc2ccc(Cl)c3ccccc23)cc1 7918603 QJFFUSQDHSAWJQ-UHFFFAOYSA-N 354.789 4.680 0 40 FJAB CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 8227211 ORVDFXFQIBURPI-UHFFFAOYSA-N 354.675 4.791 0 40 FJAB in-vivo CCOCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)oc2ccccc12 8429310 RGIUUARQZQDRMF-UHFFFAOYSA-N 353.462 4.668 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2)cc1 9112340 VBZZAWLWLSFODW-FQEVSTJZSA-N 372.424 4.852 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccc2nc(-n3cccc3)sc2c1 9575705 BGKRHCXTBUTGBF-UHFFFAOYSA-N 367.861 4.670 0 40 FJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3cccs3)C2)cc1 9576557 PCYATCVHPPHTHH-INIZCTEOSA-N 355.488 4.877 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(C)c(F)c3)o2)cc1C 10496537 YBBHZUJKMNMRIS-UHFFFAOYSA-N 366.436 4.655 0 40 FJAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 11469832 PFGZCTAFXZBQOA-NTCAYCPXSA-N 362.473 4.590 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)CC1(C(=O)O)CCCCC1 13466798 SXPXKZREDLNSGC-UHFFFAOYSA-N 351.874 4.829 0 40 FJAB COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 14258476 AZFPJQGITPBMBY-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB Cc1ccc(SCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 14397858 MPNUOCQVCVBRFW-UHFFFAOYSA-N 354.519 4.507 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1nnc(C2CCCCC2)s1 14679128 INLHELILATXVKN-UHFFFAOYSA-N 354.479 4.638 0 40 FJAB O=C(Nc1ccccc1)O[C@@H]1C=CC=C[C@H](OC(=O)Nc2ccccc2)C1 16919303 TVUPLWUELDGWJI-KDURUIRLSA-N 364.401 4.737 0 40 FJAB biogenic CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(Cl)cc12 23643453 KXHXIBFUJGKKGT-UHFFFAOYSA-N 374.893 4.567 0 40 FJAB CC1(C)C[C@H]([C@@H](CNC(=O)c2cccs2)Cc2ccccc2)CCO1 27666519 BWHRYUKPKFVICQ-QZTJIDSGSA-N 357.519 4.542 0 40 FJAB CCOCc1ccccc1CNC(=O)c1sc(-c2cccs2)nc1C 30178860 HDDSRRGPASADNP-UHFFFAOYSA-N 372.515 4.647 0 40 FJAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c2cccnc12 32769338 BQHNJUOFDKXUJW-UHFFFAOYSA-N 368.440 4.859 0 40 FJAB C[C@@H]1[C@@H](c2ccccc2)O[C@H](c2ccccc2OC(=O)c2ccccc2)N1C 33349132 WESAJBQBYCQVNO-MQNAVGNWSA-N 373.452 4.996 0 40 FJAB biogenic O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)C1CCCC1 36356936 VTJFJHQZKPEHAM-UHFFFAOYSA-N 374.488 4.575 0 40 FJAB COc1ccc(Cl)cc1COC(=O)CCc1ccc2ccccc2n1 36757999 RNOVUZQGYUELLI-UHFFFAOYSA-N 355.821 4.573 0 40 FJAB CC[C@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)c1ccccc1 37132964 LPNCOWSARQBFKP-YJBOKZPZSA-N 357.523 4.507 0 40 FJAB CC(C)c1noc(CCCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)n1 40134255 HMQCWJDGTSVPCW-NRFANRHFSA-N 369.509 4.954 0 40 FJAB O=C(COc1ccccc1)Nc1ccc2nc(-c3ccccc3F)oc2c1 41085991 QNSLQWVBQOXWJS-UHFFFAOYSA-N 362.360 4.651 0 40 FJAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc2ccccc12 44949675 PAKIRDHZXMSLHF-FQEVSTJZSA-N 363.457 4.712 0 40 FJAB Cc1cccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCC3)c1 45933122 GPLFLSUTJGMLMO-UHFFFAOYSA-N 366.461 4.677 0 40 FJAB CCCn1ccc2cc(NC(=O)c3cnc4c(cnn4C(C)C)c3)ccc21 51421168 FRUOXQBMJNFRBD-UHFFFAOYSA-N 361.449 4.629 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCn2cccc2[C@@H]1c1ccccc1 51454223 GANKSERSBYTWJW-IBGZPJMESA-N 351.837 4.779 0 40 FJAB CCn1cc(NC(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)cn1 58006136 CETNWYMCTNKHAX-JOCHJYFZSA-N 374.488 4.933 0 40 FJAB CN(C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(F)c1)c1ccccn1 58282650 XGJYPSVDDLVZTR-LJQANCHMSA-N 353.372 4.613 0 40 FJAB CC(C)CC(=O)Nc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 58583183 VJBLDZZYPIOGNW-UHFFFAOYSA-N 355.478 4.793 0 40 FJAB CC(C)n1ncc2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cnc21 71887453 HICOWYFDXDJOBT-GOSISDBHSA-N 368.868 4.547 0 40 FJAB C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1csc(-c2ccsc2)n1 75107432 AKVTVCROHKQUPM-RDTXWAMCSA-N 368.527 4.819 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@H](Nc2ccccc2)C1 84017126 YRLYYKKZKGRWGC-SFHVURJKSA-N 366.896 4.521 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 89949345 FVQKAPXXFIHSGD-SJORKVTESA-N 374.481 4.820 0 40 FJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1nc(-c3ccccc3)cs1)CC2=O 100776093 FDXYOSKZQITBDY-PMACEKPBSA-N 354.475 4.534 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccs2)C[C@H](c2ccccc2)C1 102839807 VWXPNFPDQMVROO-YVEFUNNKSA-N 364.430 4.760 0 40 FJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 222884258 PUCYKLJZGUJFIK-VQTJNVASSA-N 368.550 4.771 0 40 FJAB CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccc2c(c1)CCCC2 223126934 MNMOUYACKCOPAS-NRFANRHFSA-N 351.490 4.829 0 40 FJAB Fc1cccc(F)c1NC(=S)NCCSCc1ccccc1Cl 225296568 NVUGWXDSTHWBIU-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB CCCCc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225781338 AVJAYUPSJWOGCT-UHFFFAOYSA-N 355.438 4.939 0 40 FJAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 226299181 NSRKCVBPOYVOAI-UHFFFAOYSA-N 367.246 4.951 0 40 FJAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257216091 CTBGYMXWFWKVQY-HXUWFJFHSA-N 364.420 4.772 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 408622701 QUZCBOBXKCJFAS-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB CC(C)C[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccccc4)coc3c21 524729372 QMBBQDBTDPTAOG-CQSZACIVSA-N 364.397 4.604 0 40 FJAB biogenic Cc1cccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1528557543 DZEOZSVPHMQNQH-FQEVSTJZSA-N 372.459 4.619 0 40 FJAB Cc1ccccc1CNc1ccccc1NC(=O)c1nccc2cccnc12 1597932435 NNUUNLRYIIWZFW-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1C 1775976244 WSQFCPFGPAZWAQ-IRXDYDNUSA-N 358.873 4.553 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 1326506 BDGGZCMSGJZXII-UHFFFAOYSA-N 372.831 4.767 0 40 FJAB Clc1cccc(-c2cc3nc4c(c(NCC5CC5)n3n2)CCCC4)c1 1341715 WJTVZQHGSKPNON-UHFFFAOYSA-N 352.869 4.750 0 40 FJAB C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 4097187 GPLGAQQQNWMVMM-QDSFDNPXSA-N 356.598 4.810 0 40 FJAB biogenic,in-vitro CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 5501287 BHXWFRBYASJFPM-UHFFFAOYSA-N 359.539 4.970 0 40 FJAB COc1cc(C(=O)Nc2ccccc2Cc2ccccc2)cc(OC)c1C 5950385 VQWBWRLUPCOIRG-UHFFFAOYSA-N 361.441 4.855 0 40 FJAB C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 6085788 DWGZGXDKJZPKLP-HNNXBMFYSA-N 358.869 4.803 0 40 FJAB Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1C 6479102 GMVRPRZXHUHSJZ-UHFFFAOYSA-N 359.425 4.552 0 40 FJAB CC(C)Cn1nc(NC(=O)C2CCCCC2)c2cc3ccccc3nc21 6785582 OWDUSYQZGTYDST-UHFFFAOYSA-N 350.466 4.759 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1N1CCCC1 7107193 GGFYZPQOFUPONC-UHFFFAOYSA-N 372.468 4.971 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c2ccccc12 8132508 UVBHXRVCVFUNEC-UHFFFAOYSA-N 355.459 4.520 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8275606 QPGJEROCDSAXFD-KRWDZBQOSA-N 372.852 4.870 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 8560699 GIPAEWDVDBHKBQ-UHFFFAOYSA-N 355.478 4.797 0 40 FJAB c1ccc(Cc2nn3c(Cc4cccs4)nnc3c3ccccc23)cc1 9418901 CUMBHAIFUBDTPP-UHFFFAOYSA-N 356.454 4.521 0 40 FJAB COc1cc(C(=O)c2cc3cc(Cl)ccc3o2)ccc1OC(F)F 11163770 DZMYJQPKKKYBNI-UHFFFAOYSA-N 352.720 4.927 0 40 FJAB COc1ccc(-n2ccnc2SCc2coc(-c3cccs3)n2)cc1 11395317 VNKQZXBSDQQUCW-UHFFFAOYSA-N 369.471 4.890 0 40 FJAB COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2OC)cc1 11916540 CHWBXRWJLCLIIY-UHFFFAOYSA-N 353.443 4.612 0 40 FJAB CC(C)Oc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1 12188684 ADDPXFXDULTSGX-UHFFFAOYSA-N 361.489 4.797 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2F)n(C2CCCC2)c1C 12603990 UEXNRBUICYSXQS-AWEZNQCLSA-N 361.486 4.873 0 40 FJAB Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@@H]4CCCC[C@@H]43)[nH]2)o1 14198059 VLVWGMXMHWHUKW-RAUBDSNISA-N 358.511 4.625 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CN2CCCCC2)cc1 17076372 VKCFSRWSKBENTE-UHFFFAOYSA-N 372.896 4.652 0 40 FJAB COc1ccccc1CN(C)C(=O)c1cccc(OCc2ccccc2)c1 18076095 UKXHRPUZXVRDFJ-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB Cc1ccc(-c2cc(C(=O)Oc3cccc(Br)c3)no2)cc1C 20896691 ASRMRZHTXJEQPO-UHFFFAOYSA-N 372.218 4.940 0 40 FJAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 21332853 NGXWPVAMWZBLFP-ZDUSSCGKSA-N 372.827 4.944 0 40 FJAB Cc1cc(C)c2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1 21447281 IDEFFGMWKQEAMY-UHFFFAOYSA-N 355.444 4.882 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CCc1ccccc1 21894807 INGYPPUDEBXZKA-HNNXBMFYSA-N 367.880 4.585 0 40 FJAB Cc1cc(OCC(=O)N(c2ccccn2)[C@@H](C)c2ccco2)ccc1Cl 32735953 OKLOQEVTFHCRMA-HNNXBMFYSA-N 370.836 4.810 0 40 FJAB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c[nH]c12 32789993 UBAIXTYOWAVMSE-SXGWCWSVSA-N 368.483 4.725 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)OC)c1 38753154 YPAQEIYOYCOTHP-INIZCTEOSA-N 363.866 4.636 0 40 FJAB CN(C)c1c(F)cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cc1F 56722939 HWPVNLJJNDZTSJ-SFHVURJKSA-N 374.435 4.575 0 40 FJAB COC(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1C 71851336 DQJNUSFQCZSIGZ-UHFFFAOYSA-N 359.425 4.630 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72214307 ZNEMIIZGZRDHHN-SFHVURJKSA-N 353.466 4.766 0 40 FJAB Cc1nn(C)c(C)c1[C@@H](C)NCc1cc2cc(Cl)c(Cl)cc2[nH]1 75093198 XVFZVEZAOSMSLH-SECBINFHSA-N 351.281 4.676 0 40 FJAB Cc1ccc([C@H]2CCCN2C(=O)c2ccn(-c3ccccc3F)n2)cc1C 84177758 LVCINJMQFNOQRE-HXUWFJFHSA-N 363.436 4.606 0 40 FJAB CC(=O)NCCCCCC(=O)O[C@H](c1c(Cl)cccc1Cl)C(C)C 89791412 MHLRAGRKDBXMAE-SFHVURJKSA-N 374.308 4.930 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccoc1)Cc1cccs1 90612155 GGSRRZAADGOUIQ-UHFFFAOYSA-N 361.850 4.846 0 40 FJAB O=C(NC1CC1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154460 CLICUYGUSGJESW-UHFFFAOYSA-N 361.426 4.511 0 40 FJAB Cc1ccc(NC(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)c(C)c1 96182158 VEYFTKOFPZIQPD-UHFFFAOYSA-N 351.450 4.510 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)nc1)C1(c2ccccc2)CCOCC1 97544728 GKAXNNPHMSPTPJ-UHFFFAOYSA-N 373.456 4.512 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1C 107822150 LRVHTAMHNDRULD-UHFFFAOYSA-N 372.896 4.965 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c(C)c1 219539379 HASLNIQRDKYSLQ-IBGZPJMESA-N 353.506 4.943 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222957231 BMANENVOCPVTAU-SFHVURJKSA-N 351.490 4.747 0 40 FJAB CCc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1 223418492 SLZVHWKSVZYLSC-UHFFFAOYSA-N 363.910 4.580 0 40 FJAB COc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1Cl 225286060 FZCXOCNWGDGKFM-UHFFFAOYSA-N 366.939 4.736 0 40 FJAB COC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 225446739 ALAVADRSFMYWRM-UHFFFAOYSA-N 350.443 4.950 0 40 FJAB Nc1ccc(Nc2cccc(Cl)c2Cl)c(C(=O)N2CCCC2)c1 225474865 UUMMIXDPWODASH-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccccc2)c1C 225481125 NCMUJSGMDZPABJ-KRWDZBQOSA-N 356.491 4.609 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1cccnc1-c1ccsc1 225646980 LVOQQMSFVOBCCE-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225737063 JVXYPIGNEFIMGN-IBGZPJMESA-N 371.905 4.535 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1conc1-c1ccccc1 225872533 ZPSDKVFOUITOFH-UHFFFAOYSA-N 354.409 4.861 0 40 FJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCC)c(C)c1 225906709 GCPFEUCEVOUPNR-UHFFFAOYSA-N 364.530 4.985 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C3CCOCC3)C2)n1 257296860 REQSIJQVUNWRST-KRWDZBQOSA-N 369.484 4.631 0 40 FJAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Cl)c1O 409104315 CRBZZWZOVHJXJL-WCIBSUBMSA-N 369.726 4.566 0 40 FJAB O=C(CCCn1cccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 524735661 QIBQBVBWULHVNE-QGZVFWFLSA-N 355.869 4.597 0 40 FJAB O=C(c1cnccc1Oc1ccccc1)N1CCC[C@H](c2ccccc2)C1 562120423 KNRMPWFHHGDESN-IBGZPJMESA-N 358.441 4.894 0 40 FJAB O=C(O)c1cc2cc(CN3CCC(c4cccc(F)c4F)CC3)ccc2o1 569493521 SGMQVCNEROECFL-UHFFFAOYSA-N 371.383 4.789 0 40 FJAB CCC(=O)Nc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1 888688 XRMOMMFKMUNAOA-UHFFFAOYSA-N 358.492 4.536 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)[nH]1 1355712 UUHRDBUSGYEVIR-DOMZBBRYSA-N 363.914 4.517 0 40 FJAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC(C)C 1927314 QKENQYFBMURDKZ-UHFFFAOYSA-N 361.463 4.585 0 40 FJAB S=C(Nc1ccc(Cn2cccn2)cc1)Nc1cccc2ccccc12 2809053 SJPUUGWPQIVKAN-UHFFFAOYSA-N 358.470 4.894 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(F)cc3)cc12 3235980 VECQNOOIJIBDLA-UHFFFAOYSA-N 369.396 4.926 0 40 FJAB O=c1oc2ccccc2cc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 3583571 SYUQMGULFGHVPY-UHFFFAOYSA-N 358.275 4.529 0 40 FJAB CCOC(=O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12 3646853 GLIAXEBFJBXMHD-UHFFFAOYSA-N 364.426 4.698 0 40 FJAB COc1ccccc1[C@H]1SC(c2ccccc2)(c2ccccc2)OC1=O 4127707 MLFQLZHOVVPFAF-HXUWFJFHSA-N 362.450 4.928 0 40 FJAB O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC1 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VDIXDGAAIXDGKI-ZDUSSCGKSA-N 353.344 4.625 0 40 FJAB CSc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 408593534 AUBLMNXARLUONT-UHFFFAOYSA-N 371.314 4.842 0 40 FJAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(Br)cc2)c1 408783686 OMLMDNQUSWWZAO-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)CC1 653146679 FESWXQIHNQVQDK-GUMHCPJTSA-N 373.541 4.596 0 40 FJAB O=C([C@@H]1CCCc2ccccc21)N1CCOc2ccc(C(F)(F)F)cc21 1532596436 YSNBONGPRKVJIX-MRXNPFEDSA-N 361.363 4.551 0 40 FJAB Oc1ccc(Cl)c(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 1559745556 VFSXINKGZQNNSF-KRWDZBQOSA-N 371.786 4.638 0 40 FJAB COc1cc(C)c(Cl)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 1776003989 IMFZMBPXGMIPEB-UHFFFAOYSA-N 368.882 4.857 0 40 FJAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C)C2 837712 XBFVJXGHVAONDV-JTQLQIEISA-N 362.882 4.737 0 40 FJAB CCCCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1829741 BHWJEAFQJWQLOS-XZOQPEGZSA-N 353.506 4.779 0 40 FJAB O=C(CSCc1ccccc1Cl)NCCc1ccc(Cl)cc1 3031822 MQEDLAVWUJDGSN-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB S=C1NCCN1c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 3190970 DHPSWIUCRYXBIY-UHFFFAOYSA-N 350.485 4.648 0 40 FJAB COc1cccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 4330892 XRWSYDKEDSNGEQ-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 4979455 OVOYWHQIIPVUSE-DXCKQFNASA-N 370.848 4.640 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1Cl 5279655 VOYZSIHUVMXVKV-UHFFFAOYSA-N 362.813 4.864 0 40 FJAB Fc1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 6098368 MLDWQUCNSFJGQF-UHFFFAOYSA-N 360.483 4.559 0 40 FJAB CC(=O)c1cccc(NC(=O)Nc2c(F)cc(F)cc2Br)c1 6297723 PICOEWGNXXURBL-UHFFFAOYSA-N 369.165 4.574 0 40 FJAB COc1ccc(C)cc1NC(=O)CSc1cc(C)c2ccccc2n1 6623615 NJXZGCBBUGIQSK-UHFFFAOYSA-N 352.459 4.591 0 40 FJAB CCOC(=O)c1cnc2cc(-c3ccccc3)nn2c1-c1ccc(C)cc1 6656161 YFOFYPZVMBTIEO-UHFFFAOYSA-N 357.413 4.548 0 40 FJAB CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)c2cccc(C)c2)c1 7737775 JYXCGYOOCAFTEB-UHFFFAOYSA-N 373.452 4.810 0 40 FJAB O=C1S[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 9189336 IDRLSHNSRXQYAY-CYBMUJFWSA-N 353.230 4.631 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2cn3ccccc3n2)cc1 10321866 TWMLQFQSIHGDEY-UHFFFAOYSA-N 366.424 4.664 0 40 FJAB CN(CCC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 12522949 QBVPKQXDFKQZAE-UHFFFAOYSA-N 362.477 4.616 0 40 FJAB CSc1nc(C)c(CC(=O)NC(c2ccccc2)c2ccccc2)s1 12781905 BJNAGZYMEBCXAI-UHFFFAOYSA-N 368.527 4.622 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2Cl)cc1 12912960 YXYRNUZCPFNRAN-HXUWFJFHSA-N 372.896 4.904 0 40 FJAB O=C(COc1cccc2ccccc12)Oc1ccc(Br)cc1 13137606 LTFUSZZZZDIUTB-UHFFFAOYSA-N 357.203 4.587 0 40 FJAB O=C(CSCc1cccs1)Nc1nc2c(s1)COc1ccccc1-2 14019461 TUPALBPHJLRPAL-UHFFFAOYSA-N 374.512 4.636 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1cc(Br)ccc1Cl 15967061 PGPDXGYTKCHJLA-JTQLQIEISA-N 368.658 4.602 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccnc2)cc1 16499715 SYITUZAHIUHKPU-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c1 20043411 KZSSNIATJARGQG-QFIPXVFZSA-N 363.457 4.712 0 40 FJAB C[C@@H](c1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 20610258 UMKDGGJRDWHREM-HNNXBMFYSA-N 361.441 4.585 0 40 FJAB biogenic CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccco4)cc3n2)cc1 20611223 DJALXNKLAFNTFG-ZHACJKMWSA-N 372.428 4.536 0 40 FJAB CC(=O)Oc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)cc1 25281871 ZEHQXUVDBJVZET-QHCPKHFHSA-N 373.452 4.748 0 40 FJAB CN(CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCc2ccccc21 29487171 CNOBJZSBJAASGU-MRXNPFEDSA-N 362.445 4.559 0 40 FJAB CCN1C(=O)S/C(=C/c2cccc(OCc3ccc(C)cc3)c2)C1=O 35042091 WARBFKVOOXWJQZ-LDADJPATSA-N 353.443 4.630 0 40 FJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 37210487 KYAVDHQOFHWPNM-HXUWFJFHSA-N 368.527 4.704 0 40 FJAB C[C@H](O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 39210059 AMCBMIZVYBLKQA-IBGZPJMESA-N 354.453 4.777 0 40 FJAB CCSc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 44875487 YRQRWXLDVFXGSC-UHFFFAOYSA-N 368.546 4.715 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2ccco2)oc1=S 58160884 JLTFQKMPVYEHEN-UHFFFAOYSA-N 369.368 4.574 0 40 FJAB CCn1c(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc21 58300396 PJTHPBKNYBVLGY-CSKARUKUSA-N 374.271 4.693 0 40 FJAB CC(=O)Nc1cccc2c1N(Cc1csc(-c3ccccc3)n1)CCC2 64430733 WVPTZHPHFKLEPX-UHFFFAOYSA-N 363.486 4.721 0 40 FJAB C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(NC(=O)C2CCCCC2)CC1 65962851 XFJKBTQYCSHWNE-AWEZNQCLSA-N 366.908 4.701 0 40 FJAB O=C(C1CCCC1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349643 UABOFKOQPMLVFD-UHFFFAOYSA-N 366.480 4.708 0 40 FJAB CCC(=O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509784 TYIAQXVSIVSTET-UHFFFAOYSA-N 352.228 4.780 0 40 FJAB CCOc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218933158 LQNRNFABUSKZKS-UHFFFAOYSA-N 369.505 4.511 0 40 FJAB COC(=O)c1cn(C(=O)[C@H](C)Sc2ccc(Cl)cc2)c2ccccc12 222569777 YGIUUUCNPRJMHC-LBPRGKRZSA-N 373.861 4.902 0 40 FJAB CSc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222585087 YRPOEPYEQWHXGU-UHFFFAOYSA-N 353.422 4.565 0 40 FJAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224655564 CNWPEHZISZQRQI-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(OC)c(C)c1 225008255 VCSUASYQNYSBND-HXUWFJFHSA-N 363.457 4.803 0 40 FJAB Cc1ccc(S[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225066923 ITRCSGJVWVJHBX-HNNXBMFYSA-N 351.265 4.546 0 40 FJAB CC[C@@H](C)Oc1c(Br)cc(Br)c2cccnc12 225392202 OANUMLCKUSJYLH-MRVPVSSYSA-N 359.061 4.937 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1C 225543088 UIURRSJCHGLXSH-UHFFFAOYSA-N 363.910 4.710 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 260836847 AIDUKOIYYZHCTM-RBUKOAKNSA-N 364.533 4.972 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)c(C)n1 408623992 WDNSVJOOBYYLDU-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1csc2ccccc12 575621397 NXSVVHWCUDGWGT-ZDUSSCGKSA-N 364.923 4.649 0 40 FJAB Cc1ccnc2ccc(C(=O)NCc3cccnc3-c3cccs3)cc12 585350013 CGLPYVBSMONROY-UHFFFAOYSA-N 359.454 4.597 0 40 FJAB CC[C@H](C)n1ncc(NC(=O)c2ccc(F)c3ccncc23)c1C1CC1 613123350 OTFHJJMLSZJMKI-LBPRGKRZSA-N 352.413 4.671 0 40 FJAB Cc1cc(C(=O)N2CCc3ccccc32)nn1-c1ccc(Cl)cc1Cl 1524228933 QQDJYUMUNVWWEM-UHFFFAOYSA-N 372.255 4.690 0 40 FJAB O=C(c1ccccc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 633728 PIFUCUFMJNEHLK-HXUWFJFHSA-N 360.844 4.984 0 40 FJAB CC(C)COc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1245233 ULUIIUNAFOLEOS-QFIPXVFZSA-N 351.490 4.784 0 40 FJAB C[C@@H]1CC=C2C(=C(Nc3cccc(F)c3)C(=O)N2c2cccc(F)c2)C1 1424279 YNMQFDFDAJEDMS-CYBMUJFWSA-N 352.384 4.991 0 40 FJAB O=C(NC1CCCCC1)C(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl 1567919 YQAKXHLEJNQHHC-UHFFFAOYSA-N 369.075 4.932 0 40 FJAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cccc(Cl)c1 2580964 BITLFFDWVWGZFR-HXUWFJFHSA-N 372.896 4.746 0 40 FJAB O=C1O[C@](Oc2cccc3cccnc23)(c2ccccc2)c2ccccc21 2746101 WLISZKJCOSQAAA-HSZRJFAPSA-N 353.377 4.685 0 40 FJAB CCc1ccc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)cc1 2787349 ZJTMZECPQYOXBM-UHFFFAOYSA-N 366.209 4.967 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1 3503850 WTESJQJLUDPVJK-GFCCVEGCSA-N 356.472 4.618 0 40 FJAB O=C1CCC[C@H]1Sc1nnc(Cc2cccs2)n1C1CCCCC1 3561456 DJDODPYITUOCJD-MRXNPFEDSA-N 361.536 4.649 0 40 FJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1Cl 4033085 PIOGBYKQSOHOIG-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 4262865 DRXBZERCJBVLFY-BZZOAKBMSA-N 370.408 4.926 0 40 FJAB Cc1cc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2)no1 5282050 DQWGNVRQLGEMNX-UHFFFAOYSA-N 357.793 4.572 0 40 FJAB CC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2Cl)c1 6297751 OMJQOKGGELDBLY-UHFFFAOYSA-N 367.630 4.949 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C1=O 6655215 WNNZDDDVQQZUPC-XYOKQWHBSA-N 360.262 4.838 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1 6788554 XFFOBYXWCSCZQG-CYBMUJFWSA-N 368.458 4.605 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c(OC)c1 6952549 MPLFFTOVZRJSIR-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2ccccc2C)c2cccs2)cc1 7739893 MHCSARODVFSFHQ-OAQYLSRUSA-N 351.471 4.650 0 40 FJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(F)c(F)cc1Cl 7797827 OEKYLOFXYYBEBG-UHFFFAOYSA-N 364.804 4.918 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1nc(-c2ccc(Cl)cc2)cs1 7808197 HUVWALOKFCIKDG-UHFFFAOYSA-N 369.833 4.786 0 40 FJAB CC(C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 7968975 GNGXXHUHVBIDLP-UHFFFAOYSA-N 366.230 4.729 0 40 FJAB Cc1ccc(C(=O)[C@@H](OC(=O)COc2ccccc2)c2ccc(C)cc2)cc1 7988790 VSJWZAZUIZVCHP-DEOSSOPVSA-N 374.436 4.850 0 40 FJAB O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccccc1 8434701 UXOZLQUSVPBIQN-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c(O)c1 9112720 STUJRLPRVKBJSN-UHFFFAOYSA-N 350.418 4.544 0 40 FJAB COc1ccccc1NC(=O)Cc1csc(-c2ccc(C)cc2C)n1 9366173 WNRGPUPTADMKTR-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11073369 LEZRTEUZQKTGFV-KRWDZBQOSA-N 360.457 4.560 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 11427470 CURWMTRBZIDLOO-UHFFFAOYSA-N 372.881 4.517 0 40 FJAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Cl 12770469 YGPLSIKEHPJBME-CYBMUJFWSA-N 372.877 4.867 0 40 FJAB Cc1ccccc1NC(=O)Cc1nc(CN[C@H](C)c2cccs2)cs1 12794504 RVFMLLRUSPKZIG-CQSZACIVSA-N 371.531 4.545 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3cc(F)ccc3C)c2)cs1 12976303 JMNHCDRLNQEEDG-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(C)c(F)c3)ccc2c1 12995303 OKVISHGLXYLQKO-OAHLLOKOSA-N 351.421 4.716 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c(F)cccc1Cl 15981059 DJNIMXHFHNULHT-WWGRRREGSA-N 370.848 4.640 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20141444 ZCYDVEGTKFSFFX-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2[nH]1 24028940 NSDVIVQPKVZSBM-UHFFFAOYSA-N 361.426 4.734 0 40 FJAB c1ccc(Nc2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1 25678595 UEKYAFBUAOHHFO-UHFFFAOYSA-N 355.448 4.557 0 40 FJAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3Br)cc2c1 25765168 LRRXXOBWVWLPBD-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1C 26548139 KMKBKJHYGQFYON-UHFFFAOYSA-N 368.458 4.637 0 40 FJAB COc1ccccc1NC(=O)c1oc2cc(Br)ccc2c1C 27755702 LZIHMDCQCMPNOJ-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 30117189 FIRBEPZVQHBNQW-CYBMUJFWSA-N 351.368 4.524 0 40 FJAB CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O 31903436 BMQOBXVQFNXLFD-FQEVSTJZSA-N 369.468 4.574 0 40 FJAB C[C@@H]1CC(=O)c2c(OCc3nc(-c4ccc(Cl)cc4)no3)ccc(F)c21 32814298 WLRNEMKQUDQNFZ-SNVBAGLBSA-N 372.783 4.798 0 40 FJAB Cc1cc(C)cc(NC(=O)c2nc(NCc3ccccc3)ncc2Cl)c1 32932014 FQPTXRCLRFSBOR-UHFFFAOYSA-N 366.852 4.611 0 40 FJAB Oc1ccccc1-c1nc(/C=C\c2ccccc2F)nn1-c1ccccc1 33248858 SHUBZPZJNCKFAI-PFONDFGASA-N 357.388 4.949 0 40 FJAB O=C(CCCc1cccs1)NCc1ccnc(Oc2ccccc2)c1 36394345 QNQTUCNRAGVCRC-UHFFFAOYSA-N 352.459 4.575 0 40 FJAB CCc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 45890391 MRAPKIPAVDJBMF-UHFFFAOYSA-N 367.276 4.772 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)Cc3cccc4cccnc34)ccc2o1 46393205 LQSGNLOJGZEDDA-UHFFFAOYSA-N 359.429 4.855 0 40 FJAB O=C(Nc1ccc(-c2csc(-c3cnccn3)n2)cc1)c1ccccc1 58357043 KUHCZHVSVKVAMN-UHFFFAOYSA-N 358.426 4.519 0 40 FJAB COc1ccc(N(C(=O)c2ccc(Cl)nc2Cl)[C@H](C)C2CC2)cc1 60306541 WCIGHHFOLOGJSV-LLVKDONJSA-N 365.260 4.842 0 40 FJAB 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FJAB CC(C)Oc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223516931 GKTKJFMJRSSCCT-UHFFFAOYSA-N 373.865 4.898 0 40 FJAB COc1ccc(CCC(=O)NCCCc2ccc(C(C)C)cc2)cc1C 224935489 RCDOEQAXNJHDBB-UHFFFAOYSA-N 353.506 4.809 0 40 FJAB COc1cccc(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225335101 OEOPWXKEEMYCDF-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(C(C)C)cc3)n2)cc1 225815888 MFDLEBLESIJYNJ-UHFFFAOYSA-N 366.490 4.655 0 40 FJAB Cc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2cccnc2)cn1 257222961 DVHMKQGTRVLBBN-HXUWFJFHSA-N 359.477 4.651 0 40 FJAB CCN(CC)[P@]1(=O)C=C(C)[C@H]2[C@H]3C(C)=C[C@H]([C@@H]21)[P@]3(=O)N(CC)CC 301054479 SUVFJOAJVBACKK-WUKPQLCTSA-N 370.414 4.839 0 40 FJAB Cc1csc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 1615155189 IFXRAAGFHJVOSX-QAPCUYQASA-N 372.509 4.715 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)cc1 1666294812 ZVNDLLSEUYHTQL-DYESRHJHSA-N 357.519 4.767 0 40 FJAB O=C(NC[C@H]1CCC[C@H]1c1ccccc1)N1CCc2ccc(Cl)cc21 1682681595 HPZWITJSJPLSOY-MJGOQNOKSA-N 354.881 4.996 0 40 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CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 8739840 XPCNVFJVDPRWGS-UHFFFAOYSA-N 355.438 4.894 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 9164744 MJOUHFXQYUEZJU-UHFFFAOYSA-N 364.489 4.881 0 40 FJAB Cc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 9379725 FWZMNSKZCWHCAA-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB CCn1ncc2c(C(=O)Nc3cc(C)ccc3F)cc(-c3ccccc3)nc21 11477278 BKLVMLGHNHGAHL-UHFFFAOYSA-N 374.419 4.818 0 40 FJAB COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1 11917173 YGZWTHHLAGEERW-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB O=C1C[C@@H](c2ccccc2OCc2ccccc2F)c2sccc2N1 12375575 FAYMAGOCOMTTNY-HNNXBMFYSA-N 353.418 4.940 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)CSC2=NCCS2)cc1 12623074 FSCGMWGXXHAKGU-UHFFFAOYSA-N 358.488 4.562 0 40 FJAB CCOc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)cc1 12746021 JXJZERGAMLCVNH-UHFFFAOYSA-N 360.457 4.728 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCSc2ccccc2)cc(C)c1Cl 14396743 NRMGWBWGFNZORR-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB Cc1c(C(=O)O)cccc1-c1ccc(CNCCc2ccc(Cl)cc2)o1 20295574 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CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC)cc1OC 222908310 PRAMXTADNTYOKG-IBGZPJMESA-N 371.477 4.797 0 40 FJAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)cc1C 225051806 ULYKWSIQHCAIGR-NRFANRHFSA-N 351.490 4.619 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225477320 DQTDXTKERSPXAA-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB COc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1OC 225849888 XRDDTNDPCMRPJB-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OCC)c3ncccc23)CCCCC1 225909882 PAOVBFFAFLISDR-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 257264181 LTGDBMFSNIFRGU-NRFANRHFSA-N 373.460 4.567 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccn(-c4ccccc4)c3)N21 260777630 QFAVEENCTTUDON-QMMLZNLJSA-N 374.513 4.852 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408705291 BMQIUKYTTHCYGL-GOSISDBHSA-N 363.432 4.822 0 40 FJAB CCOc1ccccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409125410 FHRNRTHBAJKSPR-XDJHFCHBSA-N 367.470 4.754 0 40 FJAB 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O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccc(Cl)cc1 6270496 XYHIHLMHESTSPI-UHFFFAOYSA-N 374.874 4.904 0 40 FJAB Cc1ccc(NC(=O)CSCc2nc3cc(Cl)ccc3[nH]2)cc1C 6566997 IGMCIHURZBJBFG-UHFFFAOYSA-N 359.882 4.705 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1C 8041729 KUZRXFPYXVFMCK-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB CCOc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 8739288 QYMWIELYCOXWPV-UHFFFAOYSA-N 374.853 4.901 0 40 FJAB CCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)o1 9707681 RCXBEGSZKBWWRM-UHFFFAOYSA-N 359.838 4.754 0 40 FJAB Cc1ccc2oc(C(=O)Nc3nc(-c4cccs4)ns3)c(C)c2c1 11914368 LPPXYUSJMBIJJJ-UHFFFAOYSA-N 355.444 4.882 0 40 FJAB COCCCN(CC1(c2ccc(Cl)cc2)CC1)[C@@H](C)c1ccccn1 12364482 MBWFCUSAWYWLEQ-KRWDZBQOSA-N 358.913 4.866 0 40 FJAB C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 12533320 QZDQWCPCCJBPIT-CYBMUJFWSA-N 357.251 4.955 0 40 FJAB Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 12792288 MAMVTFLFKMVADO-UHFFFAOYSA-N 361.376 4.898 0 40 FJAB COc1ccc([C@@H](CNC(=O)CC(C)(C)C)c2c[nH]c3ccccc23)cc1 12807449 AKJWUOQPIRMZLX-LJQANCHMSA-N 364.489 4.861 0 40 FJAB Cc1cccc2cc3c(nc12)OCCN(CCc1ccc(Cl)cc1)C3 13563765 QUJZKDPVNVUWJB-UHFFFAOYSA-N 352.865 4.634 0 40 FJAB Fc1ccccc1OCCSc1nnc(-c2ccccc2F)n1C1CC1 14083081 KYMFMRBJQCKLTB-UHFFFAOYSA-N 373.428 4.729 0 40 FJAB Cn1c(-c2cccs2)nn(CN2CCC[C@@H]2c2cccs2)c1=S 14166347 VYOWGKNYESAVJU-GFCCVEGCSA-N 362.549 4.536 0 40 FJAB Cc1cccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1C 15964225 JZCSYVUTVUZVIE-UHFFFAOYSA-N 363.288 4.573 0 40 FJAB Fc1ccccc1CCNCc1cccc(OCc2ccccc2F)c1 16449556 UHPKJXCFYUPZIB-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB Cc1cccc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)c1 19234994 GVDKEAARUPLPPA-IBGZPJMESA-N 350.466 4.717 0 40 FJAB CCCCCOc1ccc(C(=O)[C@@H](c2ccccc2)N2CCOCC2)cc1 19313965 COTZOGYYCRNCHZ-JOCHJYFZSA-N 367.489 4.512 0 40 FJAB C[C@H]1c2ccsc2CCN1Cc1cccc(OCc2ccccn2)c1 19498367 ZBUWOMBQAVWIHY-INIZCTEOSA-N 350.487 4.841 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 20108846 ITSZIQIVKITOJI-FQEVSTJZSA-N 374.912 4.978 0 40 FJAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1NCc1ccccc1 20158921 YWOAWFNZYDOKRA-CYFREDJKSA-N 370.496 4.952 0 40 FJAB O=C1CCCc2nn(-c3ccccc3)c(-c3cccc(Br)c3)c21 20674315 GQJZBQQVKJLUGN-UHFFFAOYSA-N 367.246 4.821 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(OC)cc1 22531701 VAXRETSKYPVYPO-JXFKEZNVSA-N 355.478 4.853 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCCCOC3CCCCC3)ccc2c1 24982282 KZGBRCIGEDWFSJ-QGZVFWFLSA-N 369.505 4.808 0 40 FJAB C[C@@H](C(=O)N[C@H](c1ccccc1)c1cccs1)n1cnc2ccccc21 31836210 UMWCYDBJLHZCBA-MGPUTAFESA-N 361.470 4.565 0 40 FJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2c[nH]nc2C(C)(C)C)cc1 40156411 BVDTXWVAFGGUFN-OAQYLSRUSA-N 374.488 4.782 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)[C@@H]1CCSC1 46291234 XIXOEADKLVMJQB-CQSZACIVSA-N 367.301 4.536 0 40 FJAB CCCCc1ccc(-c2csc(NC(=O)C3(C)CCOCC3)n2)cc1 58363504 PWGVNJYSLBABKS-UHFFFAOYSA-N 358.507 4.908 0 40 FJAB CC(C)(CNC(=O)c1ccc(Oc2cccnc2)cc1)c1ccccc1F 60338103 AKFAGGHCSUASOM-UHFFFAOYSA-N 364.420 4.721 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 170189138 WSKQPRNUSIKIDS-UHFFFAOYSA-N 359.469 4.911 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219330029 VVKCVOGRYSHXQG-WOJBJXKFSA-N 367.489 4.879 0 40 FJAB C[C@H](NC(=S)Nc1ccc(N2Cc3ccccc3C2)nc1)c1ccccc1 223958543 CSRGIVQULJQRKZ-INIZCTEOSA-N 374.513 4.649 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(C)cc1 224058872 CKORGAALDVLGCX-JOCHJYFZSA-N 351.490 4.690 0 40 FJAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccc(C(C)(C)C)cc1 225244961 AVEJXXRIPYICNE-CPNJWEJPSA-N 369.534 4.522 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(Cl)cc1 225309879 GRSABBLFYRXAOO-GOSISDBHSA-N 373.880 4.700 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(C)cc1C 225715946 OZFKGMUZYMHKDM-GOSISDBHSA-N 356.491 4.528 0 40 FJAB Cc1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)c(C)c1 408532444 MRKLEMMFGSEVRZ-UHFFFAOYSA-N 370.452 4.857 0 40 FJAB Cc1ccccc1CN(c1ccccc1F)S(=O)(=O)c1ccccc1 408627422 MGDDTEZBZVFTAI-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB Cc1ccc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)cc1Cl 409207328 VINOJBQQOTWNGR-XDOYNYLZSA-N 368.889 4.555 0 40 FJAB CN(CCCc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 544071284 FYDNFUUZKZJZBQ-UHFFFAOYSA-N 370.924 4.509 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1Cl 675008306 PYJVDPXUXDFWQZ-AWEZNQCLSA-N 363.891 4.593 0 40 FJAB CC[C@@H]1CCc2nc3sc(C(=O)c4ccccc4OC)c(N)c3cc2C1 661997 MSEIELMXRFHCEK-GFCCVEGCSA-N 366.486 4.633 0 40 FJAB COc1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2245962 BVBNYCXZASNHGC-UHFFFAOYSA-N 366.424 4.703 0 40 FJAB COc1ccccc1NC(=O)c1oc2ccc(Br)cc2c1C 2623566 OWCYMAVDFFMVMX-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB C/C(=C\c1ccc(N=[N+]([O-])c2ccc(/C=C(\C)C(=O)O)cc2)cc1)C(=O)O 3848661 RJTGTIAFUNVMMN-KERUWVNQSA-N 366.373 4.588 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1 4525883 UXQBIECXIXQNQB-UHFFFAOYSA-N 355.522 4.699 0 40 FJAB COc1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 4689112 OSNJJMFHIADUKS-UHFFFAOYSA-N 360.624 4.673 0 40 FJAB CCCCCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887747 KDJMVGDPIDRSFZ-BVSLBCMMSA-N 350.458 4.876 0 40 FJAB COc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)cc1 5023163 ZMVFZYCRALQSAH-UHFFFAOYSA-N 374.849 4.843 0 40 FJAB CCCCn1c2ccc(C)cc2c2nnc(SCCN(CC)CC)nc21 5478154 JPQQXFIVFHMIAP-UHFFFAOYSA-N 371.554 4.522 0 40 FJAB CN(CCO)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523453 UECLURWYVDFIRG-UHFFFAOYSA-N 357.415 4.933 0 40 FJAB S=C(S)Nc1ccc(Cc2ccc(NC(=S)S)cc2)cc1 6535792 CMEAOZUYQANITJ-UHFFFAOYSA-N 350.559 4.531 0 40 FJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21 7343468 ILJUOIIVOUEDMF-UHFFFAOYSA-N 366.273 4.611 0 40 FJAB COc1ccc2c(/C=C/c3cc[n+](C)cc3)cn(Cc3ccccc3)c2c1 9341711 DBOMXRRSCBYLGJ-UHFFFAOYSA-N 355.461 4.693 0 40 FJAB COc1ccccc1CC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 9513825 KSPDQSLYBZRXEV-XMMPIXPASA-N 371.436 4.890 0 40 FJAB CN(C)Cc1ccccc1CNC(=O)c1sc2ccccc2c1Cl 9917237 GNVNVZVSFFPJNF-UHFFFAOYSA-N 358.894 4.546 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 10260382 YEDZEHGCBCYRGT-UHFFFAOYSA-N 354.841 4.628 0 40 FJAB CCOc1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 10448524 RDFCFDVYGOHWLB-HAVVHWLPSA-N 357.453 4.942 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 12766625 SJWZEJXWCCHUIY-OAQYLSRUSA-N 363.457 4.756 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12772185 HFYLDPQGHHRWDD-HNNXBMFYSA-N 364.470 4.834 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)cc3F)cs2)cc1 12774339 DPXDVBRMZHWRBM-UHFFFAOYSA-N 360.385 4.561 0 40 FJAB Clc1ccccc1-c1nc(COc2ccccc2Br)no1 12780204 ONJGSERRRVYWDR-UHFFFAOYSA-N 365.614 4.732 0 40 FJAB COc1cc(OC)cc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)c1 12788510 SQMDGUDVMBFNGP-UHFFFAOYSA-N 369.808 4.654 0 40 FJAB COc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 12901742 FLCXXNHZWXPNAG-XNTDXEJSSA-N 372.399 4.704 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12984639 LWRUTIYEELNMQR-OXQOHEQNSA-N 351.471 4.730 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12984640 LWRUTIYEELNMQR-OXJNMPFZSA-N 351.471 4.730 0 40 FJAB O=C(Nc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1)c1ccccc1 13535144 TWVTXXGSQOTZHZ-UHFFFAOYSA-N 372.453 4.849 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 14796166 NVYOYUKQZRBWDC-XTZCOPOCSA-N 356.853 4.520 0 40 FJAB CCCn1ncc(CN(Cc2ccccn2)Cc2ccccc2Cl)c1C 19525924 MTKUTQAZNVNNCC-UHFFFAOYSA-N 368.912 4.852 0 40 FJAB Cc1cc(C)n(C2CCN(Cc3ccc4cccc(Cl)c4n3)CC2)n1 19658974 PNKROPBKEAMDET-UHFFFAOYSA-N 354.885 4.539 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 21601284 NJXZRWSHLALXNF-CQSZACIVSA-N 371.893 4.704 0 40 FJAB CN(C(=O)/C=C/c1ccc(Br)s1)[C@@H]1CCc2ccccc21 27821011 PQGQSUNBFAYAMY-KUCQQTCKSA-N 362.292 4.670 0 40 FJAB Clc1ccccc1Cn1cc(CNC[C@@H]2CCCO2)c2ccccc21 28428031 BXGBSOJSHQQDQO-SFHVURJKSA-N 354.881 4.612 0 40 FJAB COCCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 28719724 PZFKUWSAZMLBQW-UHFFFAOYSA-N 370.474 4.770 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(CC)cc1 38500937 LKZYRNAPGRZHRE-UHFFFAOYSA-N 367.424 4.615 0 40 FJAB CCc1cccc(Nc2c(C(=O)N(CC)CC)cnc3nc(C)ccc23)c1 49005569 OMKRDNDVLPTHAS-UHFFFAOYSA-N 362.477 4.726 0 40 FJAB FC(F)(F)c1ccccc1-n1cc(-c2cnn(Cc3ccccc3)c2)cn1 49592525 BTHBNSYQPTZKJT-UHFFFAOYSA-N 368.362 4.803 0 40 FJAB Cc1cccc(Oc2ncccc2NC(=O)Cc2noc3ccccc23)c1C 55828169 DWEBMZFXJXOUDD-UHFFFAOYSA-N 373.412 4.813 0 40 FJAB CC(C)Oc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72211990 VFSKDWJFAMFXAZ-LJQANCHMSA-N 354.450 4.733 0 40 FJAB CCN(CC)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1N 72229324 PTAXIYNQJHGZKD-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB CC[C@](C)(NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(F)(F)F 72298243 ZUPHQPDERJWJRU-HNNXBMFYSA-N 360.376 4.718 0 40 FJAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 72349637 JVLKLYLJCWWFJB-UHFFFAOYSA-N 362.517 4.877 0 40 FJAB Cc1ccc2c(CC(=O)Nc3cccc(Br)c3)coc2c1C 72427685 DLJAAKAVGBSFBM-UHFFFAOYSA-N 358.235 4.993 0 40 FJAB CCCn1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cn1 80730472 ZFUUKYADHDCALM-UHFFFAOYSA-N 360.870 4.631 0 40 FJAB Cc1ccc(C)c2c(C)c(C(=O)NCCc3coc(-c4ccccc4)n3)oc12 84147916 WIDAQLPTDABREU-UHFFFAOYSA-N 374.440 4.986 0 40 FJAB Cn1cccc1[C@@H]1CCCN1C(=S)Nc1cccc(C(F)(F)F)c1 84321850 RTVUFCXKEPLCFK-HNNXBMFYSA-N 353.413 4.578 0 40 FJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@H]1c1ccco1 84432146 YVYLUAMOYLNNLP-QZTJIDSGSA-N 353.368 4.567 0 40 FJAB CCC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21 100758649 DXVUAPWZLBEGEU-XJNFMUPTSA-N 362.256 4.641 0 40 FJAB O=C(c1ccc2ccccc2n1)N1CCC(Oc2ccc(Cl)cc2)CC1 117171054 GXMLBTIYMYMWRJ-UHFFFAOYSA-N 366.848 4.572 0 40 FJAB Cc1nc(C2CC2)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 222564816 OFTZAYQMKFUZMK-UHFFFAOYSA-N 355.747 4.587 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCCSc1ccc(Cl)cc1 222831659 LUDFKPVUXMZXDJ-UHFFFAOYSA-N 371.889 4.781 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)c1 225219822 JBOHGNJKCPWCFF-RBUKOAKNSA-N 369.505 4.778 0 40 FJAB O=C(CSCc1c(F)cccc1Cl)NCCSC1CCCC1 225826927 UCXVUQRVSIQDHC-UHFFFAOYSA-N 361.935 4.504 0 40 FJAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc21 409237828 JVZQRHGGYLBOOA-CRRKTRLDSA-N 372.490 4.685 0 40 FJAB O=C(NCC1(c2cccc(F)c2)CCCCC1)[C@@H]1CCCC(F)(F)C1 622329425 LTHNBTXNNOMELG-OAHLLOKOSA-N 353.428 4.969 0 40 FJAB COC(=O)[C@H](CC(=O)c1cccc(C)c1)c1ccc(Cl)cc1Cl 1397642 BUKIGRUXKHXWSE-OAHLLOKOSA-N 351.229 4.831 0 40 FJAB CCN(C(=O)CCCCC(=O)N(CC)c1ccccc1)c1ccccc1 1803569 LBSVIAYCHMFTBX-UHFFFAOYSA-N 352.478 4.653 0 40 FJAB CCCOC(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2C)c1 1913952 AMWDYFGMVJZBTR-UHFFFAOYSA-N 369.461 4.668 0 40 FJAB Cc1cccc(-c2nsc(SCC(=O)Nc3cccc(C)c3C)n2)c1 2917503 ZXIJRWRKFWUTKN-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB CC1CCN(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 3325072 ZNLUFHCQFGLOLY-FQEVSTJZSA-N 361.570 4.872 0 40 FJAB Cc1ccc(-n2nnnc2SCc2ccccc2C(F)(F)F)c(C)c1 3368126 VFFQQBRWJZAJGQ-UHFFFAOYSA-N 364.396 4.590 0 40 FJAB Clc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 3495528 SXLNGOXKXFLJLQ-UHFFFAOYSA-N 361.879 4.769 0 40 FJAB COc1ccc([C@@H]2CC(=O)C[C@H]3CCCCN23)cc1OCc1ccccc1 3847176 DSKCHQXVNIWUAV-CTNGQTDRSA-N 365.473 4.533 0 40 FJAB biogenic COc1cccc(/C=C/[C@@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)c1 4000146 GEWBFFCBAMYBAN-JBOJMBJVSA-N 362.473 4.871 0 40 FJAB biogenic Cc1cccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c1 4072116 RAHUUDTYOVSIII-UHFFFAOYSA-N 359.454 4.848 0 40 FJAB CCCOc1ccc([C@@](O)(CCN2CCCCC2)c2ccccc2)cc1 4525377 IMIOSFKKPDWRDY-HSZRJFAPSA-N 353.506 4.587 0 40 FJAB CNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 5055476 DPGCADBBBAABSP-UHFFFAOYSA-N 370.518 4.536 0 40 FJAB COc1ccc(-c2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 5529769 UAJGAJITULZZIW-UHFFFAOYSA-N 351.353 4.624 0 40 FJAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 6566886 RZDOAIHDBJVCNL-HNNXBMFYSA-N 357.413 4.846 0 40 FJAB c1cncc([C@H]2CCCCN2CCCCOc2ccc3c(c2)CCC3)c1 6624603 NCVHXFHVRZRTLC-HSZRJFAPSA-N 350.506 4.957 0 40 FJAB biogenic COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 7043065 SSWXWEGGRDBPBM-NSHDSACASA-N 353.249 4.750 0 40 FJAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCCCCC1 7378061 YVQBIZCBGWTVKB-NRFANRHFSA-N 352.478 4.641 0 40 FJAB Fc1ccccc1CN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CC1 7872322 XXPVBMZUHVIPAE-UHFFFAOYSA-N 357.816 4.694 0 40 FJAB COc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1 8473719 ODHLCJZAMDOAST-OVCLIPMQSA-N 362.813 4.570 0 40 FJAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(F)c(F)c1 9827860 UXAPRMIMQPCPHH-UHFFFAOYSA-N 366.323 4.575 0 40 FJAB CCc1cccc(CC)c1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 12817014 XZLATZRJKDBWQW-UHFFFAOYSA-N 361.489 4.795 0 40 FJAB CCc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2C)cc1 13842069 KZRPJHHTWGQQCC-UHFFFAOYSA-N 353.491 4.557 0 40 FJAB O=C(NCCCOC1CCCCC1)c1cccnc1Sc1ccccc1 22508050 ZCSLQYZZQKWDLK-UHFFFAOYSA-N 370.518 4.702 0 40 FJAB Cc1ccc([C@@H](NC(=O)Cc2noc3ccccc23)c2ccccc2)cc1C 25281955 FVXLDUMGEBWJCI-DEOSSOPVSA-N 370.452 4.893 0 40 FJAB CCOc1ccc(OC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 27148776 LKEUVUMWUNBVQO-UHFFFAOYSA-N 367.426 4.618 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCCCC2)cc1 27581804 RFUUQFMIJHBOOB-FQEVSTJZSA-N 356.897 4.605 0 40 FJAB Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27664512 ZPGDFGDGXIFPET-HXUWFJFHSA-N 356.897 4.605 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3c(C)oc(C)c3C)sc2C)cc1 28716134 RNQWKOKMRJRFJJ-UHFFFAOYSA-N 356.447 4.898 0 40 FJAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1 29239810 INHVKJRUIFNYMR-JTQLQIEISA-N 359.750 4.918 0 40 FJAB COc1cc2ccccc2cc1C(=O)N1CCC(Cc2ccccc2)CC1 30851730 GOVCVCZXGZHUMO-UHFFFAOYSA-N 359.469 4.943 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759318 ZRIFLYPVDHLZDW-OAHLLOKOSA-N 370.518 4.537 0 40 FJAB C[C@H]1CN(C(=O)/C(=C\c2ccccc2)c2ccc(Cl)cc2)C[C@H](C)O1 32975492 WQYFXZAVWSDGBK-ALVQJFKWSA-N 355.865 4.516 0 40 FJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1F 37210489 AFAJAWICVXTCPL-IBGZPJMESA-N 372.490 4.535 0 40 FJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104631 WYQNZXZCQOFTII-UHFFFAOYSA-N 367.493 4.659 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2ccc(F)c(F)c2)C1 40267959 ONDVSGRGVUKADW-LLVKDONJSA-N 361.298 4.552 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)N2CCCc3c(F)cc(F)cc32)s1 48286656 SPUKSMQTXXJBFM-UHFFFAOYSA-N 370.424 4.990 0 40 FJAB O=C1N=C(Nc2cccc(Br)c2)/C(=C/c2ccncc2)S1 71285728 QKZISLLETGJKPY-JYRVWZFOSA-N 360.236 4.562 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)N[C@@H](c1ccccn1)C1CCCC1 72303691 KPFVAOZMBMFVBD-LJQANCHMSA-N 363.288 4.979 0 40 FJAB C[C@@H](Nc1cccc(N2CCCCC2)c1)C(=O)Nc1cccc2ncccc12 78698859 YFFYAUVJKDUBOI-QGZVFWFLSA-N 374.488 4.664 0 40 FJAB CC(C)[C@@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 84410188 GEOWOCPIVSNWKV-LLVKDONJSA-N 366.292 4.831 0 40 FJAB O=C(Nc1ccncc1Br)c1cc(F)c(Cl)cc1Cl 95441775 NCTBPPVINSTFKZ-UHFFFAOYSA-N 364.001 4.542 0 40 FJAB C[C@H](C(=O)Nc1cccc2c1ccn2C)c1ccc(C[C@H]2CCCC2=O)cc1 95477460 KIHKYUZMSJDMJW-QFBILLFUSA-N 374.484 4.832 0 40 FJAB O=C(Nc1nccc2sccc12)c1csc(-c2ncccc2Cl)n1 96011146 UYYWSHSVOUOORI-UHFFFAOYSA-N 372.862 4.721 0 40 FJAB Cc1ccc(CN(C)C(=O)Cc2nc(-c3ccc(F)cc3)cs2)c(C)c1 96012291 CLSKRVWAQVKDFL-UHFFFAOYSA-N 368.477 4.767 0 40 FJAB CCCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218982798 MDEGPHLEDOPPDP-IBGZPJMESA-N 353.462 4.816 0 40 FJAB O=C(c1nc2ccccc2s1)N1CCS[C@H](c2cccs2)CC1 219498283 RJYOAEMMRBGQBI-HNNXBMFYSA-N 360.529 4.678 0 40 FJAB CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 222931032 OTZKGWLLXBBRBW-IBGZPJMESA-N 355.478 4.521 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222996948 CSQWXWJUOGWUSV-UXHICEINSA-N 367.489 4.879 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(Cl)cc1F 224796415 XNWKYGUOTQJQQZ-QGZVFWFLSA-N 361.844 4.749 0 40 FJAB COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1OC 225042597 KWDJJLUQOIAFAQ-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1N1CCCC1=O 225615063 HUZGCEQHMCNYGB-UHFFFAOYSA-N 350.443 4.589 0 40 FJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)cc1 225652341 XAULPGVTFMODOK-OAQYLSRUSA-N 365.514 4.806 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1cncc(-c2cccs2)c1 225665927 NLPZDZMCWFAPLF-BQYQJAHWSA-N 354.862 4.793 0 40 FJAB Cc1nc2ccc(C(=O)NCc3ccnc(-c4ccsc4)c3)cc2s1 225755582 BATVMXDWVRVDTA-UHFFFAOYSA-N 365.483 4.658 0 40 FJAB Cc1cc(N)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Cl 226359307 URTNWVGLAVAFAJ-UHFFFAOYSA-N 353.249 4.518 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCCc3ccccc32)cc1 260458056 WNTYLPICWGWICT-NYVOZVTQSA-N 360.501 4.558 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccccc1 408564504 YYJYCQBJCUNTAI-DQRAZIAOSA-N 366.486 4.549 0 40 FJAB CC(C)(C)n1ncc2c(NCC(c3ccccc3)c3ccccc3)ncnc21 1559050944 DHWDQFKWILJVOI-UHFFFAOYSA-N 371.488 4.825 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1cc2ccccc2s1 1775966899 NFBBITZWAQMYLC-CYBMUJFWSA-N 369.467 4.686 0 40 FJAB CCOc1ccc(Nc2ncc(F)c(Nc3ccc(OCC)cc3)n2)cc1 823063 CAIIUUQRGUIPCF-UHFFFAOYSA-N 368.412 4.900 0 40 FJAB Cc1ccc(OCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 848348 WIECEVKAWXJGDL-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB O=C(c1ccco1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882138 RTIUEMZQMZAMBF-UHFFFAOYSA-N 350.399 4.843 0 40 FJAB COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC 1386791 PKEYRKYHSXFGBA-UHFFFAOYSA-N 350.205 4.697 0 40 FJAB CCOC(=O)CCC1(CCC(=O)OCC)c2ccccc2-c2ccccc21 1754615 YIXZOKLYUUEIEW-UHFFFAOYSA-N 366.457 4.640 0 40 FJAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)cc1 2647498 FNQXEGVEDLXKCX-UHFFFAOYSA-N 353.834 4.969 0 40 FJAB CCOc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 3439566 HIFPPCXBZPDMEN-GFCCVEGCSA-N 368.260 4.648 0 40 FJAB C[C@H]1Cc2ccc(/C=C/[C@@]34N=C(O)CCN3c3ccccc3C4(C)C)cc2O1 3999962 CGHSSTWUDYQZCM-DIGJUMEUSA-N 374.484 4.878 0 40 FJAB biogenic COc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C 4167439 HPUVAQVIZFGDAS-UHFFFAOYSA-N 352.459 4.591 0 40 FJAB COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1 4267836 JUJXHFOWGIBQHG-UHFFFAOYSA-N 358.393 4.811 0 40 FJAB biogenic COc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 4322985 CDLDRSIVHQLYSE-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB CCOC(=O)Nc1c(C(=O)Nc2ccc(CC)cc2)oc2ccccc12 4341969 NSKHGQUINISIQL-UHFFFAOYSA-N 352.390 4.816 0 40 FJAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccc(F)cc1 5458682 SWPXMKQLXXEXFB-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC(C)C 5644173 UNDFJASRQSTPTR-OQLLNIDSSA-N 370.836 4.681 0 40 FJAB CCc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2cccc(Cl)c2)cc1 5891386 RJRFUSZQIGFDAB-CYBMUJFWSA-N 371.893 4.847 0 40 FJAB Cc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 6531662 FDBCEKXDEABKNR-UHFFFAOYSA-N 372.497 4.989 0 40 FJAB O=C(C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1 6575712 PJKDVDQLFSFEBL-IBGZPJMESA-N 370.404 4.904 0 40 FJAB in-vitro COc1ccc(C)cc1NC(=O)COc1ccccc1Cc1ccccc1 6790535 PBRIGWLZISKJKA-UHFFFAOYSA-N 361.441 4.612 0 40 FJAB O=C(Cc1c(F)cccc1Cl)Nc1nc2c(s1)CCc1ccccc1-2 8393801 PZELGQORHNLDAS-UHFFFAOYSA-N 372.852 4.882 0 40 FJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1C 9462199 FVTNPSHZJNTGDR-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 10372204 XOIFWQAYLDWTJY-UHFFFAOYSA-N 366.505 4.910 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1 10428002 NZEWYOYRCJIYDD-UHFFFAOYSA-N 357.413 4.677 0 40 FJAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(SC(F)F)cc1 11365114 JWICVSLDLBQIGO-UHFFFAOYSA-N 359.344 4.533 0 40 FJAB CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1OC 12848597 WRXNSZNKSADZQZ-ZDUSSCGKSA-N 363.404 4.643 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccc(Cl)cc2)on1 14343227 FSNPSJGZSAIWRX-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB O=C(CSCc1ccccc1)Nc1ccc(Br)c(Cl)c1 14413655 KPSFDALJEIOIGP-UHFFFAOYSA-N 370.699 4.974 0 40 FJAB CCOC(C[C@H](Cc1ccccc1)P(=O)(OCC)OCC)OCC 15020464 YTUGDFXSYQEFLV-KRWDZBQOSA-N 358.415 4.653 0 40 FJAB CCOc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1OC 19519857 PECRPKSMBGQWNV-YOEHRIQHSA-N 372.515 4.588 0 40 FJAB COc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 19927263 AQKUGCGKWHKXDC-INIZCTEOSA-N 354.258 4.781 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)cc1 20459406 VXBSGYLQUXKPLV-SFHVURJKSA-N 363.910 4.878 0 40 FJAB CC[C@@H](NC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc(OC)cc1 21836870 DABKTNFAKFZQNH-GFCCVEGCSA-N 373.667 4.932 0 40 FJAB O=c1c(I)c(-c2ccccc2)sc2ccccc12 21997184 ORZFPZFLUTXBCN-UHFFFAOYSA-N 364.207 4.533 0 40 FJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 22021057 HVZKDNNQPRJMQC-UHFFFAOYSA-N 367.445 4.698 0 40 FJAB Cc1ccc(C)c(CC(=O)Nc2ccc(Br)c(Cl)c2)c1 22528565 JOTFAWPLNBRCPY-UHFFFAOYSA-N 352.659 4.901 0 40 FJAB O=C(NCc1cccnc1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 31335308 VPUHMVISTCPQKK-UHFFFAOYSA-N 372.346 4.823 0 40 FJAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCCCO2 32396868 GCALGXGFKVVFMI-LJQANCHMSA-N 357.475 4.571 0 40 FJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 32904219 OXOXYDWEGJJKNN-SFHVURJKSA-N 366.505 4.857 0 40 FJAB C[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccccc2OC(=O)c2ccccc2)N1C 33688665 WESAJBQBYCQVNO-PDIWNELESA-N 373.452 4.996 0 40 FJAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)c1 36616363 CCENSBISPVOMEL-UHFFFAOYSA-N 356.429 4.504 0 40 FJAB CC(C)c1ccc(C(=O)c2ccc(I)cc2)cc1 37357626 LAOFRFKWAPHIJX-UHFFFAOYSA-N 350.199 4.646 0 40 FJAB CC(C)(C)c1cc(=O)n2c3ccccc3n(Cc3ccc(Cl)cc3)c2n1 40484709 ZPFPWFHATUCKOY-UHFFFAOYSA-N 365.864 4.648 0 40 FJAB Cc1cccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 44847698 ANLKIWJERZHSEY-JOCHJYFZSA-N 365.498 4.512 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44933275 OAOCHDCWQUDSPS-SFHVURJKSA-N 366.505 4.562 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)n1 45020565 IBCWQIMKCPQTBK-CVEARBPZSA-N 363.383 4.759 0 40 FJAB Cc1cccc(-c2nnc(Sc3ncnc4sc(C)c(C)c34)n2C)c1 48254069 RMRRJCTXMVQUPX-UHFFFAOYSA-N 367.503 4.563 0 40 FJAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCc3ccccc3C2)n1 48290301 MDQFCVHUBKBFRP-UHFFFAOYSA-N 373.287 4.576 0 40 FJAB Cc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 72348849 SWWVXDFJEDJLCI-UHFFFAOYSA-N 357.501 4.755 0 40 FJAB CC(C)n1cc(CCCC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 79192790 HKHYRYLZZZKDQF-SFHVURJKSA-N 356.510 4.619 0 40 FJAB biogenic O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H]1c1cccs1 84437131 SLWATVWIEFHAOL-MRXNPFEDSA-N 366.446 4.699 0 40 FJAB CC(C)[C@H](N[C@@H]1CCc2c(F)cc(Br)cc21)c1ccccn1 95968208 WNPQMUMEKDHPHG-AEFFLSMTSA-N 363.274 4.957 0 40 FJAB CO[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1C 96105200 REJGBIHZBWSUSW-MRXNPFEDSA-N 352.356 4.523 0 40 FJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1C[C@H]2C=C[C@H]1C2 102784091 TXDDEGRXUPBJIP-XYJXZSIWSA-N 355.481 4.612 0 40 FJAB O=C(O)[C@H]1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 198837385 RPIUBWHUOYSPPL-FQEVSTJZSA-N 371.480 4.775 0 40 FJAB CCOc1cccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c1 216288994 LBGBBDXCVZEHDQ-GOSISDBHSA-N 363.910 4.926 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1OCC 219279785 HSLUKVBXBOZRCP-SFHVURJKSA-N 369.505 4.911 0 40 FJAB CCSc1ccccc1C(=O)NCCCc1ccc(OC(C)C)cc1 219647742 BWIJIIPQSIDXSW-UHFFFAOYSA-N 357.519 4.948 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)cc3)N21 222664288 YZGPCSBRKBQCNR-LSTHTHJFSA-N 367.518 4.848 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccccc1OC 223275769 IXMOBSIXNLXNQT-OXJNMPFZSA-N 363.457 4.883 0 40 FJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223547773 QPBXRCVXQICJHV-QGZVFWFLSA-N 369.530 4.550 0 40 FJAB Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(F)cc3)cn2)c1 223948854 RXVBZQNACNISAD-UHFFFAOYSA-N 366.465 4.759 0 40 FJAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1 224032325 DEKVLZZEAPEPQP-SFHVURJKSA-N 361.507 4.557 0 40 FJAB CCCOCc1cc(C(=O)Nc2c(CC)cccc2CC)ccc1OC 224419080 PZCAGPRCZIDRFX-UHFFFAOYSA-N 355.478 4.999 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Cl)cc1 224453156 WSHMCHPMEJEVSS-SJORKVTESA-N 371.918 4.974 0 40 FJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225464233 MCKQGYNNNWCRGK-NSHDSACASA-N 354.397 4.762 0 40 FJAB CC1=Nc2ccc(Br)cc2[C@@H](OCC(=O)Nc2ccccc2)C1 227148516 NHXBSNSFBNMQGL-KRWDZBQOSA-N 373.250 4.642 0 40 FJAB CCOc1ccccc1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408806875 CBHZJRJKCLQKMX-UHFFFAOYSA-N 373.885 4.810 0 40 FJAB COc1ccc(CCCc2nnc(SCc3cccc(C)c3)o2)cc1 409010556 BWIOAIRSGVIBTQ-UHFFFAOYSA-N 354.475 4.854 0 40 FJAB O=C(CCCOc1cccc2ccccc12)Nc1cccc(-n2ccnc2)c1 500747978 YTJMPBOELOLQLC-UHFFFAOYSA-N 371.440 4.823 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)CSc1ccc(F)cc1 575622198 XRCFUHPXCBRATD-ZDUSSCGKSA-N 359.491 4.880 0 40 FJAB Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)nc2)cc1C 694694 CFGMDFODFXXPGL-UHFFFAOYSA-N 373.456 4.820 0 40 FJAB COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)cc1 1440154 FGTMRPPKAWRABS-UHFFFAOYSA-N 374.893 4.531 0 40 FJAB CC(C)(C)c1csc(NC(=O)c2ccc(Br)cc2F)n1 3210580 USEYSVNMGPVZEH-UHFFFAOYSA-N 357.248 4.595 0 40 FJAB c1ccc(CNc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)nc1 3343850 FFTZRHNHAAWTSQ-UHFFFAOYSA-N 373.485 4.639 0 40 FJAB CN(c1ccccc1)[C@@H](C(=O)NC1CCCC1)/C(Cl)=C/c1ccccc1 4677845 WKLRGYZWSZWANZ-OYQOIYBLSA-N 368.908 4.830 0 40 FJAB CCCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1 4881768 ZCDPSMUKVKJIOS-UHFFFAOYSA-N 372.881 4.700 0 40 FJAB COc1ccccc1C1=NN=C(Nc2ccc(Cl)cc2Cl)SC1 5976231 CZKOZBBWFWMLIA-UHFFFAOYSA-N 366.273 4.921 0 40 FJAB Cc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)c(C)c1 6390343 FLANXJDYALBSTG-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB CSCC[C@@H](NC(=O)C[C@H](C)c1ccccc1)c1nc2ccccc2[nH]1 6506307 XXJHIFSSYDKBBC-HNAYVOBHSA-N 367.518 4.667 0 40 FJAB COc1ccc(CN(C(=O)c2csc(-c3ccsc3)n2)C2CC2)cc1 7116253 QPIXRWZHGGHWLW-UHFFFAOYSA-N 370.499 4.685 0 40 FJAB CCCc1nnc(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)O)[nH]1 7342341 KKQPOZVOLYIAGK-YBEGLDIGSA-N 370.478 4.511 0 40 FJAB Cc1cccc(NC(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1 8778877 UZSJQOWXPUSSRO-ZDUSSCGKSA-N 358.392 4.665 0 40 FJAB S=C1NC2=C(CCc3ccccc32)[C@H](c2ccc(Cl)cc2Cl)N1 9361011 GZFNZUHZHSSLBG-KRWDZBQOSA-N 361.297 4.870 0 40 FJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)C(c1ccccc1)c1ccccc1 9745642 WPLJXQJJLVPAPD-UHFFFAOYSA-N 359.454 4.909 0 40 FJAB O=C(CSc1ccc(F)c(F)c1)NC1c2ccccc2-c2ccccc21 10983304 CKXSRWQCXBKIDK-UHFFFAOYSA-N 367.420 4.943 0 40 FJAB O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)c2sccc2N1 12375455 ZZLAJJRMOJNZAA-INIZCTEOSA-N 353.418 4.940 0 40 FJAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 12617378 MIUPUYSANHSQLF-CQSZACIVSA-N 364.470 4.705 0 40 FJAB O=C1CCC[C@H]1Sc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 12627784 YYDGKQZGRUFRJA-HXUWFJFHSA-N 366.461 4.951 0 40 FJAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl 12759954 OVFZPLNLYLGCGN-HNNXBMFYSA-N 370.905 4.559 0 40 FJAB Cc1cccc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c1 12980335 USKZEDKVFICUFF-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB COc1ccc(NC(=O)c2sc(-c3ccccc3F)nc2C)c(OC)c1 13722737 WZEJEWPZVATWOA-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1)c1ccccc1 13999481 JRZSBKPPXSTUNF-GVJQPLCZSA-N 370.452 4.830 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c2cccnc12 15840813 WBERPEOCPAYSMM-MRXNPFEDSA-N 364.445 4.656 0 40 FJAB CCc1ccc(-c2cs/c(=N\c3cccc(C)c3)n2CCCO)cc1 15931553 JJIVTVGVCLZDNZ-DQRAZIAOSA-N 352.503 4.702 0 40 FJAB Cc1nc(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc(O)c1C 16841312 OWRMQVLQZIBNDF-UHFFFAOYSA-N 361.854 4.708 0 40 FJAB CCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1 17355367 PRUHHAYOXKDWML-UHFFFAOYSA-N 352.459 4.754 0 40 FJAB COc1ccc2cc(CNc3ccc(Oc4ccccc4)cc3)c(=O)[nH]c2c1 19563933 DNZBXGVUPJTBKQ-UHFFFAOYSA-N 372.424 4.941 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](c1cccs1)C(C)C 21494730 RDOCIJNHGVSPRU-GHTZIAJQSA-N 368.502 4.526 0 40 FJAB Cc1sc2ncnc(Sc3nnc(NC(C)(C)C)s3)c2c1C 21760306 JFVAHYXIIYZODN-UHFFFAOYSA-N 351.526 4.521 0 40 FJAB CC(=O)c1c(C)cc(C)c(COC(=O)CCC(=O)c2ccc(F)cc2)c1C 24964575 VDYMZBYZGVMPFC-UHFFFAOYSA-N 370.420 4.660 0 40 FJAB Cc1cc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c2ccccc2n1 26432433 MHYSZTMWWCRKCI-UHFFFAOYSA-N 362.360 4.694 0 40 FJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3ccco3)on2)cc1 26556378 PJZIQCUASXKPIU-GOSISDBHSA-N 366.417 4.701 0 40 FJAB CC(C)[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 27685831 YPRHIDDISGSWPI-YJYMSZOUSA-N 359.853 4.686 0 40 FJAB Cc1cc(C(=O)NC2CCCCCC2)cc(C)c1OCc1cccnc1 32476887 CZXVAIPFJGRLAS-UHFFFAOYSA-N 352.478 4.730 0 40 FJAB COc1ccc(-c2nnsc2C(=O)Nc2cccc3ccccc23)cc1 36359838 WKTXBUMWJHFAOI-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB CCOc1cc(NC(=S)Nc2ccccc2C)ccc1OC(F)F 36611120 APEDXODLVBAGEL-UHFFFAOYSA-N 352.406 4.804 0 40 FJAB Cc1cc([C@@H]2CCCCCN2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 36719009 QKSRVUXJRJEXMU-KXBFYZLASA-N 356.466 4.508 0 40 FJAB CCN(Cc1ccc2c(c1)OCCO2)Cc1nc(-c2cccs2)oc1C 40067012 WQCRYJZDLHVBCT-UHFFFAOYSA-N 370.474 4.505 0 40 FJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@@H]2CCCC[C@H]21 40145730 AUMFJZHAGRXILY-CGMDNHBQSA-N 373.802 4.542 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=S)NCCc1ccccc1 44195346 IKLDAVPPRGUZPH-UHFFFAOYSA-N 363.324 4.595 0 40 FJAB Cc1nc(C)c([C@@H](C)NC(=O)N(C)Cc2ccccc2C(F)(F)F)s1 56487028 KCDLCUVQOQRDIM-LLVKDONJSA-N 371.428 4.681 0 40 FJAB Cc1nc(C)c([C@H](C)NC(=O)N(C)Cc2ccc3ccccc3c2)s1 56487171 GFUJLLHGJFGHEQ-AWEZNQCLSA-N 353.491 4.816 0 40 FJAB O=C(CCSCc1ccc(F)cc1Br)Nc1ccccc1 57997246 ZMJFYLFMEANYSP-UHFFFAOYSA-N 368.271 4.850 0 40 FJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@]2(Cl)C1 118926021 HWLOAYIHCDYIQF-FPYHTYPQSA-N 366.929 4.891 0 40 FJAB CC(C)(CNC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1F 141555601 ZLGQZGVKKZQUME-UHFFFAOYSA-N 354.469 4.524 0 40 FJAB CCOc1cccc(CNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c1 216289038 LBGBBDXCVZEHDQ-SFHVURJKSA-N 363.910 4.926 0 40 FJAB COc1ccc(CCC(=O)N2CCS[C@@H](c3ccccc3C)CC2)cc1 219282483 NLKHFOHRVBYAEO-OAQYLSRUSA-N 369.530 4.643 0 40 FJAB COC(=O)c1cn(C(=O)/C(=C/c2ccco2)c2ccccc2)c2ccccc12 222571887 KTDAQOJQHQPQFU-XMHGGMMESA-N 371.392 4.902 0 40 FJAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223169327 LSKVCMZFMGOCKP-GOSISDBHSA-N 369.505 4.643 0 40 FJAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1C 223501619 MVSPZLRTJRCHGI-OAQYLSRUSA-N 369.486 4.586 0 40 FJAB CCc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1OC 223685113 VRKRUFIKTNOMJJ-UHFFFAOYSA-N 367.470 4.725 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C 225532240 DDVVDFGVKXJHFA-UHFFFAOYSA-N 353.462 4.853 0 40 FJAB CCOc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225575195 DGNXBKWIZXAXHL-UHFFFAOYSA-N 371.452 4.528 0 40 FJAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 225810451 WIUICKSSKQPBQJ-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c2cccnc12 225902810 PRWRVOIYJDNZDP-NRFANRHFSA-N 356.466 4.557 0 40 FJAB CC1CCN(C(=O)c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 408720976 CBBRZVARMCQPAK-UHFFFAOYSA-N 357.457 4.683 0 40 FJAB CSc1ccc(CN[C@H](c2ccc(Cl)cc2)c2nccn2C)s1 564131869 KARNVRNVMRVWMC-MRXNPFEDSA-N 363.939 4.736 0 40 FJAB FCC1(CNCc2csc3c(Br)cccc23)CCOCC1 569001847 MQMHYTCYAYEHGI-UHFFFAOYSA-N 372.303 4.520 0 40 FJAB NC1(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC2(CCC2)C1 659285857 SGHBZGNPYCLWJX-UHFFFAOYSA-N 373.456 4.627 0 40 FJAB CCSCc1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 1776110996 HPFNAKGHJBHHSI-UHFFFAOYSA-N 360.895 4.913 0 40 FJAB O=c1ccc2ccc(Oc3ncnc4sc5c(c34)CCCCC5)cc2o1 710419 NIZMVASCBJYNCL-UHFFFAOYSA-N 364.426 4.859 0 40 FJAB Cc1ccc2cc(-c3nc4c(C)cccn4c3NC(C)(C)C)c(=O)[nH]c2c1C 1330150 BFMRMPKMSVJVBR-UHFFFAOYSA-N 374.488 4.978 0 40 FJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=S)Nc2ccccc2)CC1 1336838 WCPKJUHSCVOJDN-UHFFFAOYSA-N 358.894 4.632 0 40 FJAB Cn1nc(C(F)(F)F)c2cc(NC(=O)OCc3ccc(F)cc3)sc21 1403837 GZHBVHDXEFDKJL-UHFFFAOYSA-N 373.331 4.541 0 40 FJAB Cc1oc2ccc(OC(=O)c3ccccc3F)cc2c1C(=O)OC(C)C 1448008 GPYRFNKEXVYZCW-UHFFFAOYSA-N 356.349 4.665 0 40 FJAB biogenic CCOc1ccc(-c2nnc(NC(=O)[C@@H](CC)c3ccccc3)s2)cc1 2298321 QVOGAOYKPORYDG-KRWDZBQOSA-N 367.474 4.736 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccccc2)o1 2619211 CDYMJWTVUJKXLG-ZDUSSCGKSA-N 363.442 4.890 0 40 FJAB COc1ccccc1OCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 2633776 JITFGBMCFHWPCK-UHFFFAOYSA-N 363.413 4.813 0 40 FJAB Cc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)c1 3008306 HFCUEMITEHGPCB-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB Cc1c(C(=O)OCC(=O)Nc2ccc3ccccc3c2)oc2ccccc12 3321729 YGAKAFCAIGKQGM-UHFFFAOYSA-N 359.381 4.690 0 40 FJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3Cl)nc1-2 3651693 SYAXXQGHQRKSIH-UHFFFAOYSA-N 356.834 4.629 0 40 FJAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)[C@H]2C)cc1OC 4533146 WYBOVISLCPAJFV-XDEPDNQISA-N 356.462 4.681 0 40 FJAB biogenic CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)Cc2ccc(Cl)cc2)cc1 4600890 KCUDHBKZLOGBGM-SFHVURJKSA-N 373.880 4.512 0 40 FJAB CCOC1(OCC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCC[C@H]12 5049683 VUHCAGIYGJNWDI-KGOITJQVSA-N 360.108 4.844 0 40 FJAB CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 5841831 GAHBGEKYFOLSCS-UHFFFAOYSA-N 351.233 4.840 0 40 FJAB O=C(NC1CCCCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 6083241 NSXLJRVMRPJLBP-OAQYLSRUSA-N 363.457 4.593 0 40 FJAB CCCOC(=O)c1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl 6417842 RDYOLWULQBCWNC-UHFFFAOYSA-N 370.836 4.500 0 40 FJAB O=C(Cc1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6566091 QJPHZRSEVIJDOF-UHFFFAOYSA-N 350.399 4.844 0 40 FJAB O=C1C[C@H](C(=O)N(C2CCCCC2)C2CCCCC2)[C@@H](c2ccccc2)O1 6646121 HAWMNJXPWCLHCI-RBBKRZOGSA-N 369.505 4.785 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccccc3Cl)on2)cc1 6755273 QPIUXFOPYHVILO-CYBMUJFWSA-N 356.809 4.709 0 40 FJAB O=C(NCc1cccs1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 6969013 MAYLLHRPGIBTNJ-RGMRCXJASA-N 351.515 4.903 0 40 FJAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C 8330610 LEMBXUGWAVCUGN-LBPRGKRZSA-N 363.866 4.554 0 40 FJAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1OC 8903811 UFNSVQPSINCJSC-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB O=C(NC1CCCC1)[C@H](Sc1nc2ccccc2o1)c1ccccc1 9227663 KVOJVDWJUJTBBT-GOSISDBHSA-N 352.459 4.720 0 40 FJAB C[C@@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1ccc(F)cc1 9549223 QYWCHDZNDSTCLP-MRXNPFEDSA-N 364.420 4.826 0 40 FJAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 9593973 WJIMEKSRWUURRF-GOSISDBHSA-N 352.434 4.525 0 40 FJAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCSCc1ccsc1 12749916 LZPFEVQTJYJGQM-UHFFFAOYSA-N 371.527 4.575 0 40 FJAB O=C(O)/C=C/c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 12992827 ROOQKHQSDGQISJ-KPKJPENVSA-N 371.392 4.865 0 40 FJAB CC1CCN(Cn2nc(-c3cc(Cl)ccc3Cl)[nH]c2=S)CC1 13071223 LCCWCIRQFQGJOS-UHFFFAOYSA-N 357.310 4.604 0 40 FJAB COc1cc(-c2csc(NCc3ccc(F)cc3)n2)cc(OC)c1OC 14231920 GRFFSZMYPCPEMA-UHFFFAOYSA-N 374.437 4.587 0 40 FJAB Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCc1ccco1 15880523 LCVNHDKEEJNXQM-UHFFFAOYSA-N 361.397 4.843 0 40 FJAB biogenic Cc1ccc2cccc(OC(=O)c3oc4c(c3C)[C@H](O)CC(C)(C)C4)c2n1 16740263 GCLMCXQYGTULFX-OAHLLOKOSA-N 365.429 4.670 0 40 FJAB C[C@@H]1CCCC[C@@H]1NCc1cn(Cc2ccccc2)nc1-c1cccnc1 17311192 NCDNQCQLJMZYPG-GCJKJVERSA-N 360.505 4.662 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(NC(C)=O)cc1 20105393 QTLYEVKEALZNAO-FQEVSTJZSA-N 362.429 4.594 0 40 FJAB COc1ccc(CN[C@H](C)c2ccc(Cl)cc2Cl)c(OC)c1OC 22776756 YYKZRXCFMMDTDK-LLVKDONJSA-N 370.276 4.870 0 40 FJAB CCc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 30758578 LTWHZKIBNBZDCJ-OAQYLSRUSA-N 355.478 4.540 0 40 FJAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 30860660 HRUNPFCAHFZHIC-HNNXBMFYSA-N 357.519 4.962 0 40 FJAB O=C1CCCN1c1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1Cl 40107740 SNNRMMMRUBLIOP-INIZCTEOSA-N 374.893 4.506 0 40 FJAB Cc1ccccc1CC(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 41107571 WHTRRVLMXXDISS-UHFFFAOYSA-N 357.413 4.688 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)c(F)c3)on2)c2cccnc12 41157611 ZUDHXZCSLZLVBG-UHFFFAOYSA-N 365.339 4.729 0 40 FJAB CC(C)c1cc(=O)[nH]c2cc(NC(=O)CSCc3ccccc3)ccc12 49031176 QMBDURLCCLEHLI-UHFFFAOYSA-N 366.486 4.523 0 40 FJAB CC(C)c1nc2cc(NC(=O)c3cccnc3N3CCCCC3)ccc2o1 56909263 HORYUYISHPGFKO-UHFFFAOYSA-N 364.449 4.589 0 40 FJAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Nc1cccc2ccccc12 58033319 ZAEMAQUNJBITSM-IBGZPJMESA-N 362.477 4.990 0 40 FJAB Cc1nc(COc2ccc(CNc3ccccc3N(C)C)cc2)cs1 84274844 QZEIPJSCPQACCF-UHFFFAOYSA-N 353.491 4.709 0 40 FJAB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ncnn32)cc1 102680215 JELPGDQREQPULZ-KKSFZXQISA-N 374.419 4.791 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718070 RSDDVPNKVFLXTO-AWEZNQCLSA-N 370.880 4.629 0 40 FJAB CCCOc1ccc(CNc2ccc(OC)cc2)cc1Br 106964365 JXRPAWYKWUTQTH-UHFFFAOYSA-N 350.256 4.859 0 40 FJAB COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924645 UHRMATMIZQHEIP-QREMAQNESA-N 374.521 4.670 0 40 FJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222932584 PJZHVWFXZKTVIJ-NRFANRHFSA-N 369.505 4.857 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(C)cc1 222947821 WOXXNLVCOHRAEP-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223152673 JOFWNJCPJYOXAF-KRWDZBQOSA-N 353.531 4.903 0 40 FJAB CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224933035 DZQAPVSPVJYGGX-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257509 JEIYBTLGOHVLLW-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB Cc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C 225652875 GKYGBMNIBFLZJW-UHFFFAOYSA-N 369.852 4.587 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccccc2C)no1 225815605 SCENWVQBSVLNTR-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cn1cccc1CN(C(=O)c1ccc2[nH]c(Cl)nc2c1)C1CCCCC1 225982247 VODNLJAECMAXIR-UHFFFAOYSA-N 370.884 4.530 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 257173437 NIITWBWPXPSFRM-KURKYZTESA-N 358.526 4.669 0 40 FJAB CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409119008 VMWDIVPSBGUNAM-PDGQHHTCSA-N 351.446 4.637 0 40 FJAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 584577826 QXKRUGDXPWHXHL-BLROVAFISA-N 374.521 4.813 0 40 FJAB CC1(C)C[C@H](N[C@H]2CCCOc3cc(F)ccc32)c2cc(N)ccc2O1 584774691 AZDYBCYBAQOFHU-ROUUACIJSA-N 356.441 4.514 0 40 FJAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1 675571927 SAVVQBNIYGASOC-FQEVSTJZSA-N 362.477 4.606 0 40 FJAB COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)c1 624171 LZVAZNOABVZUAT-UHFFFAOYSA-N 374.465 4.902 0 40 FJAB aggregator Cc1ccc(-c2nnc(-n3nnc4cc(C)c(C)cc43)c3ccccc23)cc1 715705 SEXDKVJKEGGIID-UHFFFAOYSA-N 365.440 4.956 0 40 FJAB Cc1c(Br)cccc1NC(=O)c1sccc1-n1cccc1 1390133 JDJVFBUWGDUOPP-UHFFFAOYSA-N 361.264 4.862 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 1620189 QLMXZKMIBONXSF-HLSZOSTASA-N 354.490 4.926 0 40 FJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)c1 2483575 VSZHRCCTJVFTSL-UHFFFAOYSA-N 355.488 4.550 0 40 FJAB O=C(Cc1cccs1)Nc1ccc(Br)c(C(F)(F)F)c1 2644915 UTPMAWGIXIJOSZ-UHFFFAOYSA-N 364.186 4.711 0 40 FJAB Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1C 3272430 GKUYLIKDUBHHGY-UHFFFAOYSA-N 371.521 4.954 0 40 FJAB CSc1cccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)c1 4315738 KUBHCXJNNVGJMD-UHFFFAOYSA-N 372.881 4.512 0 40 FJAB CCc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4555328 QJJAKYLKEIFYTC-GOSISDBHSA-N 355.507 4.506 0 40 FJAB O=C1N/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 4702405 BLYCCTANUCLMHK-STZFKDTASA-N 372.399 4.586 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccccc1 5136283 GQBPJWIWVDOFCJ-UHFFFAOYSA-N 362.454 4.593 0 40 FJAB CCCCOc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 5441713 CSHWELLDDAWENV-UHFFFAOYSA-N 366.461 4.635 0 40 FJAB CN(C)C[C@@H]1CCCC[C@H]1OC(=O)/C=C/c1ccc(Cl)cc1Cl 5573844 MLUKYQZFCRKVSG-VAABUUKESA-N 356.293 4.670 0 40 FJAB O=C(CSc1nncn1-c1ccccc1)c1ccc(-c2ccccc2)cc1 5621983 DSJYXLKHFPOJMF-UHFFFAOYSA-N 371.465 4.909 0 40 FJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COc1cccc(Cl)c1Cl 6609904 QJYULLRVYLLQAQ-VIFPVBQESA-N 370.198 4.562 0 40 FJAB Clc1ccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)c(Cl)c1 6668729 LBBPYHKZDBCUHJ-GQCTYLIASA-N 363.229 4.923 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)s1 7763803 JLNFCHBRSPGBHE-UHFFFAOYSA-N 361.517 4.686 0 40 FJAB COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc(Cl)c1O 7779810 VZEQXHAGFKPONV-QMMMGPOBSA-N 374.651 4.852 0 40 FJAB COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1ccccc1 7781014 JHLJRSNPQYISNT-UHFFFAOYSA-N 373.452 4.674 0 40 FJAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCCc2ccccc21 8126476 QIWHYQZOGCWXNY-GOSISDBHSA-N 363.288 4.941 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Br)s1 8776387 HZLXNPFFWLUPQH-UHFFFAOYSA-N 371.306 4.948 0 40 FJAB Cn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccco1 9594342 IRSAQJYCRKUUNA-UHFFFAOYSA-N 360.489 4.552 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 12057993 QOVRUFWNHAVBJB-HNNXBMFYSA-N 366.848 4.732 0 40 FJAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 12587940 VTUXYEFWBMXHPY-INIZCTEOSA-N 374.868 4.995 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC[C@H](C)C3)cccc2c1=O 12976617 BTBHKPAQSBMSFU-HNNXBMFYSA-N 361.441 4.641 0 40 FJAB Cc1cc(NC(=O)CCCSc2ccc(Cl)cc2)n(C(C)C)n1 13657007 ZERMKJLRMZVCGU-UHFFFAOYSA-N 351.903 4.937 0 40 FJAB CCCCOc1ccc(NC(=O)c2ccccc2OC)c2cccnc12 15841060 ZEXOOOAEYMKNKP-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 20101540 QDZMDBGOLOSGPH-KRWDZBQOSA-N 373.456 4.758 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 20488513 SBMSZVFXSMMODV-JYFCICGUSA-N 357.453 4.923 0 40 FJAB CC(C)(C)C1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 21704301 XYWIVFDIOHYDGP-KVZIAJEVSA-N 371.521 4.974 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 27464566 SDZBIBVLLMYPJY-INIZCTEOSA-N 366.436 4.551 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCCCC2)cc1 27584318 VEVXNJDDKILSHU-QFIPXVFZSA-N 350.506 4.651 0 40 FJAB CC(=O)Nc1cccc(Nc2nnc(SCc3ccc(F)cc3)s2)c1 28967960 GHPGCOAPGRROQB-UHFFFAOYSA-N 374.466 4.672 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H](C)c2ccccc21 31781149 PARDFOJUACZKKE-ZDUSSCGKSA-N 352.459 4.794 0 40 FJAB CC[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(C)cc1 32475842 JWRZFLLIFPYCCH-IBGZPJMESA-N 363.461 4.635 0 40 FJAB COc1ccc(OC(F)F)cc1NC(=O)c1oc2ccc(C)cc2c1C 32622817 VVMJHWWDZDAYAQ-UHFFFAOYSA-N 361.344 4.912 0 40 FJAB C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H](c2ccccc2)O1 57995975 UFPAFAOQZCTTBC-DJJJIMSYSA-N 355.821 4.688 0 40 FJAB COc1ccc(-c2csc(C[C@@H](C)n3cc(Cl)cn3)n2)cc1F 58157627 VJOSUSNSLWILCL-SNVBAGLBSA-N 351.834 4.611 0 40 FJAB Cc1cccc(OCCN(C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 58290661 PLUGFASOYPNRBM-HNNXBMFYSA-N 371.868 4.770 0 40 FJAB O=C(Cn1cc(-c2ccccc2)cn1)Nc1ccccc1-c1ccccc1 65565232 QTOXHCRKCUCQAV-UHFFFAOYSA-N 353.425 4.856 0 40 FJAB CCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 66139563 DZBUDZAYGDAWFJ-UHFFFAOYSA-N 362.389 4.681 0 40 FJAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2c(Cl)cccc2Cl)C1 72404712 AXCMLOQGULMBFN-LLVKDONJSA-N 362.216 4.955 0 40 FJAB Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cc2c(C)noc2C)c1C 74363204 ZKEHFKQKXBJOJI-VFNWGFHPSA-N 369.509 4.776 0 40 FJAB O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(-n2cccc2)c(F)c1 78612106 JRZAEUHEKURMNE-UHFFFAOYSA-N 367.399 4.608 0 40 FJAB CC[C@H](C)c1ccc(OCCN2C(=O)[C@H](C)CNc3ccccc32)cc1 82087130 JYSOUBVVQMBABK-DLBZAZTESA-N 352.478 4.674 0 40 FJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1C[C@H]1c1cccnc1 84374377 VCTPVQPIYOPXOL-IRXDYDNUSA-N 356.516 4.693 0 40 FJAB CC(C)[C@@H](N[C@@H]1CCc2c(F)cc(Br)cc21)c1ccccn1 95968209 WNPQMUMEKDHPHG-SJLPKXTDSA-N 363.274 4.957 0 40 FJAB O=C(c1ccccc1)c1cccc(NC(=O)C23CC(C(F)(F)F)(C2)C3)c1 97165150 XUAXZCBVGAZTJU-UHFFFAOYSA-N 359.347 4.589 0 40 FJAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccc(Cl)cc1Cl 106700623 XALUMROJBZZAJS-QPEQYQDCSA-N 353.230 4.558 0 40 FJAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 115132118 PBMOHBSDRLDBDX-UHFFFAOYSA-N 370.518 4.644 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 219534224 MZABDYMDKMWRJQ-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc2c(c1)CCCC2 223095791 ZBIOUWKQRWTDRX-LAUBAEHRSA-N 351.490 4.909 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCCOc1cccc2ccccc12 223570664 HKBAHWFOOMXYAI-UHFFFAOYSA-N 371.436 4.567 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 224881897 GMFWFGLTRWWAJO-CYBMUJFWSA-N 353.340 4.608 0 40 FJAB COc1ccc(C2(C(=O)Nc3ccc(OC)c(C)c3)CCCCC2)cc1 225559600 VBZQNRCUSKCGCS-UHFFFAOYSA-N 353.462 4.853 0 40 FJAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(F)cc3)oc2c1 226283907 IQSYMBFLRULFEO-UHFFFAOYSA-N 352.287 4.549 0 40 FJAB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 253575343 UMHHCJGRDWHUNG-GQIGUUNPSA-N 372.472 4.708 0 40 FJAB c1cncc(-c2ccc3c([C@H]4CCCN4Cc4ccsc4)ncn3c2)c1 306134600 NTGPSMZHEIIJES-LJQANCHMSA-N 360.486 4.795 0 40 FJAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 408618637 DUGLJDHEEZPVBT-UHFFFAOYSA-N 373.865 4.617 0 40 FJAB O=C(N[C@@H]1CCc2ccc(F)cc21)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 521637750 MTOMXZQZVFJHKS-SOLBZPMBSA-N 363.354 4.752 0 40 FJAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC1CCCC1)c1ccncc1F 585081057 LZTVARQMBYJBJQ-OAHLLOKOSA-N 367.468 4.863 0 40 FJAB CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2noc3ccccc23)o1 606801371 XQXMTJGVEIBHFI-SFHVURJKSA-N 352.434 4.670 0 40 FJAB Fc1ccc2[nH]c3nc(SCc4c(F)cccc4Cl)nnc3c2c1 907689 MIYGEVAIAKMHPN-UHFFFAOYSA-N 362.792 4.730 0 40 FJAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(N(C)C)cc3)c2C(=O)[C@@H]1C 1075229 RUIRRXOORKKSJZ-JKSUJKDBSA-N 359.473 4.616 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2c1 1342842 BONVKMMOXPIEEY-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB CSc1nnc(-c2ccc(NC(=S)Nc3ccc(C)cc3)cc2)o1 1513055 BOCLSZSPKUYHRG-UHFFFAOYSA-N 356.476 4.576 0 40 FJAB CC(C)CNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2213896 JBCZSZOYDQFBQR-UHFFFAOYSA-N 354.523 4.995 0 40 FJAB Cc1nn2c(NCc3ccccc3)c3c(nc2c1-c1ccccc1)CCC3 2219383 JVYQQFYLJFQBGV-UHFFFAOYSA-N 354.457 4.806 0 40 FJAB Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 2447725 WTWSSJNWXXUCFO-SFHVURJKSA-N 359.470 4.611 0 40 FJAB C[C@@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc2ccccc2c1 3401593 ZJGZUCOCPYGPMF-IIBYNOLFSA-N 369.892 4.722 0 40 FJAB Cc1ccc2cc(-c3ccc(NC(=O)[C@@H]4C[C@@H]4C(=O)O)cc3)sc2c1 4105081 MCNSRPRNSBNEIF-CVEARBPZSA-N 351.427 4.536 0 40 FJAB Cn1cnnc1-c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 4520611 PXIJWMJHZVQCPY-UHFFFAOYSA-N 368.849 4.603 0 40 FJAB CSc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4555309 FZDQLWKDVWVBJU-KRWDZBQOSA-N 373.547 4.665 0 40 FJAB CCOc1cc(-c2nc(-c3ccccc3)no2)cc(OCC)c1OCC 4815690 KFYGHUASKHDBNA-UHFFFAOYSA-N 354.406 4.600 0 40 FJAB CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccccc2C)s1 4982398 HTIJSWKXABTTSO-UHFFFAOYSA-N 365.502 4.889 0 40 FJAB Cc1cc(SCC(=O)c2cccs2)n2ncc(-c3ccccc3)c2n1 5576388 JZTBRBFEDBRCJQ-UHFFFAOYSA-N 365.483 4.741 0 40 FJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccccc1 6343988 QGDFKVSEBLWAOG-UHFFFAOYSA-N 359.425 4.543 0 40 FJAB COCCCNCC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 6758246 CSNJQYPQMKIACA-PKOBYXMFSA-N 367.961 4.720 0 40 FJAB COc1ccc(OC)c(NC(=O)Cc2coc3ccc(C(C)C)cc23)c1 6809874 LKVGOPGCLCFKRB-UHFFFAOYSA-N 353.418 4.755 0 40 FJAB Cc1sc2ncn(CCSc3ccc(Cl)cc3)c(=O)c2c1C 7085157 OPSFYVDGPZUEKH-UHFFFAOYSA-N 350.896 4.521 0 40 FJAB CN(Cc1ccccc1NCC(=O)Nc1ccccc1F)C1CCCCC1 7977068 SJUNBYUOSYIDEN-UHFFFAOYSA-N 369.484 4.641 0 40 FJAB O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1F 12396033 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4.848 0 40 FJAB O=C1O/C(=C(\C(c2ccccc2)c2ccccc2)[N+](=O)[O-])c2ccccc21 59382555 RAURDVVWNSAECT-QZQOTICOSA-N 357.365 4.634 0 40 FJAB CC(=O)O[C@@H](N1c2ccccc2C(C)=CC1(C)C)C(Cl)(Cl)Cl 59500856 NEDUWKHVIUDPPZ-CQSZACIVSA-N 362.684 4.948 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 65591882 FGVFYLVSKQJVGT-GFCCVEGCSA-N 372.519 4.992 0 40 FJAB Cc1ccc(C(=O)C2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)cc1 75092127 ZQVQLXAWOLGYGQ-MRXNPFEDSA-N 354.494 4.936 0 40 FJAB Cc1nc(-c2ccccc2)oc1C(=O)N1c2ccccc2N(C)CC[C@H]1C 79529192 VLONELHAQMTATR-OAHLLOKOSA-N 361.445 4.525 0 40 FJAB O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1)CC1CCOCC1 89832593 RIZRHQVNMAESCF-UHFFFAOYSA-N 373.496 4.838 0 40 FJAB O=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1[C@@H](O)C(F)(F)F 95465508 QLRKWNMXPURBMC-IFXJQAMLSA-N 363.379 4.731 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc(Cl)c1 100949608 JSJKLECSJXUUFW-FPAYPSAMSA-N 353.849 4.522 0 40 FJAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccn1C 101682011 QLTCMICEMXVEGB-NRFANRHFSA-N 363.461 4.838 0 40 FJAB CCc1nc2ccccc2n1CC(=O)Nc1cc(Cl)c2oc(C)cc2c1 141579001 DOXBRWPKINUMRA-UHFFFAOYSA-N 367.836 4.945 0 40 FJAB Clc1cccc(Nc2nc(Cl)nc(NCC3CCCCC3)n2)c1 199800238 YNCQLXSPWHOYEE-UHFFFAOYSA-N 352.269 4.914 0 40 FJAB O=C(c1ccc2nccnc2c1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206880600 GLTKAHHABVBJSG-QGZVFWFLSA-N 365.864 4.693 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1nccc(-c2cccs2)n1 225186069 RVTOZJSERSTAOV-AWEZNQCLSA-N 368.531 4.513 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2CCCCCCC2)cc1Cl 225517964 NEFKMKASMAENKR-UHFFFAOYSA-N 368.930 4.916 0 40 FJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)Cc1ccc(F)cc1 225625245 BTMBLAOVFUGGPH-UHFFFAOYSA-N 361.376 4.519 0 40 FJAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C(F)(F)F 225829485 VJNMXXKUJDJWNH-UHFFFAOYSA-N 359.388 4.782 0 40 FJAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)cc3)oc12 226270726 CWIBBPDZKQFQIN-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 408596670 SQYXSWZZNMOGAM-UHFFFAOYSA-N 359.665 4.774 0 40 FJAB Cc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccc(F)cc1 409205360 HODQZLKUJRYABC-UZYVYHOESA-N 360.841 4.596 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1cc(Cl)ccc1F 1521563455 MFWZCFNXRVYILH-YGNAEDSMSA-N 354.812 4.918 0 40 FJAB Cc1ccccc1C1(CNC(=O)N(C)C2CCC(C)(C)CC2)CCOCC1 1667300015 DLANYKXTONKNGM-UHFFFAOYSA-N 372.553 4.653 0 40 FJAB Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)o1 800971 WOTKZEYZVKPIOR-UHFFFAOYSA-N 360.866 4.860 0 40 FJAB O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 843732 APHHPIIQFGGMLA-MDZDMXLPSA-N 366.804 4.837 0 40 FJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N(C)C)cc1 949055 HUJYUGVDWPUGJY-UHFFFAOYSA-N 363.461 4.838 0 40 FJAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1368607 VKXBMWVFISZRJZ-SFTDATJTSA-N 367.468 4.533 0 40 FJAB C[C@@H]1CCc2sc3nc(SCc4ccccc4)n4ncnc4c3c2C1 2404821 HDMWBGGQLSPDGQ-GFCCVEGCSA-N 366.515 4.756 0 40 FJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCCCC3)cc12 2406940 XIGJPULZGSRFEL-UHFFFAOYSA-N 359.882 4.675 0 40 FJAB Cc1ccccc1C(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 2688138 QRQRDWOVQNYRCA-HNNXBMFYSA-N 357.668 4.533 0 40 FJAB CC(=O)N(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 4524688 HRFQSRWIQMUYIR-UHFFFAOYSA-N 360.413 4.714 0 40 FJAB O=C(c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 4525661 MCENYDWTTDEYCR-UHFFFAOYSA-N 371.223 4.872 0 40 FJAB Cc1cccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)c1C 4746911 SGPURGIHPYDMHV-UHFFFAOYSA-N 358.869 4.575 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1C 4854325 KLAYQFDUSUXSDJ-OAQYLSRUSA-N 363.436 4.881 0 40 FJAB O[C@H]1CCCCCCCCCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F 5022226 NTSJAHWLRPOMME-NEPJUHHUSA-N 350.343 4.734 0 40 FJAB O=C1c2ccccc2CC[C@@]12N=NC[C@H]2c1ccc(Br)cc1 5053029 MDZBIMPYXZWHLK-WMZOPIPTSA-N 355.235 4.566 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)C(Cl)(Cl)Cl)cc1 6030087 QFBLPBXAUREJJZ-UHFFFAOYSA-N 371.651 4.556 0 40 FJAB CC(C)c1ccc(-c2nc3cc4c(cc3c(=O)o2)OCO4)c(C(C)C)c1 6590764 IERKRSTZYZNXHQ-UHFFFAOYSA-N 351.402 4.831 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2c(C)ccc3nsnc23)cc1Cl 6720223 WDEYWXBDGRPCAS-UHFFFAOYSA-N 368.245 4.567 0 40 FJAB O=C(Cn1ccc2ccccc21)Nc1ccccc1C(=O)c1ccccc1 7093614 FFWNXUJWHCFKCJ-UHFFFAOYSA-N 354.409 4.511 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7294665 GMMVBZMVCZPICD-NSHDSACASA-N 355.381 4.833 0 40 FJAB Cc1cccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)c1 7499911 PMTJPVUDQBSPEQ-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 7738961 BWRGYICMHQEKJQ-IBGZPJMESA-N 357.862 4.686 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 7781430 NRCUCQXDISTIIY-UHFFFAOYSA-N 362.429 4.781 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8051105 DLDKYDYXTKWFCL-QGZVFWFLSA-N 369.461 4.666 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cccs3)ccc1O2 9135373 IEIVFJHYFRCEMR-UHFFFAOYSA-N 364.426 4.691 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1nc(-c2c[nH]c3ccccc23)cs1 9726924 ZOKLMPSMXXDDKS-UHFFFAOYSA-N 374.425 4.614 0 40 FJAB CN(Cc1nc2ccccc2s1)c1ncc(C(F)(F)F)cc1Cl 12942464 SHONJSUHPVEPKA-UHFFFAOYSA-N 357.788 5.000 0 40 FJAB CC(C)CCn1c([C@@H](C)NC(=O)/C=C/c2ccccc2)nc2ccccc21 13597049 UQLHBMBZLBATBN-KAUXGEHWSA-N 361.489 4.973 0 40 FJAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 13676569 ATODEIPESIJZBH-GOSISDBHSA-N 353.506 4.809 0 40 FJAB CC(=O)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 13937646 HORWGRDTQBSSSX-UHFFFAOYSA-N 354.353 4.597 0 40 FJAB O=C(Cn1cnc2ccccc21)N1c2ccccc2Sc2ccccc21 16545619 PTKZPBFTUNZULV-UHFFFAOYSA-N 357.438 4.866 0 40 FJAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18059770 TYRSUUSHGPMFIA-BMGDILEWSA-N 373.374 4.779 0 40 FJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2c[nH]nc2C(C)(C)C)nc1 19215449 LJAUWJVXSLDGHM-GOSISDBHSA-N 354.523 4.546 0 40 FJAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)CC1CCCCC1 19239560 ZCPDKMBDWYOPLJ-FQEVSTJZSA-N 366.509 4.804 0 40 FJAB CC[C@H](NC(=O)c1oc2ccc(C)cc2c1C)c1c(C)nn(CC)c1C 19500416 CXHNJSIEXQUNKC-KRWDZBQOSA-N 353.466 4.764 0 40 FJAB CCOc1cc(CN[C@@H](Cc2cccs2)c2nccs2)ccc1OC 19532141 DHUOICPENPQQSS-INIZCTEOSA-N 374.531 4.686 0 40 FJAB Cc1c(-c2cccs2)nn2c([C@H]3CCN(Cc4ccccc4)C3)ccnc12 19557705 ABPMAHLAGSIPRH-SFHVURJKSA-N 374.513 4.756 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2ccc(CO)o2)c1 20151197 NEIHMXUBWSOMDZ-UHFFFAOYSA-N 373.861 4.823 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20487475 UTQYMDOXSOZJIZ-UWJYYQICSA-N 355.478 4.675 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H](C)c1ccccc1)C3 20610180 HAVMCFFBWUJZJA-CQSZACIVSA-N 363.457 4.674 0 40 FJAB biogenic COc1ccc(-n2nc(Nc3ccc(C)c(C)c3)c3c2CCCC3=O)cc1 20796810 NKZIFKWEHBYYMA-UHFFFAOYSA-N 361.445 4.760 0 40 FJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCO[C@H](c2ccccc2)C1 27898709 RTMLBFVNSRGYTH-QFIPXVFZSA-N 359.425 4.693 0 40 FJAB O=C(c1ccc(COc2cccc(Cl)c2)o1)N1CCc2ccccc2C1 27969551 LVQOEHXFYOWXMX-UHFFFAOYSA-N 367.832 4.711 0 40 FJAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc(Cl)cc3)n[nH]2)o1 31801960 IRGVQUOABUOXHD-CMDGGOBGSA-N 359.838 4.505 0 40 FJAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 44856351 MAIRXFWYQHPQOP-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(SC(F)F)cc1 47320062 GYRZKTBSWJGVPP-UHFFFAOYSA-N 361.373 4.612 0 40 FJAB CSc1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)cc1 59457312 ZAXHXAVAPMFKDG-GZTJUZNOSA-N 370.499 4.823 0 40 FJAB Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1nc(-c2ccco2)no1 66301635 WZTBMEXFKLRPIE-SANMLTNESA-N 372.490 4.693 0 40 FJAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(-c2csnn2)cc1 69947123 WNBSXUIYHFNOQC-UHFFFAOYSA-N 358.492 4.520 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1CC(O)=Nc2c1cnn2C(C)C 71283141 HLFGAFSUXZQNSQ-MRXNPFEDSA-N 367.428 4.529 0 40 FJAB COc1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1 72358516 SYDDHUZZHKNJNO-NRFANRHFSA-N 373.500 4.574 0 40 FJAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(-c2ccccc2)cc1 89909822 LPPBHNVLJIEBCZ-QGZVFWFLSA-N 360.457 4.652 0 40 FJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccc(Cl)s1 90613539 JJMWITTWPVTMCC-CQSZACIVSA-N 369.920 4.536 0 40 FJAB CO[C@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccc(C)s1 96385918 BSQLVFASBCPFKF-QGZVFWFLSA-N 357.500 4.903 0 40 FJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccccc1 107960574 NOOMNMBZDHHPHL-IBGZPJMESA-N 366.486 4.804 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 219849942 CJWRSKFSEFBUAK-UHFFFAOYSA-N 362.395 4.869 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223218102 XYQDVJMSSDMGLH-DLBZAZTESA-N 351.490 4.943 0 40 FJAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224232642 OITSBODILUOMAS-UHFFFAOYSA-N 355.478 4.880 0 40 FJAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224913027 LMPJNHRVOLBXGJ-UHFFFAOYSA-N 364.445 4.937 0 40 FJAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(SC)cc1 224984217 CCUXHQSMDPSVBV-UHFFFAOYSA-N 355.912 4.586 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc2c3c(cccc13)CC2 225199359 XDYIDSTZZMGHJT-UHFFFAOYSA-N 357.453 4.835 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1 225485870 RPMVLWWJYKWVEA-LJQANCHMSA-N 367.518 4.560 0 40 FJAB CC[C@H](Nc1ncncc1-c1nc(-c2cccs2)no1)c1cccs1 225579241 HJIQHENFTHISHX-LBPRGKRZSA-N 369.475 4.880 0 40 FJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225690972 ZYQQDMSGEYAWOW-IFXJQAMLSA-N 371.905 4.534 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccccc1 225837937 NQUJRWZBDJWAQF-FGZHOGPDSA-N 351.490 4.990 0 40 FJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)c1 409220705 DQFRKELDBTXRPI-PXLXIMEGSA-N 368.436 4.755 0 40 FJAB CC[C@H](C)n1ncc(C(=O)NCC2CC(c3ccccc3)C2)c1C1CC1 585080364 AGBVGIIVAUORRJ-LYGPFTKASA-N 351.494 4.655 0 40 FJAB C[C@H](Cc1ccc(Br)cc1)NCc1ccc2cccnc2c1 589646120 VATZNDWNYYBJHF-CQSZACIVSA-N 355.279 4.718 0 40 FJAB COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1cnc(C)o1)CCO2 628181347 ZZAYNCOREDRDKC-OAQYLSRUSA-N 364.445 4.518 0 40 FJAB CC1=C[C@H](O)[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)CC(C)=CCC1 1077987855 XUVXBQLHPFQADG-PCCBWWKXSA-N 358.478 4.627 0 40 FJAB biogenic O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 903400 IRHIFNSLURGXRU-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB CC[C@H](OC(=O)c1cc(Cl)nc2ccccc12)C(=O)c1ccccc1 991687 GUMOQIYLEQCBCF-KRWDZBQOSA-N 353.805 4.707 0 40 FJAB O=C(Nc1ccccc1F)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1368580 JDQDTPJLOGSWSI-RTBURBONSA-N 367.468 4.533 0 40 FJAB FC(F)(F)c1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1 1386039 VHHDSRFLKFEJRV-UHFFFAOYSA-N 359.138 4.655 0 40 FJAB O=C(O)C1(Nc2ccc(-c3ccc(Br)cc3)cc2)CCCC1 1686529 UMPDIHDNTZZZOL-UHFFFAOYSA-N 360.251 4.925 0 40 FJAB CCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21 2427778 ADXDXYVBCLGXHT-UHFFFAOYSA-N 362.408 4.694 0 40 FJAB CCCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 2720881 KYVDRCJYCLPQGI-UHFFFAOYSA-N 367.449 4.898 0 40 FJAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 2721327 MWGPMWSTNQNPBU-GOSISDBHSA-N 369.468 4.884 0 40 FJAB CCOc1ccc(-n2c(SC)nnc2-c2c[nH]c3ccccc23)cc1 4061633 PDAFYPOUVSPKQE-UHFFFAOYSA-N 350.447 4.536 0 40 FJAB Cc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 4877657 RCHNNRJIGPLKOO-CRAIPNDOSA-N 373.250 4.527 0 40 FJAB O=C(Nc1nc(-c2ccccc2)cs1)c1c(F)c(F)c(F)c(F)c1F 6341444 SVQPDOCGUPEABI-UHFFFAOYSA-N 370.302 4.758 0 40 FJAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 7918772 AFCFVKHLOWDRGV-UHFFFAOYSA-N 356.853 4.590 0 40 FJAB CC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1 8209890 QMTIHIPJVMFMTL-UHFFFAOYSA-N 350.487 4.773 0 40 FJAB COc1ccc2nc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)sc2c1 8744390 JKPYRAMXOXIMFF-UHFFFAOYSA-N 351.431 4.655 0 40 FJAB O=C(CSc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904071 GJJOTNAOPMKDJC-UHFFFAOYSA-N 369.486 4.907 0 40 FJAB O=C(NCc1ccccc1OC(F)(F)F)Nc1nc2ccccc2s1 10364902 HPFOQARXXUPUDB-UHFFFAOYSA-N 367.352 4.517 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 11715404 UYJYXGDXMDCOJF-UHFFFAOYSA-N 365.260 4.769 0 40 FJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(OCc2ccccc2)cc1 12549985 USLYDVKWZOTOPP-UHFFFAOYSA-N 371.440 4.713 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc1 14680725 UKRKBLXMCJMBDI-UHFFFAOYSA-N 366.486 4.829 0 40 FJAB Cc1cc(C)cc(NC(=O)COc2ccccc2C2SCCS2)c1 14795259 ZGFJTVQYVRKYOQ-UHFFFAOYSA-N 359.516 4.800 0 40 FJAB Cc1ccc(C(=O)N2CCC(c3nc(C)n4c(C)c(C)sc34)CC2)cc1 19135163 ULIKLOPLRFKTDQ-UHFFFAOYSA-N 367.518 4.649 0 40 FJAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1Cl 20495902 OYKOUZYVLROMCQ-OAHLLOKOSA-N 372.896 4.833 0 40 FJAB CCN(c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1)C(C)C 31836006 IBAHXJATOCFLQC-UHFFFAOYSA-N 363.461 4.532 0 40 FJAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccccc1C(F)(F)F 32027844 AXXXPAHHPCBTFM-UHFFFAOYSA-N 359.307 4.540 0 40 FJAB COC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 32676061 KQRQDLIBTSNGQN-UHFFFAOYSA-N 359.425 4.629 0 40 FJAB Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 32899866 WAQDCRKYRSREMZ-UHFFFAOYSA-N 351.431 4.953 0 40 FJAB Cc1ccc(Nc2nn3c(C)cc(C)nc3c2NC(=O)c2ccccc2)cc1 35671243 LZMDNLIVLPAYDD-UHFFFAOYSA-N 371.444 4.650 0 40 FJAB O=C(CSCc1cccs1)Nc1cccc(CN2CCCCC2)c1 40089045 BFNJEMWVQFZPRO-UHFFFAOYSA-N 360.548 4.606 0 40 FJAB Cc1oc(C)c(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)c1C 40112347 TUSOMGPHITXIJE-HNNXBMFYSA-N 354.494 4.509 0 40 FJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCC[C@@H]2CCCC[C@H]21 40130502 YRQXCKIPKKXNRH-MAUKXSAKSA-N 357.425 4.793 0 40 FJAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc3ccccc3s2)c1 57369457 OZFUVGPOMNGTBG-QGZVFWFLSA-N 354.475 4.651 0 40 FJAB CC(C)n1cnnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 58029869 XCRDDQBVGMABJM-OAHLLOKOSA-N 366.490 4.965 0 40 FJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc(Br)c2)S1 71284395 ITKDQWZCGRNXIJ-CYBMUJFWSA-N 366.284 4.818 0 40 FJAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccs2)s1 71326557 FMHCROUBNDTXQB-UHFFFAOYSA-N 357.504 4.749 0 40 FJAB Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 72349965 KKEQGYHYBCVIFP-GOSISDBHSA-N 366.896 4.515 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 72374739 IQXRVCHVMLHIAV-JOCHJYFZSA-N 362.517 4.877 0 40 FJAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N(Cc1ccccn1)c1ccc(F)cc1 79140521 OWETXHFQRCNJMH-WOJBJXKFSA-N 364.395 4.697 0 40 FJAB COc1ccc2nc(NC(=O)N(C)[C@@H](C)c3ccccc3F)sc2c1 84660611 JJOIXTGCUKZKGU-NSHDSACASA-N 359.426 4.669 0 40 FJAB C[C@H](NC1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90799985 TUZAINVKHTTYJS-SQNUNTJVSA-N 355.322 4.678 0 40 FJAB O=C(N[C@@H](CSC(F)(F)F)c1ccccc1)OCc1ccccc1 95918348 UYGVTTJNIXIBSO-HNNXBMFYSA-N 355.381 4.907 0 40 FJAB Cc1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)s1 95956484 KGJWNJFSXWVFCS-UHFFFAOYSA-N 369.515 4.595 0 40 FJAB O=C(N(Cc1ccc(F)cc1)C1CC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100990169 DVGQXSIWJJFXNM-AJHHTPGJSA-N 361.888 4.895 0 40 FJAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 113970480 QIYNECQAGFVHRO-SFHVURJKSA-N 361.869 4.521 0 40 FJAB CC1CCN(c2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)CC1 141540324 RCHUBPPUAICWMN-UHFFFAOYSA-N 368.496 4.770 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccco3)on2)cs1 208008428 PLWAUAAERGPAIR-UHFFFAOYSA-N 351.387 4.619 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 222557546 YIAXRWVKZQNZGG-UHFFFAOYSA-N 361.441 4.764 0 40 FJAB COc1ccc(OC)c(NC(=O)c2cc3cc4ccccc4nc3s2)c1 223130999 FJLQRXSYGUNHQH-UHFFFAOYSA-N 364.426 4.719 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1cc(C)cc(C)c1 224529318 RGYWOHMAVSOSBF-UHFFFAOYSA-N 367.489 4.954 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCCC2)cc1 224935559 KSABQOIDJILGOK-HXUWFJFHSA-N 352.478 4.700 0 40 FJAB COc1cccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224976919 KNOZACGNZRCOIX-UHFFFAOYSA-N 359.469 4.654 0 40 FJAB O=Cc1cn(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 226366801 GXFYVAOFMLLHJI-UHFFFAOYSA-N 362.610 4.558 0 40 FJAB CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 242435430 BKTWWNSRYGDNQG-UHFFFAOYSA-N 356.775 4.824 0 40 FJAB O=C(COc1ccc(Cl)cc1)NCc1nc(C2CCCCC2)cs1 390832311 YONOLJVYMSJNAI-UHFFFAOYSA-N 364.898 4.539 0 40 FJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccs1 408561280 HKTFVHLMKOSHPK-VXPUYCOJSA-N 356.516 4.964 0 40 FJAB CCCc1sc(=Nc2ccccc2OC)[nH]c1-c1ccc(OC)cc1 408753981 CUTQPEJVKVNZPC-UHFFFAOYSA-N 354.475 4.945 0 40 FJAB CCOC(=O)Cn1c(C)c(-c2nc3ccccc3s2)c2ccccc21 409192376 BRKWJAHCMZHTSK-UHFFFAOYSA-N 350.443 4.790 0 40 FJAB COc1cccc2c1CCCCN2C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 513889256 PLSGSZQGOLMOEU-KGLIPLIRSA-N 355.400 4.733 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CC[C@H](C)CC1 594680034 TUMLFMPXKHROPP-SAZUREKKSA-N 358.507 4.892 0 40 FJAB O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N1CCc2ccc(Cl)cc21 1312064751 PFIRXBGAMNJSJJ-PKOBYXMFSA-N 354.881 4.824 0 40 FJAB Cc1ccc(OCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 848347 BZAXOUQDRKBYID-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB Cc1cc(N2C(=O)C(F)(F)[C@H]2c2cccc(F)c2)ccc1Br 3231204 ONUHYLDWSHCAOO-CQSZACIVSA-N 370.168 4.620 0 40 FJAB C[C@]1(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl 3270250 GTGVWYSXYYMSIO-FUHWJXTLSA-N 363.240 4.738 0 40 FJAB Cc1ccc2c(COC(=O)c3cc(Cl)ccc3Cl)cc(=O)oc2c1 3512604 KUPWZAWGFXAPGK-UHFFFAOYSA-N 363.196 4.765 0 40 FJAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1C 4033389 GCPGREPYHRRPLC-GOSISDBHSA-N 361.489 4.830 0 40 FJAB CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 4723590 OHVZAVLCHNLQLN-UHFFFAOYSA-N 350.340 4.696 0 40 FJAB CCN1CCC[C@H](OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 4863299 ORONCDNHWTZLKC-IBGZPJMESA-N 374.484 4.851 0 40 FJAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccc(CC)cc1)C2 4911816 GMXDKLFXMPMPLY-MRXNPFEDSA-N 353.462 4.619 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1 6306979 FGBFZGLKBKGRMH-AWEZNQCLSA-N 358.869 4.612 0 40 FJAB CCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1 6600856 MRIXAIWOKHKCTL-UHFFFAOYSA-N 359.404 4.658 0 40 FJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3sccc3C)cc2)cc1 7769594 ZBRFTSPDSMJDAW-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccccc1 8495526 HKNVWHOCIIQGRA-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB CCCN1CCC(Nc2nc(-c3ccsc3)nc3ccccc23)CC1 8745222 FXJSSDMGLSLBCC-UHFFFAOYSA-N 352.507 4.645 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1Cl 9901842 BRBWKRKOWJZSJA-CMDGGOBGSA-N 350.849 4.728 0 40 FJAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(Cl)c2)c1 10166018 OJRORNCLWSXPMA-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)c(Cl)c1 12730564 WRLHXCYQANQOHF-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)cs1 12997879 BJOUCJPNUKXBFU-UHFFFAOYSA-N 360.385 4.561 0 40 FJAB C/C=C/c1ccc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)c(OC)c1 14182695 YTQVKSAMWUNKHF-YVARQFDVSA-N 359.853 4.638 0 40 FJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)cc1 14552587 FZIGRNPHPWENAG-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2ccccc2C(F)(F)F)c1 14601828 TXZGIXSTHLZAGE-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB CC(=O)Nc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1 16321515 CGXUJPWHPKMLRJ-UHFFFAOYSA-N 369.837 4.595 0 40 FJAB COc1ccccc1Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C 17121615 XSCQEYKFNSUYQR-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB OC(CNCc1ccc(Cl)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 20365907 BYWPVERJPJMBAW-UHFFFAOYSA-N 373.830 4.644 0 40 FJAB CC(=O)[C@H](C)SC(C)(C)CNc1ncc(C(F)(F)F)cc1Cl 20385508 YRJSSZOFXQCOLF-VIFPVBQESA-N 354.825 4.655 0 40 FJAB O=C(c1ccc(COc2ccc(F)cc2Cl)o1)N1CCCCCC1 28233844 HPLXVPFLPCULQY-UHFFFAOYSA-N 351.805 4.667 0 40 FJAB Cc1nc(NC(=O)c2cc3cc(Br)ccc3o2)sc1C 28250214 GHNIIRUHPMCGST-UHFFFAOYSA-N 351.225 4.521 0 40 FJAB COc1cccc(COC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 28577987 AFPJMARIPXXNEI-UHFFFAOYSA-N 372.804 4.878 0 40 FJAB CC[C@@H](C)C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 32647747 SWBRSMBJVPUEJF-SNVBAGLBSA-N 370.280 4.828 0 40 FJAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2nsnc12 57313974 QCTLGWAEKBIDCR-UHFFFAOYSA-N 369.490 4.785 0 40 FJAB CCCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57314350 JIWBDIUIGRCRHP-UHFFFAOYSA-N 365.521 4.528 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc(-c2cnco2)cc1 58423555 VMZDNIFBDCMBAR-UHFFFAOYSA-N 356.385 4.733 0 40 FJAB COc1ccc(-c2csc(Nc3ncnc4ccccc34)n2)cc1F 58593171 SRMIUUPDJXCFHI-UHFFFAOYSA-N 352.394 4.645 0 40 FJAB CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215576 OLWOHLVAFVNJFR-SFHVURJKSA-N 359.514 4.923 0 40 FJAB CC(C)c1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 72328841 LJVVJCFXUVSYQK-UHFFFAOYSA-N 353.853 4.784 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)C3CCCCC3)C2)n1 72374740 IQXRVCHVMLHIAV-QFIPXVFZSA-N 362.517 4.877 0 40 FJAB O=c1c2ccccc2nc(SC/C(Cl)=C/Cl)n1C1CCCC1 98056193 TXVGQCLLQKSEKF-LUAWRHEFSA-N 355.290 4.923 0 40 FJAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]132 119377542 IAAONRVTBJWTGZ-IQBPWVFJSA-N 374.521 4.502 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 219005253 NSPCHAHSNFSTNL-FQEVSTJZSA-N 373.496 4.978 0 40 FJAB O=C(CCc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225711409 ZIOLUCCJCMPNDI-UHFFFAOYSA-N 361.829 4.569 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 225717943 GQWJVPWKBPBWGI-OAHLLOKOSA-N 364.898 4.795 0 40 FJAB O=C(Nc1cc(-c2cc3ccccc3oc2=O)ccc1Cl)C(F)(F)F 226358308 RUYUPTZWNPKWIJ-UHFFFAOYSA-N 367.710 4.614 0 40 FJAB CC(C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 409059545 RZVWQINDPKGIHU-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB c1ccc2c3c([nH]c2c1)CN(Cc1ccc(OCc2ccncc2)cc1)CC3 533991740 QHGBNLKHXXGSGD-UHFFFAOYSA-N 369.468 4.700 0 40 FJAB COc1ccc(-c2cc(CNc3nc(Cl)nc4ccccc34)on2)cc1 1640139490 FMCSEVICIVWZKT-UHFFFAOYSA-N 366.808 4.559 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1cccc(Cl)c1 1775966764 XXLAFBLRZSKJOH-SFHVURJKSA-N 357.862 4.532 0 40 FJAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3csc(C)n3)cs2)nc1 1848353798 FVKNOPDTWMJPTF-INIZCTEOSA-N 371.535 4.692 0 40 FJAB CC(=O)N1c2ccccc2[C@H](N(C(=O)C(C)(C)C)c2ccccc2)C[C@@H]1C 2275680 JLNBDQQOBFYYLP-HRAATJIYSA-N 364.489 4.952 0 40 FJAB CC(C)c1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3nnnc3N2)cc1 2500080 YWLDSRRZNJLYBW-QZTJIDSGSA-N 353.857 4.596 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1 2723057 CJNXRUVLRFVDAS-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB CCN(C(=O)CSc1ccc(Br)cc1)C1CCCCC1 3222851 BGHUCQKPXYHISQ-UHFFFAOYSA-N 356.329 4.722 0 40 FJAB COc1cccc(-c2noc(COc3ccc(-c4ccccc4)cc3)n2)c1 3457061 ZNMPNXPIFLZAJT-UHFFFAOYSA-N 358.397 4.991 0 40 FJAB O=C(OCC[C@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 3845697 MOPMQHZBNQGXMO-NRFANRHFSA-N 360.409 4.832 0 40 FJAB biogenic CN1C/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1 3885060 IASRGCJDRXUYIV-GXDHUFHOSA-N 364.832 4.572 0 40 FJAB COc1ccc(NC(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1 4649859 FTXMUMVYLXJQKO-UHFFFAOYSA-N 372.428 4.962 0 40 FJAB CCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 6231819 MYMSUDRRSAJOJG-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(O)c(Cl)c3)C2=O)c1 6478714 FMRLFJGSRPKPTF-CXUHLZMHSA-N 359.834 4.591 0 40 FJAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nnc(-c2cccs2)o1 6843125 IJUWZOBAVSKCNZ-LLVKDONJSA-N 370.459 4.625 0 40 FJAB CC[C@H](C)Cc1c(C)sc2nc(CNc3ccc(C)cc3)[nH]c(=O)c12 7002562 SCKSTXXEVWUZRK-LBPRGKRZSA-N 355.507 4.802 0 40 FJAB CCCc1n[nH]c(=S)n1NCc1ccc2c(c1)c1ccccc1n2CC 7365389 ICWBKJRRRKQXQF-UHFFFAOYSA-N 365.506 4.765 0 40 FJAB C[C@H](NC(C)(C)C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7978016 IKHLJWYKFSZSKT-AWEZNQCLSA-N 367.518 4.602 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 8040732 AUGAZYFKLXGKGW-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)C3CCCCC3)cc2c1 9458583 LSALVNLLYYRMCE-UHFFFAOYSA-N 374.484 4.812 0 40 FJAB O=C(Nc1ccc2scnc2c1)c1ccc(C(=O)c2ccccc2)cc1 10217419 QHUBPJASVSXHCZ-UHFFFAOYSA-N 358.422 4.780 0 40 FJAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10276602 VTLVOLPFCLKJKU-JKSUJKDBSA-N 355.478 4.637 0 40 FJAB Cc1cccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1C 10507506 ZEBUTVZJAVNXOT-UHFFFAOYSA-N 372.472 4.687 0 40 FJAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCc2sccc2C1 12215836 IMBONXKCVXHZQA-UHFFFAOYSA-N 367.445 4.665 0 40 FJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)sc1Cl 12436096 MIVKXQDMXDYGFD-UHFFFAOYSA-N 355.246 4.656 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1ccc(F)cc1 12778364 VYGQRSOIKCEVHP-IBGZPJMESA-N 364.420 4.777 0 40 FJAB CCCCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 13136795 UMCNJIUBQBUBJQ-HTZLVSCSSA-N 366.505 4.548 0 40 FJAB Cc1ccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)s1 13992659 BKXJEHXYMHVQRJ-UHFFFAOYSA-N 357.567 4.763 0 40 FJAB O=C(Nc1nc2ccccc2[nH]1)c1csc(-c2ccc(Cl)cc2)n1 14084786 UXYRZWYEQMIFKV-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccc2ccccc2c1 14201385 LFLNELPFZXJASF-SFHVURJKSA-N 350.506 4.667 0 40 FJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C)cc2)o1 15881433 KLKAXPYAHJYTNQ-UHFFFAOYSA-N 374.444 4.591 0 40 FJAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 17729486 RZHQXFXLIKOEAO-DTQAZKPQSA-N 369.424 4.819 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1Cl 20450424 REOAUISAWIGLJW-FQEVSTJZSA-N 359.897 4.863 0 40 FJAB CCCCOc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 20478894 BIKGFMIIUJXGPR-UHFFFAOYSA-N 366.486 4.919 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC1CCCCCCC1 21335030 BOQZQKGGIGYGTR-UHFFFAOYSA-N 362.420 4.782 0 40 FJAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1Cl 22072385 HVZVBANFSMMSSR-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB O=C(Nc1ccccc1N1CCCC1)c1ccc(OCc2cccnc2)cc1 24766593 SXFDSAVPKBGTKB-UHFFFAOYSA-N 373.456 4.513 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539835 MJHDGJMETLGTJI-UHFFFAOYSA-N 373.256 4.853 0 40 FJAB C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 30859160 REUQJQFCFDSJJF-OAHLLOKOSA-N 371.433 4.658 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cc1 32800909 LICQESNQZBACQZ-UHFFFAOYSA-N 351.427 4.782 0 40 FJAB COc1cccc(-c2nnc(SCc3ccncc3)n2-c2ccccc2)c1 32931609 NVOZEBYXIPUNHD-UHFFFAOYSA-N 374.469 4.630 0 40 FJAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(O)cc1 32942909 FTRUQNWVTAJOLU-UHFFFAOYSA-N 371.392 4.580 0 40 FJAB Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1F 56103146 VQLWHRXNSRKDAS-KBPBESRZSA-N 369.362 4.627 0 40 FJAB O=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412103 BAQQKVMTYKAAFK-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB COc1cccc(CN(C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 58035147 XIQPEKZODANUFS-ZDUSSCGKSA-N 357.841 4.592 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)[C@H](C)n3cnc4ccccc43)cn2)cc1 58159508 QERDJBAONUWNMA-INIZCTEOSA-N 372.428 4.732 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)c3nccc4ccccc34)cc2)cs1 58162395 JRZSPJGGHTUTCW-UHFFFAOYSA-N 373.481 4.639 0 40 FJAB Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)on2)cc1 71817047 QNDZRIWCMVRZMW-NRFANRHFSA-N 358.441 4.942 0 40 FJAB O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(Cl)c1Cl 85651292 QRURJXYCGFLAQW-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB COC1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 96104516 VLDUTVBCRJBLCK-UHFFFAOYSA-N 359.857 4.599 0 40 FJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)c(F)c1)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194811 QOSKTUBJFPMFKX-AXMVJVEQSA-N 355.384 4.960 0 40 FJAB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)ccc1O 102725656 ZNIHEZQKQKLYRD-KRWDZBQOSA-N 354.406 4.547 0 40 FJAB CONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 102873218 XUGPOWXZYFTPBW-SQFISAMPSA-N 362.404 4.542 0 40 FJAB CC(=O)c1sc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)nc1-c1ccccc1 106540822 JQHFBLJDKQKNDC-BPUTZDHNSA-N 354.475 4.778 0 40 FJAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 216779737 SXOICWUEQMWCQN-UHFFFAOYSA-N 369.642 4.858 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccccc2C)cc1 222879884 VZIDTHRCPGFJDH-NRFANRHFSA-N 371.546 4.764 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc2c(c1)CCCC2 223072995 OLODNNXBMJCSOX-JTSKRJEESA-N 351.490 4.909 0 40 FJAB CC(C)Oc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225867242 LPGTYAUJPFQCNL-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB O=C(O)c1ccc(Cc2cn(CCc3ccccc3)c(=S)s2)cc1 252487703 IAGJSJJNJXWGCV-UHFFFAOYSA-N 355.484 4.811 0 40 FJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc2ncsc2c1 675007892 ZTAKFUFUDMQXNA-CQSZACIVSA-N 354.456 4.513 0 40 FJAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)c1ccccc1 639106 PVBFIENXKIWGBB-GFCCVEGCSA-N 368.816 4.585 0 40 FJAB CC1(C)C(=O)O[C@@H](c2ccc(Br)cc2)C2(CCCCC2)C1=O 709420 SXOVKGZOQVTZBV-AWEZNQCLSA-N 365.267 4.593 0 40 FJAB CC(C)COc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 1245234 ULUIIUNAFOLEOS-JOCHJYFZSA-N 351.490 4.784 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(CCC)cc2)cc1 1886284 HARWISKUZDSZHR-UHFFFAOYSA-N 369.461 4.614 0 40 FJAB COc1ccc(CNCC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1OC 2106270 YNIYTXHJCHUJKZ-RBUKOAKNSA-N 363.542 4.661 0 40 FJAB biogenic COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1 2224133 WHJFMIUJQHNCPN-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB COc1ccccc1-c1cc(C(F)(F)F)nc(NCCc2ccccc2)n1 4757740 QMDXOXMTTFRBAW-UHFFFAOYSA-N 373.378 4.826 0 40 FJAB COc1ccccc1-n1c(/C=C/c2ccc(C)cc2)nc2ccccc2c1=O 4934844 YJNJWQOKERIJAB-FOCLMDBBSA-N 368.436 4.873 0 40 FJAB CCc1ccc(-n2nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 8087517 HFSYCOBUQPCUFJ-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1Cl 8328797 FQIUCHTWHPXUBD-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB Oc1nc(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 11990966 ZIPMQQWURHZEJI-UHFFFAOYSA-N 364.257 4.843 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 12808830 PAPIUDALEMAUCL-UHFFFAOYSA-N 355.365 4.567 0 40 FJAB C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 12857405 LKHBFHADFVPHLH-LANCPOTRSA-N 367.228 4.591 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)c3ccco3)cc2)o1 14142169 GYJBZYYFMMBCEI-OAHLLOKOSA-N 373.412 4.796 0 40 FJAB COc1ccc(-c2noc(CN(C)Cc3ccc(C(C)C)cc3)n2)cc1 15299613 KEXDDDZMXMIAPT-UHFFFAOYSA-N 351.450 4.501 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 16023589 DWBAIFNMGFEKEY-UHFFFAOYSA-N 367.408 4.752 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)c1nc(Cl)ccc1Cl 16723401 TYBZRQMUSHTZLI-UHFFFAOYSA-N 357.266 4.540 0 40 FJAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cccs4)C3)cc2c1C 19582678 UVRLRSHEDGDSJV-INIZCTEOSA-N 366.486 4.633 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1cccc(C)c1 22511568 ZIIWZPDSOAUNCE-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1OC 25403218 CFCMMHDZOQJKGY-UHFFFAOYSA-N 372.446 4.598 0 40 FJAB Cc1ccccc1Cn1cc(NC(=O)Nc2ccccc2C(F)(F)F)cn1 27920380 JRXKJDRETDFZCZ-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB O=C(NCc1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 28200234 AUVWXENSQPCAON-UHFFFAOYSA-N 372.346 4.823 0 40 FJAB C[C@H](NCc1csc(Br)c1)c1ccc(-n2ccnc2)cc1 30544933 UFAJMTAAIKFVBG-LBPRGKRZSA-N 362.296 4.547 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 30752369 BEEQGOVMJNUSIB-CVEARBPZSA-N 373.518 4.679 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc2ncccc12 31689215 YMQWOXBWHQTFNE-LLVKDONJSA-N 361.228 4.948 0 40 FJAB C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(-n2cccc2)cc1 32609614 QFLULSHMJZNWMT-GFCCVEGCSA-N 360.791 4.900 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 32610059 UGNWTWPKLFUUGT-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB C[C@H]1CC(=O)c2c(OCc3nc(-c4ccc(Cl)cc4)no3)ccc(F)c21 32814300 WLRNEMKQUDQNFZ-JTQLQIEISA-N 372.783 4.798 0 40 FJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccccc1OC 35311593 KAJPQVLFKITPAA-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)cc1 39758199 DAYVGLDUNOYFDR-UHFFFAOYSA-N 358.485 4.999 0 40 FJAB O=C(c1ccc(COc2ccccc2)o1)N1CCCc2ccc(F)cc21 40117232 JAUSAEVOLXDDRM-UHFFFAOYSA-N 351.377 4.591 0 40 FJAB CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 48273326 NDCPNGWXADTNAC-ZDUSSCGKSA-N 351.406 4.582 0 40 FJAB CC[C@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 61997201 PQJYOVKZDKBTCW-GOSISDBHSA-N 365.498 4.826 0 40 FJAB COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)c1 69583247 UIRHQKUWLCQHJJ-QFIPXVFZSA-N 360.457 4.507 0 40 FJAB Cc1nc(S(=O)(=O)[C@H](C)c2ccccc2F)n(C2CCCCC2)c1C 95373528 ZBVANGGUXAIAQP-OAHLLOKOSA-N 364.486 4.679 0 40 FJAB CCN(C(=O)c1csc(C)n1)[C@H](c1ccc(Cl)cc1)c1ccccn1 95958964 ZZWJDGFXLBRMEL-GOSISDBHSA-N 371.893 4.752 0 40 FJAB COc1ccc2c(c1)c(C(=O)CN1C[C@]3(C)C[C@@H]1CC(C)(C)C3)c(C)n2C 100743861 NPEAVBVVTBDHLM-QMHKHESXSA-N 368.521 4.579 0 40 FJAB C[C@H](c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 107349873 CGFWEOJYWXJTOX-RHSMWYFYSA-N 369.415 4.955 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 139521847 GZGQEJKVUOAFLH-UHFFFAOYSA-N 352.478 4.602 0 40 FJAB O=C(CSCc1ccccc1F)Nc1ccc(N2CCCCC2)cc1 224976584 NGPLTMXZJBAZHH-UHFFFAOYSA-N 358.482 4.688 0 40 FJAB Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 225038772 VQLJBOJOLWKELV-UHFFFAOYSA-N 374.421 4.752 0 40 FJAB Nc1cc(C(=O)NC2CC2)ccc1Nc1ccc(Oc2ccccc2)cc1 225432397 CVNZBRDVVMMZJG-UHFFFAOYSA-N 359.429 4.697 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCC[C@@H]1C 226330089 MHDPWPXBFGUIHR-AWEZNQCLSA-N 357.885 4.862 0 40 FJAB c1cncc(CN2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)c1 306134295 NIBDXMCEOWGMLY-GOSISDBHSA-N 360.486 4.795 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)CSCc1ccccc1 575621699 RIFAKYODGDKFCQ-HNNXBMFYSA-N 355.528 4.882 0 40 FJAB O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)N1CCc2ccc(Cl)cc21 1312064750 PFIRXBGAMNJSJJ-MJGOQNOKSA-N 354.881 4.824 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 783336 LVIHBAOJLDYRQG-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB O[C@@H](c1ccc(Br)cc1)[C@@H](c1ccccc1)N1CCCCC1 819932 NQEUTDJMHPUYIZ-MOPGFXCFSA-N 360.295 4.710 0 40 FJAB O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1cccc(Cl)c1 1011759 KSXSXHAKLYVLHB-AUWJEWJLSA-N 366.225 4.940 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 1358646 NZINWFDLRBNCBJ-UHFFFAOYSA-N 356.878 4.970 0 40 FJAB Cc1ccc(Nc2nc3nonc3nc2N[C@H](C)c2ccccc2)cc1C 1421567 QFAUZIRDSKDMEI-CQSZACIVSA-N 360.421 4.546 0 40 FJAB Cc1ccc(NP(=O)(OCC(F)(F)F)OCC(F)(F)F)c(C)c1 1852476 MGVISSRBFRLVTD-UHFFFAOYSA-N 365.210 4.981 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CCCC2 1937422 CGEMTIYZZIUQFY-OUKQBFOZSA-N 369.486 4.764 0 40 FJAB Cc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)no1 2577719 WGOMSKVANVOAJH-UHFFFAOYSA-N 352.177 4.506 0 40 FJAB O=C(OCc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 3343467 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Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 8039268 GHWQIQWEGZKDPE-UHFFFAOYSA-N 372.471 4.594 0 40 FJAB C[C@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(=O)O1 8326250 SOIHZPDWALMKBI-BBRMVZONSA-N 351.427 4.805 0 40 FJAB O=C(/C=C/c1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 8673457 OURQCPCYGVCLPE-MDZDMXLPSA-N 366.848 4.901 0 40 FJAB Fc1ccc(-c2c[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 9337934 OWSVROZLDNSQTE-UHFFFAOYSA-N 352.394 4.558 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cccc(OCc2csc(C)n2)c1 9483115 LMRFFVCZOIMYCW-UHFFFAOYSA-N 368.458 4.600 0 40 FJAB COc1ccccc1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 10803095 VUSQBFPRMLCVDV-QHCPKHFHSA-N 363.432 4.625 0 40 FJAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)cc1 11917268 WDIRJLMHWHERNY-HXUWFJFHSA-N 374.912 4.552 0 40 FJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@H]1c1cccnc1 12771525 JFJVJAVFQOEMBB-NRFANRHFSA-N 370.518 4.655 0 40 FJAB CCOc1ccccc1NC(=O)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 13154134 DZBNRLJJOLPANB-FZZOXDGRSA-N 368.304 4.880 0 40 FJAB CCCCC(=O)Nc1nc(-c2ccc(SC)c(NC(C)=O)c2)cs1 14066740 POQQOPPCTMDSMY-UHFFFAOYSA-N 363.508 4.619 0 40 FJAB CSc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 14084796 ISEAEUMAMUZFTF-UHFFFAOYSA-N 356.422 4.774 0 40 FJAB CCCn1c(NC(=O)c2csc(-c3ccccc3)n2)nc2ccccc21 15554184 VZVFEUGGIWVZMW-UHFFFAOYSA-N 362.458 4.822 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 15625172 PQPOZZXYHRJPGH-UHFFFAOYSA-N 352.217 4.811 0 40 FJAB Cc1csc([C@@H](Cc2cccs2)NCc2ccc(F)c(F)c2)n1 19240080 WXJFIKYJKKVGMM-MRXNPFEDSA-N 350.459 4.865 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NCCSc1ccc(Cl)cc1 20485359 FVPXZGIZLJEGGE-CQSZACIVSA-N 363.910 4.578 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2OC)o1 28236192 GIDFIQOTKVMTKW-UHFFFAOYSA-N 367.401 4.518 0 40 FJAB CC(C)c1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 28248749 CVEPTZQFZBOGPS-UHFFFAOYSA-N 365.524 4.510 0 40 FJAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 32883705 FCVMTURORSSXGX-ZHRRBRCNSA-N 364.489 4.890 0 40 FJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc2ccccc12 33709470 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MXRPGWKLCDYAAJ-IRXDYDNUSA-N 352.434 5.000 0 40 FJAB Cc1ccccc1CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77191111 LIIWQNIAOKHDOV-UHFFFAOYSA-N 373.378 4.663 0 40 FJAB Cc1ccc([C@H](NC(=O)C2C[C@@H]3CC[C@H](C2)C3=O)c2ccccc2)cc1C 89643190 YRPRRKAMGHTRBN-IUPYZPJSSA-N 361.485 4.514 0 40 FJAB Cc1nc(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)c2cccnc2n1 95386002 RCKCHFQPNIKOTK-SFHVURJKSA-N 361.836 4.583 0 40 FJAB O=c1cc(-c2ccccc2)c2ccc(Oc3ncc(Cl)cn3)cc2o1 98007466 LDVKBAYOUILCRY-UHFFFAOYSA-N 350.761 4.696 0 40 FJAB O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(Cl)cc1 102940388 BUFPZLCUUGTEEP-UHFFFAOYSA-N 364.228 4.554 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1cc(Cl)cc(Cl)c1 223898023 FGKSCXCMLYYTOH-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)CCSc2ccc(Cl)cc2)c1 224055317 RBNZRVPXRXIAKD-UHFFFAOYSA-N 363.910 4.634 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1 225710091 ZZPBHJOZULXMBD-KRWDZBQOSA-N 358.507 4.758 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1C[C@@H](C)C[C@H](C)C1 226330509 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368.908 4.656 0 40 FJAB CCCCOC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778557 YXQWIILPFRMCGO-VXGBXAGGSA-N 364.536 4.640 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C(C)C)n2)cc1 4958787 AJGBOVQXYDZTCP-UHFFFAOYSA-N 363.461 4.713 0 40 FJAB Cc1ccc(N[C@H](c2ccccc2)c2nnnn2-c2c(C)cccc2C)cc1 5363273 YIDFJHQEYBCWAE-OAQYLSRUSA-N 369.472 4.789 0 40 FJAB CCCCCOc1ccc(C(=O)Oc2ccc(C3OCCO3)cc2)cc1 5418917 CUSMYUBBNKVECL-UHFFFAOYSA-N 356.418 4.520 0 40 FJAB CC[C@]1(C)Cc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)CO1 6197448 DXGHJMJMJRGTHX-GOSISDBHSA-N 364.536 4.867 0 40 FJAB O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nn1-c1ccccc1 6337687 BYENWHOZVGHLAT-UHFFFAOYSA-N 367.452 4.512 0 40 FJAB C[C@@H]1C[C@H](NC(=S)NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1 6437943 VNQRHLZZPSCMGT-PWSUYJOCSA-N 373.349 4.813 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(/C=C/c2ccccn2)c1 6822742 CADXGSXARRDLHZ-VAWYXSNFSA-N 353.425 4.915 0 40 FJAB Cc1ccc(NC(=O)c2sc(=S)n(-c3ccc(C)cc3)c2N)cc1 7499930 UFTDMBFQYLHROP-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB O=C(CNc1cccc2ccccc12)Nc1ccc(N2CCCCC2)cc1 7955207 CRZSZYXGMBVLDZ-UHFFFAOYSA-N 359.473 4.881 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 9135404 RLZRLJIGKCLLQU-UHFFFAOYSA-N 372.424 4.938 0 40 FJAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 9723979 QJFGLSJDILNPOJ-ZDUSSCGKSA-N 356.472 4.538 0 40 FJAB COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccc(C)cc2)nc1C 12535211 FLJHNJCJLRBWJI-UHFFFAOYSA-N 357.413 4.695 0 40 FJAB Cc1cccc(-c2nnc([C@H](C)Nc3ccc4c(c3)OC(F)(F)O4)o2)c1 12538261 ZUUCFFGPJBIPQQ-NSHDSACASA-N 359.332 4.540 0 40 FJAB Cc1cccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 12627374 ZEDUDTHIBKHNSE-OAQYLSRUSA-N 369.468 4.596 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)c(C)c1 13613874 VIAWUHVCFIYSFF-UHFFFAOYSA-N 357.475 4.601 0 40 FJAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc2cc[nH]c2c1 13733308 XXJMAGBTZYIMBB-UHFFFAOYSA-N 351.406 4.991 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)o1 14231952 XLXZDDLQXUSSGV-OAHLLOKOSA-N 361.445 4.584 0 40 FJAB CC(C)=CCC[C@](C)(O)[C@@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 14611868 GZLIPAFSJXROEC-UGKGYDQZSA-N 358.478 4.694 0 40 FJAB biogenic,in-vitro CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 17073657 KRLVUFFVUKXKJR-CQSZACIVSA-N 356.491 4.649 0 40 FJAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(Oc2ccccc2)cc1 20106485 AXHOUAUPUZOKSK-UHFFFAOYSA-N 361.369 4.558 0 40 FJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(Cl)c1Cl 20138657 FILVLGROYAOREW-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20453888 UYPOYVRGIQVDEA-KRWDZBQOSA-N 363.457 4.711 0 40 FJAB O=C(COc1cccc(Cl)c1Cl)N1CCSc2ccccc21 23487533 LFPFOYGMDCJRBS-UHFFFAOYSA-N 354.258 4.511 0 40 FJAB COc1cccc(-c2nc(CSc3cc(C)nc(C)n3)cs2)c1OC 24568179 UPEJPQYIXBDBMU-UHFFFAOYSA-N 373.503 4.526 0 40 FJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Cl)cc2)cc1 27027430 IQTQWGVUWIOZON-UHFFFAOYSA-N 374.893 4.531 0 40 FJAB COc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1F 32745001 YAIIBLJKLHARAS-GFCCVEGCSA-N 365.832 4.523 0 40 FJAB Cc1nc(COc2ccccc2)sc1C(=O)NCCC1=CCCCC1 36107965 FBCPYGAHUIVRJF-UHFFFAOYSA-N 356.491 4.651 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2nc3ccccc3n2C(F)F)cc1 40039184 UWQKFNQJOOPPJP-QGZVFWFLSA-N 357.404 4.777 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccc(Cl)cc1 44904666 YBUKGJLXJRTGEV-QGZVFWFLSA-N 367.873 4.545 0 40 FJAB Cc1ccc(S(=O)(=O)c2nc(NC3CCCCC3)sc2Cl)cc1 57291938 OOHQWDIWVUMRAH-UHFFFAOYSA-N 370.927 4.682 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 67339216 BVLBMYQYYGXEIZ-VQHVLOKHSA-N 354.793 4.697 0 40 FJAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(Oc2ccccc2)nc1 72212179 UAHRIALQRQCRDK-UHFFFAOYSA-N 370.449 4.752 0 40 FJAB CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@H]1c1cscn1 83881768 AEYMVKJBZDYYKO-KRWDZBQOSA-N 355.850 4.592 0 40 FJAB CCO[C@H](C)c1nc(C(=O)N2CCCC(C)(C)c3ccccc32)cs1 95444873 DWWWZBLCBOMEIM-CQSZACIVSA-N 358.507 4.959 0 40 FJAB CCOC(=O)c1c(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc2c1C 102365867 YWZFVXOUXCSUPH-DWRORGKVSA-N 366.505 4.634 0 40 FJAB CSc1ccc(CN(C)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102376399 RJMCOTDGXANQGQ-JZFKGDSASA-N 363.954 4.945 0 40 FJAB Cc1cccc([C@H]2C=C(c3ccc(F)cc3)Nc3nc(C(F)(F)F)nn32)c1 102955279 ALMSLZPCTDSWEP-MRXNPFEDSA-N 374.341 4.800 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc2c(c1)CCCC2 223095654 ZBIOUWKQRWTDRX-DYESRHJHSA-N 351.490 4.909 0 40 FJAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)c(Cl)c1 224995293 AESMLVKLMZVZGQ-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1ccc2c3c(cccc13)CC2 225199211 HXTCMKZFQIEWID-UHFFFAOYSA-N 357.453 4.835 0 40 FJAB CC[C@@H]1N=C(c2ccccc2F)c2cccn2-c2cc3c(cc21)OCCO3 225375535 RDJVOJLIELJVGL-KRWDZBQOSA-N 362.404 4.690 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1C 225790271 CHEFYCWNUDQMFD-CYBMUJFWSA-N 366.889 4.850 0 40 FJAB CCOC(=O)c1cc(NC(=S)NC2(C)CCCCC2)ccc1Cl 225866474 LWRQLBSSQMOOEI-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB CCOc1ccc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260759221 FHQLGAMIVMCAMV-OCBCSQNSSA-N 373.909 4.723 0 40 FJAB CC(C)CCn1ncc(NC(=O)N[C@@H]2CCCc3occc32)c1C(C)C 331445281 BYUUPDBBTCJDPP-MRXNPFEDSA-N 358.486 4.845 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)nc1)Nc1ccccc1C(F)(F)F 390831535 SJMZQCYYAULLDY-UHFFFAOYSA-N 361.323 4.682 0 40 FJAB CCOc1ccccc1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408807801 OVYDUPVFRDWMHN-UHFFFAOYSA-N 373.885 4.810 0 40 FJAB Cc1ccc(SCC(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 574923504 BZXDPLMDYWCIRN-UHFFFAOYSA-N 350.443 4.913 0 40 FJAB O=C(NCC(c1ccco1)c1ccco1)c1csc(-c2ccccc2)n1 675007740 MMODWPUYLBJMEW-UHFFFAOYSA-N 364.426 4.558 0 40 FJAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 1627459867 GXXKCNZNCZRKLP-RDJZCZTQSA-N 352.821 4.529 0 40 FJAB COc1ccc(-c2csc(NC(=S)Nc3ccccc3C)n2)cc1 1088750 LNHQZNBWWUMLOL-UHFFFAOYSA-N 355.488 4.936 0 40 FJAB COc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1 1428729 GQHGWPONPVBJDF-UHFFFAOYSA-N 365.414 4.544 0 40 FJAB aggregator CCC1=C(c2cccc(OC(C)=O)c2)[C@H](C)c2ccc(OC(C)=O)cc21 1589057 GZZYUSVWJWADMH-CYBMUJFWSA-N 350.414 4.975 0 40 FJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(OC)c1)C3 2118368 RDHYJZPHJDCULU-UHFFFAOYSA-N 365.429 4.501 0 40 FJAB biogenic Cc1ccc(NC(=O)C(F)(F)Oc2cccc(C(F)(F)F)c2)c(C)c1 3117008 VAOMJZXZOUDFRW-UHFFFAOYSA-N 359.294 4.933 0 40 FJAB S=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccc1 3353677 IQVKSTVSUMRRRP-UHFFFAOYSA-N 352.547 4.939 0 40 FJAB CCCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 4093094 WECBGJDKDGFFBA-UHFFFAOYSA-N 351.494 4.532 0 40 FJAB Cc1ccc(C(=O)NCCSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 4315756 UOZHOODXSSGRNF-UHFFFAOYSA-N 371.893 4.561 0 40 FJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3ccccc3)cc12 4340721 SLNDUTCTLZHJPF-UHFFFAOYSA-N 356.377 4.988 0 40 FJAB biogenic CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1OC 4571580 NPBWLZPJEYJCIJ-ADLMAVQZSA-N 372.490 4.709 0 40 FJAB Cc1cccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)c1 4685323 JVRWZXQWGOXMQW-CVEARBPZSA-N 374.275 4.622 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1C 4854370 JXKXVWFVHCBDGX-NRFANRHFSA-N 363.436 4.881 0 40 FJAB COc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccccc1 4942817 VSQREGQJFZOSKK-UHFFFAOYSA-N 357.837 4.810 0 40 FJAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3cccs3)nc12 5264804 HDNRDHSBQQNGLC-UHFFFAOYSA-N 365.483 4.908 0 40 FJAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)oc2ccc(Cl)cc12 5451189 DWXOOLPVZQPZHK-INIZCTEOSA-N 372.852 4.555 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 5466603 JRJZNESTMKHDID-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB COc1ccccc1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 5523819 VCJIJFFCZUGCMM-UHFFFAOYSA-N 366.414 4.872 0 40 FJAB COc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2)cc1 5545643 JBOJDDQXRWTUIV-UHFFFAOYSA-N 358.441 4.715 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccccc2)c(C)s1 5815638 BBRTVQFTQLFLCZ-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6256610 BQCKWPMSUNBJCE-UHFFFAOYSA-N 364.470 4.999 0 40 FJAB Cc1cc(C(=O)COc2cccc3cccnc23)c(C)n1Cc1ccco1 6859796 GULNBMAZTZNTEK-UHFFFAOYSA-N 360.413 4.556 0 40 FJAB COc1ccc([C@H](C)NC(=O)CSc2ccc3ccccc3c2)cc1F 7073977 LWOCPWIXWYJOFP-AWEZNQCLSA-N 369.461 4.957 0 40 FJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccco1 8073182 SYNHCIAGAUFEQP-UHFFFAOYSA-N 360.207 4.574 0 40 FJAB Cc1ccc2nc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 8686417 UUGOZJOHEGMUGL-PBHICJAKSA-N 365.502 4.546 0 40 FJAB aggregator Cc1cccc(NCc2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)c1 8715527 TYCCDBHBNRQKOZ-UHFFFAOYSA-N 361.470 4.881 0 40 FJAB CC(C)Cn1nc(NC(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 9332109 GFFUHJYGLALCLI-UHFFFAOYSA-N 362.408 4.632 0 40 FJAB Fc1ccccc1OCCSc1nnc(NC2CCCCC2)s1 9515146 YPQRCWLTZMJZBE-UHFFFAOYSA-N 353.488 4.593 0 40 FJAB Cc1cc(SCC(=O)N2CCSc3ccccc32)nc2ccccc12 9885082 ZGRBQNNBDDRWLG-UHFFFAOYSA-N 366.511 4.774 0 40 FJAB O=C(NC1CC1)[C@H](SC1=Nc2ccccc2CS1)c1ccc(F)cc1 11268415 PSYCWASEZJHXCG-QGZVFWFLSA-N 372.490 4.813 0 40 FJAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11613723 XYVBPRVACUKRSD-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(F)cc3)n2)N1C1CC1 12542779 JUJPMEGRYUMEOI-SFHVURJKSA-N 365.433 4.678 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 12782095 IXPXDKLURHNKFM-CYBMUJFWSA-N 364.445 4.562 0 40 FJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(C1CCCCC1)C3 13719002 CDSSJNBBUSAVCW-UHFFFAOYSA-N 361.441 4.945 0 40 FJAB biogenic CC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)c1 14121285 SQSMCFHOEXVRTL-UHFFFAOYSA-N 371.436 4.989 0 40 FJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C(C)(C)C)cc1 14184202 XPNWUBCPLQIMCW-UHFFFAOYSA-N 355.478 4.664 0 40 FJAB C/C=C/c1cc(C(=O)N[C@H](CC)c2ccc(OC)cc2)cc(OC)c1OC 14701281 PYGOTCPDFZBCBJ-ZLQZBKBYSA-N 369.461 4.627 0 40 FJAB CCc1ccc2cc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)[nH]c2c1 15525430 PKGWICIVXVKRGW-UHFFFAOYSA-N 355.825 4.594 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ccccc3Cl)ccc21 16746264 RAFFGWKXSCFLPX-LBPRGKRZSA-N 359.878 4.613 0 40 FJAB COc1ccccc1CN[C@@H](Cc1ccsc1)c1nc(C)c(C)s1 19559929 KAYQTZSNUTZANS-KRWDZBQOSA-N 358.532 4.904 0 40 FJAB CCOc1ccc2nc(N3C(=O)CS[C@@H]3c3cccs3)sc2c1 19927530 DMLJYMDAUYOKLL-OAHLLOKOSA-N 362.501 4.535 0 40 FJAB CCCC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 20096487 QXQWYDDOUQXZSP-UHFFFAOYSA-N 350.462 4.876 0 40 FJAB Cc1ccc(CC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 22509402 HQFDXAZHNRRMOK-UHFFFAOYSA-N 368.329 4.894 0 40 FJAB COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2Cl)c(OC)c1OC 22776751 YYKZRXCFMMDTDK-NSHDSACASA-N 370.276 4.870 0 40 FJAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)c1cc2ccccc2o1 22989798 UUYMTYGMITZXGA-NSHDSACASA-N 352.415 4.949 0 40 FJAB Cc1nc(COc2cccc(C(=O)N(C)Cc3ccccc3C)c2)cs1 23599324 JNCRZDBZUGIUHG-UHFFFAOYSA-N 366.486 4.611 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)o1 25250239 BCPXFSGIMSWUOR-OUKQBFOZSA-N 361.401 4.884 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N(C)C)cc1 28294871 JGCAIASWQIIKJJ-GOSISDBHSA-N 370.880 4.736 0 40 FJAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2Cc3ccccc3S2)cc1 32882040 HUGOYPBZINACAY-TZIWHRDSSA-N 367.514 4.856 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1c1cccs1 32900255 AHFRSLQOYDPDIA-KRWDZBQOSA-N 352.459 4.618 0 40 FJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccs3)nc21 36617244 HJABQTIIKDRMHI-UHFFFAOYSA-N 367.446 4.920 0 40 FJAB O=C(CCC(=O)c1ccc(F)cc1)OCc1nc(-c2ccccc2)cs1 40157162 DAEXVVAPJXDSMH-UHFFFAOYSA-N 369.417 4.656 0 40 FJAB O=C(NCc1cccc(Br)c1)c1ccc(Cl)cc1Cl 42353429 IPCNUGBKNWKXOY-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB O=C(CNCc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 52537494 PJWLZPYNBNKXNV-UHFFFAOYSA-N 359.256 4.875 0 40 FJAB Cc1cccc(C)c1OCCNC(=O)Nc1ccc(Cl)c(Cl)c1 59461525 BHHJWYGPNFTVJU-UHFFFAOYSA-N 353.249 4.811 0 40 FJAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]ccc4c3)s2)cc1 61718491 VLSTYLXCKNRCCO-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB CSc1cccc(NC(=S)Nc2cccc(CN3CCCC3)c2)c1 71761295 KZZWCSHDUCZYFI-UHFFFAOYSA-N 357.548 4.813 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(F)cc2Br)cc1F 71761696 CMJPSRBJDVHRJX-UHFFFAOYSA-N 357.223 4.845 0 40 FJAB COCc1cccc(C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 79060176 KACOPQQCKCWXQD-UHFFFAOYSA-N 356.422 4.656 0 40 FJAB COc1ccc2cc(C(=O)NCc3ccccc3-c3ccsc3)[nH]c2c1 96122944 SUAMFCSZPFAPSY-UHFFFAOYSA-N 362.454 4.835 0 40 FJAB CC(C)(C)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 107273554 KUIZEEWYIHJDJG-UHFFFAOYSA-N 372.317 4.769 0 40 FJAB c1ccc(-c2cnc(Nc3cc(CC[C@H]4CCCN4)ccn3)s2)cc1 143109232 IZAIMPHQNRCJPJ-QGZVFWFLSA-N 350.491 4.633 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C 177284231 LUWZPMGGBRXRJE-DYESRHJHSA-N 374.488 4.899 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 219531148 DPXPGVHYBBUIQQ-RXVVDRJESA-N 369.505 4.983 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C(C)C 223350629 JQAKYEPSEWTMDQ-IAGOWNOFSA-N 355.478 4.772 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224294973 LLUAAOPHOKQAGD-KRWDZBQOSA-N 355.478 4.809 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224417144 IPOUKPKMZBKOMY-CYBMUJFWSA-N 351.833 4.998 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl 224988584 FRKOZMOMJWQDRP-UHFFFAOYSA-N 366.288 4.900 0 40 FJAB CCCOc1ccccc1CCCNC(=O)CCc1ccc(Cl)cc1 225308966 VLZUAUCZKXXRJH-UHFFFAOYSA-N 359.897 4.810 0 40 FJAB Fc1ccc(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225546712 NUDRWUCKLYHNHP-UHFFFAOYSA-N 356.388 4.764 0 40 FJAB Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1F 225605442 KNUUVAQYJPJTPM-OAQYLSRUSA-N 369.461 4.510 0 40 FJAB Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 226365378 TYJFEFSJHMBDDH-UHFFFAOYSA-N 357.207 4.544 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)nc2)cc1 408586211 MMRHXZRLMQBREK-UHFFFAOYSA-N 351.431 4.691 0 40 FJAB C[C@@H](Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C1CC(F)(F)C1 529541888 MMGJYTLDXBYUOP-CYBMUJFWSA-N 362.395 4.853 0 40 FJAB CSc1nc2nccc(-c3cc4c(cc3C)[C@H](C)CC(C)(C)N4)n2n1 575473144 INYVGCWIXFINMR-GFCCVEGCSA-N 353.495 4.519 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1 661984 AHMKQDWONLHKCY-NSHDSACASA-N 354.450 4.764 0 40 FJAB Cc1ccc(Nc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)cc1 797402 WKKFOEGOTXBDOX-UHFFFAOYSA-N 355.445 4.998 0 40 FJAB Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3)sc2Cl)cc1 935452 YLEQKMDWMDTCQI-UHFFFAOYSA-N 364.879 4.681 0 40 FJAB CCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccccc2C)s1 1345300 CEBWITCIGMWGCI-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB CCN(CC)CCSCCNc1c(C)cnc2ccc(Cl)cc12 1683261 VQQBIOFKVOLIBQ-UHFFFAOYSA-N 351.947 4.684 0 40 FJAB Clc1ccccc1CSc1ncnc2c1cnn2Cc1ccccc1 2336702 QXDBMSFRQIWVCS-UHFFFAOYSA-N 366.877 4.820 0 40 FJAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C 3341572 KWWTUELROYQXKO-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 4059439 YWRUUQXPAFNLJR-NRFANRHFSA-N 361.514 4.907 0 40 FJAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 4176539 NILPBGJILRQCPL-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB Cc1nc(SCC(=O)c2cc(C)n(C3CC3)c2C)c2ccccc2n1 4241577 XZWRHYKABGLJHT-UHFFFAOYSA-N 351.475 4.666 0 40 FJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(F)cc1 4355548 ZKLJEWJKWJGLDB-UHFFFAOYSA-N 373.840 4.667 0 40 FJAB CC1=C(C)[C@@H](Nc2cccc(C(F)(F)F)c2)N(Cc2ccccc2)C1=O 4608359 RCQZQIKOLZOCQV-SFHVURJKSA-N 360.379 4.822 0 40 FJAB Cc1cc(NC(=O)COc2cccc3ccccc23)ccc1Br 4666497 BRRVFFFWLJZRBV-UHFFFAOYSA-N 370.246 4.928 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 4710963 LFQUWCPPTGGCSW-UHFFFAOYSA-N 373.412 4.929 0 40 FJAB Clc1ccc(Cc2nnc3sc(/C=C/c4cccs4)nn23)cc1 5032376 PCXPSWQGVIWYJU-BQYQJAHWSA-N 358.879 4.662 0 40 FJAB COCCn1cc(NC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 5266544 BTYZGCDQMKOTJI-UHFFFAOYSA-N 357.841 4.894 0 40 FJAB O=C(NCc1cccnc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 5616669 LDHRNGORKWKDSM-UHFFFAOYSA-N 356.347 4.697 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)cc(Cl)c1 5688960 LOJLUUXKAUUQOD-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2)n1 6425501 PENQNPCAWHYFCI-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccc(OC)c1 6489804 CRFFVEROTIZWCB-IAGOWNOFSA-N 354.494 4.668 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8051113 DLDKYDYXTKWFCL-KRWDZBQOSA-N 369.461 4.666 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccc(F)cc1 8080520 JGJGTTATOOVOEN-QOCHGBHMSA-N 374.868 4.850 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 8161693 SRZKWNPMSZZRBR-MJGOQNOKSA-N 368.477 4.523 0 40 FJAB Cc1nc2ccccc2nc1COc1ccccc1C(=O)Oc1ccccc1 8300238 PRUXPPGZKFMUGM-UHFFFAOYSA-N 370.408 4.736 0 40 FJAB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c(C)c1 8336179 LSPGYUXNIRXELZ-LICLKQGHSA-N 372.877 4.857 0 40 FJAB O=C(CSc1ccc2ccccc2n1)N1CCC[C@H]1c1cccs1 8707737 QVFDBMWINZLKCT-INIZCTEOSA-N 354.500 4.752 0 40 FJAB CCCCN(CCCC)Cc1c(C)nc2ccc(C(=O)OCC)cc2c1O 8714123 ZIUSMVRQDYJVEX-UHFFFAOYSA-N 372.509 4.828 0 40 FJAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(Nc3ccc(F)cc3)ncc21 10156658 ZJCIQSVVEJJHFG-ZDUSSCGKSA-N 367.811 4.925 0 40 FJAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 10225064 KWRMJVNWVNHMHU-HNNXBMFYSA-N 365.452 4.514 0 40 FJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccnc1Oc1ccccc1 12769535 LEDKGQOMCRLLHM-UHFFFAOYSA-N 362.414 4.578 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12804231 PTDKHILMKLPMCM-UHFFFAOYSA-N 351.837 4.575 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2cccc3ncccc23)cc1OC 12885835 SIHMAORRBDKLBM-UHFFFAOYSA-N 356.809 4.548 0 40 FJAB CC1(C)[C@H]2c3c(cc(O)c(C(=O)c4ccccc4)c3O)O[C@]3(C)CC[C@@H]1[C@@H]23 13403677 BQIVXBUAUNSLAJ-PXKCUTHRSA-N 364.441 4.630 0 40 FJAB biogenic,in-vitro O=C(c1cccc2ncccc12)N1CCC(c2nc3ccccc3s2)CC1 14260898 RYTUEXYVDWJSRD-UHFFFAOYSA-N 373.481 4.864 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)C=C(C)C)ccc21 15187028 SWJIOVDALHRWKK-HNNXBMFYSA-N 364.445 4.651 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1-c1ccc(CO)o1 20139370 BACVFWHZMOARPC-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB O=C(C[C@H]1C=CCC1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 26404120 VKRJQWUTERTFIF-FQEVSTJZSA-N 374.528 4.922 0 40 FJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(Cl)ccc2o1 28250493 ZYLOLFMHNDCBOZ-UHFFFAOYSA-N 373.836 4.766 0 40 FJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC 30756748 GXTQCQCQTTUEFT-JOCHJYFZSA-N 361.441 4.532 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 30938765 DIZIEWSAIDLIQL-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 32610129 CURFHYLBYFSQGB-NEPJUHHUSA-N 368.260 4.647 0 40 FJAB C=CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 32937584 UTOBTYHFJCTTSQ-QGZVFWFLSA-N 370.452 4.969 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 32963886 DDQQYSWTNYNHHJ-UTKZUKDTSA-N 366.505 4.902 0 40 FJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(F)cc3)o2)cc1C 33663112 TVWQGFJGWWCTKF-UHFFFAOYSA-N 368.433 4.829 0 40 FJAB Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 33731327 YGJLCUZSZVZRET-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38833867 UWJVHQICGBVXMO-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB CC(C)c1nc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cs1 46093965 UYILPKPRPOSDMG-UHFFFAOYSA-N 364.319 4.688 0 40 FJAB CSc1nc2ccc(NC(=O)N3CCc4sccc4C3)cc2s1 48301483 YGCCQVWMCXKEDH-UHFFFAOYSA-N 361.517 4.670 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 59323085 KQJFFZCWCCUJNQ-UHFFFAOYSA-N 366.313 4.812 0 40 FJAB Cc1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1C1CC1 60457828 UOAKRVVMACHYHP-LJQANCHMSA-N 374.431 4.849 0 40 FJAB O=C(NCc1cccc2cccnc12)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 68746095 OGWVBVLVVCEEBN-MSOLQXFVSA-N 370.374 4.674 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCC1 100424304 XOFSOZZLVGGLOF-OALUTQOASA-N 361.917 4.790 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219312882 GYQLPVVVADLGMQ-MSOLQXFVSA-N 353.462 4.571 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccccc1Cl 222992894 ZALCALFYQPTVLD-HXUWFJFHSA-N 359.897 4.863 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2cc(C)cc(C)c2)c2ccccc2O1 223784968 NUWNBOCULXVZLX-FQEVSTJZSA-N 367.489 4.881 0 40 FJAB CCOc1cccc([C@@H]2CC(c3ccc(CC)cc3)=NN2C(=O)CC)c1 226818068 JVPBAPFYVIVGSG-NRFANRHFSA-N 350.462 4.735 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3cccnc3)C2)cc1 257228265 FTFNBAXKYXXXJF-FQEVSTJZSA-N 372.468 4.511 0 40 FJAB CCc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 408620846 MNEKSCFYRHRCCE-UHFFFAOYSA-N 368.436 4.990 0 40 FJAB Cc1nc(-c2cc3c(s2)CCN(Cc2nc(C)sc2C)C3)cs1 536782650 FCWPOUGSTQYODO-UHFFFAOYSA-N 361.561 4.812 0 40 FJAB Cc1nc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)co1 669960215 LKMZGDQTYXSLQJ-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB COC(=O)c1csc(NC(=O)C(C)(C)C)c1SCc1ccccc1 644741 WLCDWHOAVKKKDI-UHFFFAOYSA-N 363.504 4.812 0 40 FJAB CCOc1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 674887 UWRUSQBJXVEVDX-UHFFFAOYSA-N 368.260 4.972 0 40 FJAB CC(C)(C)c1cc(OC(=O)c2ccco2)ccc1OC(=O)c1ccco1 682527 NBRKAFPCRAIQSM-UHFFFAOYSA-N 354.358 4.609 0 40 FJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1 1464108 GXOAFLFQZVNYIS-UHFFFAOYSA-N 371.392 4.925 0 40 FJAB COc1ccc(-c2c(-c3cc(O)cc(O)c3)c3cc(C)ccc3oc2=O)cc1 2573905 LRUMHVPVYNSVTH-UHFFFAOYSA-N 374.392 4.855 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3458450 PTBUTMWBLBQSCE-UHFFFAOYSA-N 351.324 4.525 0 40 FJAB Clc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1Cl 4598305 JRDKOHGSVBJBDX-UHFFFAOYSA-N 361.257 4.610 0 40 FJAB CCCCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681981 ZRXXADOPLYZUPM-SFHVURJKSA-N 352.478 4.684 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 4704390 QXXDPSPWJQKTMK-UHFFFAOYSA-N 365.458 4.801 0 40 FJAB Cc1c(Cl)cccc1-c1ccc(CNCCCSc2ncccn2)o1 4984205 VLQDZLZBWUVBJA-UHFFFAOYSA-N 373.909 4.970 0 40 FJAB O=C1c2ccccc2CC[C@]12N=NC[C@@H]2c1ccc(Br)cc1 5053063 MDZBIMPYXZWHLK-SJLPKXTDSA-N 355.235 4.566 0 40 FJAB COc1cc(C)c(NC(=O)Cc2c(Cl)cccc2Cl)cc1OC 5616883 XQYMQWFSVXFLMQ-UHFFFAOYSA-N 354.233 4.500 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 5861818 GZSZAUKNPQJEQH-JTQLQIEISA-N 354.631 4.509 0 40 FJAB CCOc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1 5953695 GQGHHRWRFYOTSN-UHFFFAOYSA-N 356.422 4.909 0 40 FJAB C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)cc4)c(=O)c23)C1 5988251 BQMRXAOJEZHEDS-VIFPVBQESA-N 362.907 4.888 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc2ncc(Cl)cc2[nH]1 6025384 WGMUYGJUJPWRSM-UHFFFAOYSA-N 374.897 4.774 0 40 FJAB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C(=O)c1ccccc1 6044208 KFAFWMOGWJGACX-UHFFFAOYSA-N 368.436 4.819 0 40 FJAB COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OC 6145547 DVTTUYQXIKDGJX-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB COc1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)c(OC)c1 7939522 UPIBALHLPTVYMF-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)O)cc1 8720899 XGGYNOALMDYQAQ-YCRPNKLZSA-N 372.424 4.713 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063576 ZCPJNOHDXUSPAI-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 9064366 BTOLNMHOXORPHE-UHFFFAOYSA-N 360.457 4.813 0 40 FJAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccccc2)n1 9306399 JJBSUPYJHYMCJI-UHFFFAOYSA-N 369.877 4.983 0 40 FJAB Cc1ccccc1CSc1nnc(NC(=O)NC2CCCCC2)s1 9324086 VBYHKXGYWPDSOU-UHFFFAOYSA-N 362.524 4.593 0 40 FJAB COc1ccc(-c2cc(NC(=O)c3ccco3)ccc2OC(F)F)cc1 9950444 HKGXJIIJHVXQSW-UHFFFAOYSA-N 359.328 4.809 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 10275167 FLAOGHJSKFCALM-YJYMSZOUSA-N 358.869 4.860 0 40 FJAB Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)c1 11689788 FNMFLFMEAJXVAQ-UHFFFAOYSA-N 370.449 4.507 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)no2)cc1 11915158 VISAREBVPFBSJN-UHFFFAOYSA-N 372.808 4.655 0 40 FJAB Cc1nc(NC(=O)COc2ccccc2C(C)C)sc1-c1ccccn1 12511596 GTSBYERGLBSZCL-UHFFFAOYSA-N 367.474 4.654 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1cccc(Br)c1 12620246 RCGMOIBACOCKAO-LHNRBYRGSA-N 358.279 4.600 0 40 FJAB Cc1ccc(OCc2ccc(C(=O)NCCc3c[nH]c4ccccc34)o2)cc1 12860290 IGKAKIXUPNQFSI-UHFFFAOYSA-N 374.440 4.621 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)cc1C 14248483 FPZYVIKKPVLBKV-IBGZPJMESA-N 354.837 4.551 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14399362 FGPZQAHDMLUXMK-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB CCOc1ccc(Br)c(C[C@@H]2C(=O)N(CC)c3ccccc32)c1 15018044 FOQBODJYZLBSMW-INIZCTEOSA-N 374.278 4.541 0 40 FJAB CCc1ccc(CN2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19522881 IPFPYMLCZPQCPM-IBGZPJMESA-N 350.466 4.663 0 40 FJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1 20610570 XRQNMLFJVSEACB-UHFFFAOYSA-N 362.458 4.858 0 40 FJAB O=c1c2scc(-c3ccc(Cl)cc3)c2ncn1Cc1ccccc1F 23126807 JMXWLOSKCNXBCF-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB Cc1ccc(-c2noc3cc(OCC(=O)OCc4ccccc4)ccc23)cc1 32634061 ZJASWLMSTRQKIT-UHFFFAOYSA-N 373.408 4.925 0 40 FJAB biogenic O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2S1 32879926 DSSRSXRPJTZRRN-RBBKRZOGSA-N 359.494 4.804 0 40 FJAB C[C@@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1ccc2c(c1)OCO2 32889198 USSGOXXRIJVTME-LIBCKTBKSA-N 355.478 4.589 0 40 FJAB Cc1ccc(CCC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924777 GMPPCSBULJKFRY-UHFFFAOYSA-N 364.420 4.570 0 40 FJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1Cl 32937435 YTXLVGRUOOEWFL-IBGZPJMESA-N 372.896 4.844 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H](NCCc1ccccc1)c1ccccc1 36392197 SCZBBBNRXJPTBF-QHCPKHFHSA-N 374.484 4.516 0 40 FJAB CCCCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccccc1 39843895 GPCARRFBKWKHOP-UHFFFAOYSA-N 370.474 4.695 0 40 FJAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CCC[C@H]1c1ccncc1 48196311 PZOGAMXIKSQZOC-INIZCTEOSA-N 360.244 4.847 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)o2)cs1 58368966 YVEPGXDHEBXBKQ-HUUCEWRRSA-N 372.877 4.785 0 40 FJAB C[C@@H](c1ccccc1Cl)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1 58754068 GFURMUOTECOVAC-HNNXBMFYSA-N 361.917 4.504 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351969 LLJSXXDFDXBUDN-ZHRRBRCNSA-N 363.457 4.883 0 40 FJAB C[C@@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1 89904629 FWGDKNXPLGEOIE-VGSWGCGISA-N 360.457 4.504 0 40 FJAB COc1cccc([C@H](CNC(=O)c2ccc(-c3ccsc3)cc2)OC)c1 96390143 DALQAHPVLVMSHQ-FQEVSTJZSA-N 367.470 4.541 0 40 FJAB COc1ccc2[nH]c3c(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c2c1 100746524 QPGPAELKASZCLS-ASSNKEHSSA-N 350.466 4.525 0 40 FJAB biogenic CCOC(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 144465155 SGBRLPNSLPZIGW-UHFFFAOYSA-N 353.218 4.556 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Br)cc1F 216302451 XTUVOMDMQXQGBE-HNNXBMFYSA-N 366.230 4.693 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC2CCCC2)cc1 219561553 XJAYHTHIZVOJQC-IBGZPJMESA-N 369.461 4.813 0 40 FJAB CC1(C)C[C@H](NC(=O)COc2ccc3ccccc3c2)c2ccccc2O1 222835881 QFHMSORHTIITIT-FQEVSTJZSA-N 361.441 4.637 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1 222894377 VPCXVJBPNBLTEP-HXUWFJFHSA-N 369.461 4.530 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1 222947735 BMRHRQZAOVOACM-IBGZPJMESA-N 357.519 4.510 0 40 FJAB CCCOCc1cc(C(=O)NCc2ccccc2Cl)ccc1OCC 224703202 VMOOTGQOOKJUIU-UHFFFAOYSA-N 361.869 4.595 0 40 FJAB CC(C)Oc1ccc(CCCNC(=S)Nc2c(F)cccc2F)cc1 225569066 LWHABOZUYRASDO-UHFFFAOYSA-N 364.461 4.671 0 40 FJAB CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 225833669 BHNOSRJJHYLFTJ-UHFFFAOYSA-N 371.864 4.967 0 40 FJAB O=C(Nc1c(F)cccc1F)N[C@@H](c1ccsc1)c1cccs1 390826478 MFDBWTURWOWIKK-AWEZNQCLSA-N 350.415 4.999 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1Cc3ccccc3[C@@H]21 408995116 JDPLLLGJVIUSTD-HLAWJBBLSA-N 359.400 4.995 0 40 FJAB Cc1ccccc1C[C@@H](C)NC(=O)CN[C@H](CC(C)C)c1ccccc1C 1616786127 DUMIONSQIMGCQK-NFBKMPQASA-N 366.549 4.728 0 40 FJAB Brc1cc(Br)c2ccncc2c1Br 674767 DNTWNLASLUOWST-UHFFFAOYSA-N 365.850 4.522 0 40 FJAB CCOc1ccc2cc3c(N)c(C(=O)c4ccc(F)cc4)sc3nc2c1 891645 MDPNBSJCVRJXNS-UHFFFAOYSA-N 366.417 4.801 0 40 FJAB CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 985737 VJEPXXSDYFSBQU-UHFFFAOYSA-N 364.536 4.536 0 40 FJAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 1392112 LNCICTHZBDIXQI-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB CCOc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C(F)(F)F)oc2c1 2412844 YYQUOJHWTPOWIT-UHFFFAOYSA-N 364.319 4.886 0 40 FJAB biogenic CCCCCC(=O)Nc1sc2c(c1C(=O)OCCC)CC[C@@H](C)C2 2742754 ZOLMALUTGXDQHJ-CYBMUJFWSA-N 351.512 4.959 0 40 FJAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(F)cc1F 2949776 IKUAHQSBKDKMBV-OAHLLOKOSA-N 370.218 4.506 0 40 FJAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cn(C)c4ccccc24)N3)C1 4125401 YQFYSKHJHLGLSP-BBATYDOGSA-N 351.475 4.794 0 40 FJAB CCSc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 5241501 BAKGWXWSJJUMDK-UHFFFAOYSA-N 371.487 4.619 0 40 FJAB Cc1ccc(C)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1 5584323 LHSNJVFWZPXLCQ-UHFFFAOYSA-N 359.516 4.800 0 40 FJAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 6040070 HGORAQOIIWZKDV-LBPRGKRZSA-N 350.528 4.517 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 6649349 FCQLRSWLFWWULF-UHFFFAOYSA-N 370.518 4.646 0 40 FJAB CCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1 6659410 PJVBFXNOXOIJOE-GOSISDBHSA-N 367.474 4.730 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(-n2cccn2)cc1 8190205 GKEMPSXNOHDWHQ-UHFFFAOYSA-N 360.461 4.505 0 40 FJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 8903598 PLVKHEXIUJPELM-UHFFFAOYSA-N 374.849 4.767 0 40 FJAB CCCCC(=O)Nc1ccc(Nc2nc(C)cc(N(CC)CC)n2)cc1 9573377 USBPIMWPFQRGJE-UHFFFAOYSA-N 355.486 4.504 0 40 FJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10433855 KKQBWGKBBMWBSW-UHFFFAOYSA-N 366.505 4.767 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(F)(F)F 11636981 WEMLTFGFQAGYEI-INIZCTEOSA-N 353.340 4.510 0 40 FJAB Cc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c(C)c1 12396684 YJUNSQKQZXCMER-UHFFFAOYSA-N 356.516 4.769 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 12736049 RDMKJHQIBOHXNR-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB Cc1ccc(-c2nn(CN3CCc4sccc4[C@H]3C)c(=S)n2C)cc1 12852069 HATFTJIDFFMJAF-CQSZACIVSA-N 370.547 4.565 0 40 FJAB Fc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3nccnc3n2)cc1 13010725 JNERDASCKSDOAZ-UHFFFAOYSA-N 366.787 4.700 0 40 FJAB Cc1csc(SCc2c(C(=O)N3CCCC3)oc3ccccc23)n1 14084307 WXQSOCPJMJMDNL-UHFFFAOYSA-N 358.488 4.726 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)C1=Cc2cc(Cl)ccc2OC1 16182575 BZSBUBWSOLJBDT-UHFFFAOYSA-N 368.845 4.878 0 40 FJAB COc1ccc(N2C(=O)CS[C@@H]2c2ccc3cc(OC)ccc3c2)cc1 17198389 KZAUGFBKJPPQTD-OAQYLSRUSA-N 365.454 4.636 0 40 FJAB Cc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1ncccc1C)OCO2 19237638 HXFCKPMELWZXIW-SFHVURJKSA-N 366.486 4.562 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccnc3)on2)cc1 19558086 DZDZBOVYVICGQV-OAQYLSRUSA-N 363.461 4.863 0 40 FJAB O=C(Nc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503125 GULUHASATRUETQ-UHFFFAOYSA-N 371.440 4.924 0 40 FJAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 22510192 YGSHVDKSYXDZOI-OAQYLSRUSA-N 363.457 4.712 0 40 FJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N(C1=CCCCC1)C1CC1 23139481 VADZLLQAEGFJKG-UHFFFAOYSA-N 363.383 4.504 0 40 FJAB O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(-c2ccccc2)cc1 27915364 YNHRFIVHNIWDTJ-UHFFFAOYSA-N 353.425 4.851 0 40 FJAB Cc1ccccc1Cn1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 28230274 YMVITPMEZDKIRH-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4Cl)no3)ccc2O1 28286921 AMHZCBOXZOEOFF-NSHDSACASA-N 354.793 4.571 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3ccccc3c2)c1 33040088 DFSUTMWSMXJEAI-HZPDHXFCSA-N 360.457 4.720 0 40 FJAB COc1ccc(C2(CNC(=O)Cc3ccccc3Cl)CCCC2)cc1 38593561 FXBPIELFDFLDGN-UHFFFAOYSA-N 357.881 4.519 0 40 FJAB CCOc1ccc(NC(=O)N(C)Cc2ccccc2Br)cc1 40095582 NIPQLZZRKKYUEN-UHFFFAOYSA-N 363.255 4.512 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)c1csc(-c2ccccc2)n1 44442657 VGHWXOOHBYWOID-UHFFFAOYSA-N 364.455 4.581 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 44849223 BHZDGTSPRITJOE-IRXDYDNUSA-N 355.478 4.853 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1F 71325914 YNYSHBBSCJTQOI-UHFFFAOYSA-N 360.332 4.542 0 40 FJAB Cc1nc(-c2nc[nH]n2)sc1C(=O)Oc1ccc(C2CCCCC2)cc1 78767884 FFRLDUCDMICEHP-UHFFFAOYSA-N 368.462 4.504 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(Br)cc1 89212744 SNXJVUQISKUVFY-HNNXBMFYSA-N 369.303 4.651 0 40 FJAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@H](c2ccco2)CC1 207006989 UEAOTNGBPLUSJP-HNNXBMFYSA-N 355.381 4.619 0 40 FJAB CCCc1ccc(OCCNC(=O)c2ccccc2SC(C)C)cc1 224640882 IWQZMFCCAGMDHW-UHFFFAOYSA-N 357.519 4.948 0 40 FJAB Cc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225182663 SVFANKMHPYLVTQ-UHFFFAOYSA-N 353.506 4.729 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225255428 OLCKKSNWUVOWOA-IAGOWNOFSA-N 351.490 4.773 0 40 FJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCc2cc(-c3ccncc3)ccc21 225638460 GYHJITYROPJJQW-UHFFFAOYSA-N 368.358 4.970 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(F)cc1 226097414 UZOSLOXHQQBJJP-UHFFFAOYSA-N 350.231 4.965 0 40 FJAB CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2cc(C)ccc21 408713024 GZNGIPGGASHLNA-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB CCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 408713334 TYXUTODZXCVFQG-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB Nc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 585655887 BRSLILOMAXCALH-UHFFFAOYSA-N 370.711 4.551 0 40 FJAB Cc1ccsc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615152619 BLFHQAHUDIANDN-QAPCUYQASA-N 372.509 4.715 0 40 FJAB CCCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 709085 AREKGEGQEDXMAR-UHFFFAOYSA-N 351.855 4.984 0 40 FJAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)CC)c2ccccc2)C[C@@H]1C 824678 YDOOEADADLUVBV-JXFKEZNVSA-N 350.462 4.706 0 40 FJAB COc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1 1296625 OTRSHXRFMSEQAZ-UHFFFAOYSA-N 356.429 4.994 0 40 FJAB Cc1ccc(O)c([C@H](CC(=O)NCCc2ccccc2)c2ccccc2)c1 2210848 INTBRXDAJUGNAN-OAQYLSRUSA-N 359.469 4.582 0 40 FJAB CCCCC(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 2227593 UMCNJIUBQBUBJQ-QZTJIDSGSA-N 366.505 4.548 0 40 FJAB O=C(OCC(=O)c1ccccc1F)/C(=C/c1cccs1)c1cccs1 3266866 PVTMRPDZXGBZBU-RVDMUPIBSA-N 372.442 4.915 0 40 FJAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 3309454 MWLVHEZKGZGZQK-UHFFFAOYSA-N 359.834 4.933 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1Br 3562231 XUHQKXNBZMJNHV-LLVKDONJSA-N 368.658 4.817 0 40 FJAB CC(C)c1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3[nH]cnn23)cc1 3909967 VHXQZRDQVLTXTC-UHFFFAOYSA-N 360.465 4.657 0 40 FJAB CCn1c([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4225269 UJJWYRNEEGZCQG-AWEZNQCLSA-N 353.853 4.539 0 40 FJAB O=C(NCc1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4700733 XGXVLBKZOXBWDT-UHFFFAOYSA-N 353.287 4.716 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816533 LAFREESDQIVCAA-RTWAWAEBSA-N 374.488 4.618 0 40 FJAB COc1ccc(C)cc1N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5701630 GYLDJDAAXVACTR-NRFANRHFSA-N 364.420 4.935 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(OCC)c2)C1=O 6323946 JRWZFFCUYIWGAZ-LVLBFHFTSA-N 363.479 4.709 0 40 FJAB C[C@@H](CCCc1ccccc1)NC(=O)Nc1nc2c(s1)C[C@H](C)CC2 6551173 LXFZPGNFVYHECA-CABCVRRESA-N 357.523 4.801 0 40 FJAB CNC(=O)c1ccc(Nc2nc(C)nc3scc(-c4ccccc4)c23)cc1 7271334 LRMIOEQMQYVOAL-UHFFFAOYSA-N 374.469 4.770 0 40 FJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cc(Cl)ccn1 7989261 ACVDSIPKLXVKNX-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC=C(c2ccccc2)CC1 8074603 LQBYNTCGDXLENE-UHFFFAOYSA-N 369.468 4.679 0 40 FJAB CC(C)(C)c1ccc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 8603565 CMPAMIBFJNUWTC-UHFFFAOYSA-N 368.502 4.511 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 9141851 FALWQHBBLAYEMF-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB CCc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 9315771 OZAQJCGYUQCYLC-UHFFFAOYSA-N 366.490 4.507 0 40 FJAB COc1ccc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9996084 BAZPXQYSUWGAPL-SFHVURJKSA-N 366.486 4.601 0 40 FJAB CCN(C(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccccc1 13621593 SJAQDMZGCITRTQ-UHFFFAOYSA-N 350.462 4.872 0 40 FJAB Cc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 13945431 ALLZIZZUNWKXDF-LJQANCHMSA-N 365.502 4.764 0 40 FJAB C/C1=C\[C@H](O)[C@H](C(C)C)[C@@H](OCC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 17652229 HDAGALPNSCGMSL-VYJUKFFJSA-N 372.505 4.670 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSc1ccc(C)cc1 20458678 LEQJGEPKLMAJPK-IBGZPJMESA-N 357.519 4.678 0 40 FJAB CC[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 22510915 SBVLFPWAKSCWPU-NRFANRHFSA-N 367.470 4.909 0 40 FJAB COc1ccccc1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 24348585 DFJZISXCTILEAS-UHFFFAOYSA-N 371.440 4.605 0 40 FJAB Cc1ccc2c(CC(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)coc2c1C 29885219 FCATXAVBVDYQRH-AUUYWEPGSA-N 351.446 4.967 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(F)c(NC(C)=O)c1 30010637 DBNLLKSTZYVQJE-KGLIPLIRSA-N 371.456 4.737 0 40 FJAB O=C(CSc1ccc2ccccc2c1)Nc1cccc(-n2cccn2)c1 32925850 KNYVBLDVWIAYRT-UHFFFAOYSA-N 359.454 4.756 0 40 FJAB Cc1ccc(-c2nn3c(NCCc4ccccc4)cc(C)nc3c2C)cc1 40216899 BOOPXMWRRVALOJ-UHFFFAOYSA-N 356.473 4.976 0 40 FJAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 44934892 HPSJVQSTSJFBFV-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB Cc1ccc(CN(CCc2ccccc2)Cc2ncc(Cl)n2C)s1 57624231 XUGAWXYDDLLOIP-UHFFFAOYSA-N 359.926 4.688 0 40 FJAB CCc1ccc([C@@H](NCC(=O)Nc2ccccc2)c2cccs2)cc1 57802903 PDNQTYBOKVXAFG-OAQYLSRUSA-N 350.487 4.628 0 40 FJAB CSc1nc(O)c2scc(-c3cccc(Br)c3)c2n1 67172491 LHIJJDVOMRQIPF-UHFFFAOYSA-N 353.266 4.548 0 40 FJAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216678 ATJBOORQKLKZFB-OAQYLSRUSA-N 363.505 4.829 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72348631 JODLQQWAAQNBPW-FQEVSTJZSA-N 374.459 4.831 0 40 FJAB CCN(c1ccc(NC(=O)C[C@](O)(c2ccccc2)C2CC2)cc1)C(C)C 89969460 KOKQSGMNVSBWIY-QHCPKHFHSA-N 366.505 4.548 0 40 FJAB C[C@H](N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 95422095 PTHJUCNHWFUTHB-JZXOWHBKSA-N 357.567 4.927 0 40 FJAB O=C(N[C@@H](CSC(F)(F)F)Cc1ccccc1)OCc1ccccc1 95918480 ZSJLEXCFEFFSOY-MRXNPFEDSA-N 369.408 4.777 0 40 FJAB O=C(Nc1nc(-c2c(F)cccc2F)co1)[C@@H]1SCCc2ccccc21 95965069 XTSMYMIYUGAQGI-QGZVFWFLSA-N 372.396 4.589 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)cc(C)c1C 218969405 FFBGLTAOZBSMJF-LJQANCHMSA-N 367.489 4.718 0 40 FJAB COC(=O)c1cn(C(=O)CSCc2cc(C)cc(C)c2)c2ccccc12 222570328 PWBJIRHBDRSZTC-UHFFFAOYSA-N 367.470 4.618 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cc(CC)ccc2CC)cc1 223404234 RMRQJQRCRRUVCC-QFIPXVFZSA-N 353.506 4.848 0 40 FJAB CCCCOCc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC 224443594 UAPCKYOYQSGGLI-GOSISDBHSA-N 369.505 4.763 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2cccc(OC)c2)c1 224592652 VFTMFPVDJPPOPP-INIZCTEOSA-N 371.477 4.591 0 40 FJAB CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2O1 224990945 ROYSTNRUNVNFBJ-QGZVFWFLSA-N 373.880 4.916 0 40 FJAB COc1ccc(Cl)cc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225121652 AALJURCWNFJFBZ-HNNXBMFYSA-N 357.258 4.790 0 40 FJAB COc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c(OC)c1 225492330 ZKHYHWZUAITWLS-SFHVURJKSA-N 358.507 4.778 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCC[C@H](C)C1 226330252 WVJLVNZDPLEVRN-ZDUSSCGKSA-N 357.885 4.719 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)C3CCCC3)C2)n1 257224478 FBZHGGIGOFZIIC-QGZVFWFLSA-N 367.468 4.779 0 40 FJAB Cc1ccc(-c2nc(NC(=O)CC[C@H](O)c3ccccc3)sc2C)cc1 409206659 ZNLHKUPXLBPMFI-SFHVURJKSA-N 366.486 4.879 0 40 FJAB O=C(c1cccc([C@@H]2CCOC2)c1)N1CC2(CCCC2)c2c(F)cccc21 534873117 DLCZTNACQJSRDJ-GOSISDBHSA-N 365.448 4.802 0 40 FJAB O=C(N1CCC2(CC1)CC2(F)F)C1(c2ccc(Cl)cc2)CCCC1 825533971 TTXPTGDZPWCMCE-UHFFFAOYSA-N 353.840 4.800 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1cc(C)cc(C)c1)C3 2450199 ZKCOQRPENKFCGJ-UHFFFAOYSA-N 369.848 4.982 0 40 FJAB Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c2c(C)c(C)sc2n1 2652322 MGNMZRSFBJEOSF-LBPRGKRZSA-N 371.531 4.586 0 40 FJAB COc1cccc2cc(-c3cn(-c4cccc(C)c4)c(=S)[nH]3)c(=O)oc12 2957848 QOYSGRDSQHBDEU-UHFFFAOYSA-N 364.426 4.625 0 40 FJAB COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4543455 PYZFINNVIZDUGE-UHFFFAOYSA-N 352.217 4.604 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854353 BLUYLIWVPLGBFN-LJQANCHMSA-N 369.827 4.918 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3C)n2)cc1OC 5737557 DVHSROBIDZPQMP-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(C)=O)cc3)nc2c1 6387862 CWYKMCJXVQZJED-GFCCVEGCSA-N 367.474 4.841 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)cc1 6732836 IWFKFYYRINGANE-UHFFFAOYSA-N 373.412 4.873 0 40 FJAB CCCCc1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 6748229 TWLQACVKBSSNIN-UHFFFAOYSA-N 350.285 4.871 0 40 FJAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 7414772 QIIOFNRFJNQKKY-LBPRGKRZSA-N 363.335 4.708 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1Br 8240871 FCWRKCJUBIRYSV-LLVKDONJSA-N 374.234 4.695 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c(C)c1 8558297 NZGYDYUOZUYPNM-GFCCVEGCSA-N 366.230 4.611 0 40 FJAB O=c1cc(-c2ccccc2)nc(Nc2ccc(Nc3ccccc3)cc2)[nH]1 8844086 REJHRRFYXMTMDJ-UHFFFAOYSA-N 354.413 4.924 0 40 FJAB CCCCc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 11748600 ZMZMNQFITZUMMI-UHFFFAOYSA-N 364.489 4.646 0 40 FJAB Cc1ccc(C)c(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 12274576 GMGVCRNWHOVZCU-UHFFFAOYSA-N 370.246 4.994 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C(=O)O)cc1 12274730 BPIMSSNRBRZOSE-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCc2cccnc2)n1 12532991 YKYCEOLVOUWPJK-UHFFFAOYSA-N 362.458 4.566 0 40 FJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 12538938 QXVOUUFMFSNUSN-UHFFFAOYSA-N 367.861 4.897 0 40 FJAB CSc1nc(C)c(CCC(=O)Nc2c(C)cc(C)cc2Cl)c(C)n1 12992987 VVVJZOKRLMXBDW-UHFFFAOYSA-N 363.914 4.657 0 40 FJAB Clc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13769823 VPTKCBYAAKRISR-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13939420 GYBWLWNHSWCUST-UFBFGSQYSA-N 356.702 4.504 0 40 FJAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1nc2ccccc2s1 14136584 WHTSUMZVGKSDNS-AWEZNQCLSA-N 354.500 4.824 0 40 FJAB Cc1c(C(=O)CSc2nnc3n2CCCCC3)sc2ccccc12 14182769 ZNFDGCLAADXBAO-UHFFFAOYSA-N 357.504 4.503 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1Cl 22518625 AKQGRGDNLZJSRO-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB c1coc(-c2nnc(CN3CCc4sccc4[C@@H]3c3cccs3)o2)c1 24002734 HMLHGIDNSUSUAK-QGZVFWFLSA-N 369.471 4.600 0 40 FJAB O=C(COc1cc(Cl)ccc1Cl)NC1(c2ccccc2)CCC1 24968829 BIMVBQNEAYQBNC-UHFFFAOYSA-N 350.245 4.568 0 40 FJAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccc(Br)cc1 26071161 KBBNYNVJJVUGIP-UHFFFAOYSA-N 361.626 4.903 0 40 FJAB Cc1c(Br)cc(C(=O)N2CCc3ccccc3C2)c(C)c1C 27586634 WEZXHQFDLAIISW-UHFFFAOYSA-N 358.279 4.573 0 40 FJAB O=C(Nc1ccccc1F)c1ccccc1C(=O)c1ccc(Cl)cc1 29330491 HXTRDMVLCMSLRU-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB C[C@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1 31420429 DADFDPSHUPPASX-ZDUSSCGKSA-N 358.488 4.514 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c1 32876720 OUHYLDZPZMPKPN-INIZCTEOSA-N 369.436 4.516 0 40 FJAB O=C(C1CCCC1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 36690815 WLDXRJOJEIQHGT-UHFFFAOYSA-N 355.438 4.554 0 40 FJAB O=c1[nH]c(Nc2ccc(Cl)cc2Cl)nc2nccc(-c3ccco3)c12 49544603 ZPJMGDJPOSBXOO-UHFFFAOYSA-N 373.199 4.629 0 40 FJAB COC(=O)c1ccc([C@H]2Oc3ccccc3CN2C2CCCCC2)cc1 57312726 BRNIAKGFYBLQRL-OAQYLSRUSA-N 351.446 4.699 0 40 FJAB CC(=O)N(c1ccc(F)cc1)c1nc(CN(C)[C@@H](C)C(C)(C)C)cs1 58277657 HIDDUMUIQNUTNZ-ZDUSSCGKSA-N 363.502 4.833 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 58404096 MBZQHWNZTWMXFN-LJQANCHMSA-N 366.848 4.580 0 40 FJAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@@H](C)C2)c1 58433781 HZXYUNDGDMOWKA-GOSISDBHSA-N 359.473 4.720 0 40 FJAB COc1c(C(C)(C)C(C)C)c(OC(C)=O)c(OC(C)=O)c2ccccc12 68601958 OKGLGFXLKSAJIF-UHFFFAOYSA-N 358.434 4.633 0 40 FJAB biogenic O=C(Nc1ccccc1N1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 69950435 ICXMYXKVSMROSV-UHFFFAOYSA-N 359.473 4.899 0 40 FJAB CN(Cc1ccc(O)cc1)C(=O)c1cc2ccccc2n1Cc1ccccc1 95952517 UOMMCWVEPUYXNL-UHFFFAOYSA-N 370.452 4.667 0 40 FJAB CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 102677190 ZRYSBUDQQKSPLI-OAHLLOKOSA-N 360.870 4.715 0 40 FJAB O=C(CCc1ccc(F)c(Cl)c1)NCc1cncc(-c2ccsc2)c1 206945468 TXBHTMJMJCAUQQ-UHFFFAOYSA-N 374.868 4.852 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 222622782 AAYDZSZVPOXAKF-OAHLLOKOSA-N 373.865 4.655 0 40 FJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224155379 DDCZZUOCOZPJBW-UXHICEINSA-N 362.502 4.641 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 224607880 UEROSARZLLCLGT-GOSISDBHSA-N 360.457 4.695 0 40 FJAB Cc1cc(C)c(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224705044 DRGWMPIFOBCXQR-UHFFFAOYSA-N 350.506 4.528 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(Cl)c1 224996360 HPAVOHPGDOFSDO-UHFFFAOYSA-N 370.880 4.963 0 40 FJAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225838413 HVYBWULCUBXKMV-KRWDZBQOSA-N 355.478 4.601 0 40 FJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(C(F)(F)F)nc1 390827000 RXGLIUWWLKXDMW-AWEZNQCLSA-N 368.405 4.743 0 40 FJAB CCOc1ccc(-c2nc(NC(=O)CSC(C)C)sc2C)cc1 514495086 VGMZQJRXBFNNCU-UHFFFAOYSA-N 350.509 4.597 0 40 FJAB CCCOc1ccc(Br)cc1-c1nc(O)c2ccccc2n1 575410940 PHNKOUSLJSYYPY-UHFFFAOYSA-N 359.223 4.554 0 40 FJAB CCSc1ccccc1C(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775968501 OVHMYCKUTZKGFC-OAHLLOKOSA-N 373.499 4.584 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccccc4)c23)C1 873237 JIOXAWQVKPPTIU-LBPRGKRZSA-N 354.500 4.791 0 40 FJAB Cc1ccc2c(C)cc(SCC(=O)NCc3ccccc3)nc2c1C 923671 HIKDTTFWHSPKLA-UHFFFAOYSA-N 350.487 4.569 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 951516 MEXCGWADPFWNIP-UHFFFAOYSA-N 361.869 4.972 0 40 FJAB CCOC(=O)c1ccc2[nH]c(C)c/c(=N/c3ccc(OC(C)C)cc3)c2c1 952830 AYOPPHTYJGWPJR-UHFFFAOYSA-N 364.445 4.673 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 1986076 PZJZLINOOXQZBO-GQCTYLIASA-N 352.217 4.663 0 40 FJAB CCCC(CCC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 2417194 KPCKECVPRQPAKF-QGZVFWFLSA-N 365.477 4.544 0 40 FJAB COc1cccc(N[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)c1 3347708 FDBSXCIQRBGVFP-QFIPXVFZSA-N 374.440 4.690 0 40 FJAB aggregator CCCCCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O 5030865 BFTMTYKOMDYUDQ-UHFFFAOYSA-N 373.547 4.764 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2o1 5033929 AKABKSQUABSEFT-SNVBAGLBSA-N 362.838 4.609 0 40 FJAB COc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1OC 5680074 LKYVIMGJOMUCLS-UHFFFAOYSA-N 361.397 4.784 0 40 FJAB CCOc1cccc(/C=C(\C#N)c2cccc3ccccc23)c1OCC(=O)O 6355727 CHYUSDCSIQGWTM-QGOAFFKASA-N 373.408 4.766 0 40 FJAB COc1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1OC 6761947 PHVCNRKXOZYDDQ-SFHVURJKSA-N 366.442 4.861 0 40 FJAB CCCn1nc(NC(=O)C2CCCCC2)c2cc3cccc(C)c3nc21 6785591 SHSMKTPUUSMPKS-UHFFFAOYSA-N 350.466 4.822 0 40 FJAB CCc1ccc(-c2csc(NC(=O)Cc3ccccc3OC)n2)cc1 6790372 MXRFQKMKAJNMPC-UHFFFAOYSA-N 352.459 4.562 0 40 FJAB Cc1ccc(NC(=O)C(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1C 6800422 LRKVCSRSYZVSRP-UHFFFAOYSA-N 360.457 4.591 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)Nc1ncccc1OCc1ccccc1 6896651 BOKXNKTUDCBIED-UHFFFAOYSA-N 359.429 4.793 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 7294621 PUAQTJUOZQOZHL-NSHDSACASA-N 366.280 4.577 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2ncsc2c1 7973517 ABIRUNDNKTZMNQ-UHFFFAOYSA-N 354.765 4.803 0 40 FJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(OC)c1 7996265 UBMGJDLYNGJAKR-UHFFFAOYSA-N 373.455 4.524 0 40 FJAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1cc2ccccc2o1 8237969 HFLBAYMVRXPCQM-LBPRGKRZSA-N 358.235 4.615 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 8903113 JVNMCUBLWFOVMB-UHFFFAOYSA-N 368.458 4.814 0 40 FJAB CCN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2Oc2ccccc21 9134598 ZTURZKVJJPMLHH-UHFFFAOYSA-N 364.445 4.978 0 40 FJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(Br)cc1 9579033 NJLVTKFXCAWETP-KRWDZBQOSA-N 361.283 4.545 0 40 FJAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 12042943 NILPBGJILRQCPL-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1N1CCCC1 12539171 IKRCNBPZFZWRLB-UHFFFAOYSA-N 352.478 4.736 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)c1 12574559 ANXVXYNGYXJQHR-SFHVURJKSA-N 351.494 4.733 0 40 FJAB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(F)cc1 12654086 ZCLINQCXJYIHQJ-UHFFFAOYSA-N 368.412 4.708 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)c12 12923176 QYPSGZMYTXIGRN-NSHDSACASA-N 361.401 4.646 0 40 FJAB Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 16807825 HTONSDMOSIUVSB-UHFFFAOYSA-N 362.458 4.582 0 40 FJAB COc1ccc(-c2nc(C(=O)Nc3cc(C)cc(C)c3)cs2)cc1OC 21630276 FWTXQCZBXUDNLD-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 22621909 SQYQHJROCNPGOA-SECBINFHSA-N 362.273 4.610 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220803 TYUKMOPIVKYLJJ-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB O=C(CCC1CCCC1)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32609705 QQKJJNWXENVKHI-UHFFFAOYSA-N 365.399 4.859 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccc(C)c(F)c3)cc(-c3ccccc3)nc21 36616917 AGMUNAIVKCLHRN-UHFFFAOYSA-N 374.419 4.818 0 40 FJAB COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)c(OC)c1 40098633 VMHHRBHELHBKCJ-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB COc1ccc(CCC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 45344229 XXXIAVXNJQOSQL-UHFFFAOYSA-N 362.473 4.662 0 40 FJAB CSc1nccn1-c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 48249499 AZZAVIDXUPDSRO-KRWDZBQOSA-N 369.515 4.633 0 40 FJAB CCCCCCCCCCCCCCCC(=O)N1CC[C@H](O)[C@H]1C(=O)O 59994900 FMUMUAYILUQEQG-ICSRJNTNSA-N 369.546 4.514 0 40 FJAB Cc1ccnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)c1 61719548 BLUDXRGTDWMFFE-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB Clc1cccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)c1 67261442 OGILFRHNFRNZAD-UHFFFAOYSA-N 363.852 4.952 0 40 FJAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 72331197 STVPOVQSUNWULL-UHFFFAOYSA-N 363.288 4.573 0 40 FJAB Cc1nc(-c2cccs2)sc1CNC(=O)CCSc1ccccc1 90592633 YRMKWWHAAJTYPX-UHFFFAOYSA-N 374.556 4.979 0 40 FJAB Cc1noc(C2CC2)c1NC(=O)[C@H]1C[C@H]1c1c(Cl)cccc1Cl 96011166 XNEWTZWYARDVME-MNOVXSKESA-N 351.233 4.909 0 40 FJAB Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2 101071531 PJOLLNPDHZDHDP-OAHLLOKOSA-N 359.223 4.960 0 40 FJAB O=C(NCC1(c2ccccc2)CCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102645288 IAAUKWJFSPEZKY-WZGNDQMWSA-N 357.925 4.802 0 40 FJAB CC1(C)C[C@@H](NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc2O1 218933017 ZVRNIVZNKRUPDQ-LJQANCHMSA-N 367.489 4.782 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223208827 JGSXBXBQFGVSBF-IRXDYDNUSA-N 359.469 4.973 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Cl)o2)cc1 224857265 PGVDWVHCJCRAEE-UHFFFAOYSA-N 370.836 4.965 0 40 FJAB CSc1ccc(CCC(=O)NCc2cccnc2-c2ccsc2)cc1 225646059 VKAIHZVWAHBEMI-UHFFFAOYSA-N 368.527 4.781 0 40 FJAB CCCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C 225904996 VFARGLJIAZDKIL-FQEVSTJZSA-N 350.503 4.739 0 40 FJAB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3)C[C@@H]21 227486143 LAKAGOORFQLBCA-REWPJTCUSA-N 371.440 4.723 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 257337661 YTVGKSDJXYLQRS-MRXNPFEDSA-N 355.457 4.635 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(C)cc1 408562960 SPXATGGBVXPGEU-LNVKXUELSA-N 368.477 4.988 0 40 FJAB Cc1cccc2cc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)oc12 1264246668 OWTDQFQCGWLWAL-UHFFFAOYSA-N 351.446 4.848 0 40 FJAB Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615161237 XEKRDFZJIJVOAL-UTKZUKDTSA-N 366.480 4.654 0 40 FJAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCc1ccco1 939536 OYHITWZBDSIDNI-UHFFFAOYSA-N 365.216 4.923 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1c2ccc(F)cc2CC[C@@H]1C 997563 PWASPLNMKKRBQV-UONOGXRCSA-N 361.844 4.923 0 40 FJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc4ccccc34)NC(=O)CN21 2436554 DPRNYUUVEWAQKP-AKNQKSQZSA-N 368.480 4.785 0 40 FJAB COc1cccc(NC(=O)[C@@H](Cc2ccc(C)cc2)C(=O)c2ccccc2)c1 2643660 UBSKARLPVQJNDP-QFIPXVFZSA-N 373.452 4.684 0 40 FJAB COc1ccc(-c2cc(C(F)(F)Cl)n3nc(C)c(Cl)c3n2)cc1 2786446 FSGRNGZYWMXUGW-UHFFFAOYSA-N 358.175 4.655 0 40 FJAB Cc1ccc(C(=O)N[C@@H](Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 3147765 NVAZLPRUJVBNSD-MRXNPFEDSA-N 371.695 4.842 0 40 FJAB O=C(CSc1ncnc2ccccc12)Nc1cc(Cl)cc(Cl)c1 3253632 XZMYQGZGIHKIKP-UHFFFAOYSA-N 364.257 4.667 0 40 FJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc(Cl)c3)nc1-2 3651696 JXVLMEJGINHNEY-UHFFFAOYSA-N 356.834 4.629 0 40 FJAB OCCN1CCC(=C2c3ccccc3CSc3ccc(Cl)cc32)CC1 4128775 MDIWTQRVFGMFSH-UHFFFAOYSA-N 371.933 4.836 0 40 FJAB CCOc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1OC 4678993 IWKOJRMOXJFBLH-UHFFFAOYSA-N 365.477 4.723 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)cc1C 4891357 MDJGTJZBAXYBOL-OAHLLOKOSA-N 351.475 4.813 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1C 5343513 LJRPBWKDNWOZRH-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB O=C(Nc1ccc2c(c1)OCO2)OCC1c2ccccc2-c2ccccc21 5776056 YWWREJKFOUDVNZ-UHFFFAOYSA-N 359.381 4.776 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 6054790 NDTXTGRCYVPRAK-CQSZACIVSA-N 367.474 4.981 0 40 FJAB Cc1nc(C(=O)NCCc2ccc(Cl)cc2)cc2c1[nH]c1ccccc12 6075832 JWFIFXRWPKBMRD-UHFFFAOYSA-N 363.848 4.650 0 40 FJAB biogenic CCN1C/C(=C\c2ccccc2C)c2nc3ccccc3c(C(=O)O)c2C1 6561199 NWPFDKHHEWKSJW-SFQUDFHCSA-N 358.441 4.618 0 40 FJAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1cccc2ccccc12 7108642 RGUSEPSWIZSBNZ-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB COc1cccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 7670482 IXKULLQAOVZCCX-UHFFFAOYSA-N 364.879 4.715 0 40 FJAB Cc1ccc(C)c(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 7759974 ZXGMDWLIHNCNER-UHFFFAOYSA-N 363.461 4.794 0 40 FJAB CC[C@H](CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8326990 SFXUESUZUAKQHJ-LJQANCHMSA-N 369.892 4.933 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)N(C)CCOc3ccc(Cl)cc3)o2)cc1 8404456 GTZLJXUGXZISIC-HNNXBMFYSA-N 371.868 4.770 0 40 FJAB CC(C)[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792918 MMGLWGWDNYPYOO-IIBYNOLFSA-N 368.477 4.558 0 40 FJAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)Nc1cc(C)cc(C)c1 10109836 AWIZUGJCTVHBSP-XEYPJELSSA-N 358.526 4.599 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 10461729 YTDLISUITSOLCE-UHFFFAOYSA-N 364.832 4.522 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 11689910 JCJRMPAOJCZODG-UHFFFAOYSA-N 363.413 4.695 0 40 FJAB CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914624 LLACHJDHFJLXFN-UHFFFAOYSA-N 364.420 4.857 0 40 FJAB Cc1cccc(C)c1-n1c(SCc2cccnc2)nc2ccccc2c1=O 12540581 WTMDHKMMBKIJKV-UHFFFAOYSA-N 373.481 4.690 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)Nc2ccccc2Oc2ccccc2Cl)no1 12586440 VRXMWNCFBNPBJQ-CYBMUJFWSA-N 371.824 4.868 0 40 FJAB Cc1cc(C)c(NC(=O)CNC(=O)C2CCC(C(C)(C)C)CC2)c(C)c1 12787543 HWOKBVFGKMYHTC-UHFFFAOYSA-N 358.526 4.519 0 40 FJAB CC[C@H](C)Sc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1 13774641 JJZQZFSMBWLKBC-AWEZNQCLSA-N 366.486 4.546 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)NCC12CC3CC(CC(C3)C1)C2 15084147 WEFSNBKJPNRCIX-UHFFFAOYSA-N 350.506 4.823 0 40 FJAB COc1ccc(CN(Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)cc1 15486014 XQDKGNQARZXMHH-UHFFFAOYSA-N 363.457 4.583 0 40 FJAB CCOc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17308046 JKSZLGUOXHXKNT-UHFFFAOYSA-N 365.824 4.611 0 40 FJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 17346328 GVTNKAKTUZZLFK-SFHVURJKSA-N 372.468 4.667 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(F)cc1 22621458 KSPDNWBXEMEOPK-CYBMUJFWSA-N 368.408 4.501 0 40 FJAB Cc1nc(CCNC(=O)c2sc3cccc(Cl)c3c2Cl)cs1 27991689 FKAGVXURRGZFFD-UHFFFAOYSA-N 371.314 4.946 0 40 FJAB C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl 32797498 NOIYBVGGJLSFOP-NSHDSACASA-N 358.265 4.834 0 40 FJAB CC1=NN(c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)CC1 32926023 VQZBTJRYLXEGNH-UHFFFAOYSA-N 372.266 4.596 0 40 FJAB CCCCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 33088933 HLWBQCVBJBNCBV-OAHLLOKOSA-N 360.457 4.714 0 40 FJAB O=C1S/C(=C\Nc2cccc3ccccc23)C(=O)N1Cc1ccccc1 36636265 WKAGVAFAHXZGFZ-UYRXBGFRSA-N 360.438 4.989 0 40 FJAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1c(F)cccc1Cl 58282512 DRIAESLRUNSRNO-JOCHJYFZSA-N 350.764 4.947 0 40 FJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ncc(C(C)C)o2)n1 71904404 QHVCLBAVKYAUTN-UHFFFAOYSA-N 364.858 4.537 0 40 FJAB Cc1cc(-c2cc(C(=O)N(C(C)C)C3CCC3)c3c(C)noc3n2)c(C)o1 78186570 OTFRDIVQBYDUIA-UHFFFAOYSA-N 367.449 4.811 0 40 FJAB O=C1Nc2ccccc2/C1=C/c1cccc(/C=C2/C(=O)Nc3ccccc32)c1 102970727 OETJQHTUUHEAEF-LRVMPXQBSA-N 364.404 4.672 0 40 FJAB Cc1ccccc1C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 110597009 BXUPRPMHPGBSIS-UHFFFAOYSA-N 360.385 4.972 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219320557 CAIFLVNXAGBFKK-DLBZAZTESA-N 373.880 4.916 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222959654 AEZAMGZCZLTFBY-ROUUACIJSA-N 351.490 4.827 0 40 FJAB Cc1ccc(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 224355371 MWWOSNSVSZQICJ-UHFFFAOYSA-N 357.866 4.738 0 40 FJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1cccc(C)c1 224387203 IPUBVLFOESFHTM-UHFFFAOYSA-N 367.489 4.845 0 40 FJAB O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc(F)c1 224955394 JDKQTPFQEPPPDF-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB CCOc1ccccc1NC(=O)NCc1ccc(Oc2nccs2)cc1 225647911 LIVUPTSCCGBVQI-UHFFFAOYSA-N 369.446 4.656 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226268374 WFXAAAGBNGYWIQ-UHFFFAOYSA-N 367.493 4.690 0 40 FJAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408673945 YATQBJXULNLGMU-CQSZACIVSA-N 371.864 4.596 0 40 FJAB CCc1ccc(-n2c(C)nnc2SCCOc2ccc(C)cc2)cc1 409102386 SKBWFLQQNBKINU-UHFFFAOYSA-N 353.491 4.618 0 40 FJAB O=C(COc1ccc(CNc2ccccc2Cl)cc1)Nc1ccccc1 409265977 XGSPRJQPMUBUAN-UHFFFAOYSA-N 366.848 4.970 0 40 FJAB Cc1c(-c2nn3c(-c4cccc(F)c4)nnc3s2)oc2ccccc12 633131 LAOGQGVGMLRRJW-UHFFFAOYSA-N 350.378 4.714 0 40 FJAB CCc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 888513 HJUDRPWXIXFDME-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB CCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccccc2C)s1 1345293 WJOOISRFOBHPJP-UHFFFAOYSA-N 355.438 4.709 0 40 FJAB O=C(CSc1nnc(Nc2ccccc2)s1)c1ccc(Cl)cc1 3409239 XKQLTGSSIUZHFO-UHFFFAOYSA-N 361.879 4.910 0 40 FJAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(F)cc1 4678347 SVGWAAURZFBIQL-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB COCCSc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 4704429 WYGWMNQOEASLCP-UHFFFAOYSA-N 356.274 4.984 0 40 FJAB Cc1cc2ncn(C[C@@H](O)Cn3c4ccccc4c4ccccc43)c2cc1C 5587809 IXWIEONHFJRXFH-GOSISDBHSA-N 369.468 4.822 0 40 FJAB Cc1ccc(OCCCC(=O)NCCOc2cccc3ccccc23)cc1 5814488 RIQOSEITYZUAEB-UHFFFAOYSA-N 363.457 4.502 0 40 FJAB CCCCCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1 5845575 NHESPHRLXRZYSN-RDTXWAMCSA-N 373.522 4.895 0 40 FJAB COc1ccccc1OCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6602233 ANXSHOLAZIYYLS-UHFFFAOYSA-N 373.758 4.775 0 40 FJAB CCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 7262322 VAQAESAMWNWOOM-UHFFFAOYSA-N 351.849 4.956 0 40 FJAB CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1 7273867 SVNYVLDIQQHBAJ-UHFFFAOYSA-N 363.895 4.905 0 40 FJAB CCc1cccc(C)c1NC(=O)c1ccc(OCc2cscn2)cc1 8007556 VOWAXHODRXHMJK-UHFFFAOYSA-N 352.459 4.845 0 40 FJAB COc1ccc(NC(=O)Nc2nc3cc(C)c(C)cc3s2)cc1OC 8367602 MYLLUHCPMJQUNH-UHFFFAOYSA-N 357.435 4.574 0 40 FJAB O=C(Nc1ccc2[nH]ccc2c1)c1cc2cc(Br)ccc2o1 9134641 YTLZZXNAZBBRLS-UHFFFAOYSA-N 355.191 4.929 0 40 FJAB O=C1S[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 9189337 IDRLSHNSRXQYAY-ZDUSSCGKSA-N 353.230 4.631 0 40 FJAB O=C(c1c(F)cccc1F)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188070 BFEOKHXCOPEKBG-MRXNPFEDSA-N 352.384 4.533 0 40 FJAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c2cccnc12 15840663 LHYOCFDZAYQLFV-UHFFFAOYSA-N 364.445 4.558 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2nc3ccccc3[nH]2)cc1OCC 17303893 PHJQYCUTWOJDPL-UHFFFAOYSA-N 373.840 4.656 0 40 FJAB CC(=O)c1sc(NC(=O)CCc2ccc(C)cc2)nc1-c1ccccc1 21973713 XUYOCAOZWFIZHX-UHFFFAOYSA-N 364.470 4.892 0 40 FJAB CCOC(=O)c1c(-c2csc(Nc3ccccn3)n2)c(C)n(CC)c1C 23625599 HTAAQUDOQGICBY-UHFFFAOYSA-N 370.478 4.564 0 40 FJAB Cc1ccsc1C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 27922555 OTTNJGUXHHVCQY-UHFFFAOYSA-N 359.882 4.824 0 40 FJAB COC(=O)c1c(COCc2ccc(Cl)cc2Cl)cccc1OC 28540954 GTJNMKLVKQIHQR-UHFFFAOYSA-N 355.217 4.505 0 40 FJAB CSc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 29300748 UTCLANTTYCGZCX-CYBMUJFWSA-N 370.499 4.938 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NCc2ccc(Br)cc2)cc1 30640371 RBTGCRNVOOIHDH-ZDUSSCGKSA-N 361.283 4.648 0 40 FJAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1C 35289598 IGOBHQGKBSIGQN-SFHVURJKSA-N 371.868 4.592 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)cn1 40142432 OVFXZKSDDMNKEK-UHFFFAOYSA-N 368.868 4.690 0 40 FJAB CCSCCC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261642 SXRVGMMXXRDHIU-HNNXBMFYSA-N 371.506 4.651 0 40 FJAB COc1ccc(-c2nnc(-c3ccc(OC)c(Cl)c3)o2)cc1Cl 73634435 FVKFAKHYLKQYKN-UHFFFAOYSA-N 351.189 4.728 0 40 FJAB O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCC[C@@H](C(F)(F)F)C1 78716770 FIKJMHKYHKWNQH-LLVKDONJSA-N 369.412 4.980 0 40 FJAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc(Br)s1 79484815 YGVCATZHRTVXPK-GFCCVEGCSA-N 372.313 4.712 0 40 FJAB O=C(/C=C/c1cccnc1)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 84522567 HIAWTANTNGKBMG-QYFOZDBKSA-N 362.860 4.848 0 40 FJAB CC(C)(C)OC(=O)N1CCCN1c1nc2cc(C(F)(F)F)ccc2s1 95446172 BHZRPNHWNSYTCV-UHFFFAOYSA-N 373.400 4.677 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1Cl 102202759 IBZFGRJTSJMRRC-KUHUBIRLSA-N 374.893 4.673 0 40 FJAB CCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 102681216 SMRSKJBRKKDNMS-OAHLLOKOSA-N 360.870 4.715 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C=O)c2ccccc21 216890098 IUXVCLRJGNHDOV-NSHDSACASA-N 362.212 4.868 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)S1 222561820 XHRPQTBLTZHWLS-GTTSAUCSSA-N 364.301 4.978 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)c1 224288581 GXQRXSVZTRRFNQ-MOPGFXCFSA-N 365.527 4.937 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1OCC 225634342 BQMXHMQHEZNUHH-MRXNPFEDSA-N 367.489 4.854 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1Cl 225690761 LZLIEIMUEZBUNA-UHFFFAOYSA-N 363.910 4.710 0 40 FJAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c3ncccc23)CCC[C@H](C)C1 225911848 BGPUBSIKTSNTHC-KSFYIVLOSA-N 370.493 4.948 0 40 FJAB Fc1ccc(Nc2ncncc2-c2nc(-c3cccs3)no2)c(Cl)c1 252509826 YWIUROHFUJFEJR-UHFFFAOYSA-N 373.800 4.791 0 40 FJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)cc2)cc1OCC 408567262 LEFRHJYUOAYDCW-RIYZIHGNSA-N 369.461 4.925 0 40 FJAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCCc2cc(Cl)ccc21 500184483 BFASSCOHYPTUPD-SFHVURJKSA-N 355.865 4.827 0 40 FJAB Cc1ccccc1[C@@H](C(=O)O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 578448370 SXRPTEDGJXULEA-YJBOKZPZSA-N 358.507 4.580 0 40 FJAB Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(C)n1C1CC1 1117715785 UMFGNINOEMYABL-XZOQPEGZSA-N 374.484 4.645 0 40 FJAB Cc1ccc(CN2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)nc1 2037989065 TUOJBUBZYJFMIX-QFIPXVFZSA-N 353.485 4.553 0 40 FJAB Cc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)c2c1 721442 XVJANKFJDRRZDK-UHFFFAOYSA-N 358.232 4.734 0 40 FJAB O[C@@H](c1ccc(Br)cc1)[C@H](CN1CCCCC1)c1ccccc1 1241349 QRMKWWYZRHOYBC-UXHICEINSA-N 374.322 4.752 0 40 FJAB CCc1nc2sc(C(=O)c3cccc(OC)c3)c(N)c2c2c1CCCC2 1472109 GDTVUBYRVUDWQF-UHFFFAOYSA-N 366.486 4.559 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2ncsc2c1 2630604 MBCYLBDNDSMBKY-UHFFFAOYSA-N 355.419 4.811 0 40 FJAB CCCCCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 2632358 ZVSNTKYKWHPKRD-UHFFFAOYSA-N 354.450 4.856 0 40 FJAB CC(C)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 2694359 MBUFPEQXFYNLOA-JOCHJYFZSA-N 367.533 4.504 0 40 FJAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 4077167 XTTRMYKPRBLZPJ-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cc2ccccc2)cc1 4276189 OJAKKVQLMAKLGK-UHFFFAOYSA-N 355.397 4.580 0 40 FJAB O=C(c1cccc(Cl)c1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 4306647 BIHDENHKGPNQHR-SFHVURJKSA-N 350.805 4.925 0 40 FJAB COc1ccc(C2=NC(=C(Cl)Cl)[P@@](=O)(c3ccccc3)O2)cc1 5249209 WQJSVOGWULNECI-HSZRJFAPSA-N 368.156 4.680 0 40 FJAB Cc1cccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c1 6335464 QLJRSRWYJYXGJD-UHFFFAOYSA-N 369.852 4.749 0 40 FJAB Cc1c(NC(=O)c2ccc(F)cc2)cccc1NC(=O)c1ccc(F)cc1 6921331 LUQUQNJAMWYIJF-UHFFFAOYSA-N 366.367 4.778 0 40 FJAB Cc1ccc(Sc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1C 6935948 HKHXVLOKMGOEPF-UHFFFAOYSA-N 361.532 4.676 0 40 FJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C)s1 6968840 MPAFOPXPYQSZJZ-UHFFFAOYSA-N 368.458 4.535 0 40 FJAB O=C(CCSCc1ccccc1)Nc1ccccc1Br 7685470 ZMCWQADTERLMOM-UHFFFAOYSA-N 350.281 4.711 0 40 FJAB CCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886138 PBGZCDNGNGZTPF-QFIPXVFZSA-N 358.441 4.967 0 40 FJAB O=C(CCc1nc2ccccc2s1)N1CCC(Cc2ccccc2)CC1 8289720 ITHPYNNJWSKQRG-UHFFFAOYSA-N 364.514 4.710 0 40 FJAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)cc1 8753465 TZQVFIOUIFCLJT-GFCCVEGCSA-N 365.401 4.610 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1 9063017 JIFYBDMUIXONPM-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cnc2ccccc2n1 10422322 AKYHPIKRIYIHTN-UHFFFAOYSA-N 366.380 4.690 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 10490911 VTBRWLVBQIAZRG-UHFFFAOYSA-N 371.755 4.836 0 40 FJAB Cc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1C 12289039 PXANCAHVAXIMBU-UHFFFAOYSA-N 369.468 4.883 0 40 FJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc(F)c3)cc2)cs1 12562343 CBJINZBRMWDKNW-GFCCVEGCSA-N 355.438 4.697 0 40 FJAB Cc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc12 12654429 QAEAUXNLHRVWRY-UHFFFAOYSA-N 356.878 4.605 0 40 FJAB Cc1nn(C)c2sc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cc12 12896626 RBAGSARIVILAHI-UHFFFAOYSA-N 368.289 4.522 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OC[C@H]1CCCO1 12939865 XCHWGZSMNXLSOP-OAHLLOKOSA-N 365.351 4.516 0 40 FJAB O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@@H]1C(=O)c1ccccc1 13398198 ZXHHEFRILZNCTP-SZPZYZBQSA-N 355.437 4.505 0 40 FJAB CC(c1ccccc1)(c1ccccc1)c1nn2c(-c3ccco3)nnc2s1 13957003 LVEKCLKAERFUMH-UHFFFAOYSA-N 372.453 4.800 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1 14426482 JXHVBACXOIWZOJ-LJQANCHMSA-N 372.468 4.757 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(=O)c2ccccc2o1 15963730 NBGWZOGCGONJCP-UHFFFAOYSA-N 357.365 4.838 0 40 FJAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c1 19559907 WKCNQITWJZWMEK-SFHVURJKSA-N 358.532 4.904 0 40 FJAB O=C(O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 20137057 MCYHHBITKNPIGK-UHFFFAOYSA-N 365.816 4.809 0 40 FJAB CC(C)(C)[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 32832739 HYQMJFYJYLFNHG-FQEVSTJZSA-N 363.461 4.573 0 40 FJAB O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832552 ZJLLMWJQQGGXLL-CQSZACIVSA-N 369.336 4.654 0 40 FJAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3)s2)cc1 39762108 LEMDXHYABOADQS-NYYWCZLTSA-N 371.849 4.519 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1 40869044 ZDCKAQRWVXGNSE-UHFFFAOYSA-N 369.461 4.586 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(OC(F)(F)F)c1 44017740 IPZHIRRRGLYKMM-JTQLQIEISA-N 356.369 4.798 0 40 FJAB COc1cccc([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1 48253457 QWYUBEZUODFVGA-HXUWFJFHSA-N 352.409 4.826 0 40 FJAB Cc1ccc2c(Nc3ccc(Cl)cc3)c(-c3nc(C)no3)cnc2n1 49420745 UQOMXDMCTMGTFM-UHFFFAOYSA-N 351.797 4.694 0 40 FJAB C[C@@H]1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 57427721 LONPHRVCDZFBKG-QGZVFWFLSA-N 363.461 4.690 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 57477059 GSWCRAINLLMEGV-UHFFFAOYSA-N 355.825 4.608 0 40 FJAB CSc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 58160719 FSPKBSJDKXPLMU-UHFFFAOYSA-N 362.498 4.726 0 40 FJAB CC(C)n1cc(-c2cc(C(=O)N3CCCC3)c3ccc(Cl)cc3n2)cn1 63884004 PMXAACUKEIQVCS-UHFFFAOYSA-N 368.868 4.569 0 40 FJAB OCc1ccc(-c2cccc([C@H]3CCCN(CCc4ccccc4)C3)n2)cc1 72348687 HSJSZYLRSQFNTP-QHCPKHFHSA-N 372.512 4.663 0 40 FJAB Clc1ccc2oc(-c3cccc(I)c3)nc2c1 73639087 CVGZWNGWWSOLDE-UHFFFAOYSA-N 355.562 4.753 0 40 FJAB COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1C 79106296 VZMRVOGMPBTYFG-IBGZPJMESA-N 360.413 4.588 0 40 FJAB CSc1ccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1 102739593 CCXBKFCFTTYOCF-HNNXBMFYSA-N 356.451 4.663 0 40 FJAB CC1(C)c2cc(O)ccc2C(=O)c2c1oc1cc(Br)ccc21 114803385 OIGUZKMLGMTOAZ-UHFFFAOYSA-N 357.203 4.771 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)CCSCc2ccccc2)c1 218996986 VZWBPMLOVXDHOW-UHFFFAOYSA-N 371.546 4.846 0 40 FJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 224829997 JCCVDDZJDOHLTN-UHFFFAOYSA-N 373.452 4.806 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881458 IDXGJNVZQBAPAH-SNVBAGLBSA-N 359.731 4.645 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)n1 225285812 HFEYBOUFUSRHOA-UHFFFAOYSA-N 355.441 4.954 0 40 FJAB CC(C)NC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225485065 KAQAGLPZOTZMDQ-UHFFFAOYSA-N 373.500 4.614 0 40 FJAB Cn1cc(CN2CCCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)cn1 257307276 SXZBDQODHWGDST-OAQYLSRUSA-N 366.896 4.863 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)S1 260769246 KTRZODFBJTXRRP-MDASCCDHSA-N 352.507 4.588 0 40 FJAB O=C(COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 309857086 LRLPGMIFXOBKHE-UHFFFAOYSA-N 373.168 4.867 0 40 FJAB O=C([C@@H]1CCCc2ccccc21)N1CCOc2c1cccc2C(F)(F)F 1531059151 TVGHPAXIUIJFNC-OAHLLOKOSA-N 361.363 4.551 0 40 FJAB O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1cccc(Cl)c1 1630459618 RNYIXYGNTIYHDK-FQEVSTJZSA-N 350.849 4.794 0 40 FJAB CCOc1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1 853325 VGKNPLJJCMSBFQ-UHFFFAOYSA-N 374.491 4.676 0 40 FJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)c3cccs3)n12 903020 WXBMZXHZDVRWQY-UHFFFAOYSA-N 367.499 4.844 0 40 FJAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)C3CC3)c(Cl)nc12 1367609 PIAQRZXLXKOYQT-UHFFFAOYSA-N 354.837 4.728 0 40 FJAB CCCOc1cccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c1 2313186 VVSKTSLBHKAHMC-QNGOZBTKSA-N 357.409 4.973 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 3192456 BXBCFWJHSXFVHH-UHFFFAOYSA-N 366.467 4.871 0 40 FJAB Cc1cc(C)c(-c2nnc(NC(=O)c3c(F)cccc3F)s2)c(C)c1 4079134 RLUTUODTKHANFW-UHFFFAOYSA-N 359.401 4.661 0 40 FJAB CCOc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1OC 4168524 MBUCSADKHOZOEN-WYMLVPIESA-N 363.413 4.738 0 40 FJAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1OC 4571579 NPBWLZPJEYJCIJ-ZMZPIMSZSA-N 372.490 4.709 0 40 FJAB COc1c(Br)cc(CNc2ccccc2)cc1Br 4676309 NEHZUIHPAYVFNZ-UHFFFAOYSA-N 371.072 4.832 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 4678021 BOCZPHFWAVIZAW-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB CCC(=O)c1ccc(Br)cc1NC(=O)c1cccc(Cl)c1 4772655 OLYDLUDLEGNKPM-UHFFFAOYSA-N 366.642 4.948 0 40 FJAB CCSc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 5241070 CTVAWBZZJBHFLR-UHFFFAOYSA-N 371.487 4.619 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(F)cc3F)c2cc1C(C)C 6203344 SDHBIXKVOFXXAB-UHFFFAOYSA-N 372.367 4.860 0 40 FJAB O=C(c1ccc(Cl)cc1)N1CCCn2cccc2[C@H]1c1ccccc1 6598053 PNKUNJLJEQQQAR-HXUWFJFHSA-N 350.849 4.777 0 40 FJAB O=C(COc1ccc(Cl)cc1)N(Cc1cccc(F)c1)Cc1ccco1 6747586 ZGAUDXYSURAPOU-UHFFFAOYSA-N 373.811 4.680 0 40 FJAB COc1cccc(-c2c(NC(=O)C(C)C)oc3ccc(Cl)cc3c2=O)c1 6764381 MCEYXRUUAYFGBT-UHFFFAOYSA-N 371.820 4.717 0 40 FJAB CCOc1ccc(Oc2ccc(N[C@@H](C)C(=O)NC3CCCC3)cc2)cc1 7243424 QCHZBZHZCKHLNC-INIZCTEOSA-N 368.477 4.737 0 40 FJAB c1csc(-c2nnc(SCc3nc4ccccc4o3)n2C2CC2)c1 7763775 WFMYQKFIUCBNSD-UHFFFAOYSA-N 354.460 4.775 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OC 7844543 LGWWJJJRTJSUSR-UHFFFAOYSA-N 368.458 4.843 0 40 FJAB CCN(CC)C(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 7985221 QUTVJTMIIPPSPU-UHFFFAOYSA-N 368.521 4.714 0 40 FJAB O=C(c1ccc2ccccc2n1)N1CCC(c2nc3ccccc3s2)CC1 8086315 OZCHQOHNDZVULC-UHFFFAOYSA-N 373.481 4.864 0 40 FJAB COc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 8116613 FRGDUYIZMQZFMC-OEAKJJBVSA-N 361.397 4.723 0 40 FJAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc2c1C 8612299 ZAFVGHKQMULZBA-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB Cc1ccc(C)c(Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)c1 8956033 PWERCUJYRUCUPQ-UHFFFAOYSA-N 367.499 4.555 0 40 FJAB CCc1ccc([C@H](NC(=O)COc2ccccc2)c2cccs2)cc1 10447652 PSAHQIGSVUXSPC-NRFANRHFSA-N 351.471 4.595 0 40 FJAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12994679 GZSMRFCRDQXUIJ-CYBMUJFWSA-N 358.413 4.594 0 40 FJAB O=C(Nc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 14609426 RZEXFZWTYVXNJG-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cn1 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IBRDUOWICGFKCY-SFHVURJKSA-N 352.478 4.700 0 40 FJAB Cc1cccc(C(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1 67350425 LPIPSVFGYIJORR-UHFFFAOYSA-N 361.445 4.634 0 40 FJAB Cc1ccc(CN2CCC3(CCN(Cc4cccs4)CC3)CC2)s1 96047189 NEDCUHNFUIGSAA-UHFFFAOYSA-N 360.592 4.996 0 40 FJAB CO[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1Cl 206850999 XDDDRYIBEHFGHL-KRWDZBQOSA-N 372.877 4.581 0 40 FJAB O=C(CCc1cccc(Cl)c1)N1CCS[C@H](c2ccccc2)CC1 218986920 QDYNRZXRWRACOF-IBGZPJMESA-N 359.922 4.979 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC(C)C)c1ccccc1 219562408 YOFNBBUZAFGAJP-RTBURBONSA-N 355.478 4.756 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219595890 WXNBFPZQYGLIKP-UXHICEINSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccccc1 222978414 WHJKPQZOAQPXGD-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1C(C)C 223790787 REAQWCZAUNRORS-HXUWFJFHSA-N 369.505 4.779 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccccc1C(C)(C)C 224507250 BMAZSXIDGLBURX-UHFFFAOYSA-N 367.489 4.854 0 40 FJAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 224715340 YCHNIWGMSCWOPX-UHFFFAOYSA-N 363.788 4.574 0 40 FJAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccc(Cl)cc1 224941149 FTZRJMKISBFQTC-INIZCTEOSA-N 367.876 4.867 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1OC 225236337 HAXNDLWQVAHBFR-IIBYNOLFSA-N 367.489 4.609 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)c2cccnc12 225886428 PSLUOTXCJRHUTC-NRFANRHFSA-N 358.482 4.948 0 40 FJAB COC1CN(c2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc2)C1 245108438 SXBRDVAFHUPHLS-UHFFFAOYSA-N 364.470 4.502 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 408708769 MHSITVGCMHSXSV-UHFFFAOYSA-N 358.526 4.860 0 40 FJAB CCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 408709387 RXIBRZQHESWCCG-UHFFFAOYSA-N 374.525 4.525 0 40 FJAB Cc1cc(C(=O)Nc2nc(C)c(C(F)(F)F)s2)c(Cl)cc1F 568167104 MUNCWBLCBZVTDA-UHFFFAOYSA-N 352.740 4.824 0 40 FJAB O=C(OCCCc1cccnc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 1325992181 NHBJJEIFMDYXFP-LSDHHAIUSA-N 350.245 4.668 0 40 FJAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)[C@H]2C)cc1OC 640005 WYBOVISLCPAJFV-SOHPYSCWSA-N 356.462 4.681 0 40 FJAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(Cl)cc1 3017233 NKXWYRDBERTJKD-VGOFMYFVSA-N 352.604 4.991 0 40 FJAB O=C(CCSc1ccccc1)NCCSc1ccc(Cl)cc1 3104376 RZRWHGQRLSVYCX-UHFFFAOYSA-N 351.924 4.731 0 40 FJAB COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 4067134 YWHAPWMWSFZVFG-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479413 BYPJHUZJONVCNQ-RMKNXTFCSA-N 360.200 4.695 0 40 FJAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1 4854555 IROAFUBTBLBMSX-HXUWFJFHSA-N 367.399 4.712 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 5394848 VZKZIMKPGTUWFT-UHFFFAOYSA-N 369.679 4.609 0 40 FJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1c(F)cccc1Cl 6049364 DJNIMXHFHNULHT-XJKCOSOUSA-N 370.848 4.640 0 40 FJAB Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 6426750 QAYLEJKZBSDUHB-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB Cc1cc(C)cc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 8603537 AMCCNXBMIGGOCJ-UHFFFAOYSA-N 362.454 4.619 0 40 FJAB COc1cccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)cs2)c1 8704492 UVNYZDMHSVNGIM-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB Cc1csc2nc(CSCc3cccc4ccccc34)cc(=O)n12 8707733 OYJAKVLBMQODKV-UHFFFAOYSA-N 352.484 4.651 0 40 FJAB Cc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9063649 AGVDWMXHAFTNFY-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1C 9196317 POCJGEJOPPRQDC-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1 9461511 KWXIAINEIJBGRM-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(Cl)cc1 9827825 SIGOZDDUHRNZOL-UHFFFAOYSA-N 364.788 4.950 0 40 FJAB COc1ccc(SCC(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 10219245 YCLHUWDQLGIAMH-UHFFFAOYSA-N 358.488 4.653 0 40 FJAB Cc1ccccc1[C@H](NC(=O)c1[nH]c2ccccc2c1C)c1ccncc1 12148509 SHUVHSLXFPMDGE-JOCHJYFZSA-N 355.441 4.699 0 40 FJAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 12265882 FGUPMXGAJSUSNC-UHFFFAOYSA-N 354.837 4.552 0 40 FJAB O=C(CSCc1c(Cl)cccc1Cl)N1CCc2ccccc21 13670215 XPIYXXMIJJUCKO-UHFFFAOYSA-N 352.286 4.816 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1C 14269002 GASDNTGIBSBXDZ-SFHVURJKSA-N 352.478 4.700 0 40 FJAB CC(C)n1ncc2cc(C(=O)Oc3cc(Cl)ccc3Cl)cnc21 14711440 QZPXTOBIOKOHGJ-UHFFFAOYSA-N 350.205 4.538 0 40 FJAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccccc2)cc1 17460712 HUBWPONKTZJSDA-UHFFFAOYSA-N 364.470 4.974 0 40 FJAB COc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC 18228358 CRPHBECZVAOOMS-UHFFFAOYSA-N 362.429 4.635 0 40 FJAB COc1cccc(Cc2ccc([C@@H]3CCCN3C(=O)C3CCCC3)nc2)c1 19687930 IQBSFMAJSFXKBS-QFIPXVFZSA-N 364.489 4.535 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20105707 KKGCFUQALXTKEC-XXBNENTESA-N 359.469 4.977 0 40 FJAB CN(Cc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 20481924 NATGOOSUZMJTNW-UHFFFAOYSA-N 354.302 4.885 0 40 FJAB O=C1C[C@H](c2ccc(O)cc2)c2cc(Br)c3ccccc3c2N1 20851403 MVUOGWHWSMLMFM-OAHLLOKOSA-N 368.230 4.782 0 40 FJAB Cc1cc2occ(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c2cc1C 27095930 RSCVNWRRRHZNCV-QGZVFWFLSA-N 373.456 4.655 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 27795642 QEGSZPKWGQUAKS-UHFFFAOYSA-N 353.447 4.553 0 40 FJAB Cc1c(Cl)cccc1-n1ccnc1SCc1noc(C(C)(C)C)n1 28013733 SLDXHZLERYWYSB-UHFFFAOYSA-N 362.886 4.807 0 40 FJAB C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 29098249 VQJOBFIYOARAHK-INIZCTEOSA-N 368.436 4.686 0 40 FJAB O=C1OC(c2ccc(OCc3ccccc3)cc2)=N/C1=C/c1ccccc1 33826425 PYDBKISPKQEIEX-RCCKNPSSSA-N 355.393 4.610 0 40 FJAB CC(C)c1nc(SCC(=O)Nc2cccc(F)c2)c2ccccc2n1 35290917 KYQSJDQDPBFFPT-UHFFFAOYSA-N 355.438 4.623 0 40 FJAB C[C@@H](NC(=O)NCc1ccccc1Cl)c1ccccc1Br 40016092 QOTJGFFSYSVDOH-LLVKDONJSA-N 367.674 4.663 0 40 FJAB Brc1cc(-c2ccccc2)ccc1OCC[C@@H]1CCCNC1 42770523 QEZANUJYXLGNIE-HNNXBMFYSA-N 360.295 4.885 0 40 FJAB S=C(NCc1cccs1)Nc1cc(Cl)ccc1N1CCCCC1 58725978 IDMPRICHQIRFSJ-UHFFFAOYSA-N 365.955 4.878 0 40 FJAB CCOC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 62715195 BBEWHXAUPVJIDB-DHZHZOJOSA-N 361.235 4.604 0 40 FJAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1F 64471831 JFNQQEAMKLIFNA-UHFFFAOYSA-N 367.399 4.801 0 40 FJAB O=C(NCc1cccc2cccnc12)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 68746097 OGWVBVLVVCEEBN-ZWKOTPCHSA-N 370.374 4.674 0 40 FJAB CC1CCN(c2cc(NC(=O)c3ccccc3F)c(Cl)cc2N)CC1 72229213 VBSQFJFUYHPBKJ-UHFFFAOYSA-N 361.848 4.550 0 40 FJAB COc1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348843 GXDYPEKTNDEOIE-FQEVSTJZSA-N 359.473 4.532 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(Br)c2)C1 89212673 FBCQVHHBOLSEPR-ZDUSSCGKSA-N 369.303 4.508 0 40 FJAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(OCc2ccccc2Cl)cc1 100098744 GZOIADSRYIUVIJ-AKCHCHLHSA-N 355.865 4.837 0 40 FJAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc2ccccc2c1 108049034 HTZGUDNHBCPQCZ-UHFFFAOYSA-N 372.449 4.825 0 40 FJAB O=C(Cc1cccs1)N1CCS[C@H](c2ccccc2Cl)CC1 208046206 OCVYYYSFQFEXLJ-INIZCTEOSA-N 351.924 4.651 0 40 FJAB O=C(CSCc1ccccc1F)NCCSc1ccc(Cl)cc1 222698847 ACKJYLGKWHZBAZ-UHFFFAOYSA-N 369.914 4.621 0 40 FJAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222994288 BKSLPLRHAXKWBR-QGZVFWFLSA-N 353.531 4.984 0 40 FJAB Cc1ccc(OCCCC(=O)NCCOc2ccc3ccccc3c2)cc1 223609793 DUXPJQGFZNIKLB-UHFFFAOYSA-N 363.457 4.502 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224138879 NVZLCMKUWOLCNT-AWEZNQCLSA-N 361.869 4.846 0 40 FJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224298195 IGTAYYROIPCPSK-MRXNPFEDSA-N 363.457 4.956 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 226270299 CVQUHGVELQMCJT-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB Cc1csc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)n1 257322754 WHGUGEZAECISHH-UHFFFAOYSA-N 359.495 4.628 0 40 FJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CC[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 257349002 KTDCVTGLYJBIFI-MPPALOIVSA-N 358.522 4.920 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1cc2ccccc2s1 390830044 IKOYEOMYKHPGLV-CQSZACIVSA-N 369.467 4.686 0 40 FJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408662065 MLZGOIZVRMREGI-QGZVFWFLSA-N 365.473 4.505 0 40 FJAB CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 408807618 CZEMSSQTYLFWSG-NTUHNPAUSA-N 354.214 4.920 0 40 FJAB CSc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 575473081 FUNGTFRKXCWQIR-GFCCVEGCSA-N 353.495 4.519 0 40 FJAB Fc1ccc2c(C3CCN(c4ncccc4C(F)(F)F)CC3)noc2c1 577432537 RHUMDAMBLSEBHR-UHFFFAOYSA-N 365.330 4.765 0 40 FJAB O=C([C@@H]1C[C@H]1C1CCCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 650066830 QKEMFABXHCKUJU-UONOGXRCSA-N 372.456 4.694 0 40 FJAB Cc1occc1-c1cc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)no1 683807198 WJYXJUVVVLCJDZ-XJKSGUPXSA-N 351.406 4.653 0 40 FJAB O[C@H](C[C@@H]1CCCCCN1Cc1cnc2ccccc2n1)c1cccs1 851803375 SCSWXJAMNVUTJD-FXAWDEMLSA-N 367.518 4.560 0 40 FJAB CN1CC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 2037844549 WZXKLRBHVBNEKJ-HNNXBMFYSA-N 368.481 4.582 0 40 FJAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 672861 GQVDLGAVVPXHTC-AWEZNQCLSA-N 370.518 4.621 0 40 FJAB Brc1c(CSc2nc3ccccc3o2)nc2ccccn12 940859 YPSYFRIYFPVIIK-UHFFFAOYSA-N 360.236 4.530 0 40 FJAB COC(=O)c1c(NC(=O)/C=C/C=C/c2ccccc2)sc2c1CCCC2 1783239 JEHPSJLFWVOSCU-XMGZOKRTSA-N 367.470 4.622 0 40 FJAB CC[C@@]1(C)Cc2c(sc3nc(SCCC(C)C)nc(N)c23)CO1 2299887 NTJBBBGJUMLFMY-KRWDZBQOSA-N 351.541 4.653 0 40 FJAB CC(=O)c1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1 2628429 OARSCZDOJBHSND-UHFFFAOYSA-N 354.258 4.927 0 40 FJAB COc1cccc(OCc2ccccc2)c1C(=O)[C@H]1O[C@@H]1c1ccccc1 3120598 LVEKADWKKOAHFB-DHIUTWEWSA-N 360.409 4.597 0 40 FJAB Cc1ccc(-c2csc(NC(=O)CSCc3c(C)noc3C)n2)cc1 3340376 QFPHFQCNISTZNE-UHFFFAOYSA-N 373.503 4.595 0 40 FJAB O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccc1 3897944 XVGBYVDAMKJEAF-UHFFFAOYSA-N 356.425 4.631 0 40 FJAB O=S(=O)(Nc1ccc2ccccc2c1)c1c(Cl)cccc1Cl 4062770 OOKBVRBBJUZQSS-UHFFFAOYSA-N 352.242 4.947 0 40 FJAB CCCSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 4086650 GKWANOIAUTVVTG-UHFFFAOYSA-N 355.488 4.960 0 40 FJAB O=C1CC(Nc2ccc3nc(-c4ccccc4)oc3c2)=NN1c1ccccc1 4107403 MKTVGRMRZZWLQV-UHFFFAOYSA-N 368.396 4.657 0 40 FJAB CCSc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 4585767 CLNQKIDLWSBDNS-UHFFFAOYSA-N 360.504 4.663 0 40 FJAB CCn1c(SCc2ccc(C)cc2)nc2sc3c(c2c1=O)CCCC3 5100625 MFTCZAKNNAOPCG-UHFFFAOYSA-N 370.543 4.957 0 40 FJAB CC(=O)CCc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 5347890 SSMPFOPIFXQBFN-UHFFFAOYSA-N 373.452 4.893 0 40 FJAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Br)cc1 6185759 QTBWVVUMCFSVBN-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 6431810 WCYRBAZXTGBWIB-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB COc1ccc(NC(=O)c2cccc3ccccc23)cc1Br 6846965 AQTLMIPAUYXXSK-UHFFFAOYSA-N 356.219 4.863 0 40 FJAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2C)o1 7602282 LDDCRMBBSZZSLY-UHFFFAOYSA-N 362.886 4.859 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 8315824 HAXJMRQLOWODON-UHFFFAOYSA-N 363.461 4.662 0 40 FJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1F 9141155 MOAOFTUIMHTMDZ-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB O=C(Nc1nc2ccc(F)cc2s1)N(Cc1ccco1)Cc1ccco1 9502660 JGNLETTUAMUFDK-UHFFFAOYSA-N 371.393 4.856 0 40 FJAB O=c1c2ccccc2nc(SCCOc2ccccc2)n1C1CCCC1 10141706 WTCCUHMQZDHBHU-UHFFFAOYSA-N 366.486 4.683 0 40 FJAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccco1 12909092 SLAIBGZBCYMEOE-UHFFFAOYSA-N 353.230 4.886 0 40 FJAB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1Cl 15541005 GSVVINWRUJDVIK-QPJJXVBHSA-N 370.714 4.919 0 40 FJAB Fc1ccccc1COc1ccc2ccccc2c1CNC[C@H]1CCCO1 16525890 ZRYYUAGCPAFJSE-LJQANCHMSA-N 365.448 4.827 0 40 FJAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)CC1CCCCC1 19575445 RKGINXSOVFINAT-CYBMUJFWSA-N 367.415 4.530 0 40 FJAB CC(C)c1ccc(/C=C/C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 19832530 CHJAHKSNEDRHHA-LQAKELLUSA-N 374.528 4.681 0 40 FJAB COc1cccc(OC)c1C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20492984 AYDZEHHGPQWDOW-QFIPXVFZSA-N 361.441 4.532 0 40 FJAB Clc1cccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 23989583 WJHDSLJMSCBMJC-UHFFFAOYSA-N 363.892 4.647 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccccn1)N[C@H](c1ccccc1)C1CC1 29726035 SXXIDQYHBTXFNL-YADHBBJMSA-N 357.457 4.622 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cccs1 32868764 HDAWLBFYVQZRIJ-AWEZNQCLSA-N 363.442 4.685 0 40 FJAB CCOc1ccccc1NS(=O)(=O)c1cccc2cccc(Cl)c12 35685476 NCEKQKUHKGPTFZ-UHFFFAOYSA-N 361.850 4.693 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 44885113 DSSMOXWEKCRHGS-FXAWDEMLSA-N 355.478 4.737 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(F)cc1 44934265 PAVYWOMSEQVXNO-KRWDZBQOSA-N 354.469 4.693 0 40 FJAB COc1c(Br)cc(C(C)(C)C)cc1C(=O)NC1CCCCC1 57339402 DUMIZHYSBAQRLI-UHFFFAOYSA-N 368.315 4.818 0 40 FJAB COc1ccc(C)cc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(C)cc1 57882071 UGKVRJYVKUMVAA-DEOSSOPVSA-N 374.484 4.630 0 40 FJAB COC(=O)c1ccc(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 58145717 REBWVNOUABRWFQ-UHFFFAOYSA-N 372.273 4.507 0 40 FJAB CC(C)c1nc(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cs1 58803254 QRJOAGSLWUMNGW-HXUWFJFHSA-N 364.514 4.909 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(Br)c1 71844256 OBTZSPHXKRIKJV-MSOLQXFVSA-N 373.294 4.643 0 40 FJAB Cc1ccc(C[C@H]2CCCN(Cc3nnc(-c4ccc(F)cc4)o3)C2)cc1 71847851 XAVCBQWBHOMMCT-GOSISDBHSA-N 365.452 4.639 0 40 FJAB O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)c1cccnc1 72275222 VDUVGGPVRRXIRT-UHFFFAOYSA-N 358.376 4.765 0 40 FJAB COc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 72348805 FSJUCEQLSRQFHG-IBGZPJMESA-N 359.473 4.532 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 95117844 HVQFOKUHZSAFGV-JWGURIENSA-N 356.425 4.824 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccs2)C[C@@H](c2ccccc2)C1 102839809 VWXPNFPDQMVROO-SJKOYZFVSA-N 364.430 4.760 0 40 FJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)S1 222629189 ZOFUXRDQWDZBGP-KPOBHBOGSA-N 361.470 4.931 0 40 FJAB O=C(OCc1ccc(Cl)cc1Cl)c1snnc1-c1ccccc1 223834160 POEXWWHJYTVYEC-UHFFFAOYSA-N 365.241 4.869 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224295924 ZCLDXXPVALFXOH-GOSISDBHSA-N 369.505 4.563 0 40 FJAB COc1ccc(C(=O)N2CCC(C)CC2)cc1CSc1ccccc1 224328517 BGLXUGDICDALRY-UHFFFAOYSA-N 355.503 4.860 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2O1 224677009 BLJVTAYJCQFQPJ-HNAYVOBHSA-N 371.452 4.792 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3CC)o2)cc1 224856877 MAGGGSBKCKKZLA-UHFFFAOYSA-N 364.445 4.874 0 40 FJAB Cc1cccc(OCCNC(=O)CSCc2cccc3ccccc23)c1 224953737 KMYJQKXRBANPMR-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(SC)cc3)N21 260762946 HVRAVKJTYAOKJW-OLMNPRSZSA-N 355.532 4.783 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccn(C(C)(C)C)c3)N21 260778007 QXJMUZCGPKYQTO-NXHRZFHOSA-N 354.523 4.618 0 40 FJAB COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 409416136 LQDMILLOELFTFE-KTKRTIGZSA-N 367.832 4.579 0 40 FJAB OC1CCN(Cc2cccc(NC3CC(c4ccccc4Cl)C3)c2)CC1 509207915 CDMMLRPSWBNALF-UHFFFAOYSA-N 370.924 4.655 0 40 FJAB CCOc1cc(C)c(S(=O)(=O)Oc2cccc3ccccc23)cc1C 1776004656 WRIVYTZERREVOZ-UHFFFAOYSA-N 356.443 4.623 0 40 FJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 703860 YRAWPYBSGVJHCS-UHFFFAOYSA-N 351.402 4.609 0 40 FJAB biogenic Oc1ccc([C@]23CCC[C@H]2C2(CCCC2)c2ccc(O)cc2O3)c(O)c1 1079806 VVKZOCOBTLMOQJ-RBBKRZOGSA-N 352.430 4.703 0 40 FJAB COc1ccccc1-c1c(C)nn2c(NCCc3ccccc3)cc(C)nc12 3063579 WEYGDZSZZQSBMJ-UHFFFAOYSA-N 372.472 4.676 0 40 FJAB Cc1ccc2c(COC(=O)C3CCC(C(C)(C)C)CC3)cc(=O)oc2c1 3355195 SYZFUUDLXGXAQW-UHFFFAOYSA-N 356.462 4.997 0 40 FJAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1sc2ccccc2c1Cl 4275965 ILWJQMNIFSFBPT-UHFFFAOYSA-N 373.796 4.996 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(F)cccc2s1 4331613 AASGPVJHFHTHRT-UHFFFAOYSA-N 352.390 4.850 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1 4496607 NKNSRTFCQCKLCN-UHFFFAOYSA-N 365.867 4.572 0 40 FJAB CC(=O)N[C@@H]1c2ccccc2C(=O)N1C1CCCCCCCCCCC1 4591764 YTUCJNDNOPXJLA-NRFANRHFSA-N 356.510 4.950 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)c1 4702944 PGOVKLIORSPQMU-INIZCTEOSA-N 370.880 4.565 0 40 FJAB COc1cccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2Cl)c1 5002021 CJFMBVFAOHRURP-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB CCOc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 5023183 FKLYFXFPPXVHNW-UHFFFAOYSA-N 354.431 4.580 0 40 FJAB CC1(C)[C@H](CC(=O)Nc2ccc(F)cc2)C[C@H]1C(=O)Nc1ccc(F)cc1 5727838 IQOCSCWBMBZVRV-UGSOOPFHSA-N 372.415 4.594 0 40 FJAB Cc1c(O)ccc2c(CSc3nnc(C4CCCCC4)o3)cc(=O)oc12 6373872 NUPLLDRWVIAYAL-UHFFFAOYSA-N 372.446 4.530 0 40 FJAB CCCCc1ccc2nc(NC(=O)C(Cl)(Cl)Cl)sc2c1 6398106 YTLRJPRHJKXOMI-UHFFFAOYSA-N 351.686 4.948 0 40 FJAB O=C(NCc1ccccc1)c1ccccc1OCc1nc2ccccc2s1 6462341 RFIVDFHDWVKRDA-UHFFFAOYSA-N 374.465 4.805 0 40 FJAB CCCCc1c(O)cc(-c2cccnc2)n(-c2ccc(Cl)cc2)c1=O 6569827 FENQSZOZVFXMJB-UHFFFAOYSA-N 354.837 4.601 0 40 FJAB aggregator C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1cccc(Cl)c1 8185524 SOYHZKBDZFTORE-JTQLQIEISA-N 362.813 4.893 0 40 FJAB Cc1ccc2c(CSc3nc(-c4cccs4)n[nH]3)cc(=O)oc2c1C 8230777 IJKUPXZTFNLILF-UHFFFAOYSA-N 369.471 4.549 0 40 FJAB Cc1csc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)n1 8327875 CVJVACOWHDCVAD-UHFFFAOYSA-N 370.459 4.757 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(Cl)cc1Cl 8558791 ZKPBIXKPWNOPFG-OAHLLOKOSA-N 356.224 4.606 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(NC(C)C)s1 8750167 KOJNDUAPUWUTHD-GFCCVEGCSA-N 364.540 4.603 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c(C)c1 9064457 DYDPAHDCQGCDGV-SFHVURJKSA-N 352.478 4.700 0 40 FJAB O=C(NCCc1cccc2cccnc12)c1ccccc1-c1ccccc1 12793801 IODRSUQYRYDICB-UHFFFAOYSA-N 352.437 4.874 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 13633105 XULHHWCVMGDJAE-QGZVFWFLSA-N 374.440 4.653 0 40 FJAB CCN(CC)C(=O)C[C@@]1(Cc2ccccc2Cl)CCO[C@H](C(C)C)C1 13655782 ABFDXIGXACACJB-PZJWPPBQSA-N 365.945 4.962 0 40 FJAB Cc1ccccc1CSCCNC(=O)CCSCc1ccccc1 13688045 ZGMIOLXGGRZCKW-UHFFFAOYSA-N 359.560 4.668 0 40 FJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Br)o2)cc1 14268890 CIKRICYFBYTPKK-LBPRGKRZSA-N 363.255 4.673 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 14396638 PZZGHSZGJAARCZ-VIFPVBQESA-N 361.722 4.904 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 15418865 RQJVWBZYMSBJBW-UHFFFAOYSA-N 355.743 4.960 0 40 FJAB COc1cccc(OCc2nnc(SCc3ccccc3Cl)o2)c1 19928563 GXGCJRPJZVAULO-UHFFFAOYSA-N 362.838 4.603 0 40 FJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1ccccc1 22877732 WNATTXRLVDEGEA-KSSFIOAISA-N 374.278 4.580 0 40 FJAB C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccc(F)c1 24760229 KBEDYMVLLXUNEO-JTQLQIEISA-N 361.214 4.561 0 40 FJAB O=C(Nc1nc2c(s1)CCC2)c1ccc2noc(-c3ccccc3)c2c1 25768558 IDYMMPXTQBLGRG-UHFFFAOYSA-N 361.426 4.692 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CSCCN 26570714 QNALNJDVSSJNFL-YSNDBMGOSA-N 365.627 4.842 0 40 FJAB CCCCCOc1ccc(S(=O)(=O)NC2CCCC2)c2ccccc12 28251929 CQRRXIDLWBSXKO-UHFFFAOYSA-N 361.507 4.630 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2cccnc12 28293307 JOMPWEDZBPRKMH-CYBMUJFWSA-N 370.836 4.611 0 40 FJAB C[C@@H](NC(=O)CSCc1cccs1)c1ccc(C(F)(F)F)cc1 30116135 JMTJSCDQJHTLIW-LLVKDONJSA-N 359.438 4.878 0 40 FJAB COc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 30862963 QSANJIFVSULKBJ-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB Cc1nc(SCc2noc(-c3ccco3)n2)n(C2CCCCC2)c1C 30885456 CVQBZUKHNBEMLI-UHFFFAOYSA-N 358.467 4.940 0 40 FJAB Cc1ccc(C(C)C)c(OCCN2C(=O)[C@H](C)CNc3ccccc32)c1 31903335 HAKZRWXCQXXHJV-QGZVFWFLSA-N 352.478 4.592 0 40 FJAB COCc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2cccc(F)c12 32740540 UPFLKDHRPGGAAF-GFCCVEGCSA-N 355.434 4.778 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@@H]1c1cccs1 32740786 HIBYKXQUVGAXRM-CYBMUJFWSA-N 360.529 4.839 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1nc(-c2ccccc2)[nH]c1C 32932501 ZPHPAYQAGFFRIF-UHFFFAOYSA-N 355.825 4.608 0 40 FJAB CCCCCCc1cc2cc3c(=O)n(-c4ccccc4)nc-3oc2cc1O 33261850 VZHWIXATUOXDOF-UHFFFAOYSA-N 362.429 4.912 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2cccs2)cc1F 57508777 ZKHQUIFVUKEQPE-FOIQADDNSA-N 368.477 4.902 0 40 FJAB COc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2C)cc1 67341649 ZGTRJRFLLJTFRP-UHFFFAOYSA-N 366.421 4.514 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1C[C@H]1c1ccccc1F 69929299 OPTNWIMIBMPYOU-HOTGVXAUSA-N 353.393 4.609 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1C[C@@H]1c1ccco1 70017433 PXRROMDHVHEBKK-DTWKUNHWSA-N 350.852 4.860 0 40 FJAB O=C(CC1CCCC1)Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1 72404124 PTKWBOYXYGAJQZ-UHFFFAOYSA-N 365.433 4.927 0 40 FJAB O=C(CSc1ccccc1F)Nc1cnccc1-c1cccc(F)c1 89814067 WKKZAVQJAFFCBG-UHFFFAOYSA-N 356.397 4.758 0 40 FJAB Cc1ccccc1NC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96037619 RZKWNVAJSQZWKT-UHFFFAOYSA-N 368.440 4.710 0 40 FJAB CCCCOc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1 100837241 POTPUHQJNCVKOY-VZCXRCSSSA-N 374.893 4.813 0 40 FJAB CCOc1ccc([C@@H]2C=C(c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 102048014 STQQBBMQAUFZLO-NRFANRHFSA-N 360.461 4.856 0 40 FJAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1C 106693907 NOQBCTKQUJURKR-YVLHZVERSA-N 358.438 4.500 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CSCc1c(F)cccc1Cl 115589093 LZJPBASOUFYNBO-LBPRGKRZSA-N 367.873 4.598 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219327683 CHROWMAJFDDAQW-MOPGFXCFSA-N 371.452 4.710 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223247062 SSBVFEAQCNOYNX-VGOFRKELSA-N 351.490 4.827 0 40 FJAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1 224083468 XZWYRCFQWLFESY-UHFFFAOYSA-N 353.462 4.727 0 40 FJAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(Cl)cc1 224502523 ZSHZTUKWRILZAK-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cl)cc1F 224628995 WVFJAEMUKFVVKJ-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225465324 LAOCXNSLSVPBKK-UHFFFAOYSA-N 361.898 4.677 0 40 FJAB O=C(CCSc1ccccc1)NCc1cccnc1-c1ccsc1 225645137 VGQPIYMNAZYKLS-UHFFFAOYSA-N 354.500 4.609 0 40 FJAB COc1cc(C)c(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1C(C)C 225669493 ZIYZJKDAZBWRNO-GOSISDBHSA-N 369.505 4.941 0 40 FJAB COc1ccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)O)s2)cc1 408892504 ZZZFCFULXOJDFH-UHFFFAOYSA-N 368.458 4.806 0 40 FJAB Cc1nc(Sc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 719361 XIOOPQPKOWFDSF-UHFFFAOYSA-N 370.499 4.801 0 40 FJAB Fc1cccc(Cl)c1CSc1nnc(COc2ccccc2)o1 899623 JPUJMSDXVNULBB-UHFFFAOYSA-N 350.802 4.733 0 40 FJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ccccc1 1428424 OZTDRRZPVBYJQD-UHFFFAOYSA-N 356.425 4.733 0 40 FJAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 2951276 KXXDEPRTCZIDDD-PYCFMQQDSA-N 365.389 4.513 0 40 FJAB COc1cccc(CN(C)C(=O)Nc2cccc3ccccc23)c1OC 3359248 ZYWBIOWXMPGXHP-UHFFFAOYSA-N 350.418 4.521 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 4704384 VEUOLQKWVLLWRR-UHFFFAOYSA-N 350.340 4.696 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235904 WBFOHHSIVRYVCE-OAHLLOKOSA-N 367.880 4.929 0 40 FJAB CCc1cccc(CC)c1NC(=O)COc1cccc(Br)c1 5717556 RQAWSUPOBNKSAZ-UHFFFAOYSA-N 362.267 4.591 0 40 FJAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)c2ccc(F)c(F)c2)cc1 6056451 WAINJGJLLMDQCB-LBPRGKRZSA-N 373.428 4.526 0 40 FJAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc3ccccc3s2)c(Cl)c1 7690417 RDFVGVFFPNANFM-UHFFFAOYSA-N 373.909 4.637 0 40 FJAB Cc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)cc1F 7973028 GBHPIIWFFRNRCA-UHFFFAOYSA-N 350.393 4.977 0 40 FJAB Cc1ccc(CN(C)CC(=O)Nc2ccccc2Sc2ccccc2)o1 7975823 UVAIJTVSUAJHHW-UHFFFAOYSA-N 366.486 4.810 0 40 FJAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063598 CZFXJLGYHTVGLY-UHFFFAOYSA-N 368.496 4.801 0 40 FJAB CC(=O)Nc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1 9114585 AUDJLFDKHLOSND-UHFFFAOYSA-N 360.413 4.619 0 40 FJAB O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1CCc1ccccc1 9355395 PVQMWLVVRLWXKZ-QHCPKHFHSA-N 352.437 4.956 0 40 FJAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10276655 VTLVOLPFCLKJKU-CVEARBPZSA-N 355.478 4.637 0 40 FJAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccccn3)no2)cc1 11916456 XSYUWEHYFAAVGH-UHFFFAOYSA-N 369.424 4.892 0 40 FJAB Cc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1-c1ccccn1 12551486 GDPMURQQVBLSSF-UHFFFAOYSA-N 362.458 4.566 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 12780581 NUXCWZPARSHXES-CYBMUJFWSA-N 373.909 4.717 0 40 FJAB CCCC(=O)N(Cc1ccncc1)c1nc2c(C)cc(Cl)cc2s1 13037065 YKEKANCTKQHGIV-UHFFFAOYSA-N 359.882 4.986 0 40 FJAB CCN(CC)CCCNCc1ccc(OCc2ccccc2Cl)cc1 13734115 LIHSSFDSZZNDLX-UHFFFAOYSA-N 360.929 4.741 0 40 FJAB CCCCOCCCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13942312 BOMHWGNPBABUBK-QFIPXVFZSA-N 362.473 4.920 0 40 FJAB Cc1cccc2cc(CNCCc3ccc(-c4ccccc4)cc3)c(=O)[nH]c12 13999710 GCYNBSZRPUUFNS-UHFFFAOYSA-N 368.480 4.836 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 14198325 AUUJKYKPMUIZRX-IZZDOVSWSA-N 374.362 4.706 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N[C@H]3CCOc4ccccc43)ccc2c1 14198534 JAKOUDPFAGQQSP-VFNWGFHPSA-N 361.441 4.592 0 40 FJAB Cc1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)s1 14241314 XHJLXLXJESGSSV-MRXNPFEDSA-N 359.545 4.649 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1C[C@@H](C)C[C@@H](C)C1 18205454 YKACPVQGBNFYJK-BETUJISGSA-N 360.548 4.655 0 40 FJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cc2c[nH]c3ccccc23)cs1 18235524 GLWYOJREESKQTR-UHFFFAOYSA-N 373.481 4.732 0 40 FJAB CN1CCN([C@H]2Cc3ccccc3Sc3cccc(C4CC4)c32)CC1 19802372 QGLAZEQEBKZSQP-IBGZPJMESA-N 350.531 4.560 0 40 FJAB O=C(CSCc1ccccc1Cl)NCCSCc1ccccc1 20237988 JIKJBQWCEYXQKO-UHFFFAOYSA-N 365.951 4.623 0 40 FJAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)c1ccccc1 32910011 KMWINWAZRMSJIC-HNNXBMFYSA-N 371.392 4.923 0 40 FJAB CN(c1ccccc1)c1ccccc1NC(=O)Cc1noc2ccccc12 40114532 XBANMJJPMZLBIX-UHFFFAOYSA-N 357.413 4.777 0 40 FJAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)c1 44856349 GGONBHICEPJMJY-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB Cc1n[nH]c2c1[C@H](c1cccc(Oc3ccccc3)c1)SCC(O)=N2 44893851 IUDUVFHTZNCJQU-SFHVURJKSA-N 351.431 4.935 0 40 FJAB C1=C(c2ccccc2)CCN(c2nccn3nc(-c4cccs4)cc23)C1 67285208 IARUOOOAOPLNNK-UHFFFAOYSA-N 358.470 4.752 0 40 FJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@@H]1c1cccnc1 84374374 VCTPVQPIYOPXOL-IAGOWNOFSA-N 356.516 4.693 0 40 FJAB COc1ccc2nc(NC(=O)N(C)[C@H](C)c3ccccc3F)sc2c1 84660614 JJOIXTGCUKZKGU-LLVKDONJSA-N 359.426 4.669 0 40 FJAB O=C(N[C@@H](SCc1ccccc1)C(=O)c1ccccc1)c1ccccc1 94992795 MFJMHNUYMFDFLZ-QFIPXVFZSA-N 361.466 4.559 0 40 FJAB C[C@@H]1CCCC[C@H]1OCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 95955450 OBWBPLIKWLIVAQ-CZUORRHYSA-N 354.475 4.747 0 40 FJAB COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3cccs3)C[C@H]21 102907500 KIGCCPSJMFQAMY-QRWLVFNGSA-N 366.442 4.900 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219330097 VVKCVOGRYSHXQG-PMACEKPBSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223472672 GLPWPVXTDWTDQX-PKOBYXMFSA-N 355.478 4.655 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OC)c(C)c2)c2ccccc2O1 223701581 DBVZTJAUEVBAMD-GOSISDBHSA-N 353.462 4.816 0 40 FJAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccccc2C(C)C)c1 223746406 AHGVAJHHHYYJGS-UHFFFAOYSA-N 371.546 4.855 0 40 FJAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 223931210 KSJNWMZOGDDCGC-SFHVURJKSA-N 369.505 4.563 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(C)c(C)c1 224285847 WJPRMFSYZAEIET-UHFFFAOYSA-N 367.489 4.954 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COC(C)C 224722923 TWFCRVQWAOEMOL-OAHLLOKOSA-N 359.441 4.640 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1C 225293981 KTIDEJTZRLEHBU-JOCHJYFZSA-N 361.489 4.738 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cc(C)ccc1C)CC(C)(C)O2 225680802 WNYKNZDJEWATOO-SFHVURJKSA-N 370.518 4.901 0 40 FJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c2ncccc12 225887276 KIQFWPHEWMREEG-NRFANRHFSA-N 358.482 4.948 0 40 FJAB COC(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 226317707 XGOFLFBYMFBFFE-UHFFFAOYSA-N 366.598 4.697 0 40 FJAB Cc1cccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)c1C 409121537 XSILKTRCJDQDEJ-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 504767312 YHYUVQKJDHGHMZ-FHLIZLRMSA-N 359.878 4.997 0 40 FJAB Cc1nc([C@H]2CCCN(Cc3ccc4oc(C(=O)O)cc4c3)C2)sc1C 565101952 BBLCKQDLUNTDCC-HNNXBMFYSA-N 370.474 4.584 0 40 FJAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccccc1 585147857 DDWIEEOSINJYOA-JKSUJKDBSA-N 371.527 4.820 0 40 FJAB CC1(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CCOCC1 588353060 WDLAOHSQUCFULL-UHFFFAOYSA-N 371.289 4.872 0 40 FJAB CCCCc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1 2037958869 WNWBLQSFAIZQQU-YTFSRNRJSA-N 371.496 4.619 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)cc1 898577 YOQJNTLCWBOZPE-HNNXBMFYSA-N 364.470 4.865 0 40 FJAB Cc1nn(-c2ccc(Cl)nn2)c(C)c1Cc1c(Cl)cccc1Cl 2157250 ZRHXTMOYXAFFSU-UHFFFAOYSA-N 367.667 4.830 0 40 FJAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 2629613 POZKVGWCJKUOGG-AWEZNQCLSA-N 354.500 4.780 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(F)c1F 2647615 WLTRWZLIPJXKIF-ZETCQYMHSA-N 364.150 4.817 0 40 FJAB O=C1CCCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CCCC1 3296062 MXJZSDKTVXVZCU-QGZVFWFLSA-N 359.470 4.803 0 40 FJAB COc1ccc2nc(Nc3nc4ccc(NC(C)=O)cc4s3)sc2c1 4137728 WQYKAMXIXRAOBN-UHFFFAOYSA-N 370.459 4.617 0 40 FJAB CC1=C(/C=C\[C@H](O)CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)CCC1 5022135 IIIWMUPWTIFDSH-ZADCQDASSA-N 360.338 4.676 0 40 FJAB Cc1cccc(-n2c(C)nnc2SCc2ccc(Br)cc2)c1 5359523 ZPXKKOUMGFUKGZ-UHFFFAOYSA-N 374.307 4.939 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)C(Cl)(Cl)Cl 5740065 JBGXXRNVMZYHLX-UHFFFAOYSA-N 371.607 4.509 0 40 FJAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)o2)c1 5901290 GRFGDFKZHDTGEC-ZDUSSCGKSA-N 363.442 4.890 0 40 FJAB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)c1 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0 40 FJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1 20726280 IMNMMUNDJMGPGT-UHFFFAOYSA-N 365.776 4.501 0 40 FJAB CCn1c(SCc2ccccc2Cl)nc2c([nH]c3ccccc32)c1=O 22628031 YQMCGTHGKFLMLE-UHFFFAOYSA-N 369.877 4.843 0 40 FJAB O=C(CSc1nccn1-c1ccc(Br)cc1)c1ccccc1 26046905 BFJYHTRTYGDTEG-UHFFFAOYSA-N 373.275 4.610 0 40 FJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)[C@H](C)C(C)C)cc12 27182471 JYNAJQVCNLANPW-CQSZACIVSA-N 373.497 4.710 0 40 FJAB Cc1nc(S[C@@H](C)c2nc(C(C)C)no2)c2c3c(sc2n1)CCC3 27777622 ILDQYBWTLOTTLN-VIFPVBQESA-N 360.508 4.848 0 40 FJAB CCCOc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 28292547 UCXTUDHBUBBBRP-UHFFFAOYSA-N 364.420 4.857 0 40 FJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 29437820 XADNFIDRTDLKGF-UHFFFAOYSA-N 368.245 4.853 0 40 FJAB CCc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1 31420403 NYYPKMKIZNYZEV-UHFFFAOYSA-N 358.488 4.837 0 40 FJAB CCCCn1nnc(NCc2ccc(-c3cc(Cl)ccc3Cl)o2)n1 32617105 GABDVSDEVZHRCQ-UHFFFAOYSA-N 366.252 4.652 0 40 FJAB C[C@@H](Sc1nnc(NC(C)(C)C)s1)c1nnc(-c2ccccc2)o1 32841168 QXUIRVKRWNUEJX-SNVBAGLBSA-N 361.496 4.652 0 40 FJAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 36619732 MOWZGXSAZBZGBU-FQEVSTJZSA-N 357.519 4.818 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Br)cc2Cl)o1 40103533 DKJGXIDVGSMNHV-SECBINFHSA-N 357.635 4.887 0 40 FJAB C[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 44103136 QCDCKURNIJFADY-GFCCVEGCSA-N 357.841 4.571 0 40 FJAB COc1ccc2c(ccn2CC(=O)Nc2cccc3c2ccn3C(C)C)c1 70666519 DYYCBGSJIBJISC-UHFFFAOYSA-N 361.445 4.824 0 40 FJAB biogenic C[C@@H](NCc1ccc(Br)c(F)c1)c1nc2c(s1)CCCC2 97016237 VRGPSGDAKFDWQN-SNVBAGLBSA-N 369.303 4.774 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 102202294 BJNFVWSOSHFGSO-QFBILLFUSA-N 358.894 4.891 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219323620 MWUNGIBOJFYVHL-QZTJIDSGSA-N 373.880 4.916 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 219545152 FZFPASAEEWRSSN-GOSISDBHSA-N 373.452 4.940 0 40 FJAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222957078 NTUBZZYOHZABTP-KRWDZBQOSA-N 351.490 4.945 0 40 FJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222958833 GOSPDIXFCPGEHU-WOJBJXKFSA-N 368.550 4.771 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223245859 WELNNBRDERGTAO-HUUCEWRRSA-N 357.881 4.782 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)CCSCc1ccccc1 223705814 VZXSSXAQFVCIJC-UHFFFAOYSA-N 371.546 4.803 0 40 FJAB COc1cc(C)c(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C(C)C 225668632 WHHGXVVDTVWVNM-UHFFFAOYSA-N 366.461 4.506 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)c(C)c1 225711024 HSPGDONKZXSVIB-GOSISDBHSA-N 370.518 4.836 0 40 FJAB COc1ccc(Cc2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)cc1 257204153 ATFSSQYPAGCKIX-XMMPIXPASA-N 373.500 4.803 0 40 FJAB O=C(CSc1nc(O)c2ccsc2n1)c1ccc(Cl)cc1Cl 408597856 PJFDRONYEHADML-UHFFFAOYSA-N 371.270 4.679 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 408680631 OKMGRVMYHDIEFI-FQEVSTJZSA-N 369.461 4.748 0 40 FJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)c1C 408698179 LTZFAGLRSHJRCI-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1cccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)c1 408720911 AWMWENJQOIZCCH-UHFFFAOYSA-N 368.502 4.643 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)COc1c(C)cccc1C 409127434 PYYZMMRDXZDRBC-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB CNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 643879 JYCJZHLDEDYLSX-AWEZNQCLSA-N 370.518 4.511 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1C 646315 SEIPFFYDZGOFHJ-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB COC(=O)c1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1 1098261 DRNKWZRIBCNOMG-UHFFFAOYSA-N 356.381 4.876 0 40 FJAB COc1ccc(/C=C(/C(=O)N2CCc3ccccc3C2)c2ccccc2)cc1 1106967 GISAQHZBGSNCBP-JJIBRWJFSA-N 369.464 4.821 0 40 FJAB COc1ccc(OC)c(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 2204635 NXLDLJPJVSRIEL-HXUWFJFHSA-N 373.452 4.649 0 40 FJAB Clc1ccccc1Cn1c(-c2ccco2)nc2nc3ccccc3nc21 2251108 JHORKVQOSIAPGB-UHFFFAOYSA-N 360.804 4.941 0 40 FJAB CC(C)(C)c1cc(S(=O)(=O)Oc2ccccc2)cc(C(C)(C)C)c1O 2276078 VSICZKOGHPSSOI-UHFFFAOYSA-N 362.491 4.755 0 40 FJAB CCC[C@@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 2347333 TYBJYLIJUQBXHX-MRXNPFEDSA-N 372.266 4.597 0 40 FJAB CCC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 3011101 OHGHFRXDGKXVRT-JTQLQIEISA-N 364.487 4.628 0 40 FJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3cccc(C)c3)c12 4888802 IYABISGSDATDSS-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB CC1(C)C2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC12OCCO2 4900121 SLNJLFYFMODHHF-QYSHBZRDSA-N 358.522 4.898 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(OCC)c2)C1=O 6323943 JRWZFFCUYIWGAZ-VLURKWGBSA-N 363.479 4.709 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)Nc1nc(-c2ccccn2)cs1 6507671 VBVQVHVIVRDGCQ-UHFFFAOYSA-N 364.257 4.693 0 40 FJAB Cc1cccc(N2CCN(C(=O)c3ccccc3SC(C)C)CC2)c1C 7495657 RMMSOLLFGYBBLF-UHFFFAOYSA-N 368.546 4.766 0 40 FJAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1 7922226 ICOHHEXEQPZCMC-HNNXBMFYSA-N 353.491 4.545 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 11052302 NKHBRMJXMSVUAT-CYBMUJFWSA-N 357.837 4.664 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(C(F)(F)F)c1 11326603 NVOHHLAJONZKRG-UHFFFAOYSA-N 360.335 4.932 0 40 FJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1c(F)cccc1F 13021883 HVJOHAWSHMRMHZ-UHFFFAOYSA-N 369.367 4.561 0 40 FJAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3cccc(Cl)c3)=NN12 13593673 RUVPERIQUYACBW-IEBWSBKVSA-N 358.894 4.963 0 40 FJAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 17976240 MGGZNBYDMIZPGZ-ROUUACIJSA-N 355.821 4.812 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2Cc2cccc(Cl)c2)c1C 19558084 TWHMSVVCNMUREH-QGZVFWFLSA-N 356.857 4.672 0 40 FJAB CCOc1ccc(C(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=N)cc1 26507179 VFPOEDKWPXTSRQ-QFIPXVFZSA-N 370.452 4.850 0 40 FJAB Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27582664 NUZRNNKHLCXEJT-NRFANRHFSA-N 370.924 4.996 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)c2c(F)cccc2Cl)cn1 31773480 KJJIHUFAPLRWBD-UHFFFAOYSA-N 372.783 4.927 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N1CCC(c2nc3ccccc3o2)CC1 32193050 BTBJGHYAMTVVTD-UHFFFAOYSA-N 373.412 4.503 0 40 FJAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccncc3)ccc12 35326005 IJWZJLQUPXKDFS-UHFFFAOYSA-N 365.845 4.825 0 40 FJAB Cc1nc2c(-c3ccccc3)nc(SCc3ccccn3)nc2s1 35682693 WNKIULFFFRRSIP-UHFFFAOYSA-N 350.472 4.749 0 40 FJAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(Cl)c(Cl)c2)C1 40286487 ZYFCVAPSLKACGJ-LBPRGKRZSA-N 359.216 4.698 0 40 FJAB COc1cc(OC)c(NC(=O)N(C)Cc2ccc(Cl)cc2)cc1Cl 43413276 SNOIGSXOAVRGKB-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)no2)cc1OC 46086797 QEDAONYKGHQTJB-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)n1 46291276 BWQIXNWHCLFMKV-UHFFFAOYSA-N 361.420 4.652 0 40 FJAB FC(F)(F)c1cccc(NC(=S)Nc2ccc3c(c2)OCCCO3)c1 47808119 XEIYPBZSGGGOHK-UHFFFAOYSA-N 368.380 4.676 0 40 FJAB CCOCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 58052972 DTTLPWRXPRXYJY-UHFFFAOYSA-N 373.909 4.775 0 40 FJAB COCCOc1cccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 58061753 DHTKSMFJCJEZTH-LJQANCHMSA-N 374.506 4.826 0 40 FJAB CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215327 ZJEUZEFGBGBXOD-GOSISDBHSA-N 359.514 4.923 0 40 FJAB CC1=NN(c2ccc(C(=O)N[C@H](C)c3oc4ccccc4c3C)cc2)CC1 84068157 LYBYMMLFVSNARK-MRXNPFEDSA-N 361.445 4.818 0 40 FJAB O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCC[C@H]1C1CCCC1 84339084 LWCXEZSWSQOQNX-KRWDZBQOSA-N 358.873 4.712 0 40 FJAB CC(C)(C)Sc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 95467103 MLZJRFUIUQDMFS-SJORKVTESA-N 364.555 4.838 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2)n1 95475624 SXFZTTSLZMFYFA-UHFFFAOYSA-N 357.417 4.571 0 40 FJAB Clc1ccc(Cc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193840 IFGACVHCEJYDEV-UHFFFAOYSA-N 366.833 4.843 0 40 FJAB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)CCCC2 222956264 YZWVMCUUBMESOD-KRWDZBQOSA-N 359.469 4.975 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1cncc(-c2cccs2)c1 225666363 ISCISZPRZQXTOK-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CC(C)C)C3)c2)c1 257215476 CQGIWNDCOMUTIZ-QGZVFWFLSA-N 367.493 4.504 0 40 FJAB CCCNC(=S)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443679 YEVICWMZSIBFFF-UHFFFAOYSA-N 351.479 4.503 0 40 FJAB Cc1cccc(Oc2ccccc2NC(=O)NCCCCn2ccnc2)c1 615476854 DYVSOSRLLSECPL-UHFFFAOYSA-N 364.449 4.586 0 40 FJAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)C(C)(C)Oc1ccc(F)cc1 1518648540 ZJSUDCCBIZUPGU-KGLIPLIRSA-N 359.416 4.657 0 40 FJAB O=C1c2ccc(Br)cc2C(=O)N1c1cc(Cl)ccc1Cl 910511 MWANPYIDUHQYJR-UHFFFAOYSA-N 371.017 4.557 0 40 FJAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1C(C)C 1364260 SQOIDLSJOBXNNE-UHFFFAOYSA-N 366.918 4.504 0 40 FJAB CC(C)=C[C@H]1[C@@H](COCc2cc3c(cc2Br)OCO3)C1(C)C 1656191 GUGRQAIGZSOIMU-UONOGXRCSA-N 367.283 4.933 0 40 FJAB Cc1cc(SCC(=O)NCCC2=CCCCC2)nc2c(C)cccc12 3432288 GHXPTRDOUWVLJN-UHFFFAOYSA-N 354.519 4.950 0 40 FJAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@@H](C)C4)cc1 3893847 JXBSQRRWBJMEJW-CQSZACIVSA-N 369.486 4.921 0 40 FJAB COc1ccccc1-n1cnnc1SCCC12CC3CC(CC(C3)C1)C2 5894316 CYONCXSVMFMVFI-UHFFFAOYSA-N 369.534 4.975 0 40 FJAB Cc1ccc2[nH]c(SCCOc3cccc(Br)c3)nc2c1 6566483 HDORARYONSWXSZ-UHFFFAOYSA-N 363.280 4.805 0 40 FJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SCc1ccccc1 7684583 HKJKTOVOEHMJIQ-UHFFFAOYSA-N 363.438 4.960 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2ccccc2C)c2cccs2)cc1 7739888 MHCSARODVFSFHQ-NRFANRHFSA-N 351.471 4.650 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nccn2-c2cccc(C)c2)cc1 8403995 GLQPKQJKICEDGU-MRXNPFEDSA-N 365.502 4.862 0 40 FJAB COc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(OC)c1OC 8534521 HKSKVYJXYRDGHS-UBWJNLJSSA-N 359.510 4.551 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1Cl 8790853 DOJVKMDCVFQAGN-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCc2ccccc21 9062632 UJUMSPFHWPGVEZ-UHFFFAOYSA-N 368.908 4.531 0 40 FJAB CCC1=Nc2ccccc2N=C(NC(=O)C(C)C)[C@@H]1c1ccc(F)cc1 9095230 IPNIWERFYQFPNI-LJQANCHMSA-N 351.425 4.908 0 40 FJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N1CCC1 9740650 MCZSWPLRRXMRAI-VAWYXSNFSA-N 369.424 4.531 0 40 FJAB CCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCCC3)n2)cc1 10213584 YRQJAWUDSMDWAY-UHFFFAOYSA-N 374.492 4.830 0 40 FJAB Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c2cnn(C(C)C)c2n1 10968144 WOLTYXDJQOTPLD-IBGZPJMESA-N 368.456 4.587 0 40 FJAB COc1ccc(C2(NC(=O)c3c(C(C)C)noc3C)CCCCC2)cc1 12197859 HVNWSOBUXUKWPY-UHFFFAOYSA-N 356.466 4.704 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCc2sccc2C1 12216129 ZYQAWORLIZALSV-UHFFFAOYSA-N 358.463 4.518 0 40 FJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(Cl)c1 13680309 CTFLXXRLCHVPTN-UHFFFAOYSA-N 368.644 4.728 0 40 FJAB Cc1cc(C)cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 15554153 GYJFQJMFOVGBAJ-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB CCOc1cc2c(cc1OCC)[C@H](c1cc3ccccc3s1)NCC2 19848134 ZESUAQAWHBOJRE-OAQYLSRUSA-N 353.487 4.934 0 40 FJAB COc1ccc(OC)c(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 20447845 CEFOCKMCPCUMTH-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 20482451 RANKGAZPNXXJJI-DYESRHJHSA-N 355.478 4.675 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCCCC1 20495620 MZIXQPQVTLHCAZ-UHFFFAOYSA-N 350.821 4.849 0 40 FJAB CCOc1ccc(Br)cc1CNCCc1c[nH]c2ccccc12 22075943 ADQVTYKDJIFERY-UHFFFAOYSA-N 373.294 4.661 0 40 FJAB Cc1ccc(C(=O)[C@@H](Sc2nc(C)cc(N)n2)c2ccc(C)cc2)cc1 23106322 ILQMIEKFLPGDKD-FQEVSTJZSA-N 363.486 4.700 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1csc(Nc2ccccc2)n1 23136802 WAIWRRSOBZJUBC-UHFFFAOYSA-N 352.444 4.749 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3o2)C1 24695221 ZBWCCOKIZQAUAO-QGZVFWFLSA-N 373.456 4.648 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)s1 27344154 PJIPDNVPIFDOKD-AWEZNQCLSA-N 369.317 4.622 0 40 FJAB Cc1c(C(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)oc2ccccc12 28250957 XSLXUOVBWDKUDO-QGZVFWFLSA-N 367.420 4.702 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 28869860 OVXBRPKFSPTBLG-GFCCVEGCSA-N 372.881 4.553 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1Cl 30855055 YGLUQHXPPNQBJY-GOSISDBHSA-N 366.288 4.900 0 40 FJAB C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccccc1F 32794962 AIIKRECROMOBRF-GFCCVEGCSA-N 354.347 4.747 0 40 FJAB Cc1ccc(OCCn2c(CCC(=O)O)ccc2-c2cccs2)cc1 33580433 WBUBJXVKACYCFW-UHFFFAOYSA-N 355.459 4.621 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2Cl)c1 36358889 YDSDUBFSJKOLPL-OAHLLOKOSA-N 353.809 4.658 0 40 FJAB COc1cc(C(=O)Nc2ccccc2Cl)ccc1OCc1cscn1 36396891 CHRWRXANPAJAAF-UHFFFAOYSA-N 374.849 4.636 0 40 FJAB O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)CS1 36633777 HSSKSVPNLGENDD-MRXNPFEDSA-N 355.850 4.756 0 40 FJAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38856216 QNFDNAPVAVCKIE-FQEVSTJZSA-N 368.496 4.801 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39757392 WTMALVVDOYEQHP-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB COc1cc2ccccc2c(Br)c1C(=O)N1CCCC[C@H]1C 59843555 HXLBLQOXWIOHDY-GFCCVEGCSA-N 362.267 4.626 0 40 FJAB CN(CC1CC1)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 63505520 JGHJXBPVAGVJIB-UHFFFAOYSA-N 354.450 4.669 0 40 FJAB CC(C)CC(=O)Nc1cccc(CNCc2c(Cl)cccc2N(C)C)c1 95450148 DVFZNYGMBFMGRA-UHFFFAOYSA-N 373.928 4.680 0 40 FJAB ClC(Cl)(Cl)[C@@H]1Nc2ccccc2-c2nc(-c3ccccc3)nn21 97105504 IKQBAMNCCVUXIR-OAHLLOKOSA-N 365.651 4.906 0 40 FJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 106127213 FQBZBCPPRLDJTD-OZIGNCPNSA-N 373.500 4.789 0 40 FJAB CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc2ccccc2c1 177497273 VGYVTQNOMYVBCG-UHFFFAOYSA-N 356.429 4.932 0 40 FJAB O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 199422505 OYAYHZOIPMNWLI-UHFFFAOYSA-N 370.758 4.716 0 40 FJAB CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 219293841 YUEXWMSXBHTJML-INIZCTEOSA-N 359.897 4.980 0 40 FJAB CCOc1ccccc1CCCNC(=O)c1ccccc1SC(C)C 219654433 GXSPEWNPQPUHEC-UHFFFAOYSA-N 357.519 4.948 0 40 FJAB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 223015191 KWFFBXBPQRRBJP-GPVYEGESSA-N 363.457 4.575 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224198478 JTKOKFHJBCNBKH-KRWDZBQOSA-N 355.478 4.809 0 40 FJAB CCc1ccc(OCC(=O)NC(C)(C)CC(C)(C)C)c(Br)c1 224247341 CWWUUZKEOTYLRX-UHFFFAOYSA-N 370.331 4.721 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 224881854 GMFWFGLTRWWAJO-ZDUSSCGKSA-N 353.340 4.608 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224893676 SNXFSRLICBQPPY-QGZVFWFLSA-N 367.367 4.998 0 40 FJAB CCOc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225107334 RXRHGCLAMPIQAN-JOCHJYFZSA-N 362.425 4.827 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 225175432 ZKIVVXJZGYAHGS-UHFFFAOYSA-N 361.854 4.941 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225188728 GYJGXKIZLMKCLF-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB COc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225295652 AVLCRLHGOLZUTF-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB Cc1ccc(NC(=S)NCCCSCc2ccccc2Cl)nc1 225608201 SQZBVRMVJROKIW-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@H]2c2cnccn2)cc1 257272305 NBXFIQCUGQEBNC-QFIPXVFZSA-N 373.456 4.569 0 40 FJAB COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)cc2Cl)c(F)c1F 408620008 GKRXABIWYVKONB-UHFFFAOYSA-N 368.113 4.811 0 40 FJAB Cc1cc(C)cc(CSCC(=O)NCCSC2CCCCC2)c1 409026323 LXLSFLWMCBGIBT-UHFFFAOYSA-N 351.581 4.719 0 40 FJAB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)c2ccccc21 409118865 OSRIXQZYAZRSTD-JXAWBTAJSA-N 351.446 4.781 0 40 FJAB Cc1ccc2c(c1)CN(C(=O)Cc1ccc(-n3cccc3)cc1)C(C)(C)C2 1583680264 XMJXGCMVPCVVHC-UHFFFAOYSA-N 358.485 4.692 0 40 FJAB Fc1cccc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)c1 633137 POARTCSDLIDTEQ-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB CC(C)Oc1ccc([C@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 822598 CGNFTBAYNOZJGF-PKTZIBPZSA-N 353.506 4.777 0 40 FJAB O=C(Oc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1O 846606 IMYHWNKNOVNEAA-UHFFFAOYSA-N 367.788 4.517 0 40 FJAB Cc1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 1368567 XHPYBPZCNXXYJY-VXKWHMMOSA-N 363.505 4.702 0 40 FJAB COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3O[C@@H]2c2ccccc2)cc1 1611242 RQEMHCIRNVNLNO-FYYLOGMGSA-N 360.409 4.804 0 40 FJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)nc(N)nc1-c1cccc(Cl)c1 1622548 NBLNWBPWBBLZIK-UHFFFAOYSA-N 373.243 4.593 0 40 FJAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)O)c(C)c32)c1-c1ccccc1 2123204 YNPVAIAZJYNCBO-UHFFFAOYSA-N 362.381 4.759 0 40 FJAB biogenic CCCn1nc(NC(=O)c2ccccc2C)c2cc3cccc(C)c3nc21 2432625 ATPZXLUOEGJSFC-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 2734788 NJPMBYPSNSRTHV-CUXKMMBLSA-N 369.461 4.878 0 40 FJAB OCc1ccccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 3504215 LDOINMHMDSTPSU-UHFFFAOYSA-N 350.443 4.780 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4033532 WCEDATJMLSSVBI-SFHVURJKSA-N 361.489 4.974 0 40 FJAB CCCC[C@H](CC)C(=O)N1C[C@@H](C)N(C(=O)[C@@H](CC)CCCC)C[C@@H]1C 4614270 GQHUPNLGVONPND-YRPNKDGESA-N 366.590 4.867 0 40 FJAB CC12CC3(C)CC(C)(C1)CC(C(=O)NC(=S)Nc1ccccc1)(C2)C3 4645909 PTDBULMRHVOSEF-UHFFFAOYSA-N 356.535 4.886 0 40 FJAB CC(C)=C[C@H]1[C@@H](C(=O)O[C@H](C)c2cc3c(cc2Cl)OCO3)C1(C)C 4748220 LQIDMCQVHFVMEI-ZUCKAHLUSA-N 350.842 4.911 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1OC 5549327 XDYGCVRUKXMTDY-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1 5930449 RMPVOCKYJVVTLL-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB Cc1nc2c(cc(OCC(=O)Nc3ccc(F)cc3)c3ccsc32)s1 6590270 NEZXGEHZFQBUQE-UHFFFAOYSA-N 372.446 4.976 0 40 FJAB C[C@H](Sc1nnc(Cc2ccccc2)o1)c1nnc(-c2cccs2)o1 6843124 IJUWZOBAVSKCNZ-NSHDSACASA-N 370.459 4.625 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccccc1Cl 7350388 RXQJBHADUKINLB-CQSZACIVSA-N 358.869 4.612 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)o1 8776860 VWLBXZOUSKIPSN-WCQYABFASA-N 367.276 4.780 0 40 FJAB CCc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 10288447 RMIZRSZYLXEYHU-CQSZACIVSA-N 368.424 4.787 0 40 FJAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 12618514 UBLOLLTVKNPLLN-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccsc2)nc1C 12783781 OSUSMUIFBRDHMN-LLVKDONJSA-N 358.488 4.680 0 40 FJAB COc1ccc([C@@H](NC(=O)Cc2coc3cc(C)c(C)cc23)C2CC2)cc1 12945359 XXGTWWYSSICZCB-QHCPKHFHSA-N 363.457 4.868 0 40 FJAB CC(=O)Nc1ccc(SCc2nnc(-c3ccccc3Cl)o2)cc1 12988476 TXEUHWKKRLCZCI-UHFFFAOYSA-N 359.838 4.641 0 40 FJAB O=C(O)c1cc(Cl)c(OCc2cc(-c3ccccc3)no2)c(Cl)c1 13043892 APCTWAOVJYGBBS-UHFFFAOYSA-N 364.184 4.926 0 40 FJAB CC(C)COc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 13071472 YFZZMBIOSDQMHC-UHFFFAOYSA-N 361.869 4.526 0 40 FJAB CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 15124027 YWHREMCKAAIOFG-UHFFFAOYSA-N 370.758 4.612 0 40 FJAB O=c1nc(SCc2ccc(F)cc2)c2c(n1C1CCCCC1)CCC2 15840344 ZHOWGEAJUJBTEA-UHFFFAOYSA-N 358.482 4.669 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577038 CXXBATPMOZNUQD-UHFFFAOYSA-N 356.441 4.857 0 40 FJAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2ccccc12 23247757 BMCBLHUPAOEDFM-HSZRJFAPSA-N 359.517 4.721 0 40 FJAB CCCOc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 27992333 JHMOWZADTKNTJS-UHFFFAOYSA-N 364.420 4.857 0 40 FJAB O=C(CCCc1cccs1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797438 OZDGQJDWPPISBQ-GOSISDBHSA-N 371.502 4.596 0 40 FJAB CC(=O)Nc1ccc(F)c(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 32770454 RTFFUUKKZSDKPF-UHFFFAOYSA-N 359.788 4.705 0 40 FJAB Cc1nc(C=O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 34446735 ROIOCDBVMNZCJG-UHFFFAOYSA-N 352.437 4.844 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(N(C)C(C)C)c(F)c2)c1 40152956 VWKZWWGHPJUCGP-MRXNPFEDSA-N 357.473 4.726 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1C 44903728 ZHCHLJHXTKZJKM-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)c2)n1 45020573 IBCWQIMKCPQTBK-JKSUJKDBSA-N 363.383 4.759 0 40 FJAB S=C(NCc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 57786830 WBIFVZIGFFBFMB-CQSZACIVSA-N 359.545 4.569 0 40 FJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(F)cc(N2CCCC2)c1 58171427 DOJGYMQBHNYJBG-UHFFFAOYSA-N 367.399 4.674 0 40 FJAB CC(C)Cn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67258746 XMPAPURVANFHPJ-UHFFFAOYSA-N 360.429 4.623 0 40 FJAB Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)c12 72304648 YYUXANNKVLKDDP-SUMWQHHRSA-N 367.449 4.861 0 40 FJAB Fc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 72348942 FPPQYDHVIICLTM-LJQANCHMSA-N 361.464 4.586 0 40 FJAB COc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)c1 72358353 IHCWGRSJKDNONN-FQEVSTJZSA-N 359.473 4.532 0 40 FJAB CO[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1C 96105203 XJASEEYDLFVQEF-QFIPXVFZSA-N 374.484 4.771 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(C)n1 97040383 CGZSTVQFHCCEIW-UHFFFAOYSA-N 369.852 4.887 0 40 FJAB Cc1ccc(C)c(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219450382 AVQPNHLSBXMCGD-UHFFFAOYSA-N 358.441 4.836 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)NCCCc1ccccc1Cl 222796520 ANQCJNBGLFKMTE-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(F)cc1 223245145 AEHKIBCMUQDEEN-NSHDSACASA-N 355.837 4.729 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224010249 PLMYXYMDFABKLN-GOSISDBHSA-N 369.505 4.563 0 40 FJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224419843 TVMICRDFVJONST-IAGOWNOFSA-N 369.490 4.768 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)s1 224419986 YUYQFQZICXFDLM-QZTJIDSGSA-N 369.490 4.768 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2O1 224677054 BLJVTAYJCQFQPJ-KXBFYZLASA-N 371.452 4.792 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)SCc3ccccc3)s2)cc1 224854770 DHUKEZYDBIUWRU-AWEZNQCLSA-N 369.515 4.774 0 40 FJAB CCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224905989 LPNVUNIXKBVHST-UHFFFAOYSA-N 350.418 4.547 0 40 FJAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Oc1ccc2ccccc2c1 225066736 XCCYFTXYZJEIFT-GOSISDBHSA-N 371.230 4.677 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 225150570 QJXOCCDZQKXTAR-HZPDHXFCSA-N 355.478 4.637 0 40 FJAB CCN(CC)[P@]1(=O)C=C(C)[C@H]2[C@H]3C(C)=C[C@H]([C@@H]21)[P@@]3(=O)N(CC)CC 301054476 SUVFJOAJVBACKK-BQKYNENUSA-N 370.414 4.839 0 40 FJAB CCOc1cc(CNc2ccccc2Cl)cc(Br)c1O 409181742 DAMYACBFHUNROK-UHFFFAOYSA-N 356.647 4.819 0 40 FJAB COc1ccc(CCC(=O)NCCc2ccc(-c3ccsc3)s2)cc1 575414089 RXBNBIDGQWVSHM-UHFFFAOYSA-N 371.527 4.777 0 40 FJAB CCO[P@](=O)(O)CCCCCCCCCC[P@@](=O)(O)OCC 627276249 QOZVZPIWXXJYOK-UHFFFAOYSA-N 358.352 4.551 0 40 FJAB COc1ccc(-n2c(C)c(C(=O)O)c3cc(OC)c4ccccc4c32)cc1 1000342 CVFZGYCMLWPZBE-UHFFFAOYSA-N 361.397 4.808 0 40 FJAB O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)cc1 1396568 UXDUHFXHYKVDAW-UHFFFAOYSA-N 368.770 4.984 0 40 FJAB Cn1c(NC(=O)c2ccccc2)c(-c2cccs2)c(=O)c2ccccc21 2212816 HSPCCPQZARVXNF-UHFFFAOYSA-N 360.438 4.519 0 40 FJAB CCCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2278087 YHOMBCIKXYRFRC-UHFFFAOYSA-N 356.495 4.693 0 40 FJAB C[C@H](CCN1CCN(CC[C@H](C)CC(C)(C)C)S1(=O)=O)CC(C)(C)C 4410072 HDHMBRCOASJWNT-HDICACEKSA-N 374.635 4.774 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccccc1Cl 5002050 GJESZYDYWDBDSQ-CQSZACIVSA-N 354.837 4.746 0 40 FJAB CC(C)OC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 5471184 LEZCKMNCLVTWKU-UHFFFAOYSA-N 369.461 4.567 0 40 FJAB CC(C)(C)c1ccc(C2=Nc3ccc(F)cc3C(c3cccnc3)=NN2)cc1 6075414 DRXKOSQNPVYXCW-UHFFFAOYSA-N 372.447 4.952 0 40 FJAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(C2CCCCC2)cc1 6822759 XJGAIXPNARIBRM-UHFFFAOYSA-N 364.489 4.823 0 40 FJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1 7783264 XEUIWXLWPYWMSI-UHFFFAOYSA-N 355.488 4.624 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)NCCCOC1CCCCC1 7844148 LKFJJCCZAKPBOZ-UHFFFAOYSA-N 364.536 4.649 0 40 FJAB CC(=O)c1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 7972432 QGOUWHOGKWFUTH-UHFFFAOYSA-N 360.413 4.732 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 7987886 ZFVBKRVKESSMNV-AWEZNQCLSA-N 369.848 4.758 0 40 FJAB O=C(Nc1cccc(Cl)c1F)c1cc(C2CC2)nn1-c1ccccc1 8280216 VBLSEAOWDHHCOK-UHFFFAOYSA-N 355.800 4.795 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccco2)ccc1Cl 9204683 OIJBPGMHXGTBPW-OAHLLOKOSA-N 373.836 4.831 0 40 FJAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)CC(C)(C)C4)cc1 9290218 CJKIQPDFFCZGGG-UHFFFAOYSA-N 363.461 4.683 0 40 FJAB C[C@H](Sc1nc(C2CC2)nc2ccccc12)c1nc2ccccc2c(=O)[nH]1 9836493 JOXBSCNFABDBTR-LBPRGKRZSA-N 374.469 4.597 0 40 FJAB COc1ccc(CN2CCC[C@H](c3cc4ccccc4cn3)C2)cc1OC 12222636 SQZKYCVQJIPWMI-FQEVSTJZSA-N 362.473 4.632 0 40 FJAB COc1cc(/C=C/C(=O)Nc2cccc3cccnc23)ccc1OC(C)C 12593705 LOWWRTAFWRQHRD-ZRDIBKRKSA-N 362.429 4.683 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccccc3OC)ccc2c1 12942459 QACPLTXPJYTSSY-HZPDHXFCSA-N 363.457 4.838 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)c1cccs1 12982249 JOVVCLVFLKNGKZ-AUUYWEPGSA-N 355.434 4.560 0 40 FJAB C[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 13040188 ZCGIWGLKICHLQU-CABCVRRESA-N 374.937 4.908 0 40 FJAB Fc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1Cl 13656121 UFDFDYQNWVMZDV-UHFFFAOYSA-N 365.220 4.966 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(Cl)c1Cl 14170187 GAOXKZLAUHNWKT-OAHLLOKOSA-N 367.276 4.543 0 40 FJAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccccc1Cc1ccccc1 14237065 RJCASTORCBNQCB-UHFFFAOYSA-N 365.816 4.912 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)/C=C/c3cccc(F)c3)cc2)cs1 14673386 MHSPBADRNNFUBG-JXMROGBWSA-N 366.461 4.630 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 14796035 MTGXTSKXMMRIKZ-UHFFFAOYSA-N 365.260 4.776 0 40 FJAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2nsnc2c1 21595311 ZBOOMWLHKBISIG-UHFFFAOYSA-N 372.881 4.587 0 40 FJAB Cc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 25848345 ADIGWCDZIOLKIA-UHFFFAOYSA-N 360.461 4.541 0 40 FJAB C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1C(F)(F)F 32777518 HLSMGXMCWVGYPX-LBPRGKRZSA-N 370.802 4.990 0 40 FJAB Cc1ccc(OC(=O)c2nc(-c3ccccc3)oc2C)c2c1[C@H](C)CC2=O 40034381 NFVMNZOZALTEQC-CYBMUJFWSA-N 361.397 4.868 0 40 FJAB Cc1cc([C@H](C)NC(=O)Nc2ccc(N3CCCC3)c(F)c2)c(C)s1 40152311 PCQNAERBCCOSFR-ZDUSSCGKSA-N 361.486 4.987 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(C(F)(F)F)cc1 44608013 AGKAKKFWVXEJRP-OAHLLOKOSA-N 358.404 4.907 0 40 FJAB Cc1ccc(-c2nnc(COC(=O)c3cc4c(F)cccc4s3)o2)cc1 46852639 KTPSEMQHXLEFAX-UHFFFAOYSA-N 368.389 4.756 0 40 FJAB Cc1nc(SCc2csc(-c3cnn(C)c3)n2)n(C2CCCC2)c1C 53578138 ZNZQQQRITBAVBT-UHFFFAOYSA-N 373.551 4.764 0 40 FJAB CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215848 PQJPSDYAWCJUQY-GOSISDBHSA-N 353.466 4.922 0 40 FJAB O=C(/C=C/c1ccccc1)N1CCC(COCc2ccc(Cl)cc2)CC1 75156575 KTIUCBAZTDSZKP-DHZHZOJOSA-N 369.892 4.809 0 40 FJAB Clc1ccccc1-c1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 80346416 IHMHNOLIUCCVPV-UHFFFAOYSA-N 370.909 4.974 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84008345 OWNHVBDBQHGVFE-GJZGRUSLSA-N 365.399 4.842 0 40 FJAB Fc1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)c(Cl)c1 89647199 WDVZUCBHHDBLRD-NSHDSACASA-N 351.790 4.504 0 40 FJAB CN(C)Cc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1 95957733 WMSHFQJRASKGHC-UHFFFAOYSA-N 362.458 4.607 0 40 FJAB Cc1ccc(-c2nc3ccc(C)cn3c2C(=O)NCc2ccc(F)cc2)cc1 96746553 YMPXZCCCIRNZDL-UHFFFAOYSA-N 373.431 4.687 0 40 FJAB COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 104234933 ZANBINYQLPJHJL-KUHUBIRLSA-N 358.869 4.513 0 40 FJAB C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104751018 VIAOOBZFTHUCMZ-DRMAHVMPSA-N 352.503 4.787 0 40 FJAB O=C(Nc1c(F)cccc1F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 106592279 UKIBNTLPGCFULU-UHFFFAOYSA-N 368.170 4.710 0 40 FJAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(OCCSc2ccccc2)cc1 113948916 LVASPPKCRNMDQU-BLIXFSHQSA-N 367.514 4.776 0 40 FJAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1OC(C)C 152810316 BYGLRALMIGIYDM-UHFFFAOYSA-N 371.452 4.608 0 40 FJAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 222641872 JMUUYSKFSJWVMY-MRXNPFEDSA-N 367.489 4.565 0 40 FJAB COc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1Cl 223115688 REVSXSUHSJTJPY-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1 224102408 JTIFAUJBWYMDCC-AWEZNQCLSA-N 373.374 4.942 0 40 FJAB CCCCOCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 224434256 JZWFKHFGQUGPNM-UHFFFAOYSA-N 361.869 4.595 0 40 FJAB O=C(CCc1cccc2ccccc12)NCc1cccc(CN2CCCC2)c1 224635435 LICQQEJBHWQMLA-UHFFFAOYSA-N 372.512 4.685 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)NC3CCCCCCC3)o2)c1 224851043 MJHVCCZTXNRQLR-UHFFFAOYSA-N 356.466 4.512 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224978435 HBTFPJGSUVFRDN-UHFFFAOYSA-N 352.478 4.565 0 40 FJAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1O 408604836 FKFGRSYPJDWZDX-UHFFFAOYSA-N 374.637 4.958 0 40 FJAB Cc1ccccc1NC(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 936596 DHKHUMVXSHDOJM-BJKOFHAPSA-N 371.484 4.906 0 40 FJAB biogenic Nc1c(Br)cc2oc(-c3ccccc3)nc2c1Br 2229148 YXHPZBKRNNWMLV-UHFFFAOYSA-N 368.028 4.602 0 40 FJAB aggregator Cc1sc2nc(SCc3c(F)cccc3Cl)n(C)c(=O)c2c1C 2374750 NBJCMLRDWFBBCH-UHFFFAOYSA-N 368.886 4.697 0 40 FJAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4703088 VEAMIMBQXGFZFN-IBGZPJMESA-N 364.489 4.638 0 40 FJAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccccc4Cl)nc3c12 6719438 KQEFDJCJVLVQDK-UHFFFAOYSA-N 353.857 4.672 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 7668689 PXJYYKQULZKYAX-MRXNPFEDSA-N 368.477 4.514 0 40 FJAB COc1ccccc1OCCn1c(Cc2cccs2)nc2ccccc21 8787051 DRCMDGHMPIRXNC-UHFFFAOYSA-N 364.470 4.776 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 9063018 XOYPQGHIEMAHBO-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB CCCN1C(=O)CCc2cc(NC(=O)c3c(C)cc(C)cc3C)ccc21 9107246 CVUYETJBLKRQCE-UHFFFAOYSA-N 350.462 4.553 0 40 FJAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1Nc1cccc(C(F)(F)F)c1 9246667 YKBIUBOPEBBKAY-QGZVFWFLSA-N 352.400 4.956 0 40 FJAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccccc2)cc1 9281292 WXMCZARBMPSPOA-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB Fc1ccccc1-c1nnc(SC/C=C/Cl)n1Cc1ccccc1 9331223 QZFNOCXCLNPIQM-IZZDOVSWSA-N 359.857 4.977 0 40 FJAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1nc2ccccc2s1 10859765 MNTOUXAUGQVMOQ-UHFFFAOYSA-N 352.390 4.649 0 40 FJAB O=C(OCc1coc(-c2ccccc2)n1)c1ccccc1NCc1ccco1 12539730 NRIXKVXRXJVOIO-UHFFFAOYSA-N 374.396 4.904 0 40 FJAB C[C@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)C1 13562659 KINUPNAIOFYFBF-GASCZTMLSA-N 364.468 4.506 0 40 FJAB Cc1cc2occ(CC(=O)Nc3nc(-c4ccccn4)cs3)c2cc1C 14688882 SWKHGJFYQRHQAH-UHFFFAOYSA-N 363.442 4.749 0 40 FJAB CCCOc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832087 JPQPPYWSEYYRQP-UHFFFAOYSA-N 364.445 4.636 0 40 FJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3Cc3cnn(C)c3C)c2)c1 19690927 QWDCITLXTJCYGZ-XMMPIXPASA-N 374.532 4.668 0 40 FJAB O=C(NCc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 20040399 SDQLWOVEDMQQOV-UHFFFAOYSA-N 363.482 4.788 0 40 FJAB CCOc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 20042846 RCEGAIOLQALXDZ-KRWDZBQOSA-N 352.478 4.570 0 40 FJAB C[C@H]1[C@@H](c2ccccc2)O[C@@H](c2ccccc2OC(=O)c2ccccc2)N1C 20111479 WESAJBQBYCQVNO-RTFZILSDSA-N 373.452 4.996 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(OC)cc1 22532619 ISIWXWQTXJPOMB-IIBYNOLFSA-N 363.457 4.883 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccco3)on2)cc1 26556377 PJZIQCUASXKPIU-SFHVURJKSA-N 366.417 4.701 0 40 FJAB CC(C)COc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 27664095 NBAUJQMCBDOORN-UHFFFAOYSA-N 371.824 4.677 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C 32585752 LATKITHVRHDKOJ-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB COc1ccc(NC(=O)CCC2CCCC2)cc1OCc1cccnc1 32832188 NFBRBLOQCPMFHQ-UHFFFAOYSA-N 354.450 4.578 0 40 FJAB COc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)cc1OC 32962359 AAEQXVNHFBXHPZ-UHFFFAOYSA-N 367.470 4.705 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1nc(-c2ccco2)cs1 38488791 ZHMYSFJRKJZJGJ-UHFFFAOYSA-N 373.484 4.744 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C)c(C)c1 38500999 LFQMQTZZVDNTAD-UHFFFAOYSA-N 367.424 4.669 0 40 FJAB O=C(NCc1ccc(OCc2cccnc2)cc1)Nc1cccc(Cl)c1 40105485 QFGSGIGLVGPHRX-UHFFFAOYSA-N 367.836 4.636 0 40 FJAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 40113089 IHYPTMKEMUVJIL-ZDUSSCGKSA-N 371.893 4.549 0 40 FJAB O=C(Nc1nnc(C2CC2)s1)N[C@H](c1ccc(F)cc1)C1CCCC1 40146018 LOKOKZWBHIKORP-HNNXBMFYSA-N 360.458 4.608 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 41091192 OJCJEHNFEDRWRN-UHFFFAOYSA-N 369.461 4.525 0 40 FJAB CCC(CC)c1nnc(NC(=O)N2CCC[C@H]2c2ccsc2)s1 45982225 RDTLJMRRWXQLNN-ZDUSSCGKSA-N 350.513 4.872 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ncccn2)cc1 48202721 JHJRVFOIOMUPBU-UHFFFAOYSA-N 374.227 4.757 0 40 FJAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 57304382 CUPUUZIAFXHUSI-KRWDZBQOSA-N 367.276 4.895 0 40 FJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccs1 58133935 KYEQHJROZVQFLU-AWEZNQCLSA-N 363.280 4.598 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)CC[C@@H]3CCCO3)s2)c(C)c1 60338825 ODTRANUSEBYZFJ-RDJZCZTQSA-N 372.534 4.813 0 40 FJAB CCN(C)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1 60367359 ALEPRXYCUNBNQM-UHFFFAOYSA-N 356.514 4.644 0 40 FJAB O=C(NCc1cc(-c2ccccc2)no1)c1ccc(-c2ccccc2F)o1 71812682 KWKLSGKXEFXMHB-UHFFFAOYSA-N 362.360 4.671 0 40 FJAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccccc3Cl)C2)n1 72369931 WIHWMIWOOCZBEQ-MRXNPFEDSA-N 353.853 4.688 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)c(C)c1 72427499 YWPYJOXTBJNMDE-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB CC12CC(O)(Cc3ccccc3)CC1(C)CC(O)(Cc1ccccc1)C2 96509989 NLUYQYOWHSCIHV-UHFFFAOYSA-N 350.502 4.534 0 40 FJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCC1 100424282 AHSYATVYHAXTJO-OALUTQOASA-N 371.525 4.535 0 40 FJAB Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)Nc5nccs5)(C4)C2)C3)cc1 100846219 KRTGTHXJEXMIIB-RKAKKKFESA-N 367.518 4.864 0 40 FJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 103718840 BQSNOZVKQQKXBK-MRXNPFEDSA-N 370.880 4.763 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 107972118 CAWFSCUMFSJEIN-UHFFFAOYSA-N 372.896 4.965 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1Cl 219053422 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CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11613722 FRFMLBWRRSSBBX-UHFFFAOYSA-N 367.898 4.971 0 40 FJAB Fc1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1 13984979 MBUDURANNXQETI-UHFFFAOYSA-N 370.434 4.687 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 14256099 WJVGSONHWUWNRW-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc(C)c1Cl 14396985 ZUXNCPBDATWCBQ-DLBZAZTESA-N 359.897 4.862 0 40 FJAB COc1ccc(CN(C)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 16182236 VSAZDWKCUPWUQM-UHFFFAOYSA-N 365.404 4.899 0 40 FJAB COc1ccccc1-n1c(/C=C\c2ccccc2C)nc2ccccc2c1=O 17118336 YQCLROGRWOHZPQ-NXVVXOECSA-N 368.436 4.873 0 40 FJAB Cc1ccc(C)c(Sc2ncccc2C(=O)NN2[C@@H](C)CCC[C@H]2C)c1 18120532 FBNQRLFZMXMLRF-CALCHBBNSA-N 369.534 4.757 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)NCCOc1ccc(F)cc1 22479927 WRDNBNVUXNZCQR-UHFFFAOYSA-N 363.432 4.543 0 40 FJAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3cnc4ccccc4c3)c2C)cc1 25533100 LDSFATUWBYTJGZ-UHFFFAOYSA-N 370.456 4.657 0 40 FJAB Cc1c(C(=O)Nc2nonc2-c2ccc(F)cc2)oc2ccc(Cl)cc12 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O=C(c1cc(Cl)ccc1Cl)N1CCS[C@@H](c2ccco2)CC1 211147515 RFSZRWOJHNEQCO-OAHLLOKOSA-N 356.274 4.907 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 219287931 PBHPOQCVNQVIJB-QGZVFWFLSA-N 359.425 4.632 0 40 FJAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)c2ccccc12 222611733 ONRGXJFLHCYDJH-OAHLLOKOSA-N 373.408 4.689 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2F)cc1 222835444 GLPPSGSFRSWSBG-UHFFFAOYSA-N 363.860 4.558 0 40 FJAB Cc1ccc(CC(=O)NCCSCc2c(F)cccc2Cl)c(C)c1 223048461 XSODBHWDRPCRFG-UHFFFAOYSA-N 365.901 4.688 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)NC(c1ccccc1)c1ccccc1 224318802 MZCNKSKREPJNRT-UHFFFAOYSA-N 353.824 4.927 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COC(C)C)c2)cc1 224717596 IMGVBNKFLRDYAR-UHFFFAOYSA-N 357.450 4.661 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H](C)c1ccccc1 225134445 ZAOLJFIOPAQYFF-VGOFRKELSA-N 351.490 4.643 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Cl 225172832 DGNOMUREZGGHKE-UHFFFAOYSA-N 352.821 4.587 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)CCc2c(Cl)cccc2Cl)c1 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374.506 4.761 0 40 FJAB Cc1ccc(N2C(=S)N(c3ccccc3)C(=O)/C2=C\c2ccco2)cc1 1440425 VXQCTOYYRUMAAP-XMHGGMMESA-N 360.438 4.767 0 40 FJAB CCOc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2270706 YFXATNNSTSDOCH-UHFFFAOYSA-N 371.506 4.688 0 40 FJAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccco1 2388018 XSONRWRTGTWPGH-UHFFFAOYSA-N 363.442 4.686 0 40 FJAB CCN(CC)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 2452944 GLBKZNWAPGVTEX-UHFFFAOYSA-N 355.551 4.890 0 40 FJAB O=C(NC1CC1)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2759583 BGQKIGYYFFABAI-UHFFFAOYSA-N 367.246 4.557 0 40 FJAB Cc1cc(N2C(=O)C(F)(F)[C@@H]2c2cccc(F)c2)ccc1Br 3231203 ONUHYLDWSHCAOO-AWEZNQCLSA-N 370.168 4.620 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)C2CCCCC2)CSC3)c(C)c1 3893237 LHGBAABONLLRES-UHFFFAOYSA-N 355.507 4.755 0 40 FJAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3)C(=O)O2)cc1 4696526 TWNAWAZSZNDTAY-HKWRFOASSA-N 365.429 4.609 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 4854420 ZDBQQPFMEFCTFY-FQEVSTJZSA-N 367.399 4.712 0 40 FJAB COCCN(Cc1cc2cccc(C)c2nc1Cl)C(=O)C1CCCCC1 4880313 QHELQOAUPHLAAM-UHFFFAOYSA-N 374.912 4.752 0 40 FJAB COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 5498105 UGZPHTYQQNJTCY-UHFFFAOYSA-N 360.413 4.656 0 40 FJAB Cc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)c(C)c1 5793624 LYKVRBDKGCRAJF-UHFFFAOYSA-N 356.422 4.937 0 40 FJAB COc1cccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 6258383 KRRJNQASPMEASR-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)cc1 6353099 HNLNBKLKVBMYDV-UHFFFAOYSA-N 364.445 4.517 0 40 FJAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccc(-c2ccccc2)cc1 8074643 HJKNZCFCDXEPFY-MRXNPFEDSA-N 369.420 4.951 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)s1 8134825 HQYKBJHKSYNUHP-UHFFFAOYSA-N 367.455 4.579 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)c2sccc2-c2ccccc2)c1 8406185 KJNHIGXVQRSIOF-UHFFFAOYSA-N 351.427 4.762 0 40 FJAB COc1ccc2nc(-c3ccccc3)c(CN3CCCCCC3)c(O)c2c1 8572518 DZIMABNASFLRQN-UHFFFAOYSA-N 362.473 4.992 0 40 FJAB COC(=O)c1c(C(=O)CSCc2ccc(C)cc2)c(C)n(C(C)C)c1C 9517107 KFATULVIYYWLHE-UHFFFAOYSA-N 373.518 4.897 0 40 FJAB Cc1cc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccoc2C)on1 12251504 KHPCPZXDQJAXCZ-UHFFFAOYSA-N 350.378 4.522 0 40 FJAB CCOc1ccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1OC 12651567 YXCBDSJCAAJESZ-LBPRGKRZSA-N 369.490 4.967 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1 13788515 IIJFRTLLXGGKID-SNVBAGLBSA-N 353.260 4.636 0 40 FJAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1Cl 15656649 IYRVGRXSYJHJRU-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB COc1cccc(CNCCc2ccccc2F)c1OCc1ccccc1 22074440 TXIUUVBFAUQGJA-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)/C=C/c3ccccc3)n2c1 26963079 SDESNKOSVANQLJ-FYWRMAATSA-N 353.425 4.962 0 40 FJAB O=C(c1ccc(F)c(F)c1F)N(Cc1ccccc1)Cc1ccccc1 28210623 SZKRUVLUANHOMR-UHFFFAOYSA-N 355.359 4.947 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(F)cc2F)o1 28228128 HZHREPYKTUUSDL-ZDUSSCGKSA-N 369.367 4.728 0 40 FJAB CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 29045599 WECGLUPZRHILCT-IHNKIBRCSA-N 354.531 4.696 0 40 FJAB CN(C(=O)CSCc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 31423473 BUXRZUMDUTWBFA-UHFFFAOYSA-N 372.877 4.891 0 40 FJAB COc1ccc(NC(=O)c2cccc(C)c2C)cc1OCc1cccnc1 32833908 CVENTXONPLLWLK-UHFFFAOYSA-N 362.429 4.538 0 40 FJAB Cc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)c(C)n1-c1cccnc1 32969128 UCWFGSGHGLYVTJ-QFIPXVFZSA-N 359.473 4.639 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 35290367 WFNRVASIUHUADZ-UHFFFAOYSA-N 354.841 4.628 0 40 FJAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38859335 PCUPHPKLQRMQLM-KGLIPLIRSA-N 357.325 4.510 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1Br 44842927 DLNULNYFOIFVMK-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C(C)C)c(C)c1 48333944 QQGDULOYNYVABD-UHFFFAOYSA-N 366.383 4.695 0 40 FJAB CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 67295351 YFYSFHXYNNHBJW-BZZOAKBMSA-N 372.424 4.751 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)sc1C 79495628 OSJFMFWCJGFDKG-UHFFFAOYSA-N 365.414 4.754 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc(CC)no3)cc2)cc1 96346770 XSLPQOLEXCAISF-UHFFFAOYSA-N 365.433 4.730 0 40 FJAB CO[C@@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccc(C)s1 96385919 BSQLVFASBCPFKF-KRWDZBQOSA-N 357.500 4.903 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 218739682 FSGQBSMKMGPWEQ-UHFFFAOYSA-N 365.429 4.799 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1F)CC(C)(C)O2 222711462 FWOQDQDTUZMEDB-SFHVURJKSA-N 373.493 4.786 0 40 FJAB C[C@H]1CCCCN1c1ccc(NC(=S)N[C@H](C)c2ccccc2)cn1 223957702 MHCLYIVERFPWKK-JKSUJKDBSA-N 354.523 4.508 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224159240 JWPPSRHELLMZOM-OAQYLSRUSA-N 361.441 4.743 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NCCSCc2ccccc2)cc1 225289870 PWUGIPZDOVQAJC-UHFFFAOYSA-N 370.465 4.925 0 40 FJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(Br)c1 225621247 AAXJYAJMZJDXLX-HNNXBMFYSA-N 374.322 4.864 0 40 FJAB C[C@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1cccc2ccccc12 245237485 KTLOUFPCYIBSBC-SBUREZEXSA-N 358.485 4.636 0 40 FJAB CCCCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408749140 DTAFJKNNSOHHNS-KBPBESRZSA-N 374.531 4.868 0 40 FJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2c3ccccc3C[C@H]12 408992522 AGVGHIKTGCLZHU-NNWRFLSQSA-N 371.436 4.864 0 40 FJAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCCc2cc(Cl)ccc21 500184480 BFASSCOHYPTUPD-GOSISDBHSA-N 355.865 4.827 0 40 FJAB C[C@@H]1C[C@@H](CCNC(=O)N2Cc3ccccc3-c3ccccc3C2)CCO1 542304727 VTITTWFVSVSLQE-MSOLQXFVSA-N 364.489 4.584 0 40 FJAB COc1ccccc1[C@@H](C)Nc1ncnc2sc3c(c12)CC[C@H](C)C3 1307191485 LBGBYDIXTSDXFU-QWHCGFSZSA-N 353.491 4.998 0 40 FJAB O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1-n1cccc1 1524890002 KZWRCLAGGIIDRP-HUUCEWRRSA-N 350.384 4.576 0 40 FJAB CCN(CC)C1=NCCCCCCOc2ccccc2Nc2ncccc21 1615079650 KLJRCDZQAJWOLM-UHFFFAOYSA-N 366.509 4.866 0 40 FJAB Cn1ccnc1Sc1c(-c2ccccc2)c2ccc(Cl)cc2[nH]c1=O 1252397 UWZMSHPOQKBPGY-UHFFFAOYSA-N 367.861 4.733 0 40 FJAB O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccccc2)c[nH]1 1382111 UXIJWOVVQNHGAM-UHFFFAOYSA-N 370.239 4.747 0 40 FJAB CCOC(=O)C1=C(C)S[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 2344995 RLLJSEPLPUEYQJ-UYAOXDASSA-N 352.455 4.606 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 2570913 AOQOHHLYYAGXCV-NTUHNPAUSA-N 359.381 4.860 0 40 FJAB CC(C)(C)c1ccc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc1 3447166 BMMIMHQKUXQDBL-UHFFFAOYSA-N 366.791 4.955 0 40 FJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(C)cc2)cc1 4725102 QAGBVCYGZHHSNQ-HSZRJFAPSA-N 370.452 4.995 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)c(C)s1 4968480 QXTNXJXNOLZLIF-UHFFFAOYSA-N 355.507 4.630 0 40 FJAB CCOc1ccc(NC(=O)c2ccoc2COc2ccc(C)cc2)cc1 5032782 VWXIXUVBGZABAW-UHFFFAOYSA-N 351.402 4.818 0 40 FJAB C[C@H](c1ccccc1)n1c(CNC(=O)c2ccccc2)nc2ccccc21 5210068 JKBNDRLABVNCOO-QGZVFWFLSA-N 355.441 4.576 0 40 FJAB Cc1nc(SCC(=O)Nc2ccccc2F)c2oc3ccccc3c2n1 5215586 XGPLOWXNGNSSRD-UHFFFAOYSA-N 367.405 4.554 0 40 FJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 5597608 PVRCQRCMQXIQBT-UHFFFAOYSA-N 356.422 4.990 0 40 FJAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl 6284742 WGEQFAZNMZIOJW-UHFFFAOYSA-N 358.652 4.650 0 40 FJAB Cc1ccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)cc1 6738893 PBCQDOXGQFYJNU-UHFFFAOYSA-N 357.461 4.998 0 40 FJAB CSc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)cc1 7118930 VLMZKLHGYGELLE-UHFFFAOYSA-N 369.515 4.633 0 40 FJAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c(C)c1 7918224 GZMROHAMFGTOEI-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB CC[C@@H](CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8326246 SFXUESUZUAKQHJ-IBGZPJMESA-N 369.892 4.933 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2sccc2C)cc1C 9204613 KSPWOBCKQUXLEJ-UHFFFAOYSA-N 369.486 4.874 0 40 FJAB Cc1nnc(S[C@@H](C)C(=O)n2c3ccccc3c3ccccc32)s1 9303761 QYAKLQLKXHUZNN-NSHDSACASA-N 353.472 4.775 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(F)c(C)c3)o2)cc1C 10613022 XTIPBXWXOGNBSO-UHFFFAOYSA-N 366.436 4.655 0 40 FJAB CCn1/c(=N\C(=O)c2ccc3ncsc3c2)sc2cc(Cl)ccc21 12180836 DXJVTWPTAYAEQO-LVZFUZTISA-N 373.890 4.727 0 40 FJAB Cc1ccc(Cn2nc(C)c(C(=O)N(C)C3CCC(C)CC3)c2C)cc1 12783782 SCUBORYEILBAPR-UHFFFAOYSA-N 353.510 4.507 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1 12923473 TWLAFHLVKPYWIN-HYJLXUOHSA-N 367.445 4.632 0 40 FJAB Cc1nc(-c2ccc(NC(=O)Cc3csc(-c4ccco4)n3)cc2)co1 12928119 CKQCJULXWBNXDR-UHFFFAOYSA-N 365.414 4.548 0 40 FJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cccc(Cl)c1Cl 13096186 SOIZHSAXBHKPMR-ZDUSSCGKSA-N 355.290 4.831 0 40 FJAB O=C(NCc1cccc(Cl)c1)c1cc(Br)ccc1Cl 13331310 OSRZKHPKLMCZNO-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB CN(C)CCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 13801629 AVFSFGLFPZHTCH-XDOYNYLZSA-N 355.482 4.540 0 40 FJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1C(F)(F)F 15198943 MWFFBLJNCPLBIL-CQSZACIVSA-N 355.356 4.811 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(C)cc1 20454944 LDZUBAGSICHMLA-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1F)C3 20502621 BVBQBDGCUFQNHM-UHFFFAOYSA-N 373.811 4.500 0 40 FJAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(Cc4ccccc4)nc3c12 21801899 VHIGVCFADALJKY-UHFFFAOYSA-N 359.477 4.792 0 40 FJAB O=C(Cc1ccccc1)Nc1ccccc1-c1nc(-c2cccs2)no1 22462077 JDFAEBPVCMSVFW-UHFFFAOYSA-N 361.426 4.646 0 40 FJAB COc1cc(C)cc2oc(C(F)(F)F)c(-c3csc(C)n3)c(=O)c12 26571735 SSVPDAAJEVWGNQ-UHFFFAOYSA-N 355.337 4.561 0 40 FJAB COc1ccc(COC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 32962626 MOEMISFOPCRKMY-UHFFFAOYSA-N 370.408 4.662 0 40 FJAB OC1=Nc2c(ncn2-c2cccc(C(F)(F)F)c2)[C@H](c2ccc(O)cc2)C1 36365247 HEQFSINZGZIUMY-HNNXBMFYSA-N 373.334 4.720 0 40 FJAB FC(F)(F)c1ccc2c(Br)c(Br)cnc2c1 41702659 JJBWRBARDRPPSA-UHFFFAOYSA-N 354.951 4.779 0 40 FJAB Cc1ccc(CN(C(=O)NCc2ccco2)[C@H]2CCc3ccccc32)cc1 48278507 JITOJVNBIUNSGJ-QFIPXVFZSA-N 360.457 4.987 0 40 FJAB O=C(Oc1ccc(Cl)c2ccccc12)c1csc(-c2ncccn2)n1 54860266 SXJRNBJOPOAGKL-UHFFFAOYSA-N 367.817 4.626 0 40 FJAB CCCN(C(=O)c1ccc2ccccc2c1)[C@@H](C)C(=O)Nc1ccccc1 58157357 QBZQEPNPAXLIJR-KRWDZBQOSA-N 360.457 4.719 0 40 FJAB O=C(CSc1ccc(O)cc1)N1c2ccccc2CCc2ccccc21 65488985 XGNGUCHFTCBONO-UHFFFAOYSA-N 361.466 4.948 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72229962 PRSCAAYHWQUDEO-FQEVSTJZSA-N 367.832 4.683 0 40 FJAB Cc1ccc(C)c(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)c1 72238593 LRKPYERUQWAJJY-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB O=C(NNc1ccc(F)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 74176587 SXRINNVTUHFAOS-JKSUJKDBSA-N 367.449 4.629 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101383961 GNIXJMMCZSNWBX-MEWXFMAXSA-N 358.869 4.858 0 40 FJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223660560 HVHAZYQLSCXOOD-UHFFFAOYSA-N 365.882 4.553 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 224535761 FFHUZPRZOVPPBD-OAHLLOKOSA-N 359.897 4.857 0 40 FJAB CCCCCNC(=O)c1ccc(OCC)c(COc2cccc(OC)c2)c1 224592462 FVFSSSVOHAQBCV-UHFFFAOYSA-N 371.477 4.593 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 225048983 YBRVXPJSWJVWFT-AWEZNQCLSA-N 373.865 4.655 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccccc1OC 225472366 DLWFUIOFBPYSFR-IIBYNOLFSA-N 363.457 4.883 0 40 FJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225624826 LFRKXMVVTATUJN-LIRRHRJNSA-N 371.905 4.678 0 40 FJAB CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cc1 225944884 VIYZIWCLUGHTAJ-UHFFFAOYSA-N 367.445 4.653 0 40 FJAB Cc1cccc(Nc2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)n1 257341470 ZKMJZKLVGVYMGU-HXUWFJFHSA-N 359.477 4.651 0 40 FJAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 408599979 QECIIHUVQMJKBV-XDHOZWIPSA-N 367.470 4.958 0 40 FJAB O=C(N[C@@H]1CCc2ccc(F)cc21)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 521637749 MTOMXZQZVFJHKS-LZLYRXPVSA-N 363.354 4.752 0 40 FJAB O=C(Nc1ccc(-c2nc3ccncc3[nH]2)cc1)c1ccc(Cl)s1 1627610205 CUUZSWBCRRUSNI-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB O=C(CCSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl 645141 IMZUGBWNJDTTKJ-UHFFFAOYSA-N 359.838 4.511 0 40 FJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1 666663 YSEBGDIFTINBHF-QFIPXVFZSA-N 374.415 4.826 0 40 FJAB CCC[C@@H]1CCc2c(sc(NC(=O)CCC3CCCC3)c2C(N)=O)C1 669285 FXCAEEMFNUSOMT-CQSZACIVSA-N 362.539 4.661 0 40 FJAB O=C(C[C@H](c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccco1 864964 JFVIFBAJBXUHRV-LJQANCHMSA-N 374.845 4.721 0 40 FJAB O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(OCc2ccccc2)c1 2302856 NMYCPULHYZUFOC-STZFKDTASA-N 373.383 4.749 0 40 FJAB CCC(=O)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 3011102 OHGHFRXDGKXVRT-SNVBAGLBSA-N 364.487 4.628 0 40 FJAB O=C(NCCOc1ccccc1Cl)c1ccccc1-c1ccccc1 3096291 PWMDQSFEDGXSOJ-UHFFFAOYSA-N 351.833 4.816 0 40 FJAB Cc1nc(N2CCN(c3ccccc3Cl)CC2)c2c(C)c(C)sc2n1 3284859 FLPIQNAKKSRANU-UHFFFAOYSA-N 372.925 4.597 0 40 FJAB Clc1ccc(-c2cnn3c(-n4ccnc4)cc(-c4ccccc4)nc23)cc1 5209162 MQKDWGOXQLULCG-UHFFFAOYSA-N 371.831 4.902 0 40 FJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)c1ccc(Cl)c(Cl)c1 5454522 XEMHOKHMJAPKAG-UHFFFAOYSA-N 372.664 4.893 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 5562807 VJZVGMIHRAQEPU-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB Cc1nc(SCc2ccc(Cl)cc2)[nH]c(=O)c1Cc1ccccc1 6420552 LRKLUJAPNBZZOH-UHFFFAOYSA-N 356.878 4.615 0 40 FJAB Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)C[C@@H]2C)cc1 8688098 AQIMESDQXUFZKT-SFHVURJKSA-N 351.494 4.861 0 40 FJAB COc1ccc(-c2cc3ncnc(Nc4cccc(CO)c4)c3s2)cc1 8779893 LNLZFNXWUKCLGX-UHFFFAOYSA-N 363.442 4.603 0 40 FJAB CC(C)[C@@H](NC(=O)CCSc1ccc(F)cc1)c1nc2ccccc2[nH]1 9125675 XKBMLFWBKNSVDL-LJQANCHMSA-N 371.481 4.698 0 40 FJAB Cn1ncc2c(Nc3ccc(Oc4ccc(Cl)cc4)cc3)ncnc21 9532179 RNLXNMLQJPJSPF-UHFFFAOYSA-N 351.797 4.553 0 40 FJAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1cccs1 9660010 AMQRRMYLLNLOGW-UHFFFAOYSA-N 365.385 4.913 0 40 FJAB biogenic CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 12062556 AOVLWFDZDFACGD-HXUWFJFHSA-N 373.880 4.560 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1c(=O)oc2cc(Cl)ccc21 14201251 JBCGJTPKIJAGBK-NSHDSACASA-N 373.865 4.508 0 40 FJAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 15866465 JQOHYGTXODBWNW-ROUUACIJSA-N 353.857 4.596 0 40 FJAB CCCC(=O)N1CCC(c2cc(-c3cccc(OC)c3)cc(C)n2)CC1 19690977 UYJVYLFVFKVOQC-UHFFFAOYSA-N 352.478 4.572 0 40 FJAB COc1ccccc1[C@H]1CC(=O)c2c(C)nc(Nc3ccc(C)cc3)nc2C1 20102232 ISCMABHNOZSEQU-MRXNPFEDSA-N 373.456 4.758 0 40 FJAB CSc1cccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c1 23136629 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4.601 0 40 FJAB COc1ccc(NC(=O)Nc2ccc(F)cc2Br)c(C)c1 51355907 ZBHBHGMBAWBJEI-UHFFFAOYSA-N 353.191 4.549 0 40 FJAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N(CC)CC)cc3C)cc2c1 72396068 HBNXTCADORYGPJ-UHFFFAOYSA-N 363.505 4.857 0 40 FJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccc(F)c(F)c2F)C1 72404384 SCCYARFFACJDJB-NSHDSACASA-N 363.364 4.534 0 40 FJAB CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cnc(-c2ccsc2)s1 95959718 DFUGCOOKPBFHTL-JTQLQIEISA-N 362.442 4.921 0 40 FJAB CC(C)NC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154461 SNGSRXVJGQEESD-UHFFFAOYSA-N 363.442 4.757 0 40 FJAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101090780 VCBJIRDVEMZHCI-GAJHUEQPSA-N 367.537 4.715 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cccc(SC)c2)C(=S)N1 101170057 SFJLYVCWSCCIAI-XLIONFOSSA-N 370.543 4.905 0 40 FJAB Cc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=Nc2ncnn21 102657031 MFCLOOGMGDEZEY-YCRPNKLZSA-N 374.419 4.791 0 40 FJAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 106692528 QAHIJKRZTBRAQP-WQRHYEAKSA-N 371.433 4.849 0 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O=C1N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1 409205359 BQEJUZHQRHKUKO-RCCKNPSSSA-N 370.408 4.572 0 40 FJAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(C(C)C)cc3)c(N)c12 409374464 QHTUWLXXEUTANG-UHFFFAOYSA-N 369.490 4.709 0 40 FJAB Cc1sc2nc(NCCc3c[nH]c4ccc(Cl)cc34)nc(O)c2c1C 1775971686 YPCVWYQSOBLIDZ-UHFFFAOYSA-N 372.881 4.803 0 40 FJAB CC(=O)c1cccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1 632966 HVMRUMFHBLTSMO-UHFFFAOYSA-N 356.834 4.918 0 40 FJAB Brc1ccccc1Cn1c(-c2cncs2)nc2ccccc21 718910 FZAZDJFRCUJBCA-UHFFFAOYSA-N 370.275 4.971 0 40 FJAB Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccc2c(c1)OCO2 947317 DJNUCQPGRNWGBO-IBGZPJMESA-N 363.442 4.863 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 1807972 BBVLYGDYHZOYFQ-UHFFFAOYSA-N 352.217 4.813 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(Cl)cc1Cl 2292347 GUQSDVHHVUVOKL-SQUSKLHYSA-N 373.283 4.631 0 40 FJAB CCOc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 2634633 VKPBDRDZUFQEAI-UHFFFAOYSA-N 362.429 4.846 0 40 FJAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3Cl)cs2)cc1 4570760 RRIKWTVRAGWTAI-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB Cc1csc2nc(-c3cccc(NC(=O)Cc4cccs4)c3)cn12 5083647 OLSAJHRZHSCPQE-UHFFFAOYSA-N 353.472 4.614 0 40 FJAB Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 5559541 SEZQDDCSOINGEO-UHFFFAOYSA-N 367.452 4.778 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nnc(SCC(C)C)s2)c1 7232081 QFUTZKSEMVLREG-UHFFFAOYSA-N 367.565 4.634 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1C 8494829 VVWOJRBMVHQLOM-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 8654820 ZAMUXFVCTSTQGU-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NC1CCCCC1 8853915 MGKJEIQGKYIHKL-UHFFFAOYSA-N 364.511 4.566 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(C)n1C1CCCCC1 9112148 VQDDFDWPEGTAFJ-AWEZNQCLSA-N 358.511 4.519 0 40 FJAB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3)C[C@@H]21 12080502 ROINBPDEQNYHDI-LAUBAEHRSA-N 362.454 4.999 0 40 FJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1-c1ccccc1 12739386 ISBCFENHOJDKDJ-UHFFFAOYSA-N 367.452 4.812 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12773096 UVDJEWGYYIYCKC-NWDGAFQWSA-N 353.796 4.571 0 40 FJAB CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 12819493 ADALEZWCSKMBQT-NRFANRHFSA-N 363.457 4.837 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 14256100 LAWSCARYNFQHNQ-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB O=C(CN1CCCCCC1)Nc1nc(-c2ccc3ccccc3c2)cs1 16740510 QGODMGUUDZKXGO-UHFFFAOYSA-N 365.502 4.778 0 40 FJAB Clc1ccccc1CN1CCC(c2ccc(-c3cncnc3)cn2)CC1 19689169 OOAZNDWHAJUCJB-UHFFFAOYSA-N 364.880 4.572 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1C 20138785 YJJOFAUFXBJDGZ-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1C 20460502 VXUGOLFTPIULLE-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB C[C@@H](NCc1ccc(OCc2cccs2)cc1)[C@@H](O)c1ccccc1 22076407 AHZFATVSQZPAEZ-IIBYNOLFSA-N 353.487 4.539 0 40 FJAB O=C(CCc1ccco1)NCc1ccc(-c2ccc(Br)cc2)o1 22197283 JCSZKTZUZYZXMA-UHFFFAOYSA-N 374.234 4.551 0 40 FJAB C[C@H](Oc1ccccc1)C(=O)OCc1cc(-c2cc3ccccc3o2)on1 22769015 QEJCIMGIXMTEHM-AWEZNQCLSA-N 363.369 4.599 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(Cl)ccn1 24104098 FIGADQZQBNKGHE-UHFFFAOYSA-N 369.774 4.606 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccsc1 25330594 GEXAWVDCIDANSE-INIZCTEOSA-N 374.506 4.648 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 25354346 SNMBYTRMSAIAPZ-FMIVXFBMSA-N 369.461 4.662 0 40 FJAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220440 OMQNMTDKAPLOMB-IBGZPJMESA-N 360.929 4.559 0 40 FJAB COc1ccc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1F 32803661 MUESZVYQABMLOP-SNVBAGLBSA-N 371.239 4.702 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 43769792 QDNPMZMQSJLSGK-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB COc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC(F)F 43995351 VZDOKWNYLVTJQD-JTQLQIEISA-N 370.783 4.833 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)c(Cl)c1 44949579 VOHAPVBOMQPVOH-LBPRGKRZSA-N 363.866 4.636 0 40 FJAB CSc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 59457308 WVACNRQUUSNUDR-GZTJUZNOSA-N 370.499 4.823 0 40 FJAB O=C(c1nc2ccccc2s1)N(CCc1ccccc1)Cc1ccccn1 62017898 LZJSZLGBYYXXGH-UHFFFAOYSA-N 373.481 4.576 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 64983001 FGABNWQVIBYJPQ-SFHVURJKSA-N 352.478 4.700 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)C1(C)C 71895324 ONLSOJYRYUVMGS-RDTXWAMCSA-N 360.885 4.644 0 40 FJAB O=C(NCCc1nc(C2CC2)cs1)c1ccc(Oc2ccccc2)cc1 72310483 YMSFQEFEZWLWSE-UHFFFAOYSA-N 364.470 4.785 0 40 FJAB O=C(NCc1cccc2ccccc12)N1CCC(c2ccsc2)CC1 75157182 CFZJBRXLRHHFST-UHFFFAOYSA-N 350.487 4.991 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(F)c(F)c2)S1 85411911 CDHPFOTWQYSKKL-INIZCTEOSA-N 363.433 4.846 0 40 FJAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc2ccccc2o1 96119596 KNEBEBWKWZIZJA-UHFFFAOYSA-N 359.385 4.536 0 40 FJAB CCSc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102678111 BWOSLWJIHVAPBF-MRXNPFEDSA-N 354.479 4.698 0 40 FJAB C1CCCC(N2N=N[C@@H]3[C@@H]2[C@@H]2C[C@@H]3[C@@H]3[C@@H]2N=NN3C2CCCCCC2)CC1 104044512 ZAYCNUZFVDXKPF-RFUSENCQSA-N 370.545 4.922 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222948967 PYPIRZIVPZGEOE-GJZGRUSLSA-N 351.928 4.569 0 40 FJAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 224705240 XOPZODWQBQNBLN-UHFFFAOYSA-N 363.788 4.574 0 40 FJAB CO[C@](C)(C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1)C1CC1 225646080 RGDFAUGHBFNXFB-QFIPXVFZSA-N 353.462 4.636 0 40 FJAB COc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c(C)c1 225931985 KBUKLEHMPNAFCZ-UHFFFAOYSA-N 357.453 4.679 0 40 FJAB Nc1nnc(-c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)o1 226321763 PRYATQHBCSOLPN-UHFFFAOYSA-N 370.623 4.858 0 40 FJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CC(C)(C)C)CC2)n1 257298947 ROADXFWHYIFCDY-UHFFFAOYSA-N 369.509 4.750 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408621098 JSBUHAWXLZWGTK-UHFFFAOYSA-N 364.832 4.774 0 40 FJAB O=C(NCc1ccc(C2CC2)nc1)c1cccc(Oc2ccc(F)cc2)c1 585150282 PGMJJULYRMOOSL-UHFFFAOYSA-N 362.404 4.820 0 40 FJAB COc1ccccc1[C@@H](C)Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 1307191484 LBGBYDIXTSDXFU-CHWSQXEVSA-N 353.491 4.998 0 40 FJAB 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Cc1csc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1 9636200 BKIRJGWUTSQEOF-UHFFFAOYSA-N 371.512 4.709 0 40 FJAB CCOC(C(=O)N(C)Cc1ccc(C)o1)(c1ccccc1)c1ccccc1 9883901 TWWZNEWUQMUCQI-UHFFFAOYSA-N 363.457 4.527 0 40 FJAB Fc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1Cl 12389211 JCOLUCNZCKHUPH-UHFFFAOYSA-N 366.755 4.591 0 40 FJAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccccn4)nnc3s2)cc1 13720131 OROKTVPYKHVYHW-AWEZNQCLSA-N 363.490 4.598 0 40 FJAB Cc1ccsc1-c1nnc(C2CCN(CCc3ccccc3)CC2)o1 19238718 LQEDOTZZDSYVEY-UHFFFAOYSA-N 353.491 4.529 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20145054 CWTLBOJPZUTAIE-ZZXKWVIFSA-N 370.619 4.997 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H]3CCCc4ccccc43)c12 22019220 BLMSIJNBEPDRNC-KRWDZBQOSA-N 373.412 4.599 0 40 FJAB CCCc1nc2ccc(NC(=O)c3c(OC)cccc3OC)cc2s1 22254854 PRANOVKQPMEFOT-UHFFFAOYSA-N 356.447 4.518 0 40 FJAB CC1CCN(Cc2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)CC1 22290918 FUWBVOLAFBTRTN-MRXNPFEDSA-N 357.523 4.507 0 40 FJAB Oc1nc(CN2CCC(Cc3ccccc3)CC2)nc2c1oc1ccccc12 23698005 YWBLDQIKZZSQDJ-UHFFFAOYSA-N 373.456 4.536 0 40 FJAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCn2c1nc1ccccc12 29375852 SURZRFLNZNNRII-UHFFFAOYSA-N 371.824 4.704 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccsc2)oc2ccc(Br)cc12 32741269 ZEAFMGRGVRGTJB-UHFFFAOYSA-N 364.264 4.837 0 40 FJAB Cc1ccc2c(c1)OC=CC(C(=O)Nc1ccc(Br)cc1)=C2 33321287 OREAFSILGYXFDX-UHFFFAOYSA-N 356.219 4.686 0 40 FJAB Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 35446575 BQUHIEKANXEKGH-HNNXBMFYSA-N 359.395 4.880 0 40 FJAB biogenic,in-vitro O=C(c1cnc2ccc(F)cc2c1Nc1cccc(F)c1)N1CCCCC1 35478569 SOGDADPQKUBYGH-UHFFFAOYSA-N 367.399 4.883 0 40 FJAB CCn1ncc(-c2cc(C(F)(F)F)nc(NC3CCCCCC3)n2)c1C 36613786 JJLBQVZHPZAZHX-UHFFFAOYSA-N 367.419 4.822 0 40 FJAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cccs2)cn1 48240010 COFWWVLXZYOZSX-UHFFFAOYSA-N 369.446 4.574 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CSc1cccc2cccnc12 57469675 ZAHDAAJPLDILDC-UHFFFAOYSA-N 358.850 4.628 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)C1(C)C 58427200 YLHJKDHYWQRIBI-MJGOQNOKSA-N 363.461 4.511 0 40 FJAB COc1ccc2oc(-c3ccc(CNC(=O)c4ccc(C)cc4)cc3)nc2c1 67207087 NVRGMCSJLUGMIO-UHFFFAOYSA-N 372.424 4.742 0 40 FJAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C(C)C 69491028 LKYKIAGEILRSHK-CALCHBBNSA-N 367.555 4.656 0 40 FJAB CCCn1c(Sc2nc3ccccc3s2)nnc1-c1ccncc1 70012465 AAFMGDJWVXNBGC-UHFFFAOYSA-N 353.476 4.511 0 40 FJAB Cc1ccc2cccc(C(=O)NCc3cccc(Oc4ccccn4)c3)c2n1 96104544 GGJRVCPPWSUOST-UHFFFAOYSA-N 369.424 4.661 0 40 FJAB COc1cc(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)ccc1OC1CCCC1 100198425 NLDGMHHMQXCFPE-DYESRHJHSA-N 364.489 4.673 0 40 FJAB Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3nc(C)nn32)cc1 102667628 GGYIQQQKKPGHEG-QRWLVFNGSA-N 360.417 4.553 0 40 FJAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1 106682370 VSJHAXXZVABKDF-BOPFTXTBSA-N 373.861 4.975 0 40 FJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 108888750 XZOWONVNGBYESD-WBAXXEDZSA-N 352.405 4.788 0 40 FJAB O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)Nc1ccc(F)cc1 109914527 GEZMASVXYGWALS-ONNFQVAWSA-N 352.340 4.804 0 40 FJAB O=C1NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)S1 113833428 GKJWCENEKWFHGS-XDHOZWIPSA-N 361.422 4.743 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 166120842 ZTUJAZPDNPNZJL-UHFFFAOYSA-N 352.478 4.818 0 40 FJAB C[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@H]2CCCC[C@H]21 195528853 FQIVCERLPVIKBJ-FFSVYQOJSA-N 354.263 4.629 0 40 FJAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(OC)c(C)c1 222842530 WGWDWGCDCIRNLL-IBGZPJMESA-N 357.519 4.894 0 40 FJAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 222901112 YGOLQGYRHGNPQB-IBGZPJMESA-N 353.506 4.943 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(Br)c1 222976734 RSMLJAFNWMEXOA-QGZVFWFLSA-N 362.267 4.862 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C 223502673 KIVMNOBAOAFNQU-SFHVURJKSA-N 361.489 4.656 0 40 FJAB CC(C)Oc1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224140316 SWOCWSRWYWDHHA-MRXNPFEDSA-N 353.462 4.759 0 40 FJAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1C(C)C 224232856 DEDFGLXZQHGRPG-UHFFFAOYSA-N 353.462 4.634 0 40 FJAB CC(C)COc1c(Br)cc(Br)c2cccnc12 225392306 SGHMCTDXNLNDSE-UHFFFAOYSA-N 359.061 4.795 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1 225483812 DEPGVBJOKLMYJB-KRWDZBQOSA-N 356.491 4.528 0 40 FJAB Cc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C 225652820 QGWUQWYDAPWVHW-UHFFFAOYSA-N 369.852 4.587 0 40 FJAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1 257304770 SNCDSWUGGGMCAT-OAQYLSRUSA-N 361.420 4.650 0 40 FJAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1cc2ccccc2o1 390832339 YTGNRCVERQNOBO-GOSISDBHSA-N 374.824 4.604 0 40 FJAB Cc1csc2nc(SCc3ccc(Br)cc3)nc(O)c12 408597851 MXZSLXDPPVZQND-UHFFFAOYSA-N 367.293 4.760 0 40 FJAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1C 409061997 LGTCGIULNCPVHK-YBEGLDIGSA-N 359.834 4.898 0 40 FJAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4c(C)cccc43)n[nH]2)cc1C 1646497677 UGWPZWLSENDLIU-HXUWFJFHSA-N 359.473 4.809 0 40 FJAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC 645469 RPVDYDOFURVOTB-UHFFFAOYSA-N 350.418 4.726 0 40 FJAB CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCC2 695420 LYEWOJDPFQGQBP-UHFFFAOYSA-N 358.463 4.838 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 959316 BFJKEQLAFVNHSW-UHFFFAOYSA-N 373.522 4.901 0 40 FJAB O=C(NCc1ccco1)c1ccc(COc2ccc3ccccc3c2)cc1 2751541 OWKIMULSSGFUBC-UHFFFAOYSA-N 357.409 4.942 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1coc2ccccc2c1=O 3215648 IGWYTGLXEBYSIT-UHFFFAOYSA-N 357.365 4.838 0 40 FJAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cc2c(s1)CC[C@H](C)C2 3384900 BNNPYTFICHISHE-ZDUSSCGKSA-N 372.486 4.831 0 40 FJAB COc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1Cl 4524913 BQESXKRNVIVYGR-UHFFFAOYSA-N 362.882 4.599 0 40 FJAB CCOc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1 4570546 ZNHAGZBBJPMHPX-UHFFFAOYSA-N 357.841 4.970 0 40 FJAB CCN(C(=O)CSc1nc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 4580455 HYCJFSDUJLITQR-UHFFFAOYSA-N 370.518 4.737 0 40 FJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 6295472 OIHKFTIFTWMJNO-CAOIWOLBSA-N 363.438 4.552 0 40 FJAB COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1 6341570 ZUMRAJCYKFVOON-AWEZNQCLSA-N 368.458 4.533 0 40 FJAB COc1ccc(C)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 6789186 UBIOKYIYGRONAZ-UHFFFAOYSA-N 372.877 4.962 0 40 FJAB COc1ccc(C)cc1CCNC(=O)C1c2ccccc2Oc2ccccc21 7923845 FKDHBTUMFBFNNX-UHFFFAOYSA-N 373.452 4.600 0 40 FJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)cc1C 8476958 KOSXHMZCUHPRCI-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cnn(Cc2ccccc2)c1 12923228 UMZSUTZZDCGJBU-NRFANRHFSA-N 373.481 4.512 0 40 FJAB Cc1cccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 14014285 IIGHIYJWIQXOLE-HXUWFJFHSA-N 354.450 4.675 0 40 FJAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(F)cc1 16431622 LTSTUWZMMJTRFF-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB O=C(C1[C@H]2CCCC[C@@H]12)N(Cc1ccc(Cl)cc1)Cc1cccnc1 19338691 FBMUGLXSPSWBRF-YOFSQIOKSA-N 354.881 4.700 0 40 FJAB CC(C)c1ccc([C@H](O)c2nc(-c3ccncc3)cc3ncccc23)cc1 19717983 IKHAGWRRLNIOJM-QHCPKHFHSA-N 355.441 4.897 0 40 FJAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(C(=O)O)c1O 20139883 KQRFAXBZPMNBMG-UHFFFAOYSA-N 371.776 4.565 0 40 FJAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NCCC1=CCCCC1 21637084 SGPGDYXJVBZAMI-GFCCVEGCSA-N 358.429 4.588 0 40 FJAB c1ccc([C@@H]2CN[C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 23956881 CKQGMZMTPNSSTE-MBSDFSHPSA-N 368.436 4.721 0 40 FJAB O=C(NCc1ccccc1F)c1ccccc1SCc1cscn1 24924412 CYFZWKAGRFZKPW-UHFFFAOYSA-N 358.463 4.505 0 40 FJAB COc1ccc(C)cc1NC(=O)c1cc2cc(Br)ccc2o1 28250178 HWAHMGVILQSXOV-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB Clc1ccc(-c2nc(COc3ccccc3Br)no2)cc1 29290937 YFVATUDTURGGDH-UHFFFAOYSA-N 365.614 4.732 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 30755533 ZBZQFGXJKAESST-UHFFFAOYSA-N 360.498 4.539 0 40 FJAB Cc1nn(CN(C2CCC(C)CC2)C2CC2)c(=S)n1Cc1ccccc1 32926876 OESKTNLFIOCHPP-UHFFFAOYSA-N 370.566 4.771 0 40 FJAB Fc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 34086983 HSBAYIHQSCXMDL-UKILVPOCSA-N 374.503 4.974 0 40 FJAB Cc1nc(COc2cccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c2)cs1 40012762 NNFBEMHJOLMMPJ-OXJNMPFZSA-N 370.518 4.825 0 40 FJAB CC(=O)c1ccc(OCC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)cc1 40070281 XUQCLKXYIXHQQQ-AWEZNQCLSA-N 371.864 4.674 0 40 FJAB Clc1cc(Cl)cc(-c2nnc3sc(/C=C/c4cccnc4)nn23)c1 40287429 RZUJWJZQERTNPL-ONEGZZNKSA-N 374.256 4.725 0 40 FJAB Cc1ccccc1Cn1c2ccccc2n2c(=O)cc(-c3ccccc3)nc12 40484647 DMAJURHGVQHVQF-UHFFFAOYSA-N 365.436 4.673 0 40 FJAB Cc1c(NC(=O)NCc2ccccc2)cccc1NC(=O)c1ccccc1 48140160 WBRLQXNEYRGQPV-UHFFFAOYSA-N 359.429 4.569 0 40 FJAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C(C)C)n[nH]2)cc1 57477101 IZFWTTWVYFTYJP-UHFFFAOYSA-N 363.461 4.526 0 40 FJAB CCN(C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@@H](C)C(C)C 58168388 WDSYTSJJWSMJNI-SUMWQHHRSA-N 354.441 4.741 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 70462927 GPFQESDZRGPXJJ-LLVKDONJSA-N 353.249 4.598 0 40 FJAB COc1ccc(C)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761644 USCYWLACTQPGPZ-UHFFFAOYSA-N 356.369 4.711 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423074 NGYSAXMUFKSQCK-WOJBJXKFSA-N 369.896 4.657 0 40 FJAB CC(=O)c1csc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1 106748030 DUEGAQAIMOJZGB-UHFFFAOYSA-N 366.486 4.760 0 40 FJAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223140930 OWEKYCYCEGFAIV-QFIPXVFZSA-N 351.490 4.774 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223444243 MNTFSHKMNHCDDQ-UTKZUKDTSA-N 355.478 4.655 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224966331 HDMCESZGINELDS-OAQYLSRUSA-N 352.478 4.781 0 40 FJAB O=C(NCCSCc1ccccc1Cl)c1ccc2c(c1)CCCC2 225625667 FFBGGJZGGOWRDP-UHFFFAOYSA-N 359.922 4.882 0 40 FJAB O=c1[nH]c2c(s1)[C@H](c1c[nH]c3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 238881477 AASRQRDVFMNPRX-SZHJEYTRSA-N 354.500 4.570 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1 408627784 NQQJPSSNVPFKEN-UHFFFAOYSA-N 369.515 4.602 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)CC1 408706993 HHJZWBUFNMVAHL-UHFFFAOYSA-N 372.553 4.537 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 575619893 GYJKQTSLRADMNV-HNNXBMFYSA-N 353.487 4.590 0 40 FJAB CCCc1cc(=O)oc2c(C(=O)CC(C)C)c3c(c(O)c12)C=CC(C)(C)O3 2332242391 MEVIDKYQZPXXDI-UHFFFAOYSA-N 370.445 4.864 0 40 FJAB COc1ccccc1[C@@H](CCNC[C@H]1CCOC(C)(C)C1)c1ccco1 2126693 ZJRAJVFUDNLVDK-PKOBYXMFSA-N 357.494 4.605 0 40 FJAB biogenic COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C)c2)cc1 2250945 YBVDVDUXQODBQT-UHFFFAOYSA-N 366.424 4.953 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc(F)cc4)c23)C1 2679452 QDYSXDKOSCWPIP-NSHDSACASA-N 372.490 4.930 0 40 FJAB Cc1ccccc1COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 3332469 ONXMXIMVPMFKKX-UHFFFAOYSA-N 354.837 4.808 0 40 FJAB Cc1cccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 4120176 ODPQGLZYAGMCTP-UHFFFAOYSA-N 368.546 4.643 0 40 FJAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4292011 PJIVQNXLURAJMI-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB CCc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1 4356319 LRDIIMKFJKTHMU-UHFFFAOYSA-N 352.434 4.820 0 40 FJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1OC 4487765 MPYMKIWBJYADRC-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB Cc1ccc(-c2ccc(/C=C/C(=O)NCc3cccnc3)o2)cc1Cl 4733256 NYAXDCWNOFQKPN-VQHVLOKHSA-N 352.821 4.633 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1Cl 4917759 OUXUGHXEMACTOS-UHFFFAOYSA-N 370.861 4.835 0 40 FJAB CCc1nc(N2CCN(c3ccc(C)cc3)CC2)c2oc3ccccc3c2n1 5149712 YHZCYQPGGJEDPJ-UHFFFAOYSA-N 372.472 4.573 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Br 6338548 KXHOFTSLLGIFPE-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB Cc1csc2nc(CSCc3c(Cl)cccc3Cl)cc(=O)n12 6510485 DHJLAGKCYLQNQZ-UHFFFAOYSA-N 371.314 4.805 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 6551394 GVOJZJJSFXJRDH-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccccc2F)cc1 7803871 SEOPLMIHBPZCLG-UHFFFAOYSA-N 369.417 4.658 0 40 FJAB CSc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 7821464 NFXQMDDERHOBLE-UHFFFAOYSA-N 360.529 4.832 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 8139833 ZLAOHBUBFWKEFQ-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)c(C)c1 8479123 GQCOXOZJVCOHCT-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccccc2)cc1 10328161 YAUDWNSSLWQBMH-UHFFFAOYSA-N 355.547 4.966 0 40 FJAB CC(C)[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(F)cc1 10983335 LQDFCZPGERCEML-GOSISDBHSA-N 353.409 4.710 0 40 FJAB Cc1cc(C)nc(Oc2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 12090048 DHYBMRDEGCMDMK-UHFFFAOYSA-N 371.799 4.931 0 40 FJAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCCOC12CCCCC2 12389599 RZRHAWGPQOXKEQ-UHFFFAOYSA-N 360.841 4.518 0 40 FJAB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)ccc1C 12982230 XIKVEDABLBVLNE-MRXNPFEDSA-N 366.486 4.633 0 40 FJAB O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 16044089 KOTFGUIEHHQFOD-JOCHJYFZSA-N 369.468 4.596 0 40 FJAB COCc1cccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 26547328 LENFLKUQGOSKNE-UHFFFAOYSA-N 374.289 4.557 0 40 FJAB C[C@@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1ccncc1 27403896 BNBHXHKHOQCKTN-QGZVFWFLSA-N 362.498 4.782 0 40 FJAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCCC2)cc1 27581659 PBBNFLVHTQHIIW-OAQYLSRUSA-N 370.924 4.534 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 27583896 JEFDCOXIQSFCML-FQEVSTJZSA-N 356.897 4.605 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncc(Cl)cc1Cl 27975728 IRVUPIRXPGVGOB-MRXNPFEDSA-N 365.260 4.673 0 40 FJAB Cc1cccc(COc2cccc(C(=O)N(C)Cc3ccsc3)c2)c1 32902626 YEJICDBSGLAXHI-UHFFFAOYSA-N 351.471 4.908 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c2ccccc12 35685416 IJFCOACBFQTIAF-UHFFFAOYSA-N 361.850 4.611 0 40 FJAB Cc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)c1 36246575 CEWFDIMQRUDAFE-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB O=C(Cc1nc2ccccc2n1C(F)(F)F)c1ccc(OC(F)F)cc1 36625623 WAPVLUJFALSYEI-UHFFFAOYSA-N 370.277 4.539 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccccc2)CC1 39755410 ZHWHATPCZFYMQA-UHFFFAOYSA-N 362.395 4.556 0 40 FJAB CCSc1ccc(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cn1 71842697 QWHHPQVCDSTUMT-GFCCVEGCSA-N 358.442 4.864 0 40 FJAB O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 100250789 XFGLUOPONFXOFQ-FCQUAONHSA-N 356.450 4.947 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSc2ccc(C)cc2)cc1 222874702 YRXJFDKLGGIYLS-FQEVSTJZSA-N 357.519 4.623 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)ccc3C)s2)cc1 222876607 LMNBFWIXDKQQOQ-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 224476006 KFTYEVZDGFVSOS-KRWDZBQOSA-N 367.873 4.545 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1 224480737 VEOCDMKTLFRGJR-MSOLQXFVSA-N 368.893 4.549 0 40 FJAB Cc1ccc(S[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225066963 ITRCSGJVWVJHBX-OAHLLOKOSA-N 351.265 4.546 0 40 FJAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 226336068 NBIVPNXZKMMSOQ-BQYQJAHWSA-N 367.228 4.767 0 40 FJAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 227147786 MWNWFWFMPIXSIS-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB NC1=N[C@H]([C@@H](O)c2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)S1 253569767 MTLLXUNOCJBIAC-HKBOAZHASA-N 360.482 4.558 0 40 FJAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 257318307 VNIHXRHCTIWAON-MRXNPFEDSA-N 355.457 4.635 0 40 FJAB O=C(c1cc2c(ccc3ccccc32)o1)N1CCN(c2ccc(F)cc2)CC1 408616259 FMNYRTRRHJLMCG-UHFFFAOYSA-N 374.415 4.688 0 40 FJAB O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1c1ccc(Cl)cc1 409168871 URUWMTKCDNVVQF-SFQUDFHCSA-N 364.788 4.697 0 40 FJAB Brc1ccc(-c2cn3ccccc3[n+]2-c2ccccc2)cc1 625471 BRAIIGXGCCBDIG-UHFFFAOYSA-N 350.239 4.646 0 40 FJAB CCc1cc(C(=O)O)c(NC(=O)C(c2ccccc2)c2ccccc2)s1 1303403 ZSEOOEKXCPPTGW-UHFFFAOYSA-N 365.454 4.779 0 40 FJAB O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCc3ccccc3)ncc21 1407295 KUHYFWBBIICGJF-HNNXBMFYSA-N 363.848 4.655 0 40 FJAB O[C@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1 1615825 NDAKMAPCTFMTSY-QETWGEEDSA-N 355.547 4.691 0 40 FJAB Cc1cc(C)c2c(SCc3ccc(Cl)cc3Cl)nc(N)nc2n1 1682024 DKPSMHAGCCPLMX-UHFFFAOYSA-N 365.289 4.823 0 40 FJAB in-vitro Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1)nn3CC(C)C 2436200 RLOJZFXJYVPYCE-UHFFFAOYSA-N 358.445 4.801 0 40 FJAB O=C(OC[C@@H]1CCCO1)c1cccc(COc2ccc3ccccc3c2)c1 2750446 YORVDCVLDCSSRV-QFIPXVFZSA-N 362.425 4.755 0 40 FJAB Cc1ccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)cc1 3178316 SWULYUFABUFXGD-UHFFFAOYSA-N 370.452 4.939 0 40 FJAB COc1ccc2cc(C(=O)NCCSc3ccccc3C)ccc2c1 4761238 KNWICZUEVGFUMH-UHFFFAOYSA-N 351.471 4.679 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC 5512815 JLXNHEWKOCVVHI-XBXARRHUSA-N 374.849 4.619 0 40 FJAB S=C(NC(=S)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 6092987 CKTHLPNLYJYYOW-UHFFFAOYSA-N 356.303 4.677 0 40 FJAB COc1ccccc1/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1 6182589 GTVRNRZHFCEDCV-DQRAZIAOSA-N 359.454 4.842 0 40 FJAB CCOc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(C)cc3)=NN2)cc1 6600790 AWNWTEGNLZXUDV-UHFFFAOYSA-N 373.431 4.967 0 40 FJAB C[C@H]1CCCC[C@@H]1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 6650672 VFBGUFSGNXJUPV-HKUYNNGSSA-N 361.489 4.653 0 40 FJAB COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1OC 6954134 PSIYKAWXWWTHDR-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB CNC(=O)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 8486118 ZGRBYKNUESBABU-UHFFFAOYSA-N 353.425 4.566 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccc(C)c(F)c3)sc2C)cc1 9515295 OUZQJLYUEVRYMQ-UHFFFAOYSA-N 356.422 4.827 0 40 FJAB Cc1ccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1F 11163846 ONWHSYWTOPKWJS-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccncc3)on2)cc1 12120300 DBRFBDGGQNCFGX-OAQYLSRUSA-N 363.461 4.863 0 40 FJAB CC1CCC2(CC1)NC(=O)N(Cc1sc3ccccc3c1Cl)C2=O 12984141 OQJCYAVKYNLTIL-UHFFFAOYSA-N 362.882 4.555 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 13001917 AZWUNBFKUGABPR-NSHDSACASA-N 362.907 4.945 0 40 FJAB Cc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1C 13547269 BIGAOFRAQIVUKZ-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB CCCCOc1ccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 13561321 BHKAFDQTVCMSKM-UHFFFAOYSA-N 350.462 4.936 0 40 FJAB O=C(CCSCc1ccccc1)N1CCC(Cc2ccccc2)CC1 13687995 NEUVADPFJJUFGE-UHFFFAOYSA-N 353.531 4.791 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)cc1C 14248485 FPZYVIKKPVLBKV-LJQANCHMSA-N 354.837 4.551 0 40 FJAB Cc1ccc(CSCCNC(=O)CCCOc2ccc(C)cc2)cc1 14400795 DTLOCFAZYLJLIG-UHFFFAOYSA-N 357.519 4.512 0 40 FJAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1 16101656 GTYZQSQOFATCES-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 16161558 STTKYMHVIUQQRF-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB CCCCn1nc(NC(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 17250645 ZPPPWVHPQZDXOI-UHFFFAOYSA-N 358.445 4.945 0 40 FJAB CCCNc1nc(Nc2ccccc2C)c2cnn(-c3ccccc3)c2n1 17286282 CZZDQLUYWZQQCT-UHFFFAOYSA-N 358.449 4.689 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1C 22606246 UIROZFCJBDSHBB-HNNXBMFYSA-N 365.502 4.930 0 40 FJAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27662461 KLOLNFLYYVPKNS-GOSISDBHSA-N 356.535 4.613 0 40 FJAB Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1 36705733 XPSLCZVWHQCRAM-UHFFFAOYSA-N 371.803 4.965 0 40 FJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCc3ccccc32)c1 39979713 FCJMDCFMWOVRHZ-UHFFFAOYSA-N 352.434 4.627 0 40 FJAB COc1ccc(CCC(=O)N(Cc2ccsc2)Cc2ccco2)cc1 42382037 NZXPHYKEZPLSDI-UHFFFAOYSA-N 355.459 4.511 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44933548 LQTKHYJESXZRRU-LJQANCHMSA-N 350.506 4.862 0 40 FJAB Cc1nc(COC(=O)Cn2c(-c3ccccc3)cc3ccccc32)oc1C 58307267 FLKLQEZLWMQWQG-UHFFFAOYSA-N 360.413 4.657 0 40 FJAB Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3nc(C)cs3)c2C(C)C)cc1 67860769 YKPDBLUBVMZBAJ-OAHLLOKOSA-N 368.506 4.560 0 40 FJAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc(Br)s1 79484818 YGVCATZHRTVXPK-LBPRGKRZSA-N 372.313 4.712 0 40 FJAB CC(C)c1ccc([C@H]2CC(=O)c3sc(Br)nc3C2)cc1 85389970 VGTWSCJPSABIMD-GFCCVEGCSA-N 350.281 4.942 0 40 FJAB O=C(C[C@H]1CCCc2ccccc21)Nc1ccccc1[C@H](O)C(F)(F)F 95465505 QLRKWNMXPURBMC-KUHUBIRLSA-N 363.379 4.731 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc2ccccc2o1 96119831 NABKKIODFHJTAG-UHFFFAOYSA-N 367.451 4.717 0 40 FJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC(C)C)C12CCCC2 96344065 METHPKSNFGHAIB-HXUWFJFHSA-N 370.537 4.501 0 40 FJAB CCC[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 103423316 GGUZNMWDBFDWPA-WYHNVWNDSA-N 355.522 4.838 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)N)CC[C@@H]32)C1 118928622 VJYVCSBIXCOHFV-KKYFFNGPSA-N 361.570 4.924 0 40 FJAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(-n2cccc2)cc1 225665724 QXIICSGDERUWDE-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)cc1C 225685213 LIKDQNRCLKNTPQ-SFHVURJKSA-N 370.518 4.901 0 40 FJAB CCc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225686038 XHCLLRDGSUHOIH-SFHVURJKSA-N 370.518 4.846 0 40 FJAB C[C@@H](NC(=O)CCc1nc(-c2cccc3ccccc23)no1)c1ccccc1 225827392 MNOZIVGNXXYCLB-MRXNPFEDSA-N 371.440 4.700 0 40 FJAB Cc1cccc(CSCCNC(=O)c2ccc(Cl)cc2Cl)c1 408907511 PRRSXMPNMKUVEB-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2Cl)on1 815157 NWEPPZJRMZNLGS-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 831500 ABGZMGJHTLACPZ-UHFFFAOYSA-N 352.821 4.587 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)c(C)s1 1354441 ORXDGBRUVXJXRO-UHFFFAOYSA-N 363.486 4.672 0 40 FJAB O=C(CCC1CCCC1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359650 WEEPDOVZRZVFKT-QGZVFWFLSA-N 371.456 4.552 0 40 FJAB Cc1cccc(N2C(=O)c3cc(C)nc(SCc4ccccc4)c3C2=O)c1 1405629 MFXMPAZQMOXFLD-UHFFFAOYSA-N 374.465 4.791 0 40 FJAB COc1ccccc1-c1nnc2sc(Cc3cccc4ccccc34)nn12 2217311 HGOIHICKQIJLAF-UHFFFAOYSA-N 372.453 4.605 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1nc2ccccc2nc1C(F)(F)F 2275768 VHKFFXGNEXDGFM-UHFFFAOYSA-N 366.730 4.946 0 40 FJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)cc2)n1 2416902 RDWGLLRNWZYDJE-UHFFFAOYSA-N 373.412 4.873 0 40 FJAB C[C@H](OC(=O)C[C@@H](C)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 3416913 IQTMRWLBCZFZTM-SJORKVTESA-N 361.441 4.904 0 40 FJAB COc1ccc([C@@H]2CC(=O)C[C@@H]3CCCCN32)cc1OCc1ccccc1 3847178 DSKCHQXVNIWUAV-FPOVZHCZSA-N 365.473 4.533 0 40 FJAB biogenic O=C(Nc1nc(-c2ccncc2)cs1)c1cc(Cl)sc1Cl 4063466 IVUYEOJMKIWKSC-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB O=C(C1CCCCC1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120422 HCNGGVNTNWRVLO-UHFFFAOYSA-N 370.440 4.717 0 40 FJAB Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)c1 4535329 NPKQWCBXYSBLJC-UHFFFAOYSA-N 374.362 4.642 0 40 FJAB CN(C)c1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1 4632384 UWCWKRPBMHEYQN-UHFFFAOYSA-N 363.852 4.859 0 40 FJAB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 4843929 RONWUDVZHQVPNE-DZGCQCFKSA-N 360.479 4.666 0 40 FJAB CCc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2CC(C)C 4856948 YDSWSSOWBIMQQI-YQQQUEKLSA-N 359.583 4.577 0 40 FJAB C[C@@H](NC(=O)c1cccs1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998172 WOJQZMATZYEUDE-GFCCVEGCSA-N 355.463 4.587 0 40 FJAB Cc1c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)oc2ccccc12 5405881 ISKIKQHXSZZGME-FQEVSTJZSA-N 365.429 4.640 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(Cl)c(Cl)c1 6789757 WKKFJKWIYBLDSQ-UHFFFAOYSA-N 365.285 4.804 0 40 FJAB O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O 7344900 SUXPUGHNKXZRPX-UHFFFAOYSA-N 355.393 4.636 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 7401777 XNSYOYRBQHHIHH-IBGZPJMESA-N 351.446 4.654 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1F 8048920 XPBYKYWMZYYLEK-INIZCTEOSA-N 366.230 4.693 0 40 FJAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCO4)cs2)c(C)c1 9384633 VJPJSPHGRPQSLK-UHFFFAOYSA-N 364.470 4.543 0 40 FJAB C[C@H]1CCN(C(=O)c2ccccc2Br)c2ccccc2S1 12858818 JVZQMJGIPHIMCX-LBPRGKRZSA-N 362.292 4.980 0 40 FJAB COc1ccc(NC(=O)c2occc2COc2ccccc2)cc1Cl 12885420 BWMKZEZDKYNTBV-UHFFFAOYSA-N 357.793 4.773 0 40 FJAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 12980833 NFCJHOWDSJHBKI-PGLGOXFNSA-N 352.183 4.808 0 40 FJAB COc1ccc(-c2cc(Nc3ccccc3Br)nc(C)n2)cc1 15859160 BXMWJOKSMNUIHR-UHFFFAOYSA-N 370.250 4.967 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)cc1 16339278 XALLLQPDIQKWJX-GOSISDBHSA-N 369.852 4.736 0 40 FJAB O=C(c1ccccc1)N(C(=O)c1ccccc1)c1cc(-c2ccccc2)no1 27662415 FWVUJCNWPKALGY-UHFFFAOYSA-N 368.392 4.829 0 40 FJAB Clc1cccc(-c2nc(CSc3nncn3Cc3ccco3)co2)c1 28965479 LNKCCTFFJGIOSQ-UHFFFAOYSA-N 372.837 4.520 0 40 FJAB O=C(Nc1cccc(-c2cc[nH]n2)c1)C1c2ccccc2Oc2ccccc21 38489963 CWYMFWRJZNMQSF-UHFFFAOYSA-N 367.408 4.953 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078613 WOYGPEXEUQDDEP-KRWDZBQOSA-N 364.489 4.506 0 40 FJAB O=C(CCCc1nc(-c2cccs2)no1)N1CCC[C@H]1C1CCCCC1 71818190 ANCWUMUZTUAZJA-INIZCTEOSA-N 373.522 4.692 0 40 FJAB COc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3ncnc3N2)cc1 101109747 APSXOAQZPDMHHQ-INIZCTEOSA-N 373.243 4.650 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219549697 SNVNMIITERNJCB-YLJYHZDGSA-N 367.489 4.798 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(C(C)(C)C)c3)N21 222687099 QXJMUZCGPKYQTO-KBAYOESNSA-N 354.523 4.618 0 40 FJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223085043 YOKKZOMLSQGESY-PMACEKPBSA-N 368.550 4.769 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(C)c(C)c1 224293591 PHGMBGYAARAHCV-UHFFFAOYSA-N 367.489 4.907 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 224604555 VXFFHDAIBNTJPN-GOSISDBHSA-N 360.457 4.695 0 40 FJAB Fc1ccc(NC(=S)NCCCSCc2ccco2)cc1Cl 225593838 OUZLYLSFRNREES-UHFFFAOYSA-N 358.891 4.682 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(C)c1 225768496 XAOATZPXIMVIGK-HKUYNNGSSA-N 355.478 4.655 0 40 FJAB COc1cccc(OC)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1 225995245 NGHGERRDWZRQSV-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(Cl)c3)oc2c1 226271003 CHPAWQCNKIYWCX-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB CCOc1cc(Cl)c(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 409013340 UPBGKRHAWPAOMJ-CYANDVJASA-N 369.870 4.582 0 40 FJAB CCOc1ccc(NCc2cc(Br)c(O)c(OCC)c2)cc1 409109428 DRBOIBVZMXGCSB-UHFFFAOYSA-N 366.255 4.564 0 40 FJAB CN(C)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21 538416 WRHGGQFJPWBBTG-UHFFFAOYSA-N 356.473 4.654 0 40 FJAB in-man CCCC(=O)N[C@@H](c1ccccc1)c1c(OC(C)=O)ccc2ccccc12 855811 XYOIAEVQCIWMBD-QHCPKHFHSA-N 361.441 4.771 0 40 FJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(F)cc1 953680 VOQAOOBYHZQDOQ-UHFFFAOYSA-N 354.381 4.693 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1)CO3 2123816 YUOWQAXDLVJXAR-UHFFFAOYSA-N 353.393 4.550 0 40 FJAB biogenic C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 2334896 VNPSMAKGRJYUOK-JTQLQIEISA-N 369.874 4.601 0 40 FJAB O=C(OCc1nnc(-c2ccccc2)o1)c1sc2ccccc2c1Cl 2618503 BZPOXEIYBZWFJK-UHFFFAOYSA-N 370.817 4.962 0 40 FJAB COc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 2685430 RDKNZUNFKUOBGO-UHFFFAOYSA-N 353.873 4.820 0 40 FJAB CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1C 3235298 VOIRGELYWLIHCC-UHFFFAOYSA-N 372.273 4.721 0 40 FJAB CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)N1CCCCC1)CCCC2 4193658 PWNZQDIWJUPQCS-HXUWFJFHSA-N 369.534 4.556 0 40 FJAB O=C(CCC1CCCCC1)Nc1cccc(C(=O)Nc2nccs2)c1 4941753 VUGHKVGASBBSGN-UHFFFAOYSA-N 357.479 4.694 0 40 FJAB CCc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)cc1 4973323 QSNJCQSTABWIRS-UHFFFAOYSA-N 373.412 4.713 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)NCCc1ccc(Cl)cc1 5442471 UBVJIRMCDCFKAQ-UHFFFAOYSA-N 365.860 4.745 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 5864724 LIHYIBBETSFVLY-UHFFFAOYSA-N 367.474 4.899 0 40 FJAB Cc1ccc(-c2noc(CN(C(=O)c3cc(C)cc(C)c3)C(C)C)n2)cc1 6737015 ASBLTDOIPLGLRP-UHFFFAOYSA-N 363.461 4.713 0 40 FJAB O=C(CCCSc1ccccc1)Nc1nc(-c2ccncc2)cs1 6830903 XCIWRVGDNPYVFN-UHFFFAOYSA-N 355.488 4.716 0 40 FJAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1F 7124227 WHKURNNMEHCIIK-UHFFFAOYSA-N 351.377 4.666 0 40 FJAB CC(C)C(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 8071965 DVQZDBQKCCGISD-UHFFFAOYSA-N 352.887 4.678 0 40 FJAB COc1ccc(C(=O)Nc2cc(C)ccc2NC(=O)c2cccs2)cc1 8189311 BQKPIWZMXWFFKL-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB c1ccc(-n2nc(SCc3ccc(-n4cccn4)cc3)nc2C2CC2)cc1 8278494 ITZCOMJDRMDYCA-UHFFFAOYSA-N 373.485 4.623 0 40 FJAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 8743366 VEOUNEVSQGVECN-UHFFFAOYSA-N 354.435 4.556 0 40 FJAB O=C(NCCCc1ccccc1)N[C@H](c1ccccc1)c1cccs1 8751576 FTOGZJQOTJJLDN-HXUWFJFHSA-N 350.487 4.770 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)o1 8876942 UPRGRQKZROEHAH-GXFFZTMASA-N 374.289 4.531 0 40 FJAB c1ccc(CCc2nnc3sc(-c4ccc5ccccc5c4)nn23)cc1 8990361 HBIRWPFPNLSOCK-UHFFFAOYSA-N 356.454 4.791 0 40 FJAB CCCn1c(NC(=O)c2nc(-c3ccccc3)oc2C)nc2ccccc21 9219546 LRWWDZMSYVVJFA-UHFFFAOYSA-N 360.417 4.662 0 40 FJAB O=C(Nc1ccccc1)c1nc(SCc2ccccc2)ncc1Cl 9418634 BAMKCAHSXCBYAT-UHFFFAOYSA-N 355.850 4.675 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc2ccccc2s1 9711725 OCQGLVVBMNTAGC-UHFFFAOYSA-N 365.380 4.979 0 40 FJAB CCC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 11743443 QFHTZUJNMYULJJ-LJQANCHMSA-N 350.462 4.644 0 40 FJAB COc1ccccc1-c1ocnc1C(=O)Nc1cc(-n2cccc2)ccc1C 12115156 NGZYYVUMGBVONU-UHFFFAOYSA-N 373.412 4.702 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188080 NYXRWMPLULUXLX-IBGZPJMESA-N 364.876 4.837 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)NCCCSc1ccccc1 14184772 NPUYHYGAQIKQBJ-UHFFFAOYSA-N 352.459 4.562 0 40 FJAB O=C(COc1ccc(F)cc1Cl)N[C@H](c1ccc(Cl)cc1)C1CC1 15598854 KTIQLMRGZSADGO-SFHVURJKSA-N 368.235 4.779 0 40 FJAB Cc1cc([C@H]2CCCCCN2C[C@H](C)Cc2ccc3c(c2)OCO3)on1 19120198 OSKRHTGOPLSZQM-CRAIPNDOSA-N 356.466 4.508 0 40 FJAB COc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 19927260 AQKUGCGKWHKXDC-MRXNPFEDSA-N 354.258 4.781 0 40 FJAB CCC[C@H](CN(CCN(C)C)Cc1ccccc1)c1ccc(OC)cc1 22870988 UEQHUGUPZTYFLZ-JOCHJYFZSA-N 354.538 4.643 0 40 FJAB CC[C@H](NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C)c1ccc(C)cc1 24776971 INUAUAZCCPGSJT-WMZOPIPTSA-N 365.473 4.640 0 40 FJAB O=C(CCCc1ccccc1)Nc1cnn(Cc2c(F)cccc2Cl)c1 32609701 RTSSLOSDRRGOLG-UHFFFAOYSA-N 371.843 4.685 0 40 FJAB O=C(CCSc1nccn1-c1ccccc1)Nc1cccc(Cl)c1 32752720 GYIOBYWMFJTYAD-UHFFFAOYSA-N 357.866 4.647 0 40 FJAB Cc1nc(CSCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cs1 32796508 RDMPZVJQQBMWTP-NSHDSACASA-N 354.928 4.606 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38834316 MXQFRNYUDRWNSR-UHFFFAOYSA-N 352.478 4.714 0 40 FJAB C[C@H](NC(=O)Nc1c(F)cccc1F)c1cccc(Br)c1 40097566 OUHHTFZTWPNKQI-VIFPVBQESA-N 355.182 4.610 0 40 FJAB CN(Cc1cccc(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 47338351 PNZWATYFFLREPH-UHFFFAOYSA-N 358.747 4.728 0 40 FJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1Cl)C3 55393839 YJEBDZHXCDBZBG-UHFFFAOYSA-N 369.848 4.751 0 40 FJAB O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1CCc2cc(F)ccc21 56841468 UQUGHKZAYBDZSZ-KRWDZBQOSA-N 353.422 4.758 0 40 FJAB O=C(NCc1ccoc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 58157455 BZMUCLDOEBAHPF-UHFFFAOYSA-N 367.371 4.610 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(-c2nccs2)cc1 58423444 BTHTZVFJYIXCGI-UHFFFAOYSA-N 355.467 4.848 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1C[C@@H]1c1ccc(F)cc1 69974769 AQPIMAOTCWXTBQ-CVEARBPZSA-N 356.397 4.831 0 40 FJAB C[C@H](Nc1nc2ccccc2s1)c1cc(F)ccc1N1CCC(O)CC1 78559912 AFCBUYFUKKCICQ-ZDUSSCGKSA-N 371.481 4.570 0 40 FJAB CC(=O)c1ccc(O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1 78876225 IPTNASGYVVUMNP-CYBMUJFWSA-N 356.809 4.656 0 40 FJAB Cc1nc2ccccc2nc1NCc1cccnc1Oc1cccc(F)c1 84057690 CTZUFDZKPPWBQO-UHFFFAOYSA-N 360.392 4.877 0 40 FJAB CC(=O)Nc1ccc(C)c2c1CCCN2Cc1cc(F)cc2cccnc12 95941534 KTZZQURRXBHDEC-UHFFFAOYSA-N 363.436 4.594 0 40 FJAB O=C(O)/C(=C/c1ccc(N2CCCCC2)o1)Sc1nc2ccccc2o1 211500786 CXMHHKHTUOXVSE-VBKFSLOCSA-N 370.430 4.629 0 40 FJAB Cc1cc(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)cc(C)c1Cl 216785815 CECWJRRNEZJCRC-UHFFFAOYSA-N 371.820 4.637 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969006 AKUJFUWVHADSIQ-UWJYYQICSA-N 351.490 4.909 0 40 FJAB Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(F)cc3)cn2)cc1 223948929 ACHQDALTIFNMPR-UHFFFAOYSA-N 366.465 4.759 0 40 FJAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1Cl 224115875 UFXYYQBYLNRISG-UHFFFAOYSA-N 358.652 4.764 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccccc1 224152983 QNDOAGSPFOXNBM-IRXDYDNUSA-N 371.918 4.974 0 40 FJAB CCOc1ccccc1CNC(=O)CCc1c(Cl)cccc1Cl 225354821 JRTBDRHAFYDWJW-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(SC)c2)cc1C(C)C 225644269 AIHRFUSWAYVCCM-UHFFFAOYSA-N 365.520 4.650 0 40 FJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccccc1 225831183 HCWNTSBACJGGKD-UHFFFAOYSA-N 369.424 4.975 0 40 FJAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Cl)c1 227148114 JMXIRTVLXCQZLP-JXMROGBWSA-N 356.784 4.973 0 40 FJAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OC 237041527 OAIMBUJNWYUEPE-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cccnc3)nn2-c2ccc(C)cc2)cc1 408725052 NVPACZBMNPURFU-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB FC(F)(F)c1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 575606558 HVHMGZMIYXPNLP-UHFFFAOYSA-N 356.307 4.813 0 40 FJAB CC[C@H](C(=O)NCCn1nc(C)c(-c2ccsc2)c1C)c1ccccc1 575615337 NOEAWNVCIQAYOP-IBGZPJMESA-N 367.518 4.538 0 40 FJAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\C[C@H]3CCCO3)c2c1 1892473 ZOZSAWARPRDQIR-HRMOWSKASA-N 363.457 4.751 0 40 FJAB CC[C@H](NC(=O)c1cccc(COCC(F)(F)F)c1)c1ccc(C)cc1 2794447 BHXBGITUDRRUEA-SFHVURJKSA-N 365.395 4.955 0 40 FJAB Cc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 3133358 IVLMEWROCQWBMT-UHFFFAOYSA-N 357.866 4.785 0 40 FJAB C[C@@H]1CCCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)C1 3237214 BMAAKJUTXODQFM-OAHLLOKOSA-N 366.486 4.601 0 40 FJAB C[C@]1(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl 3270254 GTGVWYSXYYMSIO-SJLPKXTDSA-N 363.240 4.738 0 40 FJAB Cc1nnc(SCc2ncc(-c3ccccc3)o2)n1Cc1ccccc1 3445692 CRJGPBYCGKMPAQ-UHFFFAOYSA-N 362.458 4.582 0 40 FJAB Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2cccs2)cc1 4059449 COWVPJPSHXLLSA-SFHVURJKSA-N 353.516 4.660 0 40 FJAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1 4313096 YVDQCZIRVJITFV-UHFFFAOYSA-N 366.309 4.598 0 40 FJAB CC(C)[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 4360105 UERFTSQXRPAUOV-SFHVURJKSA-N 370.836 4.873 0 40 FJAB CC(C)OC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 4848620 YWQMEPDSRBJQFM-UHFFFAOYSA-N 351.471 4.869 0 40 FJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 5136345 QDTGTTFAKVZNBU-UHFFFAOYSA-N 374.843 4.667 0 40 FJAB CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1 5311997 PGZUREYVXCSIKS-UHFFFAOYSA-N 362.458 4.912 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCCC2)cc1 6249208 YIQBEAVOACJGGW-UHFFFAOYSA-N 360.457 4.848 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 6306853 IKLSRYBSTJPLKX-ZDUSSCGKSA-N 362.267 4.980 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4ccco4)o3)o2)cc1 7112521 ATBDCLYPSGUDMT-NSHDSACASA-N 354.391 4.541 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 7238907 ATSAMPPGFLNKAI-KWJFTMPMSA-N 365.473 4.807 0 40 FJAB COc1ccc(SCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1 7737125 IVMLJAXHULSRQA-UHFFFAOYSA-N 358.488 4.978 0 40 FJAB Cc1cccc2cc(CN(C(=O)c3ccccc3Cl)C(C)C)c(=O)[nH]c12 9210302 YPYXMNIRNVMYNA-UHFFFAOYSA-N 368.864 4.541 0 40 FJAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)cc1 9318544 QFVIWISHRVMKQM-HNNXBMFYSA-N 367.836 4.527 0 40 FJAB CCCCc1nc2ccccc2n1Cc1cc(Cl)cc2c1OCOC2 12564668 MAYJJYXNIQSTDV-UHFFFAOYSA-N 356.853 4.947 0 40 FJAB CC[C@@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 12764997 OEVYRDWWLGCQHD-SECBINFHSA-N 353.285 4.866 0 40 FJAB CCc1noc(COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)n1 12768310 AHFDGHOXWBMIRG-UHFFFAOYSA-N 373.412 4.513 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12772180 HFYLDPQGHHRWDD-OAHLLOKOSA-N 364.470 4.834 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)s1)C1(c2ccc(Cl)cc2)CCC1 12862645 LMPVHAYEEFAEIT-UHFFFAOYSA-N 369.877 4.919 0 40 FJAB COc1ccccc1Nc1ccc(NC(=S)Nc2cccnc2)cc1 12970646 DQCZWCUUPIGDGE-UHFFFAOYSA-N 350.447 4.643 0 40 FJAB O=C(CSc1nc(C2CCCC2)n[nH]1)c1ccc(Cl)c(Cl)c1 12984391 JEOPFIGEOHTHEG-UHFFFAOYSA-N 356.278 4.744 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(CC)cc3)cc2s1 17075468 MJLVMGMAXVQHFH-UHFFFAOYSA-N 367.474 4.850 0 40 FJAB Cc1cccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)c1 20101558 JSIWOIUCHBPSFP-MRXNPFEDSA-N 361.420 4.889 0 40 FJAB Cc1sc2nc(-c3ccccn3)nc(N3CCC3)c2c1-c1ccccc1 23618452 HOUILVZPFGBTBT-UHFFFAOYSA-N 358.470 4.939 0 40 FJAB C=C1c2ccccc2NC(=O)N1C[C@@H](c1c(F)cccc1Cl)N(C)C 25057277 ZAZNEOVGFDYXLM-KRWDZBQOSA-N 359.832 4.600 0 40 FJAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1 32769733 HOZSHQKYZSVHIG-UHFFFAOYSA-N 361.445 4.754 0 40 FJAB Cc1cccc(NC(=O)CSCc2nc(-c3cccc(Cl)c3)no2)c1 32779104 SCFLWKSVDSIGRF-UHFFFAOYSA-N 373.865 4.570 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1C 39768702 KYXRJSSSOPLWSV-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cn1 40142442 DXCUDFCNCKLHFD-UHFFFAOYSA-N 360.461 4.551 0 40 FJAB O=C(NCc1ccco1)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 40151214 VALJFVIGQYPISR-UKTHLTGXSA-N 354.409 4.928 0 40 FJAB Cc1ccccc1-c1csc2c(=O)n(CCOc3ccccc3)cnc12 44166955 WTBUNFSONATOGG-UHFFFAOYSA-N 362.454 4.512 0 40 FJAB Cc1cccc(Nc2nnc(SC[C@@H](O)c3cccc(F)c3)s2)c1 65498188 IFJSVNJDZPQCHC-OAHLLOKOSA-N 361.467 4.555 0 40 FJAB COc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348806 PKQRDXMJEWTRQN-HXUWFJFHSA-N 359.473 4.532 0 40 FJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc2c(c1)CCC2 84016911 PFIYTDSAGBVGTJ-UHFFFAOYSA-N 353.416 4.868 0 40 FJAB O=C(O)c1c(C(F)(F)F)c(Cl)c2ccccc2c1Br 95611724 BCPFBEMDAXRNAL-UHFFFAOYSA-N 353.521 4.973 0 40 FJAB C[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 106619252 XWUDSHKMENVOLK-XOKHGSTOSA-N 352.865 4.725 0 40 FJAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C 138825128 HLSGQMVGZODCCS-AWEZNQCLSA-N 351.368 4.578 0 40 FJAB COc1ccc(-c2nc3cc(C)cc(Cl)c3[nH]2)cc1Br 216916573 SHUAPBUSHUPVIT-UHFFFAOYSA-N 351.631 4.963 0 40 FJAB CCOC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl 222635432 ZHKBCYAIGSTQQC-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223433542 REZHNWFAOSRHLM-NRFANRHFSA-N 353.462 4.760 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223718481 JGBDBAGVEHYBQK-GOSISDBHSA-N 369.505 4.563 0 40 FJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224388303 NDIFPMGNFKXLII-IAGOWNOFSA-N 369.490 4.768 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1CSc1ccc(Cl)cc1 224670114 ITROQMYLJZGCFP-UHFFFAOYSA-N 361.894 4.923 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 224885079 PXJCBHLDAYXZFR-ZDUSSCGKSA-N 353.340 4.608 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)CSc2ccccc2)c2ccccc2O1 225010452 YUKUWJRQSMUUHY-GOSISDBHSA-N 355.503 4.978 0 40 FJAB Cc1ccc(NC(=S)Nc2nnc(SCc3ccccc3)s2)cc1 225456858 FODBAOPQTGWKAM-UHFFFAOYSA-N 372.544 4.948 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccccc2C)c1 225754169 RFPCOWOXXCFPHF-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB C[C@@H]1CCCCN1[C@H](C)CNC(=S)Nc1ccc(Cl)cc1Cl 245224813 FODGSWMIZSILCB-VXGBXAGGSA-N 360.354 4.543 0 40 FJAB O=C(Nc1nccs1)[C@H](Sc1cc(F)ccc1F)c1ccccc1 517357796 OFXWDUVIRNCMNO-OAHLLOKOSA-N 362.426 4.893 0 40 FJAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1 1775966747 XEAIKHCBVBNTHE-IAGOWNOFSA-N 371.527 4.820 0 40 FJAB CC1([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 2049238431 SPFIKHYEPDYDPC-GDLCRWSOSA-N 360.538 4.689 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nc3ccc(N)cc3s2)c(C)c1 712828 SENOZVDSVIUAQU-UHFFFAOYSA-N 357.504 4.535 0 40 FJAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 991965 LAVMAUDQBWHFHS-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB C[C@H]1CC(C)(C)C[C@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 1324060 AGFKTPQPFURZHG-KPZWWZAWSA-N 353.384 4.801 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1cccc(F)c1)C3 2216720 HBZNXPDGFXYPKU-UHFFFAOYSA-N 359.784 4.504 0 40 FJAB CC1(C)OC[C@H]([C@@H](c2cc3ccccc3s2)N(O)Cc2ccccc2)O1 3847538 WPEGYFYPHDHZLC-XLIONFOSSA-N 369.486 4.985 0 40 FJAB biogenic Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 4335320 ILACNHXFQIKXEL-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB CCOC(=O)[C@H](Cc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 4909963 AWMMECBMWZSRJW-CYBMUJFWSA-N 363.244 4.759 0 40 FJAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccccc3)cn12 4930841 CNIWDGNXNAUHPB-UHFFFAOYSA-N 369.396 4.902 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 5537377 KJLZJQCJBUQZSC-AWEZNQCLSA-N 374.396 4.560 0 40 FJAB Cc1c(Cl)cccc1NC(=O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)O 5921540 HGOPOJGRIIDOBX-CYBMUJFWSA-N 366.244 4.574 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 5945867 SJPDILZKPRJNQE-UHFFFAOYSA-N 367.355 4.861 0 40 FJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc4ccccc34)ccc12 6421488 PQEUWRCQLBGZPR-HNNXBMFYSA-N 373.408 4.661 0 40 FJAB COc1ccccc1NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 6588286 VHZVJOSFIRLFBH-GFCCVEGCSA-N 358.488 4.690 0 40 FJAB O=CN1[C@H](c2ccccc2)Oc2c(ccc3cccnc23)[C@@H]1c1ccccc1 6616200 WXSCYJKDKAYXAQ-UPVQGACJSA-N 366.420 4.874 0 40 FJAB CCN(CC)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(C)c1 6629914 AMNUIXDEECOYIL-UHFFFAOYSA-N 354.494 4.982 0 40 FJAB Cc1ccc(-c2csc(=S)n2CC(=O)NCc2ccccc2)cc1 7006926 AORHLEYEQTUGTQ-UHFFFAOYSA-N 354.500 4.571 0 40 FJAB COc1cc(C(=O)N[C@@H](c2cccs2)C(C)C)cc(Cl)c1OC 7120684 AWFQMYDSOBYNRK-OAHLLOKOSA-N 353.871 4.546 0 40 FJAB CC(C)c1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1 7653502 XYRZDSSISLCEON-UHFFFAOYSA-N 358.898 4.728 0 40 FJAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cccc(Cl)c1Cl 7878412 ZAZNDLPFWXDXJN-JTQLQIEISA-N 355.290 4.613 0 40 FJAB O=C(NCc1ccccc1CN1CCCC1)c1cc2cc(Cl)ccc2o1 8013005 ALMNIKUHFTZILV-UHFFFAOYSA-N 368.864 4.612 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 8021224 ZRKZLDZQFBTCAE-QWRGUYRKSA-N 368.260 4.811 0 40 FJAB Cc1cc(O)c2c(c1)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 8549452 VZUZGWPYCWZJQF-ZEYGIAOHSA-N 366.501 4.505 0 40 FJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@@H]1c1ccc(F)cc1 9355713 BXISBIORNLRPQT-IBGZPJMESA-N 361.376 4.769 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 9900176 AMXXFMXPJPNLTJ-UHFFFAOYSA-N 362.473 4.563 0 40 FJAB COc1ccc(SCCC(=O)Nc2nc3c(C)cccc3s2)cc1 10219549 LTYJOVXYGBDMTB-UHFFFAOYSA-N 358.488 4.734 0 40 FJAB Cc1c(CNC[C@H]2CCCO2)c2ccccc2n1Cc1ccccc1Cl 10315543 LXPNJZCUPRDNRA-GOSISDBHSA-N 368.908 4.920 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1COc2ccccc2C1 12517137 KLUQPUUAXNTAGM-MRXNPFEDSA-N 370.880 4.520 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2SCc2c(C)noc2C)n1 12523328 XQEMXPXBGDQIAH-UHFFFAOYSA-N 353.447 4.539 0 40 FJAB CCc1ccc(-c2nc(CC(=O)NCc3ccccc3)sc2C)cc1 12733166 JVNDBPYVZKECEE-UHFFFAOYSA-N 350.487 4.540 0 40 FJAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 13000626 IBMYIXDNEZSZNV-XMMPIXPASA-N 370.496 4.687 0 40 FJAB Fc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 13562959 HSBAYIHQSCXMDL-ILBGXUMGSA-N 374.503 4.974 0 40 FJAB Cc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccc(Cl)cc12 13624912 GMWVKZARZSMKCN-UHFFFAOYSA-N 359.794 4.758 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccccc1F 17178261 FMOVKNYDQZRUGW-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB Cc1nn2c(=O)c(Cc3ccccc3Cl)c(C)[nH]c2c1-c1ccccc1 18222468 FJVNROFASJXVQQ-UHFFFAOYSA-N 363.848 4.551 0 40 FJAB CCc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20137573 KCQQTTYXJGBILH-UHFFFAOYSA-N 355.821 4.907 0 40 FJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)NC1CCCCC1 20540770 RSXJXPRKNTWMGA-UHFFFAOYSA-N 360.889 4.656 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)ccn1 22574255 RZGGMOABJQSDET-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ncccn3)c2c1 28227931 JPKFBWGMPOOITR-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2cccnc12 31083637 FNCMQDBRGAAMBK-UHFFFAOYSA-N 364.788 4.555 0 40 FJAB Brc1ccc(-c2ccc(NCCc3ccccc3)nn2)cc1 32593698 AJTBSTBKACBEHP-UHFFFAOYSA-N 354.251 4.561 0 40 FJAB Cc1cccc(-c2noc(-c3cccnc3NCCc3ccccc3)n2)c1 33004322 PJGKCEGFZFUZMK-UHFFFAOYSA-N 356.429 4.762 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1OC 36394084 UAJOAUANTCSIPO-NSHDSACASA-N 368.260 4.810 0 40 FJAB COc1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(OC)cc1Cl 40103660 QWUFVTRBZIFFDL-SECBINFHSA-N 370.783 4.518 0 40 FJAB CCOc1ccc(CCC(=O)Nc2cccc(SC)c2)cc1OCC 44902163 UGCGBPGIVRNCKO-UHFFFAOYSA-N 359.491 4.777 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(Cl)cc1 44946136 GTXSUWLHNBTJCH-IBGZPJMESA-N 359.897 4.863 0 40 FJAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1ccccc1F 60976523 KZRJFTKVTVOBDZ-UHFFFAOYSA-N 362.404 4.749 0 40 FJAB CC1(C)CC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC(C)(C)N1 71796270 WRGNEXHGIKMQKU-UHFFFAOYSA-N 362.945 4.577 0 40 FJAB C=Cc1cc(OC)c(OCc2coc(-c3cccc(F)c3)n2)c(OC)c1 72302604 YGZVIYOXXDDFLG-UHFFFAOYSA-N 355.365 4.720 0 40 FJAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349638 KLSASONOTRVRSD-OAQYLSRUSA-N 362.517 4.877 0 40 FJAB Cc1cccc(CN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c1 72375271 HZMFECFILUAHKF-GOSISDBHSA-N 350.491 4.927 0 40 FJAB C[C@@H]1C[C@H](OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 75279219 QWQRGWMBWMYNRI-PTUXOGIPSA-N 373.581 4.533 0 40 FJAB CC(C)n1ccc2c(C(=O)Nc3nc(-c4ccccn4)cs3)cccc21 95475259 LTMRCYKUQYETHP-UHFFFAOYSA-N 362.458 4.993 0 40 FJAB Cc1[nH]c2ccccc2c1C1=CCN(Cc2ccc([S@@](C)=O)cc2)CC1 97032606 QFTLZZKHTYYLMK-SANMLTNESA-N 364.514 4.503 0 40 FJAB Cc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccc(F)cc3)CC2=Nc2ncnn21 102657033 MFCLOOGMGDEZEY-BTYIYWSLSA-N 374.419 4.791 0 40 FJAB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3nc(C)nn32)cc1 102667629 GGYIQQQKKPGHEG-MGPUTAFESA-N 360.417 4.553 0 40 FJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCC1=CCCCC1 219458904 CDRRDJSUWQXLDD-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 223315303 PDSNBSXUHKKPNO-LJQANCHMSA-N 364.533 4.647 0 40 FJAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1ccc(Cl)cc1Cl 225247896 AWIJSVYFBNWHSG-OVCLIPMQSA-N 369.273 4.786 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1 225309844 GRSABBLFYRXAOO-SFHVURJKSA-N 373.880 4.700 0 40 FJAB Cc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225372579 IJPNBDSBVJZNGV-UHFFFAOYSA-N 350.289 4.983 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CCSc3ccccc3)s2)cc1 225418641 APYUNFARXXFXJJ-UHFFFAOYSA-N 355.488 4.634 0 40 FJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225748213 MKCPSHITBFAHHX-IBGZPJMESA-N 371.905 4.679 0 40 FJAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl 226261262 BISPSVKFDWOXEK-UHFFFAOYSA-N 352.265 4.674 0 40 FJAB C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc2ccccc12 1628320905 TUCLXZBJQOHYQU-AWEZNQCLSA-N 359.404 4.860 0 40 FJAB CCCSCc1nnc2sc(Cc3cccc4ccccc34)nn12 1775972233 PQYODRVGUCMXOC-UHFFFAOYSA-N 354.504 4.573 0 40 FJAB O=C(O)C[C@H](c1ccc(Cl)cc1)[C@H](CC(=O)O)c1ccc(Cl)cc1 1713626 GUQHSNHAMGACCO-HZPDHXFCSA-N 367.228 4.810 0 40 FJAB Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(N2CCCCC2)n1 2277523 YFVHQTUVHCXLKK-UHFFFAOYSA-N 374.492 4.966 0 40 FJAB COc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2284855 ZHSZBOURRKFOKM-UHFFFAOYSA-N 352.397 4.644 0 40 FJAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)c1cc(C)c(C)cc1C 2362584 JTCWXINDICKQQN-UHFFFAOYSA-N 370.836 4.785 0 40 FJAB c1ccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 2616291 IGBZHRPTMHKWGE-UHFFFAOYSA-N 367.459 4.624 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1Cl 2646071 SRAKMVQBASSKQN-UHFFFAOYSA-N 363.642 4.765 0 40 FJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(Cl)cc1 3247246 IMHMSDGEWBYLLZ-RUDMXATFSA-N 368.738 4.798 0 40 FJAB O=C(OCC[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 3845696 MOPMQHZBNQGXMO-OAQYLSRUSA-N 360.409 4.832 0 40 FJAB biogenic O=C(Nc1ccc(C[S@](=O)c2ccccc2)cc1)c1ccc(F)cc1F 4090617 UGTOQQQLWDSWNN-AREMUKBSSA-N 371.408 4.525 0 40 FJAB CCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1F)CCCC3 4746725 PBTUETNWDWHRDM-UHFFFAOYSA-N 352.405 4.952 0 40 FJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccc(C)cc3)c12 4888799 JCQSOXKEFJUXDX-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)C(C)(C)C)[nH]c(=O)c12 5271972 UYSYXNMXZJEOQN-SNVBAGLBSA-N 366.552 4.589 0 40 FJAB CCOC(=O)c1ccc(Oc2nc(C)nc3sc4c(c23)CCCC4)cc1 5461749 QNJKWVRHZMDNGT-UHFFFAOYSA-N 368.458 4.848 0 40 FJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(-n2cccn2)cc1 6604839 VZRJSPHMOCLWDC-DHZHZOJOSA-N 366.424 4.690 0 40 FJAB CC(=O)c1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1 6822728 LDKVFTBNMHCQFA-UHFFFAOYSA-N 358.441 4.531 0 40 FJAB CC[C@@H]1CCc2sc(C(=O)OCC(=O)c3cc(C)ccc3C)cc2C1 6875584 DYKHLTLKVIEZNJ-OAHLLOKOSA-N 356.487 4.920 0 40 FJAB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)Nc3ccccc32)c1C 6964128 JXIWVTXNHSJPHN-XDHOZWIPSA-N 373.412 4.803 0 40 FJAB CCc1cccc2c(C(=O)CSc3ccc(NC(C)=O)cc3)c[nH]c12 7027766 DCFNSGXJESAVSU-UHFFFAOYSA-N 352.459 4.664 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(CN(C)c3ccccc3)[nH]c(=O)c12 7503568 LXLNOZAZGHXCLQ-CYBMUJFWSA-N 355.507 4.518 0 40 FJAB COc1cc(NC(=O)c2cccnc2Sc2ccccc2)cc(OC)c1 7786080 BCRJJWWXLPVAJK-UHFFFAOYSA-N 366.442 4.502 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(F)c(Cl)c2)c1C 7819571 MAAYBRJVQYBKFZ-LLVKDONJSA-N 353.846 4.990 0 40 FJAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H]1c1cccs1 8343768 XUVLYIKSRIURLY-KRWDZBQOSA-N 353.443 4.897 0 40 FJAB Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 8345082 LBCICPFPUJWOSS-KRWDZBQOSA-N 369.490 4.588 0 40 FJAB Clc1snnc1CN1CCCC[C@H]1c1nc2ccccc2s1 8402305 AHXQREKQQVPOMB-LBPRGKRZSA-N 350.900 4.528 0 40 FJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(Cl)c2)c1 10028928 VBLDJEHQTRZBBD-UHFFFAOYSA-N 372.881 4.517 0 40 FJAB COc1ccc(N(C(=O)Nc2ccccc2OC)C2=NCCC2)cc1Cl 10165970 PAHBPCSCNGVRMY-UHFFFAOYSA-N 373.840 4.588 0 40 FJAB O=C(CNc1ccccc1Sc1ccccc1)NCc1cccs1 11619723 ZMLUKKQQNFDPPF-UHFFFAOYSA-N 354.500 4.628 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)cc1 12407023 QSRQWCVQBAUQSF-AWNIVKPZSA-N 363.417 4.521 0 40 FJAB CC[C@@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(C)cc1 12784640 YBDGXTMZEDHSNS-MRXNPFEDSA-N 356.491 4.595 0 40 FJAB COc1ccccc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 12999357 WZNFTRZPOPUEGU-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 12999627 NLCBSRNLQSNJSS-AWEZNQCLSA-N 356.878 4.970 0 40 FJAB CC(C)CCC(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 13611091 QDCXCFPPYWBGJN-UHFFFAOYSA-N 374.444 4.757 0 40 FJAB O=C1C[C@@H](/C=C/c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 14164302 YVXDUEXYCVOAIE-OFAQMXQXSA-N 371.465 4.941 0 40 FJAB CSc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 14184299 CWICLPAPLOVRKI-UHFFFAOYSA-N 369.486 4.722 0 40 FJAB CCOc1ccc(-c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 14229051 OIENJYKJHHYXIW-UHFFFAOYSA-N 371.458 4.902 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)cc1 16162136 SHZNUSYDEPXUNK-UHFFFAOYSA-N 374.419 4.683 0 40 FJAB COc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)cc1OC 17198532 WJVSPNOYWXTGRY-HXUWFJFHSA-N 357.475 4.606 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccs1 18201806 ZINIYVSYHYEQBN-LBPRGKRZSA-N 371.980 4.932 0 40 FJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)cc2c1C 19576801 AARJKDNCNFSGMA-KRWDZBQOSA-N 372.472 4.681 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)OC/C=C/c1ccccc1 21792913 KALLMZYECMGWQW-QPJJXVBHSA-N 351.377 4.670 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 22509301 RYJMPJXNYMCTGV-LJQANCHMSA-N 369.461 4.585 0 40 FJAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1N1CCCC1=O 29221291 YZSJERZZDZVCOW-UHFFFAOYSA-N 362.473 4.572 0 40 FJAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cccc(C(F)(F)F)c1 32027841 AMJAGYPDCMERDW-UHFFFAOYSA-N 359.307 4.540 0 40 FJAB COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)c(OC)c1 32676078 KQGJNWWIBMGRNZ-UHFFFAOYSA-N 361.441 4.859 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cn2ccnc2)cc1 38834436 YZHUAPWOHCLGTE-UHFFFAOYSA-N 369.424 4.976 0 40 FJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(F)c(Cl)c1 39968779 APAOJCKAKNLWPU-QGZVFWFLSA-N 364.873 4.852 0 40 FJAB CC[C@H](C(=O)N(C)Cc1nc2ccccc2n1C(F)F)c1ccccc1 40052473 LEMLIFBHBRQFAV-HNNXBMFYSA-N 357.404 4.584 0 40 FJAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2)N1CCc1ccccc1 40485544 GCYOMUAKIBBXHK-JOCHJYFZSA-N 355.437 4.782 0 40 FJAB biogenic O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 40485951 PDEWULOENHNRMY-IBGZPJMESA-N 365.816 4.986 0 40 FJAB Cc1cc(N)cc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 45890430 QQAQLRRWPZDSPC-LLVKDONJSA-N 353.249 4.598 0 40 FJAB Cc1cc(F)ccc1-n1nnc(-c2nc(-c3ccccc3)cs2)c1C 67341670 VEHHEIGKCQFAMR-UHFFFAOYSA-N 350.422 4.814 0 40 FJAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1cccc2[nH]ccc12 71288191 GFNIGMVQCKTLTH-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB C[C@H](SCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1 71818625 ZHHZCDHRABHVDE-NSHDSACASA-N 352.550 4.552 0 40 FJAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2cccs2)no1 71868919 POKWJQRWWCXMAR-VIFPVBQESA-N 373.438 4.576 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72229843 YQTKUSALRWBQOF-HXUWFJFHSA-N 351.833 4.982 0 40 FJAB Cc1cc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1C 78613110 RTGZIUUQYYQQTF-UHFFFAOYSA-N 365.380 4.815 0 40 FJAB CC(=O)c1ccc(-c2ccc(C(=O)N(C)[C@@H](C)c3cccc(O)c3)o2)cc1 84656215 LUOARLCDEPTSEC-AWEZNQCLSA-N 363.413 4.688 0 40 FJAB CCOc1ccccc1-c1cccc(C(=O)N(C)c2c(C)noc2C)c1 93239739 CTEPWKCCCINJQH-UHFFFAOYSA-N 350.418 4.634 0 40 FJAB Cc1cccc2sc(NC(=O)CCn3ncc4ccc(Cl)cc43)nc12 96181994 WVYGLCLUTQDBJQ-UHFFFAOYSA-N 370.865 4.637 0 40 FJAB CC(C)n1cc(C(=O)Nc2nc(-c3ccccn3)cs2)c2ccccc21 96232336 BWGGNAJVNBKGGF-UHFFFAOYSA-N 362.458 4.993 0 40 FJAB Cc1ccc([S@](=O)(=NC(=O)c2ccccc2)Oc2ccccc2)cc1 103437786 WGNAYXYMNHTZTR-RUZDIDTESA-N 351.427 4.656 0 40 FJAB Cc1ccc(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)c(C)c1 107869394 MOCXMUSLELHRDA-UHFFFAOYSA-N 363.457 4.868 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc2ccccc12 222872549 OSPMAMJLLHOTIO-HXUWFJFHSA-N 353.849 4.967 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C 223495768 CYUBQWRADYMGDD-SFHVURJKSA-N 351.490 4.747 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1cc(C)cc(C)c1C 224273745 NTCFDTOLIJQVMR-UHFFFAOYSA-N 355.478 4.585 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224888326 BICRTAJZGLTLHA-OALUTQOASA-N 367.449 4.608 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224965925 GPVRSPHAKOSOLY-OAHLLOKOSA-N 358.869 4.736 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2Cl)c(I)c1 225009718 QPIDESDABCWCSW-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 225641252 PVAJOEDQHAOWPS-LBPRGKRZSA-N 352.862 4.541 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814662 HGBFASDKYSJJFG-UHFFFAOYSA-N 363.461 4.741 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1C[C@H](C)C[C@@H](C)C1 226330202 OLHRZCSWUGSHOF-ZIAGYGMSSA-N 371.912 4.965 0 40 FJAB C[C@@H]1C[C@H](NCc2ccc(NC(=O)c3ccncc3)cc2)c2ccccc21 573351149 OLLZJPDXVNBLKI-ZHRRBRCNSA-N 357.457 4.672 0 40 FJAB O=C(CCC(=O)NC1CCCC1)Nc1cccc(Sc2ccccc2)c1 677304911 FNJJWGWARAXSPL-UHFFFAOYSA-N 368.502 4.615 0 40 FJAB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 793452 BZUWKVNNAPUODG-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB COc1ccc(OCc2nnc(SCc3ccccc3Cl)o2)cc1 876111 FQNCCKYZXIZTDT-UHFFFAOYSA-N 362.838 4.603 0 40 FJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 1255622 MTOYQKNLBBCXBF-ZDUSSCGKSA-N 360.910 4.909 0 40 FJAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)c2ccc(F)cc2)s1 1345326 WTFFGZPESAHDAL-UHFFFAOYSA-N 369.465 4.955 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2)c1 2362949 TZMJVMXAFXOHBG-JTQLQIEISA-N 354.233 4.502 0 40 FJAB O=c1c2c(-c3ccc(F)cc3)csc2[nH]c(=S)n1-c1ccccc1 3616457 FXXZIUCIHLILLW-UHFFFAOYSA-N 354.431 4.916 0 40 FJAB Cc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)o1 4085562 LUHJHVPLHDFGIU-JTSKRJEESA-N 354.409 4.760 0 40 FJAB biogenic CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccco3)nc12 5264854 CPUXQPAVRFLOAO-UHFFFAOYSA-N 363.442 4.694 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc(F)cc3s2)c1 5738090 AJAFYAIUMKMLCF-UHFFFAOYSA-N 358.438 4.885 0 40 FJAB COc1ccc(-n2c(SC[C@H]3CCCCO3)nc3ccccc32)cc1 6553051 LVQDPTCHVBPPCO-QGZVFWFLSA-N 354.475 4.695 0 40 FJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2ccccc2o1 6935681 FWTGONWCOMQMRM-UHFFFAOYSA-N 367.455 4.829 0 40 FJAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cs1 7909212 JFMDJDGAZWNVKW-CQSZACIVSA-N 352.459 4.522 0 40 FJAB O=C(NCc1ccccc1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 8569834 WJZPATFDIBBWKO-FQEVSTJZSA-N 374.465 4.978 0 40 FJAB CC(C)CSc1nnc(S[C@@H](C)C(=O)Nc2ccccc2F)s1 8735429 FBFKBGQWVKBQHG-JTQLQIEISA-N 371.528 4.545 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(O)c2ccccc12 10321151 OHDSMQBBLAKIMH-UHFFFAOYSA-N 358.397 4.772 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 10507227 GYNTUUMENDDLTR-UHFFFAOYSA-N 360.417 4.833 0 40 FJAB COc1ccc(-c2cc(NC(=O)c3cc(F)cc(F)c3)ccc2OC)cc1 12034657 KIFRJYMPIIARGR-UHFFFAOYSA-N 369.367 4.901 0 40 FJAB CCOc1ccc(NCc2cc3cc(C(C)(C)C)ccc3[nH]c2=O)cc1 12144309 KIRVPEVIXOXWHI-UHFFFAOYSA-N 350.462 4.836 0 40 FJAB O=C(C(c1ccccc1)c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 12389467 QOVYGBXGFMXQKF-UHFFFAOYSA-N 366.464 4.885 0 40 FJAB CN(Cc1ccccc1NC(=O)COc1cccc(F)c1)C1CCCCC1 12729296 SSFUGLDXMFFQAT-UHFFFAOYSA-N 370.468 4.608 0 40 FJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(nc3ccccc32)N1 13634804 AIIJYJPVSULLPR-GOSISDBHSA-N 367.474 4.730 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1C 14269000 GASDNTGIBSBXDZ-GOSISDBHSA-N 352.478 4.700 0 40 FJAB CCCOc1ccccc1C(=O)Nc1ccc(OCC)c2ncccc12 15840866 FITQZAXRGXJBED-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB CC1CCN([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)CC1 15860056 MHJUMMCMHHRVBI-HXUWFJFHSA-N 368.521 4.780 0 40 FJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1ccc(C)cc1 16032478 MRYHAXJYGJIWLN-OEMFJLHTSA-N 365.517 4.872 0 40 FJAB biogenic COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)cc1 16339276 XONUZQHUCVVROD-GOSISDBHSA-N 369.852 4.736 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 18708905 NEGRIUXOMDOHFM-UHFFFAOYSA-N 360.910 4.812 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 20484741 PAWPRSVNLASLHG-HNNXBMFYSA-N 368.658 4.899 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 24961379 JRHIETNTOCLYCZ-MRXNPFEDSA-N 366.436 4.908 0 40 FJAB Cc1cccc(C(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)c1C 25054536 ICYGUGVZOQDBLE-UHFFFAOYSA-N 368.458 4.651 0 40 FJAB CSc1nc2ccccc2n1C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 27023467 VGBMWUXCHDPMGQ-RNCFNFMXSA-N 355.290 4.990 0 40 FJAB Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1Cc1ccccc1 27065652 VOYBGVXDILQRCT-UHFFFAOYSA-N 371.484 4.607 0 40 FJAB Cc1ccccc1NC(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28579728 UIJNWDWBWPRSHM-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB O=C(Nc1cccc(F)c1)Nc1nn(Cc2ccccc2F)cc1Cl 32609659 FOBKAHZLIDULOU-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB O=C(NCCCN1CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 34861176 KKBAEFPDEVEUQN-UHFFFAOYSA-N 373.500 4.508 0 40 FJAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Nc1ccccc1 36633724 KKRKBSJCBZQDEG-UHFFFAOYSA-N 356.403 4.829 0 40 FJAB Cc1nc(CSCCC(=O)Nc2ccc(C)c3ncccc23)cs1 40069904 QYRVMXYJGJJZFX-UHFFFAOYSA-N 357.504 4.570 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 44947124 CQTKNUHUTJBHPU-WIYYLYMNSA-N 369.505 4.983 0 40 FJAB COc1ccc([C@H](NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 58169394 JZWBFYPNTWEHFQ-XMMPIXPASA-N 374.484 4.630 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3C[C@H]3c3ccncc3)ccc21 58248707 MTQPAAPRNRESIW-ICSRJNTNSA-N 355.441 4.952 0 40 FJAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)c[nH]1 60194831 UPNAOWFLDDXTBZ-GFCCVEGCSA-N 359.351 4.587 0 40 FJAB COc1ccc(CCN2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)cc1 72353038 UEFFEHILEAAKHS-JOCHJYFZSA-N 374.488 4.608 0 40 FJAB COc1ccccc1NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 95956633 VVSUKFSQSRWXTQ-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 101464056 BQPYTAHDNRGLSY-JSNMRZPZSA-N 361.441 4.797 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 218964837 XNPRIHMUXVXOIW-UHFFFAOYSA-N 352.261 4.614 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222665192 ZKDPPYZAYOGUHM-UHFFFAOYSA-N 360.457 4.549 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1C 223713340 IFHARKPSMGVOCS-SFHVURJKSA-N 369.505 4.563 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(Cl)c(C)c1 224208457 PCJMPAIYTLIYRQ-UHFFFAOYSA-N 373.880 4.862 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)c1 224288530 GXQRXSVZTRRFNQ-OALUTQOASA-N 365.527 4.937 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 224680018 ZQQUTOSUIQJLGO-RTBURBONSA-N 369.505 4.778 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225182477 NIZAMVXRHZTEMW-UHFFFAOYSA-N 357.504 4.761 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2cc(C)ccc2C)c2ccccc2O1 225309910 DMFKFGRNBZFZPD-LJQANCHMSA-N 367.489 4.881 0 40 FJAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1C 408563705 WSENMUBVMFJTDV-XDOYNYLZSA-N 354.450 4.734 0 40 FJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 408629142 ZZZWZUZDVYVHPE-INIZCTEOSA-N 367.518 4.501 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409127937 HDYRFKCXEVDWLF-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc2oc(C(=O)O)cc2c1 565102979 JYJLVPZSFBSPNI-CXAGYDPISA-N 353.393 4.648 0 40 FJAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccccc1 585147854 DDWIEEOSINJYOA-CVEARBPZSA-N 371.527 4.820 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1 585148081 NJCHCMMGWIESRX-VIFPVBQESA-N 369.920 4.655 0 40 FJAB Cc1nsc(NC(=O)c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 608304 ZPBLNADJHWHOEP-UHFFFAOYSA-N 371.849 4.610 0 40 FJAB in-man CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c(C)c1 683080 NSOBDKOYJVEQKU-SFHVURJKSA-N 354.494 4.864 0 40 FJAB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C2 1432760 KEXZTAHNMDJXFD-ABKXIKBNSA-N 359.775 4.693 0 40 FJAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccccc3C)cc12 1477194 DOCQIAJCZARQAB-UHFFFAOYSA-N 365.429 4.674 0 40 FJAB CCCCCc1nc2scc(-c3ccc(OC)c(OC)c3)c2c(=O)o1 2060397 CVNXKVZQXHPKPN-UHFFFAOYSA-N 359.447 4.666 0 40 FJAB CCn1cc([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 2206146 YWDTVWVZXASVKZ-HXUWFJFHSA-N 368.436 4.862 0 40 FJAB CCCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccc(C)cc3nc21 2450460 OCOHBHBVLHDZPW-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NC1CCCC1)c1ccccc1 3344842 ITGKIXSJWAOOJF-GOSISDBHSA-N 362.395 4.917 0 40 FJAB CCOc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1OCC 3422483 FYYPDJJLOUDJFC-UHFFFAOYSA-N 370.474 4.665 0 40 FJAB COc1cccc2c1OC1(CCCCC1)N1N=C(c3cccs3)C[C@@H]21 4715936 ZWPMELSVVMJAKX-INIZCTEOSA-N 354.475 4.961 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1C 5518252 VQYDXDNNDKJBCR-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB CC(=O)Nc1ccc(SCc2nc(-c3cccc(Cl)c3)no2)cc1 7182454 WVALMJJZIGBZLN-UHFFFAOYSA-N 359.838 4.641 0 40 FJAB O=C(CCC(=O)c1cccs1)Nc1ccc(N2CCCCCC2)cc1 7227020 HYGBCXXNVBFORS-UHFFFAOYSA-N 356.491 4.730 0 40 FJAB COc1cc(CNc2cccc(Cl)c2)cc(Br)c1OC 8206711 FWPPAXUMHNSNMT-UHFFFAOYSA-N 356.647 4.732 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2ccccc2)cc1 8312478 GDDDPCHLOINKJP-UHFFFAOYSA-N 372.468 4.681 0 40 FJAB Cc1ccc2nc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)[nH]c2c1 8686411 UUGOZJOHEGMUGL-WMLDXEAASA-N 365.502 4.546 0 40 FJAB aggregator CCCc1ccc(OCCN2CCCC[C@H]2c2cccnc2)c(OC)c1 8739201 ALSNXLQLDUXAAR-FQEVSTJZSA-N 354.494 4.649 0 40 FJAB biogenic Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 12136939 CRUSMMQLFNEZJS-QGZVFWFLSA-N 358.441 4.738 0 40 FJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1cccs1)CC3=O 12408070 ONEJUEJNFCHRNA-CQSZACIVSA-N 354.427 4.822 0 40 FJAB Cc1cccnc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12609768 PICWZFFBLJIGEN-UHFFFAOYSA-N 373.865 4.640 0 40 FJAB O=C(/C=C/c1ccc(/C=C/C(=O)Nc2ccccc2)cc1)Nc1ccccc1 13402611 KHRMJDYXCLYDOY-YTEMWHBBSA-N 368.436 4.990 0 40 FJAB Cc1ccccc1C1=N/C(=C\c2ccccc2OCc2ccccc2)C(=O)O1 13927366 DOTYYGSLZYPBFE-QNGOZBTKSA-N 369.420 4.919 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3cc(C)nc4onc(C)c34)n2)cc1 14213656 CXWCZMUTIDNQDW-UHFFFAOYSA-N 364.430 4.524 0 40 FJAB O=C(Cc1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 18120453 UOGVANXRQGSBMG-UHFFFAOYSA-N 354.397 4.548 0 40 FJAB Cc1ccccc1N/C=C1/C(=O)N(c2ccccc2C)C(=O)c2ccccc21 18129672 FDDRGKQXXFMUGZ-HMMYKYKNSA-N 368.436 4.943 0 40 FJAB Clc1ccc(CNc2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)cc1 19334748 CTICUJXFKQSCGX-SFHVURJKSA-N 366.852 4.656 0 40 FJAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1cccc2ccccc12 22787609 GFCMZVHUPIEGMT-OAHLLOKOSA-N 351.446 4.716 0 40 FJAB COc1ccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 23909170 FSEOBARBLMICGZ-QHCPKHFHSA-N 370.452 4.890 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 23973446 WSCCOCPVBRAXCR-LBPRGKRZSA-N 372.881 4.553 0 40 FJAB Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 24383897 BZFYNFCUBVTBGW-KRWDZBQOSA-N 366.486 4.737 0 40 FJAB Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 27740133 UFMGTLJHSNEWOV-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB C[C@@H](Sc1nc2ccccc2n1C(F)F)c1nc(C(C)(C)C)no1 30028894 JKBJUGMYKLPLKE-SECBINFHSA-N 352.410 4.965 0 40 FJAB CN(C(=O)CSCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 32778860 VVFMCWWWGXNPFV-UHFFFAOYSA-N 372.490 4.845 0 40 FJAB CCn1c2ccccc2n2c(SCCOc3ccc(Cl)cc3)nnc12 33373497 PLPQWJNWTCEYOP-UHFFFAOYSA-N 372.881 4.528 0 40 FJAB Cc1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)s1 36635994 GGLKYFHNOUMIQH-UHFFFAOYSA-N 354.218 4.666 0 40 FJAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(C)c(C)c1 44856569 NKZFYYZHUGQSAK-QFIPXVFZSA-N 361.489 4.738 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCC(COCc2ccccc2)CC1 49447549 LFBAIFVVJVVDGM-UHFFFAOYSA-N 358.869 4.801 0 40 FJAB C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(-c2cccnc2)on1)C1CC1 49653855 BHOFSILRYNQKFT-ZDUSSCGKSA-N 367.836 4.756 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCn2cccc2[C@H]1c1ccccc1 51454222 GANKSERSBYTWJW-LJQANCHMSA-N 351.837 4.779 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)c2cccs2)cc1 57470810 DTCOOPGRQHHQRT-OXJNMPFZSA-N 350.487 4.763 0 40 FJAB CS(=O)(=O)c1ccc(OCc2sc3ccccc3c2Cl)cc1 58377482 BKHPKTLBYKSYCV-UHFFFAOYSA-N 352.864 4.537 0 40 FJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cnn(-c2ccccc2F)c1 58673193 KPJNTXROXAQDSR-UHFFFAOYSA-N 365.408 4.585 0 40 FJAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OC 59369200 GFWJUTKXUQEQLV-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)CC[C@H]3CCCO3)s2)c(C)c1 60338828 ODTRANUSEBYZFJ-NVXWUHKLSA-N 372.534 4.813 0 40 FJAB CCC[C@@]1(C)CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 72303842 QHIJDMIZPIDBIM-FQEVSTJZSA-N 363.929 4.817 0 40 FJAB Cc1csc([C@@H](Cc2ccsc2)NCc2cc3c(cc2C)OCO3)n1 72341782 UFOGNRGKMGYMNO-MRXNPFEDSA-N 372.515 4.624 0 40 FJAB O=C(/C=C/c1cc2ccccc2o1)N[C@H]1CCOc2c(Cl)cccc21 84594935 WXSIQJSAGRFBBU-IJDCCNJMSA-N 353.805 4.739 0 40 FJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCCCCCC3)s2)cc1 84809400 PMZTZLGIPDKZJK-UHFFFAOYSA-N 358.507 4.924 0 40 FJAB CCc1ccc(C(=O)NCCc2csc(-c3ccccc3Cl)n2)o1 89286568 ORQFOARFYLQMDP-UHFFFAOYSA-N 360.866 4.591 0 40 FJAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@H](c2ccc(O)cc2)SC1 95477896 IUCHYAVRGCBGRD-KRWDZBQOSA-N 371.849 4.656 0 40 FJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccc(F)cc1Cl 215262609 JRPAZPCOCABYDK-VIZOYTHASA-N 365.788 4.855 0 40 FJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223660483 IPTGRXOLTPJXHL-UHFFFAOYSA-N 365.882 4.553 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc(C)c1 224459225 BYCPEDSIYDOEPM-QFIPXVFZSA-N 363.457 4.501 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224897160 LKZYBFSHSHQEFL-CQSZACIVSA-N 350.418 4.546 0 40 FJAB CCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225863526 ZZXAIWOANFXTNN-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)c(C)c1 225864948 JQQCWZQJYLDVFP-UHFFFAOYSA-N 372.490 4.521 0 40 FJAB CCOc1cccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)c1 408813521 NKIXYJQLHVUJHG-UHFFFAOYSA-N 373.885 4.810 0 40 FJAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1624344506 JJXQTXNSOMARLX-DYVFJYSZSA-N 368.481 4.950 0 40 FJAB Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 1427369 MHAASGNLDZQMKY-UHFFFAOYSA-N 370.474 4.748 0 40 FJAB CCCCOc1ccc([C@@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 1829743 BHWJEAFQJWQLOS-DHIUTWEWSA-N 353.506 4.779 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 2278880 ZGLYGCXSWAXGLY-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB NC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 2649100 DTACRNVSKVUHBO-UHFFFAOYSA-N 365.241 4.559 0 40 FJAB O=C(NC(Cl)=C(Cl)Cl)O[C@@H](Cc1ccccc1)C(F)(F)F 3120282 IWSFGMPNYCEEAS-QMMMGPOBSA-N 362.562 4.729 0 40 FJAB COc1cc(-c2nnc(-c3cccc4ccccc34)o2)cc(OC)c1OC 3399440 URVZCOYNJVGPSQ-UHFFFAOYSA-N 362.385 4.583 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Nc1ccccc1 3405438 KCIXZSGJNHXJKO-UHFFFAOYSA-N 373.456 4.519 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1I 3553939 IJMVQDCDDGWZJF-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB COc1ccc(NC(=S)N2CCC(CCc3ccccc3F)CC2)cc1 4709739 OXCMZENOPKIIKM-UHFFFAOYSA-N 372.509 4.876 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1C 5099351 USCREHJQUJHSKO-UHFFFAOYSA-N 374.440 4.742 0 40 FJAB Cc1ccc(-c2c(NC(=O)c3cccs3)n(C)c3ccccc3c2=O)cc1 5205323 ACEYDSUTIIIUGW-UHFFFAOYSA-N 374.465 4.828 0 40 FJAB C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)cc4)c(=O)c23)C1 5988223 BQMRXAOJEZHEDS-SECBINFHSA-N 362.907 4.888 0 40 FJAB CC(C)[C@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 6664304 QVRAZYWIFMRXGD-UGSOOPFHSA-N 355.869 4.833 0 40 FJAB COc1ccc(C(C)=O)cc1COc1ccc(C(=O)c2ccccc2)cc1 6909897 KKEXUCWCZURERP-UHFFFAOYSA-N 360.409 4.708 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4ccc(F)cc4)c(=O)c23)s1 8193246 SSSVEHKNHPEIQK-UHFFFAOYSA-N 356.447 4.682 0 40 FJAB CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccc(OC)c1 8772429 JWECSSIWQWKAKL-DHZHZOJOSA-N 351.475 4.779 0 40 FJAB Cc1ccc(C)c(CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 8822818 FVDLAJDOAUBFLF-UHFFFAOYSA-N 369.515 4.628 0 40 FJAB COc1ccc(C)cc1CN(C)C(=O)c1sc(-c2cccs2)nc1C 9918767 JIHARYKKQAGJLR-UHFFFAOYSA-N 372.515 4.769 0 40 FJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 10009789 XMTUPBUWTIIJQG-UHFFFAOYSA-N 364.489 4.547 0 40 FJAB O=C(c1ccc(Cl)s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12598978 RGBZPARAJNBSSB-ZDUSSCGKSA-N 363.866 4.540 0 40 FJAB CCC(=O)Nc1ccc(-c2nc(-c3cc(F)ccc3OC)cs2)cc1 12738388 RPNPKRBRGJEWRI-UHFFFAOYSA-N 356.422 4.973 0 40 FJAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1Cc1ccccc1 12793727 UACNHKVJYUORQS-UHFFFAOYSA-N 367.452 4.644 0 40 FJAB Cc1nc(COc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)cs1 12995800 ZRYFCTSTXMHXGH-OAHLLOKOSA-N 366.486 4.864 0 40 FJAB Cc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1C 13331262 WNDVOBBFHWEPFY-UHFFFAOYSA-N 366.440 4.948 0 40 FJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccccc1Cl 13681969 KKUIWCHKBZIVQQ-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2Cl)c1 14258467 YKBRQQUSEVVKSK-UHFFFAOYSA-N 351.233 4.903 0 40 FJAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)s1)N1CCOCC1 16488045 GWOZOCUKYPFDIA-UHFFFAOYSA-N 364.470 4.690 0 40 FJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCCC3)CC[C@H]21 19081602 OMNNJOJCBIYCCY-VAMGGRTRSA-N 374.594 4.743 0 40 FJAB Cc1ccc(-n2cc(CNc3ccc(-n4nc(C)cc4C)cc3)cn2)cc1 19715470 UUHZJGSOKZNFHB-UHFFFAOYSA-N 357.461 4.595 0 40 FJAB CCN1CCN([C@H](c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)CC1 19902629 MPSRXGBBGHMKMG-JOCHJYFZSA-N 367.924 4.857 0 40 FJAB O=C(Nc1cnc(-c2ccccc2)nc1)c1occc1COc1ccccc1 22282463 CWWLZKKSDXYGHB-UHFFFAOYSA-N 371.396 4.568 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccco1 23723412 VNCSZWVYWRDHJA-MRXNPFEDSA-N 364.832 4.976 0 40 FJAB Clc1ccc(CO[C@@H](CN2CCOCC2)c2ccccc2)c(Cl)c1 31912448 SOVGXSDOPRUICL-IBGZPJMESA-N 366.288 4.584 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 38834734 UFUJWELZHDCKHO-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccccc2Cl)on1 40086764 YWMQBDWWJBVBRZ-UHFFFAOYSA-N 364.735 4.849 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44933552 GDTNVMDIOZZKDY-RBUKOAKNSA-N 350.506 4.718 0 40 FJAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 64290746 PIJWLNCBGSMYRD-UHFFFAOYSA-N 362.429 4.824 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 72288763 GVLHGSSVYKWQPS-DLBZAZTESA-N 365.477 4.570 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]1Cc1ccccc1 84068094 CILOIYADPPGNHB-HXUWFJFHSA-N 358.485 4.628 0 40 FJAB Cc1c(F)cc(N)c(OCc2ccccc2)c1C(=O)Oc1ccccc1 113148730 DKVGPXIDZBAHMN-UHFFFAOYSA-N 351.377 4.515 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)[C@@H](C)Oc2cccc(F)c2)cs1 208007737 YTZRWMCOEKYBCL-GFCCVEGCSA-N 356.422 4.664 0 40 FJAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C(C)C 224562014 XLEGCUSUYCIPRP-UHFFFAOYSA-N 355.478 4.926 0 40 FJAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224644139 CVNJKXXFQQWFSE-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 224994412 SGMJTUVPXBIHBQ-UHFFFAOYSA-N 371.786 4.833 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 225370993 MTUXZADEISCXSP-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB CC(C)Oc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225445942 NEMNSPUREWEZCC-UHFFFAOYSA-N 368.424 4.979 0 40 FJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225887301 VNOLTSZPVDNXBJ-OAQYLSRUSA-N 358.482 4.946 0 40 FJAB c1ccc(C(c2ccccc2)c2nc3ccc(-n4cnnc4)cc3o2)cc1 226235880 KBHGZSFCFCPJGL-UHFFFAOYSA-N 352.397 4.589 0 40 FJAB CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 226324486 LDOPNFPFAVKQEZ-UHFFFAOYSA-N 358.656 4.547 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408619401 BULKKNYEMPBCDY-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)c1 408627169 KZCXZCTXIJYUQQ-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB CCOC(=O)C1=C(C)N=C(SCC)N[C@@H]1c1cccc(Cl)c1Cl 408990552 OBFVVGGSILFXAV-CQSZACIVSA-N 373.305 4.584 0 40 FJAB O=C(CCNC(=O)Oc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 409001134 HCQSDKXHPTUPMK-UHFFFAOYSA-N 374.396 4.703 0 40 FJAB CCc1cccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)[C@H](C)CC)c1 1505840566 BVGXGYVUUYMLRL-GFINZBGFSA-N 358.526 4.545 0 40 FJAB COC(=O)c1ccc(CN(C)c2ccc(Oc3ccccc3)cc2)s1 1652877310 GGLISUWWUDGZTN-UHFFFAOYSA-N 353.443 4.963 0 40 FJAB CCc1ccc(OCCCCn2c([C@H](O)CC)nc3ccccc32)cc1 1772765523 NHZLESDSNYJFJM-OAQYLSRUSA-N 352.478 4.901 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2cccnc12 783562 GZBQZQVUASBCKO-LLVKDONJSA-N 361.228 4.948 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c(C)c1 869046 RNLDLLNZXJMYHG-UHFFFAOYSA-N 367.474 4.701 0 40 FJAB CC(=O)OCc1c(-c2ccccc2)nn(C)c1Sc1ccc(C)cc1 1388741 GJPTVQORQCMNEL-UHFFFAOYSA-N 352.459 4.610 0 40 FJAB O[C@@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc12)[C@H]1CCCCN1 1733784 AJCGFJGKPNNFGK-NQIIRXRSSA-N 352.865 4.731 0 40 FJAB COc1ccc([C@@H](CCNCc2ccc(OC)c(OC)c2)C(C)C)cc1 1798359 XABPPFYKVVQMGX-FQEVSTJZSA-N 357.494 4.632 0 40 FJAB biogenic CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OC(C)C 2099628 WPYJMNHBYFFULY-UHFFFAOYSA-N 366.413 4.847 0 40 FJAB biogenic CCc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c1 2115435 LXGBHXAWWPUEJV-UHFFFAOYSA-N 361.441 4.591 0 40 FJAB biogenic CC[C@@H](C)c1ccccc1NC(=O)CSc1ccc(NC(C)=O)cc1 3287417 MSAOZPDBDACUQN-CQSZACIVSA-N 356.491 4.889 0 40 FJAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1C(F)(F)F 3413323 PXIHGPMTEKUZCJ-UHFFFAOYSA-N 365.376 4.684 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Br)cc2)c1C 3551230 USCZQEGLBBCQMS-UHFFFAOYSA-N 366.280 4.572 0 40 FJAB CCCCSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079485 VGTQTVZVVTURQH-UHFFFAOYSA-N 361.414 4.701 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 4142022 UHVYDJHQWNMJHW-UHFFFAOYSA-N 363.413 4.677 0 40 FJAB O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 4622840 ZTRBOBVGGNZMJG-MODIDLPISA-N 358.485 4.875 0 40 FJAB COc1ccc(C)cc1CSc1nnc(-c2cccs2)n1C1CC1 5357953 JBIPUKFQZYWXGQ-UHFFFAOYSA-N 357.504 4.951 0 40 FJAB COCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 6621575 MACQMVWUIUTVHT-UHFFFAOYSA-N 351.233 4.569 0 40 FJAB COc1ccc(CNCc2ccccc2OCc2ccccc2F)cc1 7538352 AJOVHPFOZIBIMU-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 7782455 PNPXEBURCSBVQF-LBPRGKRZSA-N 374.412 4.803 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCSc2ccccc21 7988108 SSCWUAHXPFTNOY-QGZVFWFLSA-N 366.511 4.706 0 40 FJAB O=C1c2ccccc2N[C@H](c2ccc3ccccc3c2)N1C[C@H]1CCCO1 9368295 CUNXJVQATBKUQX-KNQAVFIVSA-N 358.441 4.585 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccnn1C1CCCC1)c1ccccc1 9865939 MVNHNNUOLZVVBC-UHFFFAOYSA-N 374.444 4.503 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)s1 10819671 KUKPQKHBGPSNBP-UHFFFAOYSA-N 371.487 4.699 0 40 FJAB CCC[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 11743440 QFHTZUJNMYULJJ-IBGZPJMESA-N 350.462 4.644 0 40 FJAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 12312114 ZWRHJHMRFMXNLP-NQIIRXRSSA-N 362.454 4.999 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSc1ccccc1 13689158 PUWGTLMPIKPXDF-MRXNPFEDSA-N 351.471 4.516 0 40 FJAB C[C@@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F 15492199 JQQINCMVQCMBNT-LLVKDONJSA-N 371.836 4.757 0 40 FJAB CCCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCCC1 15831550 NNVDSYWTGOXECY-HXUWFJFHSA-N 372.553 4.736 0 40 FJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1 17073140 MXGVSORCLNGISX-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20141194 GXKALDKPHSMLEI-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1C 20458613 VLJDBQBZFQBHPD-KRWDZBQOSA-N 369.461 4.503 0 40 FJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 20488827 UBTVYJNCLIFHTO-UHFFFAOYSA-N 359.834 4.933 0 40 FJAB COc1c(Cl)cc(C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 21894958 YFILZSJRHBGZMS-GFCCVEGCSA-N 352.261 4.753 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCSc2ccccc21 21899811 GDQMGLQQDVAGTD-MRXNPFEDSA-N 350.443 4.617 0 40 FJAB O=C(Nc1cccc2c1CCCC2)c1cnn(-c2ccccc2)c1C1CC1 32765566 QTDSTKXKRGTKKB-UHFFFAOYSA-N 357.457 4.881 0 40 FJAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc(F)cc1Br 32859945 NDMDGAPVYHVKJE-UHFFFAOYSA-N 364.001 4.542 0 40 FJAB CCOc1ccccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F 32902020 LTLLYUQIXMYZOM-UHFFFAOYSA-N 360.335 4.905 0 40 FJAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)o1 32962381 ATQFULGDQGIAHQ-UHFFFAOYSA-N 371.440 4.713 0 40 FJAB C/C1=C/[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 36038287 XUVXBQLHPFQADG-YSENVUHBSA-N 358.478 4.627 0 40 FJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1Cl 40128141 XZYUJHYICOQBFR-UHFFFAOYSA-N 374.271 4.977 0 40 FJAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ncccc2c1 43277829 HAQBZLDIFJCXLW-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB Cc1nc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cs1 45103474 UICJUCRPPGRGSR-UHFFFAOYSA-N 367.499 4.555 0 40 FJAB CC(C)Oc1cccnc1NC(=O)c1ccc(C2SCCCS2)cc1 58009631 NHYFEGNBFXUMIB-UHFFFAOYSA-N 374.531 4.990 0 40 FJAB Cc1cc(C)cc(C2(C(=O)OCc3noc(-c4cccs4)n3)CCC2)c1 61778042 YHPOYFIETZPULC-UHFFFAOYSA-N 368.458 4.580 0 40 FJAB Cc1ccc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)c(C)c1 67285056 JRSCNKHHNHUFIN-UHFFFAOYSA-N 354.457 4.576 0 40 FJAB c1ccc(-c2nnc([C@H]3CC34CCN(c3nc5ccccc5o3)CC4)o2)cc1 71889471 JVZBHPJHGYKHPL-MRXNPFEDSA-N 372.428 4.652 0 40 FJAB CCN(C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)C1CCCC1 72314455 WLWDSQJFOIVNOX-XMMPIXPASA-N 350.528 4.530 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222581092 YHNLFVWZKNNIOR-UHFFFAOYSA-N 355.800 4.805 0 40 FJAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222994233 BKSLPLRHAXKWBR-KRWDZBQOSA-N 353.531 4.984 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 223194188 DMXYFHKOSRBYKY-OAHLLOKOSA-N 365.395 4.714 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)/C(=C/c1ccco1)c1ccccc1 223429177 IKPRNXBVNZGQES-HMMYKYKNSA-N 351.833 4.833 0 40 FJAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1C 223501665 MVSPZLRTJRCHGI-NRFANRHFSA-N 369.486 4.586 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(C)cc1 224470336 XNQNLHNMHDTGJU-UHFFFAOYSA-N 353.462 4.599 0 40 FJAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccc(C)c(C)c1 224617481 WOQQQXLYYFZDIE-UHFFFAOYSA-N 355.478 4.667 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COCC(C)C 224734936 AIQIJITYKZNSPT-KRWDZBQOSA-N 355.478 4.749 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 224965102 HEDONEZDLMHJOK-UHFFFAOYSA-N 358.482 4.688 0 40 FJAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 225181538 ZXRRZXBXVQRDCL-SFHVURJKSA-N 353.462 4.734 0 40 FJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1 225468960 NOUDDEYLFILXTQ-LLVKDONJSA-N 367.287 4.944 0 40 FJAB CCOP(=O)(OCC)O[C@@H](c1cccc(Br)c1)C(F)F 306145775 PTKWLIFTACCPRZ-NSHDSACASA-N 373.130 4.953 0 40 FJAB O=C(CSCc1cccc(Cl)c1)NCCSC1CCCCC1 409024381 KNWROIUBHCKIBH-UHFFFAOYSA-N 357.972 4.755 0 40 FJAB Clc1ccc(Cc2nc(CN3CCO[C@H]4CCCC[C@@H]43)cs2)cc1 613449396 IVZPOUBWTDCOEK-ROUUACIJSA-N 362.926 4.531 0 40 FJAB CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(F)ccc2N(Cc2ccccc2)C1 642883052 VNUQBSDUIJFGNE-KRWDZBQOSA-N 370.468 4.529 0 40 FJAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 670398 ZCJSHEYIFZDROS-ZDUSSCGKSA-N 362.539 4.517 0 40 FJAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccnc2)n1 812429 KJQWJRYUOHBZPK-UHFFFAOYSA-N 364.792 4.523 0 40 FJAB O=C(Nc1cccc(NC(=O)NC2CCCCC2)c1)NC1CCCCC1 842505 DHCSNRXPKQPZQJ-UHFFFAOYSA-N 358.486 4.595 0 40 FJAB Cc1cccc(C)c1NC(=O)N1CCC(n2cnc3cc(F)ccc32)CC1 1371037 RMLLWSVLSXCJCF-UHFFFAOYSA-N 366.440 4.661 0 40 FJAB CN(C)c1nn(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1 1384676 CGLIIYBBCMOVFY-UHFFFAOYSA-N 374.366 4.715 0 40 FJAB Cc1ccc([C@@H](CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 1641135 MPBXOOAOOBIXOG-QFIPXVFZSA-N 350.483 4.909 0 40 FJAB Cc1cc(C)n(-c2nc3ccccc3nc2Oc2ccc(Cl)cc2)n1 2268218 WITPBTFGSINAEF-UHFFFAOYSA-N 350.809 4.878 0 40 FJAB COc1cc(NC(=O)COc2ccc3ccccc3c2)c(OC)cc1Cl 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CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 8793920 ZUQHGBOLBDFCST-UHFFFAOYSA-N 373.865 4.898 0 40 FJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc2ccccc2o1 9584460 DZDKXHZBYLDAOJ-UHFFFAOYSA-N 362.429 4.748 0 40 FJAB Clc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 10386896 GVDYCTRJZJOWRJ-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3ccco3)no2)cc1 12185312 KRKIBKXDISVGJR-GOSISDBHSA-N 366.417 4.701 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)cc3F)cs2)cc1 12926336 XKNJDIUHTLFFHH-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13495030 BWLMAUOVVXRXBY-OAHLLOKOSA-N 363.461 4.834 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@@]1(CCC[C@H](C)C1)O3 13689350 JXRQKIJTOOYLDC-XMHCIUCPSA-N 354.446 4.968 0 40 FJAB CCN(CC)[C@H](CNC(=S)Nc1ccc(C)cc1C)c1ccccc1 16243057 ZTRWWAAVEZLXQJ-HXUWFJFHSA-N 355.551 4.673 0 40 FJAB CCOc1cc(CO)cc(Br)c1OCc1ccccc1Cl 17076150 RVZGCHGCSZEQJC-UHFFFAOYSA-N 371.658 4.573 0 40 FJAB O=C(Nc1cccc2ccccc12)N1CCC([C@H](O)c2ccccc2)CC1 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0 40 FJAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 71768131 PXCHMZYXEIRGNI-UHFFFAOYSA-N 363.845 4.505 0 40 FJAB CCc1nccn1-c1cccc([C@H]2CCCN2CCCc2ccccc2)n1 72379108 UTWNBOXFMCFVIA-OAQYLSRUSA-N 360.505 4.599 0 40 FJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2CCc2ccccc2)n1 72379127 NPYUVONJKATYQF-OAQYLSRUSA-N 360.505 4.770 0 40 FJAB COc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1OC(F)F 84129420 IGSQSOMOHIQOMR-UHFFFAOYSA-N 370.359 4.545 0 40 FJAB COc1ccc2cc(Br)ccc2c1CNC(=O)OC(C)(C)C 85399084 RKNHGXFPDFJDNJ-UHFFFAOYSA-N 366.255 4.636 0 40 FJAB CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cnc(-c2ccsc2)s1 95959717 DFUGCOOKPBFHTL-SNVBAGLBSA-N 362.442 4.921 0 40 FJAB Cc1ccc(NC(=O)NCC2(Sc3ccccc3)CCOCC2)cc1C 96331354 LPPUAFRNBUHACN-UHFFFAOYSA-N 370.518 4.766 0 40 FJAB CCCCO[C@H](C)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 109583695 ORTPZWLVUHANJX-CYBMUJFWSA-N 357.385 4.941 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc(C)c1C 219310318 RGXXSXJJBZRRJR-HKUYNNGSSA-N 367.489 4.798 0 40 FJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224173957 PSDYDYYMFMGNRR-UXHICEINSA-N 362.502 4.641 0 40 FJAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COC(C)C 224718159 FSIYZTKYPCSXBI-UHFFFAOYSA-N 357.450 4.580 0 40 FJAB COc1ccc(Cl)cc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225121293 JJAYWRAYWJTLJS-IBGZPJMESA-N 356.805 4.577 0 40 FJAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OCc1ccccc1 225591136 SUZGNSIZKGHNFB-UHFFFAOYSA-N 358.652 4.883 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)cc1C 225714195 HREWXMHFWMQQNL-QGZVFWFLSA-N 358.507 4.758 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3ccc(C)cn3)CCCC2)cc1 225872529 QWTPGWMAMUTCAC-UHFFFAOYSA-N 355.507 4.545 0 40 FJAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(Cl)cc1 226763482 QEUHFSFHHPFCRB-QPJJXVBHSA-N 365.658 4.645 0 40 FJAB Cc1cc(NC(=O)N(C)[C@H](C)c2ccco2)cnc1N1CCCC[C@H]1C 331363050 ABDMIRFHUDNQMB-HZPDHXFCSA-N 356.470 4.587 0 40 FJAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Cl 409017121 KCHSJFLEPJVHHP-KPKJPENVSA-N 360.262 4.837 0 40 FJAB COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1C 409145495 QMKYYAYJYQUCCD-XMHGGMMESA-N 367.470 4.673 0 40 FJAB O=C(c1cnccc1Oc1ccccc1)N1CCC[C@@H](c2ccccc2)C1 562120428 KNRMPWFHHGDESN-LJQANCHMSA-N 358.441 4.894 0 40 FJAB Clc1cc2ccccc2nc1-c1nc([C@H]2CCOc3ccccc32)no1 567315936 KXCFURAWVCGQMV-AWEZNQCLSA-N 363.804 4.853 0 40 FJAB Cc1ccccc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 592779794 HBMBYCFENPVDEB-KRWDZBQOSA-N 368.235 4.655 0 40 FJAB COc1cccc(C2(NC(=O)Nc3cccc([C@@H](C)OC)c3)CCC2)c1 665950432 NGSPJASXFIRRQD-OAHLLOKOSA-N 354.450 4.604 0 40 FJAB COC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 944284 YNJLEXNLBZQNTP-UHFFFAOYSA-N 355.397 4.827 0 40 FJAB COc1cnc(-c2ccccn2)nc1Sc1cccc(C(F)(F)F)c1 1401648 AOPVJVWMVRLEIH-UHFFFAOYSA-N 363.364 4.717 0 40 FJAB COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3N)n2)cc1 1415877 ATNJEBDQNUNIBL-UHFFFAOYSA-N 362.458 4.562 0 40 FJAB Cc1cccc(N2CCN(C(=S)Cc3cccc4ccccc34)CC2)c1 1604158 VFAOXKZRIYKKGD-UHFFFAOYSA-N 360.526 4.840 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 2708446 QXABNFYLYBODGO-UHFFFAOYSA-N 366.442 4.783 0 40 FJAB CCOc1ccc2nc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)sc2c1 3228042 CXISTHUJQKTBPT-STQMWFEESA-N 364.536 4.577 0 40 FJAB C[C@H]1CSC(N(C(=O)/C=C/c2ccccc2)c2ccc(Cl)cc2)=N1 3438542 UNHMCMBNIDLGMQ-GMMCIKNFSA-N 356.878 4.878 0 40 FJAB COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)o3)C2)c(OC)c1 4420509 BCWCQTLUNARZBP-HXUWFJFHSA-N 362.429 4.961 0 40 FJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1 5155755 UVOCKBWJADXADZ-ZRBLBEILSA-N 369.480 4.703 0 40 FJAB COc1cccc(/C=C/C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 5245055 YNLZOJOOQNCUOW-NTEUORMPSA-N 350.462 4.728 0 40 FJAB C[C@H](NC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 5445879 OGXSSVLAOVRZSM-UHSVVUDUSA-N 362.311 4.784 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)c1ncnc2sc3c(c12)CCC3 6590212 XUQBHIXSPYILOB-LLVKDONJSA-N 366.515 4.987 0 40 FJAB COc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Cl)cc32)cc1 6973439 MCXFWVDQAWCGJI-UHFFFAOYSA-N 361.832 4.783 0 40 FJAB CCCCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7544932 RGMZWUXXYQCGQJ-MRXNPFEDSA-N 365.452 4.886 0 40 FJAB O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 7813567 JWWZBOKBWKQEJA-UHFFFAOYSA-N 359.834 4.933 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 7928930 RTHGLKUECQURSR-WMZOPIPTSA-N 365.473 4.775 0 40 FJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c1 8709310 WSJKXTXHUUVPBR-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB Cc1cccc(CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 9426030 LDWKRPMCLYAWES-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1Cl)O[C@H](C)C2 12536567 HHMJKUAQFQSGDH-CHWSQXEVSA-N 374.868 4.501 0 40 FJAB Cc1cc(F)ccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 12551562 GNZFDJICMHVDBJ-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB COc1ccc(C(=O)C2CCN(Cc3cccc4ccccc34)CC2)cc1 14325444 SNDICUQYWUYGDM-UHFFFAOYSA-N 359.469 4.943 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14862004 COEBWMIWZOUOIA-UHFFFAOYSA-N 366.424 4.892 0 40 FJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 17073613 DOJNSGSDNNTZNP-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB CC1CCC(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 17311474 WXOYKNACJXXWTG-UHFFFAOYSA-N 360.505 4.662 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20110752 QCIZKXUSJFEQGA-DTKKNGCVSA-N 357.453 4.923 0 40 FJAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1Cl 20137805 XMMMJJWYNHCVLM-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1Cl 22523568 GSMFVDDYKMAYNJ-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB Cn1c(COc2ccccc2Cl)nnc1SC/C=C/c1ccccc1 22529043 OVVMCMYUMMHJII-JXMROGBWSA-N 371.893 4.853 0 40 FJAB Cc1ccc(C(=O)C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(C)c1 24456831 SZEYTHMJPQZMGN-UHFFFAOYSA-N 373.855 4.831 0 40 FJAB CCCCOc1ccc(NC(=O)c2cccc(OC)c2)c2cccnc12 28580821 DRMVLQNGNVQACT-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCC3)c(OC)c1 32820733 GBGBPNJNISESKB-KRWDZBQOSA-N 371.502 4.621 0 40 FJAB Cc1cc(C)cc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c1 35616190 XHGJQKVWWLMFHG-UHFFFAOYSA-N 357.461 4.823 0 40 FJAB CCOc1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39761112 JEQCKYWIFBUMPO-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB C[C@@H](NC(=O)Nc1c(F)cccc1F)c1cccc(Br)c1 40097568 OUHHTFZTWPNKQI-SECBINFHSA-N 355.182 4.610 0 40 FJAB CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 41007119 BQKWNTTXMUDRQJ-UHFFFAOYSA-N 360.207 4.846 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 44087207 NIAMEDSGFHTRTE-UHFFFAOYSA-N 372.877 4.848 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C 44856348 FVLUFAZHHVJJMJ-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(CCC1=CCCCC1)C3 57105509 ZEIXXSRGLHBOBX-UHFFFAOYSA-N 365.473 4.714 0 40 FJAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 57477906 DJNVKUNJTSLYIZ-NRFANRHFSA-N 363.457 4.756 0 40 FJAB CN(C(=O)c1cc2ccccc2o1)[C@H](c1cccc(F)c1)c1ccccn1 58370344 VPVDOBNJYZRIJZ-OAQYLSRUSA-N 360.388 4.829 0 40 FJAB Cc1cc([C@@H](C)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)o1 62424369 WEIMQAIFMOBVHJ-CYBMUJFWSA-N 363.383 4.952 0 40 FJAB CC[C@H](c1ccccc1)c1nnc(SCCCOCC(F)(F)F)o1 67952708 ZNENYKYLMIFLOX-CYBMUJFWSA-N 360.401 4.673 0 40 FJAB O=Cc1ccc(-c2cc(Br)c(Cl)c(Br)c2)o1 70461233 KZNWWHWNNUBEDQ-UHFFFAOYSA-N 364.420 4.938 0 40 FJAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 72348613 XVMFMWQWUULZNI-HXUWFJFHSA-N 372.468 4.777 0 40 FJAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3cccc4cccnc34)C2)n1 72369944 GZONVEQPKWAKBS-IBGZPJMESA-N 370.456 4.583 0 40 FJAB CN(CC(F)(F)F)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 89340133 STUWKVCHNIYAQE-UHFFFAOYSA-N 366.364 4.704 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1 89980282 WWIFWTRBMBFYFS-PGRDOPGGSA-N 363.461 4.578 0 40 FJAB CC[C@H](CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1 95943576 MGDCBWLROVENRJ-MRXNPFEDSA-N 351.288 4.555 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NCC1(c2cccs2)CCCC1 96120210 LKKRBOBDTUEVIU-UHFFFAOYSA-N 351.874 4.711 0 40 FJAB CN(C)c1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCC2=O)s1 96346807 MTFSLDPDEVKZDS-IAGOWNOFSA-N 355.503 4.930 0 40 FJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2c(C)cccc2C)cc1 223766793 PYOYZFUAUWOCKX-ZHZULCJRSA-N 374.440 4.614 0 40 FJAB C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CCC[C@@]2(C)COc1ccc2ccc(=O)oc2c1 254519299 HCHKBKRQLFXVQM-SNEFXKKYSA-N 370.489 4.775 0 40 FJAB O[C@H](c1ccccc1)c1cc(Cl)ccc1NCc1cc(C2CC2)no1 685940188 QCDKCHUUBXIOCH-HXUWFJFHSA-N 354.837 4.899 0 40 FJAB CCc1ccc(-c2n[nH]c(SCCOc3cc(C)cc(C)c3)n2)cc1 1613283589 IFCOFPSSRKMIGY-UHFFFAOYSA-N 353.491 4.822 0 40 FJAB CCCCCc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 1804498 YCINGVRYGJKYAK-UHFFFAOYSA-N 371.278 4.881 0 40 FJAB COc1ccccc1[C@H](CCNC[C@H]1CCOC(C)(C)C1)c1ccco1 2126691 ZJRAJVFUDNLVDK-HKUYNNGSSA-N 357.494 4.605 0 40 FJAB biogenic Cc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c(C)c1 2435024 ORUAFTJZDQRWBM-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB COc1cc(C(=O)NCC2CCCCC2)ccc1OCc1ccccc1 2630270 GMZZDYBTCTTZPK-UHFFFAOYSA-N 353.462 4.584 0 40 FJAB O=C(CSc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 2662160 FTHVOCZHLTVDHE-UHFFFAOYSA-N 351.446 4.824 0 40 FJAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1nccs1 3279992 KBKQRNLJZNRABH-UHFFFAOYSA-N 353.472 4.775 0 40 FJAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2ccccc2c1 4242744 NQSCHYGBUIEBFS-LLVKDONJSA-N 359.834 4.739 0 40 FJAB Cc1ccc(-c2csc(SCC(=O)Nc3nc(C)cs3)n2)cc1 4668927 DTIFAXVHCJHNNE-UHFFFAOYSA-N 361.517 4.614 0 40 FJAB Cc1nn(-c2ccccc2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12 4705013 BILFUIIPTUAPRQ-UHFFFAOYSA-N 354.335 4.810 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1C 5746951 DYZGXDOXKCTIAV-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)c1 5778860 GFLSVYCNFBJPLZ-UHFFFAOYSA-N 352.459 4.945 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 6606654 KPANKVJUVIKNEO-LBPRGKRZSA-N 365.502 4.614 0 40 FJAB CCOc1ccccc1COC(=O)c1ccccc1C(=O)c1ccccc1 6936491 MTLRYULKGSTACU-UHFFFAOYSA-N 360.409 4.673 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 7917496 OPGXNXMGQUNJCG-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(CCc2ccccc2)s1 8766647 SRMZJUZBSYGCFQ-UHFFFAOYSA-N 358.854 4.621 0 40 FJAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2s1 10037529 SKKTUNGRXVBLHN-UHFFFAOYSA-N 351.353 4.637 0 40 FJAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccccc1F 11897538 HDWVEZKWJRNVRA-INIZCTEOSA-N 373.431 4.998 0 40 FJAB CSc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 12038151 RBFOEVZZTUZFCY-NSHDSACASA-N 366.280 4.577 0 40 FJAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCCCC4)cc3)cc12 12088264 FPAPSYOANZJLDU-UHFFFAOYSA-N 361.489 4.747 0 40 FJAB Cc1ccc(CN(C)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)o1 12991879 WDNSQKTUMJQMJW-UHFFFAOYSA-N 361.441 4.877 0 40 FJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(Cl)c1Cl 13022853 VWGRFICMGUJTAW-UHFFFAOYSA-N 374.271 4.510 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1 13612040 VRKLHBXUGBNCEI-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB COc1ccc(C(=O)Nc2cccc(CN[C@H]3CCCC[C@@H]3C)c2)cc1 17311177 ZSIAIRUKTYEKAC-KKSFZXQISA-N 352.478 4.616 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20495701 FOGCORYEMRTUKN-OAHLLOKOSA-N 360.885 4.588 0 40 FJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(OC)c1 21595572 WSVDEHATHPCWSV-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CCc1ccc(OCCSc2nc3ccccc3n2[C@H](C)C(C)=O)cc1 21659936 SQIAWEVBPXXSTK-OAHLLOKOSA-N 368.502 4.920 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccccc1 22053552 MVPWHOSZMADCDQ-UHFFFAOYSA-N 371.362 4.965 0 40 FJAB Fc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1 23126585 YYDFFWXZZNBARM-UHFFFAOYSA-N 353.397 4.967 0 40 FJAB Cc1cc(C(=O)CCC(=O)OCc2coc(-c3ccccc3)n2)c(C)s1 24164301 MVFLVTBGNPWUMY-UHFFFAOYSA-N 369.442 4.726 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1ccco1)Cc1ccco1 30470097 VCLCIUDYUOOQSD-UHFFFAOYSA-N 374.440 4.809 0 40 FJAB CN(C(=O)COc1ccccc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12 32593873 JEHBARLSZOCDGF-XMMPIXPASA-N 370.452 4.795 0 40 FJAB C[C@@H](NC(=O)CCSCc1nc2ccccc2s1)c1ccccc1 32778827 YWUUIJQUPQXCCX-CQSZACIVSA-N 356.516 4.797 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N(C)Cc3cccc(Cl)c3)cs2)o1 32816091 SNGWPUAWFGUNLX-UHFFFAOYSA-N 360.866 4.566 0 40 FJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3)nc21 36617274 ZJLZYOUJGJVPGY-UHFFFAOYSA-N 361.417 4.859 0 40 FJAB CCc1ccc(-c2nc(COC(=O)c3c(C)nsc3NC)cs2)cc1 40012697 JHPHDGZOZHAWRL-UHFFFAOYSA-N 373.503 4.536 0 40 FJAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3cccc(OC)c3)co2)cc1 42760181 NNAUSMDQDZRDLV-OAQYLSRUSA-N 364.445 4.696 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(C)c1 51364426 FGADWTLLNLMHIU-IBGZPJMESA-N 372.468 4.770 0 40 FJAB CCCn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2ccccc21 64963665 FEVOBDURVAKSFF-UHFFFAOYSA-N 365.820 4.782 0 40 FJAB CC[C@H](C(=O)N[C@@H]1CCc2c(O)cccc21)c1cccc(C(F)(F)F)c1 79054081 XDPGZASHGSMQHB-WMLDXEAASA-N 363.379 4.708 0 40 FJAB Cc1ccnc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)c1 95474398 DBIDEVQNVUXFAG-QGZVFWFLSA-N 353.853 4.658 0 40 FJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C/C=C\c1ccccc1 101349748 FTIQDBSDVFHNNN-PRUHCIRGSA-N 359.473 4.823 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc2ccccc12 222872394 WMNPFNAKUGSWTL-LJQANCHMSA-N 353.849 4.967 0 40 FJAB COc1ccc(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223340256 DOYRUWMKIROISX-MRXNPFEDSA-N 355.478 4.556 0 40 FJAB CC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(OC)c(C)c1 223842658 KURZPOKFHXODAT-OAQYLSRUSA-N 366.505 4.875 0 40 FJAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)Oc1ccccc1 225130274 ZOCXORUMNHFPRP-LJQANCHMSA-N 350.439 4.913 0 40 FJAB CCN(CC)[P@]1(=O)C=C(C)[C@@H]2[C@H]1[C@H]1C=C(C)[C@H]2[P@]1(=O)N(CC)CC 301054477 SUVFJOAJVBACKK-MVFCUBCPSA-N 370.414 4.839 0 40 FJAB Cc1cc(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(C)s1 650739750 KTNCACVFKFNYJS-UHFFFAOYSA-N 374.453 4.860 0 40 FJAB CCC[C@@H]1CCc2nc(NC(=O)Nc3ccc(NC(C)=O)cc3)sc2C1 1624179831 NRRUJPZFNMQZLI-CYBMUJFWSA-N 372.494 4.651 0 40 FJAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)sc1Cl 945462 WTUPEZBWXZIHJZ-UHFFFAOYSA-N 370.282 4.950 0 40 FJAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1nccs1 1697448 IKOWLLJVZFQYDU-UHFFFAOYSA-N 368.028 4.557 0 40 FJAB O[C@@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc12)[C@@H]1CCCCN1 1733786 AJCGFJGKPNNFGK-RXVVDRJESA-N 352.865 4.731 0 40 FJAB COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc2c1CCC2 1904946 GRKDKDFLSXXVFH-FMIVXFBMSA-N 369.486 4.799 0 40 FJAB CCOc1ccc(-c2nnc(NC(=O)[C@H](CC)c3ccccc3)s2)cc1 2298322 QVOGAOYKPORYDG-QGZVFWFLSA-N 367.474 4.736 0 40 FJAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3c2C1 2651082 BUUWWGUPPHIBHG-HNNXBMFYSA-N 371.484 4.747 0 40 FJAB COc1cccc(NC(=O)[C@@H](Nc2ccc3c(c2)CCC3)c2ccccc2)c1 3291412 GRZUQFXGDAEPGO-QHCPKHFHSA-N 372.468 4.976 0 40 FJAB C/C=C/[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4024429 IOUYXYGRBKBIAU-RVRXOFSXSA-N 361.526 4.855 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@@H](c2sccc2C)n2c(nc3ccccc32)N1 4734716 WCKQTCVFRXYPJK-KRWDZBQOSA-N 367.474 4.647 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 5033085 LELCYWQRPVWFNT-UHFFFAOYSA-N 351.402 4.818 0 40 FJAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 5466287 HGYYGBKJWXYLAB-UHFFFAOYSA-N 365.473 4.965 0 40 FJAB Cc1cc(C)c2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2c1 5556960 YUNLBMUBIFGHGC-UHFFFAOYSA-N 361.485 4.865 0 40 FJAB biogenic COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1C 6478720 PIBDSYUAPSMYTJ-WOJGMQOQSA-N 353.443 4.549 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 6978204 RRNAVFMNESKGHK-XMMPIXPASA-N 374.484 4.798 0 40 FJAB CC(C)n1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544608 NUFPWTHKZHSFHS-AWEZNQCLSA-N 353.853 4.791 0 40 FJAB Fc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1 8076329 FQUOPJLJQZLRFL-UHFFFAOYSA-N 370.434 4.909 0 40 FJAB COC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl 8092197 GOSZOQAPDWLHGD-UHFFFAOYSA-N 370.257 4.511 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 8372048 BMUZVNBSAFCTGF-UHFFFAOYSA-N 350.443 4.720 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1nc(Cl)cs1 8938031 WMERIKSECYQWRQ-UHFFFAOYSA-N 369.895 4.720 0 40 FJAB CCn1c(SCC(=O)c2sc3ccccc3c2C)nnc1C1CC1 10022004 NPMAWSJVVLVHLL-UHFFFAOYSA-N 357.504 4.674 0 40 FJAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)C)c1 13714873 RXYKKBPUUMCSSD-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB CCOc1ccccc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 13956862 QRBDIQIIVLSIJE-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB Nc1c(Cl)cc(NC(=O)c2ccc(Br)cc2)cc1Cl 16489486 IZABWEOCTPLTBP-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 17122742 ULTPABHPFRELOE-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccc(Cl)c1 24107415 FBIWFLGQTBGODW-LBPRGKRZSA-N 360.244 4.712 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1 27581738 MCUHTPGSYJOCTR-HXUWFJFHSA-N 356.897 4.605 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccccc2)c(OC)c1 29067627 MLLPXROOBGOPKU-DNVCBOLYSA-N 371.502 4.548 0 40 FJAB Cc1n[nH]c(NC(=S)NCc2ccccc2)c1-c1ccc(Cl)cc1 35312522 HNKZFHLWZVZBBV-UHFFFAOYSA-N 356.882 4.525 0 40 FJAB CCCCc1ccc(C(=O)c2cccc(I)c2)cc1 37355106 LLTFZPUYDAAGKV-UHFFFAOYSA-N 364.226 4.865 0 40 FJAB COC(=O)C(C)(C)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 38337743 JMAOPGKULZAARP-HXUWFJFHSA-N 367.489 4.612 0 40 FJAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(Oc2ccccc2)nc1 40142255 LBXCUNWPCQWLIN-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2)cc1 40485365 YGCGOFCURWMBKI-QFIPXVFZSA-N 371.436 4.748 0 40 FJAB Cc1ccccc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 44213341 PNJNGZNHUMASPO-UHFFFAOYSA-N 374.469 4.664 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 44849210 BHZDGTSPRITJOE-IAGOWNOFSA-N 355.478 4.853 0 40 FJAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 44935698 QPKWTDWYEPBHIU-IRLDBZIGSA-N 368.496 4.614 0 40 FJAB Cc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCC3)cc1 45932742 KPUPKNDCZJNRDD-UHFFFAOYSA-N 362.498 4.846 0 40 FJAB S=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCCCC1 59109363 PVTWNSAJELJREA-UHFFFAOYSA-N 364.514 4.882 0 40 FJAB O=C(Nc1c(F)cccc1F)N(CCc1ccccc1)Cc1ccccn1 62017986 BJXIRTJUVGVVGC-UHFFFAOYSA-N 367.399 4.637 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 75390135 GNBRWHQWPWSZDU-XJKSGUPXSA-N 370.474 4.847 0 40 FJAB Cc1cccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)c1 80346392 BILWDXINYKGOBV-UHFFFAOYSA-N 350.491 4.629 0 40 FJAB COc1ccc(C)cc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 84131256 JSJPMFLBDMSVNL-QGZVFWFLSA-N 366.486 4.981 0 40 FJAB Cc1cccc(-c2ccc3cc(C(=O)NC(C)C)c(-c4cocn4)n3c2)c1 96155471 QTWPNKNCGXLKSA-UHFFFAOYSA-N 359.429 4.708 0 40 FJAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12 100394298 FMPOWQSUNMGUMG-HMXCVIKNSA-N 355.437 4.913 0 40 FJAB CCCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218982859 QDFBRBISIKAKAA-IBGZPJMESA-N 369.461 4.516 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCc1cccc(OC(C)C)c1 219576671 BWBXFJFRLIITFK-HXUWFJFHSA-N 373.468 4.519 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC1CCCC1 223671639 VMAUWCCBWAQRAJ-LJQANCHMSA-N 363.567 4.934 0 40 FJAB Cc1nc(NC(=S)NCCCc2ccc(F)cc2)c(Cl)cc1Cl 223965517 OWRFENXQIQIIKS-UHFFFAOYSA-N 372.296 4.755 0 40 FJAB Cc1cnc(NC(=S)NCC2(c3ccccc3)CCCC2)c(Cl)c1 223971612 QNAJZGCRAZDHOF-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225463528 RTCIPTBMGQDGMP-UHFFFAOYSA-N 361.898 4.679 0 40 FJAB Cc1ccc(C)c(CC(=O)Nc2nnc(SCc3ccccc3)s2)c1 225503668 UYPPREWIORMMMA-UHFFFAOYSA-N 369.515 4.628 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(OCc2ccccc2Cl)c1 225776723 QIVDOJCHNNXIQO-BXTJHSDWSA-N 355.865 4.837 0 40 FJAB COc1ccccc1C(=O)Nc1cc(N2[C@@H](C)CCC[C@H]2C)c(C)cc1N 226331603 KGFFUIZBXVHVQJ-IYBDPMFKSA-N 367.493 4.605 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 408553746 QIASHXJXRAGSDW-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1Cl 408585759 JEVWCESOVIZXMH-UHFFFAOYSA-N 353.871 4.663 0 40 FJAB COc1cccc2cc(C(=O)NCCSc3ccc(Cl)cc3)oc12 408702599 MTKHATYWEHQPSG-UHFFFAOYSA-N 361.850 4.617 0 40 FJAB C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1O)c1cccc2ccccc12 1540369189 GHKUUZJGUCEUQI-CQSZACIVSA-N 357.409 4.895 0 40 FJAB COc1ccc(-c2nc(CNc3cccc(-n4ccnc4)c3)cs2)cc1 1657528056 QROAVGCOLLNKMD-UHFFFAOYSA-N 362.458 4.617 0 40 FJAB COc1ccc(CCN[C@H]2CCCc3c2[nH]c2ccc(C)cc32)cc1OC 977875 GVXILTUYRLRQQA-FQEVSTJZSA-N 364.489 4.703 0 40 FJAB biogenic Cc1ccc(NC(=O)Oc2ccccc2C(=O)OCc2ccccc2)cc1 1737971 GWVCQQUBUUWACK-UHFFFAOYSA-N 361.397 4.963 0 40 FJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 3065947 KEKBGLOFQCMOON-UHFFFAOYSA-N 352.242 4.947 0 40 FJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1cccc(Cl)c1 3279154 UPZPEOHLSDHCDE-UHFFFAOYSA-N 364.828 4.971 0 40 FJAB CCOc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 4154561 NXBRWEDVDKHQQN-UHFFFAOYSA-N 365.429 4.728 0 40 FJAB CC[C@@H]1c2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@@H]1C 4416622 RTPSBRFMJKJZNR-OXDBHQQFSA-N 356.462 4.996 0 40 FJAB in-vitro COc1ccc(N[C@@H](c2c[nH]c3ccccc23)P2(=O)OCCCO2)cc1 4455899 BTVJQTYUWXUFNX-LJQANCHMSA-N 372.361 4.917 0 40 FJAB Cc1ccc(CSc2nnc(NC(=O)c3ccccc3F)s2)cc1 4699970 AXXPYYKGQSJPKA-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB O=C(CSc1nc2ccccc2o1)c1ccc(Br)s1 5628944 ODLTWAHKGTVUEM-UHFFFAOYSA-N 354.250 4.627 0 40 FJAB c1ccc(OCCn2c(CCCN3CCCCC3)nc3ccccc32)cc1 7343636 HSJWKMGESCAXNJ-UHFFFAOYSA-N 363.505 4.534 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2sccc2C)cc1 9204515 XBIHOMRBQXNMBA-UHFFFAOYSA-N 355.459 4.566 0 40 FJAB Cc1cc(C(=O)COc2ccc3ccccc3c2)c(C)n1C[C@@H]1CCCO1 9753505 ITBRWSKTKDDQSQ-NRFANRHFSA-N 363.457 4.699 0 40 FJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1cccc2ccccc12 11007627 DPDGZEKGVFCWGO-UHFFFAOYSA-N 359.429 4.510 0 40 FJAB Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)cc1 13769257 NFSCTPXBBWMVDT-UHFFFAOYSA-N 374.484 4.812 0 40 FJAB CC(C)c1cc(C(=O)Oc2ccc(-c3nnco3)cc2)c2ccccc2n1 14634904 YUSINFOMDWMJAY-UHFFFAOYSA-N 359.385 4.627 0 40 FJAB CC(C)c1ccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1 19817344 PJUICKZCVMAELY-QGZVFWFLSA-N 370.456 4.785 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 20025600 NUFYSBKETGUGRL-ZDUSSCGKSA-N 362.267 4.647 0 40 FJAB Cc1ccc(SCCNC(=O)CSCc2cccc(Cl)c2)cc1 20238048 CBGGLOSYNNQJSC-UHFFFAOYSA-N 365.951 4.790 0 40 FJAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 20450888 LTVAMHIVXAELPP-IDJPSDCMSA-N 367.489 4.892 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(C)c1C 20494457 GBJQVFUSIRGGNR-FQEVSTJZSA-N 369.505 4.609 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccccc3)n2)c1 27934302 CYXHTEYGIANCGH-UHFFFAOYSA-N 357.866 4.559 0 40 FJAB COc1ccc2nc(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3)ccc2c1 30315206 YKUYNXUDNMYEHG-CYBMUJFWSA-N 354.837 4.730 0 40 FJAB CC[C@@H](C(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C)c1ccccc1 32610094 DUSGVEBCLCJQSP-OAQYLSRUSA-N 361.489 4.989 0 40 FJAB Clc1ccc2nnn(OCc3sc4ccccc4c3Cl)c2c1 32758595 IAEUHTMNSSPLPF-UHFFFAOYSA-N 350.230 4.582 0 40 FJAB NC(=O)c1cccnc1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 32769758 DMBHLVSHDKKEIU-KRWDZBQOSA-N 354.862 4.716 0 40 FJAB CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 44441879 KPLLUDKVSUBWDH-UHFFFAOYSA-N 356.429 4.548 0 40 FJAB COc1cccc2cc(C(=O)N(Cc3ccsc3)CC(F)(F)F)oc12 44447570 SCEHUTSQPWVXEX-UHFFFAOYSA-N 369.364 4.708 0 40 FJAB CCCCCOc1ccc([C@@H](C)NC(=O)c2scnc2C)cc1OC 48517543 KXAPCWMWWNDUJQ-CYBMUJFWSA-N 362.495 4.520 0 40 FJAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1 58224803 AZNKDYMNJUHLEC-OAHLLOKOSA-N 370.518 4.638 0 40 FJAB Fc1c(F)c(F)c2c(c1F)[C@H]1C=C(I)[C@@H]2CC1 71785849 HILJQXZQYUOFET-UHNVWZDZSA-N 354.084 4.537 0 40 FJAB CC(C)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C(C)C 72213024 MIOCTVJWVAVRFG-HXUWFJFHSA-N 351.494 4.682 0 40 FJAB CN(Cc1ccc(-c2ccccc2)cc1)Cc1cc(F)cc2c1OCOC2 83862623 MBWBYJDCIXHXPK-UHFFFAOYSA-N 363.432 4.991 0 40 FJAB COc1ccc2cc(C(=O)N(Cc3ccsc3)Cc3ccco3)[nH]c2c1 96120255 BGQGZMZUZJLHGC-UHFFFAOYSA-N 366.442 4.674 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc(OC(F)F)cc2)C1 102193840 BZYJRKVKQMSQQP-SCLBCKFNSA-N 354.466 4.885 0 40 FJAB CC(C)c1ccc(OCC(=O)N2CCc3ccccc32)c(Br)c1 218873274 SQMJMNMRCBCGJZ-UHFFFAOYSA-N 374.278 4.541 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc(C)c(C)c1 219566999 KOBFVYAWTZPHOU-RBUKOAKNSA-N 355.478 4.737 0 40 FJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222665474 RNYYWSHKAVVOJO-UHFFFAOYSA-N 374.484 4.797 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224702886 FVAXPUCJTFKSQZ-UHFFFAOYSA-N 370.924 4.575 0 40 FJAB CCC1(CC)C[C@H](NC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 225027153 LFRJMIRHJLIRES-KRWDZBQOSA-N 369.461 4.516 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(OC)cc2)c2ccccc2O1 225313318 DVOHZOLBRZYBBL-HXUWFJFHSA-N 367.489 4.827 0 40 FJAB CCOc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1 225336839 ONYSLJYIXYPCOD-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB O=C(NCc1cccnc1-c1ccsc1)c1ccccc1C(F)(F)F 225645222 KLUMTWUNLKXHMH-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB COc1cc(C)c(C(=O)NCc2cccc(OC(C)C)c2)cc1C(C)C 225665485 QZMUINXWAYBFSF-UHFFFAOYSA-N 355.478 4.844 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c(C)c1 225707567 PJWGKLBDCKFWGB-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1C 225754139 CKCQETQYFSNMBW-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ncccc23)CCCCC1 225888403 WONJIWXBBYMHBH-UHFFFAOYSA-N 356.466 4.557 0 40 FJAB CCCCC(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226352068 KZMDQYLSYADOKY-UHFFFAOYSA-N 366.211 4.536 0 40 FJAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccccc1Cl 390826286 HBXQODYLBHRECQ-OAHLLOKOSA-N 369.920 4.531 0 40 FJAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(F)cc2)cc1 409179655 RAVHQNAUVDZWSW-UHFFFAOYSA-N 352.361 4.633 0 40 FJAB Clc1c2c(nc3cc(N4CCC(n5ccnc5)CC4)ccc13)CCCC2 572952497 ACKXYEGTRONOHY-UHFFFAOYSA-N 366.896 4.805 0 40 FJAB C(=C/c1nn2c(CSCc3ccccc3)nnc2s1)\c1ccccc1 1501040041 XQKJNXWYZNKRPS-VAWYXSNFSA-N 364.499 4.790 0 40 FJAB Cc1ccc(-c2cncc(C(=O)NCCc3ccc4[nH]ccc4c3)c2)cc1 1556320571 QFRFNLRUJMLQSK-UHFFFAOYSA-N 355.441 4.511 0 40 FJAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1 1775978471 SCNFHIPAFHFNSP-UXHICEINSA-N 365.498 4.759 0 40 FJAB CCOc1cc(CNc2ccc(N3CCCC3)cc2)cc(Cl)c1OC 624022 QQWGJAPOKIMOPE-UHFFFAOYSA-N 360.885 4.960 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 682997 XTAVVOHMWNRQKS-QGZVFWFLSA-N 359.425 4.632 0 40 FJAB in-vitro Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 955473 KIULUUFUCPYFRA-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1 996574 JTSXKTQPOQJZIO-CQSZACIVSA-N 370.518 4.640 0 40 FJAB CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1c1ccccc1 1065865 ZNNXJHMWQNPUBZ-QHCPKHFHSA-N 370.452 4.718 0 40 FJAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 2651138 NTLZVENGLYCXKK-UHFFFAOYSA-N 364.788 4.900 0 40 FJAB COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2ccccc2)c1 3120596 YNZXZSPSRYLTNW-PKTZIBPZSA-N 360.409 4.597 0 40 FJAB COc1ccccc1[C@@H]1O[C@H]1C(=O)c1ccccc1OCc1ccccc1 3120602 RFEKIDXYKPEWHX-GOTSBHOMSA-N 360.409 4.597 0 40 FJAB COc1ccc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1OC 3192250 BTESYHHMCDQMIP-UHFFFAOYSA-N 357.409 4.855 0 40 FJAB Cc1cc(Br)ccc1NCC(=O)Nc1cc(Cl)ccc1C 3399474 XYBIHQIAKQIYGU-UHFFFAOYSA-N 367.674 4.770 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C)CC3 3902169 FIJOUIDHNYFLRY-ZDUSSCGKSA-N 370.543 4.743 0 40 FJAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Oc2ccccc2)cc1 4135060 SMNKWHOQPKEEDR-UHFFFAOYSA-N 372.380 4.576 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385005 LUPMQIYVHZKXBK-CQSZACIVSA-N 353.853 4.620 0 40 FJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 5875312 HFZLUZIFACLUFA-OAHLLOKOSA-N 354.450 4.711 0 40 FJAB Cc1cc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(C)c1Cl 5959939 BGLTZYICDOPPPZ-UHFFFAOYSA-N 374.868 4.569 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 6316608 WAHRQVBBPVDKHE-UHFFFAOYSA-N 353.443 4.553 0 40 FJAB CCOc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1OCC 6964405 GPMNRICNCDQZMC-UHFFFAOYSA-N 364.898 4.624 0 40 FJAB COc1cccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)c1OC(F)F 7061615 NEKGTSKJWGUORG-GZKZCVOOSA-N 373.399 4.504 0 40 FJAB CCN(CC)C(=O)[C@H](Sc1nc2cc(C)ccc2[nH]1)c1ccccc1 7676216 PSCIGXDYGSWTAQ-GOSISDBHSA-N 353.491 4.573 0 40 FJAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063478 HCGIYKNOCQKFNT-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB CC(C)COC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 9067012 RZWWVZDNPQHEEP-UHFFFAOYSA-N 360.266 4.640 0 40 FJAB CCCCCC(=O)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 9141407 PCQJSFHAAUYMRY-UHFFFAOYSA-N 350.466 4.810 0 40 FJAB Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cc(C)no3)nc2c1 11693199 TYLAAKBSIPQCFZ-UHFFFAOYSA-N 367.430 4.650 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(F)ccc3C)cs2)cc1 12599373 XYYBFVZSEKORDK-UHFFFAOYSA-N 370.449 4.659 0 40 FJAB COc1ccc(-c2csc3ncnc(Nc4ccc(OC)nc4)c23)cc1 12633269 LUZLJCSZAVXVDV-UHFFFAOYSA-N 364.430 4.514 0 40 FJAB Cn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2ccccc2)c1=S 12924593 SVSMSMYTNFQAMS-GOSISDBHSA-N 368.481 4.552 0 40 FJAB Clc1ccccc1COc1ccc(Br)cc1CNC1CC1 16449931 WHDIIKHPYMCISX-UHFFFAOYSA-N 366.686 4.934 0 40 FJAB CCn1ncc(CN2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)c1C 19691981 YSSBZLGZXASMKB-DEOSSOPVSA-N 374.532 4.843 0 40 FJAB CC(=O)c1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1 19819518 QPFYBKLYLJNDCN-UHFFFAOYSA-N 370.499 4.954 0 40 FJAB COc1ccc(CN2CN=C(c3ccccc3)N(c3cccc(C)c3)C2)cc1 19960660 VONOLNNGZHFVST-UHFFFAOYSA-N 371.484 4.688 0 40 FJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccsc2)s1 24356280 WFLLLMRIUBTYGF-GHXNOFRVSA-N 365.842 4.728 0 40 FJAB O=C(Cc1cccc(F)c1)NCc1ccc(-c2nc3ccccc3s2)o1 24883331 AJNLLTYNROVCCG-UHFFFAOYSA-N 366.417 4.554 0 40 FJAB O=C(c1ccccc1C(F)(F)F)N1CCC(c2nc3ccccc3[nH]2)CC1 27997576 JGXQQNPOZGSXHX-UHFFFAOYSA-N 373.378 4.602 0 40 FJAB COc1ccc2nc(NC(=O)c3cc(SC)ccc3Cl)sc2c1 28226726 QVELXDUADSKITB-UHFFFAOYSA-N 364.879 4.933 0 40 FJAB C[C@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1cccc(Br)c1 32803391 UXNHZOITLKLGJR-UONOGXRCSA-N 361.283 4.913 0 40 FJAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 35647550 HCTVOPQAZICJOP-XNTDXEJSSA-N 373.275 4.840 0 40 FJAB O=C(Cc1ccc(-c2nc3ccccc3s2)cc1)NC1CCCCC1 41127098 SLWFALMWVJHIED-UHFFFAOYSA-N 350.487 4.955 0 40 FJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44765821 AWBSTRWUQDUWJU-GJZGRUSLSA-N 361.869 4.610 0 40 FJAB O=C(OCCCc1ccccc1)c1csc(NCc2ccccc2)n1 58668873 ICIRQYSDDOBKAT-UHFFFAOYSA-N 352.459 4.545 0 40 FJAB CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215387 CFLZMGSGPJUNOT-GOSISDBHSA-N 359.514 4.923 0 40 FJAB CCCc1ccc(-c2ccc(NC(=O)CCCNC(=O)C3CC3)cc2)cc1 72288701 ISGQPZGFFUBWTN-UHFFFAOYSA-N 364.489 4.551 0 40 FJAB CC[C@@](C)(NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(F)(F)F 72298244 ZUPHQPDERJWJRU-OAHLLOKOSA-N 360.376 4.718 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100742390 VUUHTGJJJVCBFX-HFKUYRRBSA-N 372.509 4.514 0 40 FJAB biogenic CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccccc1 107960570 NOOMNMBZDHHPHL-LJQANCHMSA-N 366.486 4.804 0 40 FJAB CCC(=O)Nc1cccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 107966588 NLMKTGROLLQSGV-UHFFFAOYSA-N 352.217 4.699 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 113943090 CJBJPHVOFYHHPM-QGZVFWFLSA-N 369.505 4.855 0 40 FJAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(OCCSc2ccccc2)cc1 113948915 LVASPPKCRNMDQU-HGHGUNKESA-N 367.514 4.776 0 40 FJAB Cc1c(C(=O)NCC(C)(C)c2ccc(F)cc2)n(C)c2ccc(Cl)cc12 141597242 YEPNCGNJLOJNIC-UHFFFAOYSA-N 372.871 4.987 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 216316191 SYFPBDQPDZOUFV-OAQYLSRUSA-N 373.468 4.519 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc1C 219513802 QVVDXKWBBAZSFX-LJQANCHMSA-N 369.505 4.607 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 223551500 OPBAWLUBVRMUPM-HNNXBMFYSA-N 357.450 4.542 0 40 FJAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Sc1ccc(Cl)cc1 225067018 SLPIYAOQSSQXPZ-CQSZACIVSA-N 371.683 4.891 0 40 FJAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc5ccccc45)OCC[C@@]31C2 257244445 ILHZGPSPZYBISE-PGDPNNLMSA-N 363.501 4.858 0 40 FJAB COc1cccc(CNC(=S)c2ccccc2OCc2ccccc2)c1 408576579 PXLSBACMSWZQPI-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 409211653 MLJFXFXNJLCYCU-RAXLEYEMSA-N 354.269 4.676 0 40 FJAB C[C@@H](c1cc(F)ccc1F)N(C)c1nc(-c2ccccn2)nc2c1CCC2 524197799 YNXGSFRORBZHRI-ZDUSSCGKSA-N 366.415 4.503 0 40 FJAB Cc1cccc(CC2(O)CCN(C[C@H](c3ccccc3)C(C)C)CC2)c1 1560797654 KMXSCPBSTLPKJB-QHCPKHFHSA-N 351.534 4.804 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c(C)c1 1459926 LHXFVCLNRUDXJF-IBGZPJMESA-N 364.489 4.727 0 40 FJAB CC(C)Cc1nc2sc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2273170 NAMKXWSLBQKUOH-UHFFFAOYSA-N 361.898 4.943 0 40 FJAB CCOc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn23)c1 2415321 LJIPMUIHYRSXCR-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB Cc1ccc(CN2CCc3c(OCc4ccccc4)cccc3C2=O)cc1 2716402 SKIJZWVEKMNDCY-UHFFFAOYSA-N 357.453 4.773 0 40 FJAB CCOc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1OC 4922793 CXZXDLFDLBSVMK-UHFFFAOYSA-N 369.442 4.574 0 40 FJAB Fc1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CC2)cc1 5312947 WLEFOBNCVIRJDS-UHFFFAOYSA-N 373.428 4.729 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 5471412 AIQPTHWJBCSOTD-UHFFFAOYSA-N 362.267 4.764 0 40 FJAB COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1 5827168 DPLDQUBXMGXGOQ-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB C[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1cccc(Cl)c1 7305305 SUGILNKJFFXBJM-VMPCVLLUSA-N 356.274 4.645 0 40 FJAB CC(C)(C)c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1 7725752 WAPIPNWXPGGGDB-UHFFFAOYSA-N 366.461 4.811 0 40 FJAB COc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 7988398 YAHGWNCZVGTYHR-UHFFFAOYSA-N 374.462 4.689 0 40 FJAB Cc1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10507301 BJTRXYFQSXCYKW-UHFFFAOYSA-N 360.417 4.833 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(Cl)ccc3F)c12 12766344 XLUMSDUKGOZLSZ-UHFFFAOYSA-N 371.755 4.836 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)o2)cs1 12884194 DAWWXKDVEMMPFE-UHFFFAOYSA-N 367.257 4.948 0 40 FJAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 14698201 UEEHAONVEZGCDZ-UHFFFAOYSA-N 365.458 4.638 0 40 FJAB Cc1ccc(SCC(=O)Nc2ccc(Br)cc2C)cc1 15186945 KOWXBNJSQJVRKF-UHFFFAOYSA-N 350.281 4.797 0 40 FJAB Cc1ccccc1-n1nc(C)c(CN(C)Cc2cccc3ncccc23)c1C 19237576 WIKURSNHYJEFNJ-UHFFFAOYSA-N 370.500 4.978 0 40 FJAB COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19323987 YQBLZBIKFFYZJG-UHFFFAOYSA-N 358.485 4.712 0 40 FJAB CC[C@@H](NC(=O)c1oc2cc(C)ccc2c1C)c1c(C)nn(CC)c1C 19500417 RZVYVFXRNRRQFB-QGZVFWFLSA-N 353.466 4.764 0 40 FJAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCCC1=CCCCC1 23127263 QLJPVRDGZPPOHQ-UHFFFAOYSA-N 350.418 4.637 0 40 FJAB CCn1cc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cn1 28579147 SGWQHLQEOMZDCN-UHFFFAOYSA-N 355.250 4.552 0 40 FJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2cc(F)ccc2[nH]1 32755564 IWTGSJQLJSZEJP-UHFFFAOYSA-N 351.208 4.886 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 44902246 NIVIHSMZMAQHLE-HXUWFJFHSA-N 355.478 4.639 0 40 FJAB FC(F)(F)c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169370 AZSGIFKRWWNZCD-INIZCTEOSA-N 373.378 4.745 0 40 FJAB biogenic,in-vitro C[C@H](COCC(F)(F)F)NC(=O)Nc1ccccc1-c1cccs1 65359869 DFVSDILIJACPPO-LLVKDONJSA-N 358.385 4.504 0 40 FJAB CC(=O)c1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760829 VFEJDPSYCJFKRZ-UHFFFAOYSA-N 354.353 4.597 0 40 FJAB Fc1cccc(-c2cnc(-c3ccncc3)c(CNCc3ccncc3)c2)c1 72343218 HYVLLKRXLQLDDR-UHFFFAOYSA-N 370.431 4.635 0 40 FJAB CC(=O)c1cc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)n(C)c1 83815647 LJXBOBSQHZQZRS-UHFFFAOYSA-N 358.397 4.893 0 40 FJAB COc1cc2c(cc1OC)/C(=C\c1cccc(Cl)c1Cl)C(=O)OC2 86045520 HJHPWCCPOBPLTI-AWNIVKPZSA-N 365.212 4.608 0 40 FJAB O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCC(Cl)=C(Cl)C1 95467138 SNQYHCQMAAVYTF-UHFFFAOYSA-N 359.228 4.684 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 218968487 ZYIQPDIUCOPYJC-UHFFFAOYSA-N 373.452 4.860 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 219953001 QAZFDSBRPUQOFK-UHFFFAOYSA-N 367.873 4.541 0 40 FJAB Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)(C)C)cc1 223256723 YXPVTKHEWGXKEY-UHFFFAOYSA-N 361.449 4.879 0 40 FJAB in-vitro CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc2ccccc2c1 223627434 SMLKSTMYCWILLQ-QFIPXVFZSA-N 363.457 4.501 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccc(Cl)cc1 224496118 IONIKDSDPWBAEB-AWEZNQCLSA-N 361.869 4.846 0 40 FJAB Cc1ccc(CCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224699842 HKJIWAYYDBBRIV-UHFFFAOYSA-N 364.533 4.538 0 40 FJAB CCOc1ccc(C(=O)NCCC(C)C)cc1COCc1ccccc1 224752091 XJFCLRBBAFMFKC-UHFFFAOYSA-N 355.478 4.578 0 40 FJAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)s1 224847266 PIYGZUYESKBMFP-CQSZACIVSA-N 373.503 4.599 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1C 225493654 MIEWWSJUDFRGAT-LJQANCHMSA-N 370.518 4.855 0 40 FJAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccc(OC)c(OC)c1 225718226 WTSUZXYAHKVIKO-HNNXBMFYSA-N 374.506 4.540 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1C 225791378 QGOZIWUADCBJIS-KRWDZBQOSA-N 372.534 4.845 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3c(F)cccc3F)n2)cc1 225836035 CQGMIEAPTHVUSL-UHFFFAOYSA-N 371.387 4.710 0 40 FJAB CCc1ccc2oc(-c3ccc(I)c(C)c3)nc2c1 226239459 ANHXUJYURJBYTB-UHFFFAOYSA-N 363.198 4.970 0 40 FJAB COC(=O)c1ccc(OCc2cccc3ccccc23)c(Br)c1 226324997 DNBLFHPASWYEOP-UHFFFAOYSA-N 371.230 4.968 0 40 FJAB CC(C)CCC[C@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257304469 SLVFDMWJBRJJMC-NNWRFLSQSA-N 373.537 4.817 0 40 FJAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCC(C)C 408735453 SDUCZYTXQKVVFT-UHFFFAOYSA-N 358.463 4.724 0 40 FJAB COc1ccc(CCCc2nnc(SCc3ccccc3F)o2)cc1 409017717 SXAMNNXXQCQFTR-UHFFFAOYSA-N 358.438 4.685 0 40 FJAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Cl)c1O 409110391 VPNLBWWVRAFJPH-NVNXTCNLSA-N 357.837 4.597 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 501454878 OBRMQJGRZZHNPK-QGZVFWFLSA-N 353.462 4.836 0 40 FJAB CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(SC)nc21 504797693 BXMJCDDVBCMTNA-UHFFFAOYSA-N 366.273 4.507 0 40 FJAB O=C(NCc1nc(C2CCCCC2)cs1)c1cc(-c2cccs2)on1 575609591 YNRXNBVJLQITCT-UHFFFAOYSA-N 373.503 4.837 0 40 FJAB O=C(N1CC[C@H](c2ccc3c(c2)CCO3)C1)C1(c2cccs2)CCCC1 585148859 JWMBHACITKBHCS-SFHVURJKSA-N 367.514 4.511 0 40 FJAB Fc1ccc(-c2cnc(CSc3ccc(-c4ccco4)nn3)o2)cc1 1166434182 SDQIDRXHJJVXIV-UHFFFAOYSA-N 353.378 4.823 0 40 FJAB CCOP(=O)(Cc1coc(-c2ccc(Br)cc2)n1)OCC 1776004187 MDPTYPZBPBMJDQ-UHFFFAOYSA-N 374.171 4.870 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)CCC(F)(F)F)CN1c1cccc(F)c1 2037988436 ICTDYWUCUMDNIY-SFHVURJKSA-N 372.406 4.518 0 40 FJAB CCOc1ccc(S(=O)(=O)N2c3cc(C)ccc3C(C)=CC2(C)C)cc1 727756 VTYVKFSBQODZFU-UHFFFAOYSA-N 371.502 4.785 0 40 FJAB CC(C)Oc1ccc([C@@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 822599 CGNFTBAYNOZJGF-DHIUTWEWSA-N 353.506 4.777 0 40 FJAB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952269 VFWWPLZTJBHPCO-HUUCEWRRSA-N 366.413 4.569 0 40 FJAB biogenic C[C@H]1CN=C(N(CCc2ccccc2)C(=O)Nc2ccc(Cl)cc2)S1 1044139 ZRKZAERFMHVWBX-AWEZNQCLSA-N 373.909 4.908 0 40 FJAB COc1ccccc1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 1424560 JGVLEJZEVUCUDF-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)cc1 1911543 HRQRJLXQTADHMP-UHFFFAOYSA-N 354.233 4.800 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 2762472 NUSJOVIOPBNKIT-ZDUSSCGKSA-N 357.841 4.944 0 40 FJAB O=C(CCC(=O)c1cccs1)Nc1ccc(OCc2ccccc2)cc1 3312803 ACNITBSOSZUDRB-UHFFFAOYSA-N 365.454 4.929 0 40 FJAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1ccc(F)cc1 4865293 HJOPLGGNGKLDRP-XNTDXEJSSA-N 371.415 4.985 0 40 FJAB Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)ccc12 5616433 UQCHXTFXMAQRMP-UHFFFAOYSA-N 371.893 4.825 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 5965363 JFUDOCPUOAWBAC-INIZCTEOSA-N 363.413 4.894 0 40 FJAB Cc1nnc(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)O)o1 7603726 IXQIRRMRQCAUOZ-YVLHZVERSA-N 370.430 4.536 0 40 FJAB Cc1c(Cl)c(CSc2nnc3n2CCCCC3)nc2ccccc12 8075746 ZETXSSWQGIRXFH-UHFFFAOYSA-N 358.898 4.807 0 40 FJAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 8165970 RNPJDYIJAZEAHG-QGOAFFKASA-N 372.380 4.822 0 40 FJAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1cccs1)c1cc2ccccc2o1 8311970 ONSORQBBMPGHMI-GDBMZVCRSA-N 354.475 4.509 0 40 FJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc21 8807597 SWRKDOJEOOENPR-UHFFFAOYSA-N 361.470 4.940 0 40 FJAB O=C(CCCc1cccs1)NCc1ccccc1COc1ccccc1 9390194 IESUGZNATUHOJI-UHFFFAOYSA-N 365.498 4.966 0 40 FJAB Cc1cc(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)c(C)s1 9909258 VZCZNYFRTRFVMA-UHFFFAOYSA-N 354.460 4.617 0 40 FJAB O=C(c1ccccc1)C1CCN(Cc2cc3ccccc3nc2Cl)CC1 10833045 OVAUVAKAEOSESQ-UHFFFAOYSA-N 364.876 4.983 0 40 FJAB COc1ccc2oc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc2c1 10882377 PSJUEJYSNSSGBX-UHFFFAOYSA-N 368.389 4.956 0 40 FJAB CN1O[C@H](COC(=O)c2ccc(Cl)cc2Cl)C[C@@H]1c1ccccc1 12338563 FPSQOSUDABANES-WMLDXEAASA-N 366.244 4.527 0 40 FJAB COc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 12749020 XVHUBZRTTVNCRC-NSHDSACASA-N 366.486 4.504 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccsc1 12770681 WPTSXMVPWBVUGJ-UHFFFAOYSA-N 358.507 4.754 0 40 FJAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCC[C@H]1c1ccccc1 12786949 RAKNCSBIZFWSNG-KQDNUWKFSA-N 362.502 4.906 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccsc2)no1 12905568 ICOQLYYWSJCBOK-UHFFFAOYSA-N 355.463 4.801 0 40 FJAB CC(C)c1ccc([C@@H]2CC(=O)c3cn4c(nc3C2)nc2ccccc24)cc1 13238081 ADQWLNPBTLJDLG-KRWDZBQOSA-N 355.441 4.919 0 40 FJAB COc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 13686387 VQHSVULGRFPZKL-UHFFFAOYSA-N 353.873 4.820 0 40 FJAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 18233427 IRLDZQMYXSGQTB-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB O=C(OCc1cc(-c2ccco2)on1)C1(c2cccc(F)c2)CCCC1 19109421 GKDOLOPGDZRDAB-UHFFFAOYSA-N 355.365 4.629 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 20038692 MVLGYNQIOSQFLJ-YLJYHZDGSA-N 355.478 4.737 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 20455526 JMCYPXIXMHEVDA-HXUWFJFHSA-N 369.461 4.748 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cccs1 20745168 FAMYLLQMGBSNPR-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB 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4.767 0 40 FJAB FC(F)(F)c1ccc(Cl)c(NC(=S)Nc2ccc3c(c2)OCO3)c1 13792056 FGCNCJCQURRTGB-UHFFFAOYSA-N 374.771 4.896 0 40 FJAB C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccccc1 13938127 WUMOBQQHQUPKGG-VIFPVBQESA-N 364.681 4.686 0 40 FJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1 14849196 YNBYLIOTGJLOGB-LBPRGKRZSA-N 363.244 4.523 0 40 FJAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1cccs1 16091558 QFQBBWADIRDYPA-CYBMUJFWSA-N 362.303 4.581 0 40 FJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 20046018 DKPJVZGHAVEQFL-INIZCTEOSA-N 363.413 4.894 0 40 FJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)c(Cl)c1 20139366 KTUPNTALDNRPAV-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB Cc1cc(C(=O)Nc2cc(C)nc3c(F)cc(F)cc23)c2ccccc2n1 20745709 JGSIFCKWAQBYFY-UHFFFAOYSA-N 363.367 4.930 0 40 FJAB c1ccc(Cc2nnc(SCc3coc(-c4cccs4)n3)o2)cc1 22513811 UCANUALKEWGGLQ-UHFFFAOYSA-N 355.444 4.669 0 40 FJAB COc1ccc([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1F 24078547 CTVQNEDGGWSDBA-INIZCTEOSA-N 363.432 4.921 0 40 FJAB COc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)C2CC2)c(OC)c1 25291955 MFDKBLCUAKTMLN-UHFFFAOYSA-N 367.489 4.806 0 40 FJAB O=C(CCCc1cccs1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 32869004 NSXCJFIZGHJGFD-UHFFFAOYSA-N 370.499 4.768 0 40 FJAB CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1ccccc1 34557218 XPPIZIALVLDCOF-OYRHEFFESA-N 374.480 4.862 0 40 FJAB COc1cc(CO)c(Br)cc1OCc1cccc2ccccc12 34772799 FBXSZPSVRZIQOO-UHFFFAOYSA-N 373.246 4.682 0 40 FJAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(F)cc1 35647338 AFHCHAYUDNNZPQ-VGOFMYFVSA-N 350.777 4.510 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 36625250 PQGRHXVNOPHYSC-UHFFFAOYSA-N 370.924 4.575 0 40 FJAB Cc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2ccccc2n1 48263750 UZWIAJSQKNHRBV-HSZRJFAPSA-N 367.452 4.800 0 40 FJAB c1cc(-c2scc3c2OCCO3)sc1-c1scc2c1OCCO2 72232706 XLLUGGFGFHVJBV-UHFFFAOYSA-N 364.469 4.748 0 40 FJAB O=C(CN1CCC(c2cccs2)CC1)Nc1cccc(C(F)(F)F)c1 85473446 ZNELTECONCLARM-UHFFFAOYSA-N 368.424 4.585 0 40 FJAB O=C(c1ccc(Br)o1)N(Cc1ccoc1)Cc1cccs1 90612165 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CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCC(Cc2ccccc2)CC1 222950771 VANNIQBOBFHPSA-JOCHJYFZSA-N 365.517 4.942 0 40 FJAB O=C(NCc1ccccc1-c1ccc(Cl)cc1)c1c[nH]c2ncccc12 524267903 ILLLXKHJYMOHIJ-UHFFFAOYSA-N 361.832 4.813 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccccc2F)CN1c1cccc(F)c1 1615160428 ZZFWJUHSYOFNJY-QFIPXVFZSA-N 370.443 4.629 0 40 FJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)c3cccs3)n12 929722 GVFXJBQZRGZDPE-UHFFFAOYSA-N 367.499 4.844 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1 1040897 BZVQAWQFFYPPAB-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB CC(=O)c1ccc(NC(=O)CCC(=O)OC2CCC(C(C)(C)C)CC2)cc1 1085126 MUPDXKHOBHMPMX-UHFFFAOYSA-N 373.493 4.756 0 40 FJAB CCOC(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 1431493 IXUISINLYOQJHC-UHFFFAOYSA-N 352.312 4.526 0 40 FJAB CCCc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1CCC2 2407848 NMZXYQSKTNEBTC-UHFFFAOYSA-N 364.474 4.886 0 40 FJAB CC(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2629523 AOCJWADXXKJZEG-UHFFFAOYSA-N 353.805 4.609 0 40 FJAB C[C@@H](SC(=S)N(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3261109 CZDASLWKKXKVDE-ZCFIWIBFSA-N 371.742 4.554 0 40 FJAB CCOC(=O)c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 3267627 PVZOTMZOOGBPHW-UHFFFAOYSA-N 354.431 4.539 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc2ccccc2o1 3354733 NAWZFXOMSRUYHG-UHFFFAOYSA-N 364.382 4.537 0 40 FJAB Cc1cc(C(=O)OCCCC(=O)c2ccc(F)cc2)c2ccccc2n1 3366820 WUMOHXAUMQBLMA-UHFFFAOYSA-N 351.377 4.502 0 40 FJAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(C)cc(C)c1 3895954 MJQVPQDQKSBNDA-YMDOPJDHSA-N 358.526 4.599 0 40 FJAB C[P@](=O)(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1 4091450 ZPSYXYAXSYOLMT-SANMLTNESA-N 366.397 4.895 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C 5512721 FQCOIRRHJCJPRU-UHFFFAOYSA-N 357.353 4.504 0 40 FJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=N)oc2c1 6517599 QLCMFTRZXOZMOA-UHFFFAOYSA-N 369.852 4.664 0 40 FJAB O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1C1CC1 7860113 YIQUWNFQUFTYFJ-UHFFFAOYSA-N 365.483 4.633 0 40 FJAB O=C(c1cc2c(s1)CCCC2)N1CCC(c2nc3ccccc3o2)CC1 8040045 IRBXRTQQNHNQQM-UHFFFAOYSA-N 366.486 4.788 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c1 8719820 QRRJRADNOFWVAC-MRXNPFEDSA-N 365.502 4.737 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 9305162 DEMYTLLEXXHWDQ-UHFFFAOYSA-N 374.396 4.770 0 40 FJAB CSc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 12312229 GIJMTOOAUXVCPF-UHFFFAOYSA-N 353.491 4.694 0 40 FJAB O=C(Nc1cnc2ccccc2c1)c1cccc(NC(=O)c2cccs2)c1 12537349 PKNKHTWCVLECJC-UHFFFAOYSA-N 373.437 4.801 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 12773109 UVDJEWGYYIYCKC-NEPJUHHUSA-N 353.796 4.571 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 12860495 FAKAYZHDSNIHEN-LBPRGKRZSA-N 372.519 4.821 0 40 FJAB CCn1c(-c2ccccc2)nn(CN(C)Cc2ccc(Cl)cc2)c1=S 13072184 YRANJQBVKSXFRT-UHFFFAOYSA-N 372.925 4.844 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 14095831 UXUAQSYPIVIAGX-UHFFFAOYSA-N 357.322 4.995 0 40 FJAB CCOc1ccccc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 15668306 KUIMUJRDLVDJSX-JXMROGBWSA-N 355.821 4.709 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4C)nc32)cc1 15842241 JUNCCPNVYNCUON-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2cc(C)cc(C)c2)c2ccccc2)cc1 20039191 YRXGRTLQCGTYBD-DEOSSOPVSA-N 359.469 4.896 0 40 FJAB Nc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 20520936 FAYUDBGPHGFIBR-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB Cc1ccc(NC(=O)c2c(C)nc3cc4c(cc3c2C)OCO4)cc1Cl 22463555 LICHUVAGGNITRC-UHFFFAOYSA-N 368.820 4.794 0 40 FJAB COc1cc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1OCc1c(C)noc1C 22773499 YHMSQQLGCFGBKM-AUSJPIAWSA-N 372.509 4.793 0 40 FJAB COc1cccc2sc(NC(=O)c3cc4ccc(F)cc4nc3C)nc12 24780906 DYYVJJBHTHVPSO-UHFFFAOYSA-N 367.405 4.553 0 40 FJAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c2cccnc12 24988797 GDURIQMLKLTDOI-UHFFFAOYSA-N 365.483 4.909 0 40 FJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc4ccccc4c3)n2)C1 28683046 XMJLPXFYYTYERA-HNNXBMFYSA-N 365.502 4.781 0 40 FJAB Fc1ccc([C@@H]2CN(Cc3csc(-c4ccsc4)n3)CCO2)cc1 29657584 QBQAHQZCJMBUNL-KRWDZBQOSA-N 360.479 4.584 0 40 FJAB CCN1C/C(=C\c2ccc(C)s2)c2nc3ccccc3c(C(=O)O)c2C1 32642190 KFJHIVVWZSGNEF-GXDHUFHOSA-N 364.470 4.679 0 40 FJAB S=c1n(CN(C2CCCCC2)C2CC2)nc2sc3ccccc3n12 32823925 AGFSIDORDGTHBG-UHFFFAOYSA-N 358.536 4.835 0 40 FJAB Cc1noc(C)c1C(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 45403389 SPFOKBPWGABYOD-LLVKDONJSA-N 352.356 4.676 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC(F)F)cc3)c2)[nH]c1C 57992468 YSJZSRGHXQHNEO-UHFFFAOYSA-N 357.360 4.547 0 40 FJAB C[C@H]1CCc2ccccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 65575537 AWPMKSKPPTWDNM-KRWDZBQOSA-N 374.440 4.621 0 40 FJAB Fc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348822 XBLNONSDNSXGDJ-FQEVSTJZSA-N 361.464 4.586 0 40 FJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3ccccc3)C2)n1 72379092 UIXFWAQRGTULBJ-FQEVSTJZSA-N 360.505 4.770 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)o1 95350879 UENNAMFBZPTYIU-AAEUAGOBSA-N 372.490 4.586 0 40 FJAB COc1ccc(Oc2cc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)ccc2OC)cc1 102707812 WFJNEKHIDUYLJO-YZVOILCLSA-N 365.429 4.647 0 40 FJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(Cl)cc2)cn1 223930499 SCVPCDWGGQCAFJ-CQSZACIVSA-N 374.941 4.600 0 40 FJAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 224656469 PHCJOZYAWZYNSK-LBPRGKRZSA-N 372.317 4.736 0 40 FJAB Cc1ccc2oc(CCC(=O)Nc3ccc(Cc4ccncc4)cc3)nc2c1 224947576 PPPHRQHPZNSISM-UHFFFAOYSA-N 371.440 4.693 0 40 FJAB O=C(CCCc1nc2ccccc2o1)Nc1ccc(Cc2ccncc2)cc1 224951518 CJWMUFGPKAJSLW-UHFFFAOYSA-N 371.440 4.775 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(C)c(C)c1 225558810 VTSKZAIPGJUZLH-FQEVSTJZSA-N 367.489 4.663 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225641592 UYXSHYJCVDHQFU-CYBMUJFWSA-N 368.424 4.768 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3cccc(F)c3)CCCC2)cc1 225855131 HBSQDQDSPGESOX-UHFFFAOYSA-N 358.482 4.980 0 40 FJAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccccc3Cl)c2)cs1 226097709 ASHSGZPPDDBIGH-UHFFFAOYSA-N 373.865 4.766 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257297110 RFWYZZSZNWJGEW-RRARJMIVSA-N 369.427 4.866 0 40 FJAB CC(C)CN(C(=O)c1ccnn1C1CCCC1)[C@@H]1CCCc2cccnc21 330034605 WNPZWHAAURDEFO-LJQANCHMSA-N 366.509 4.569 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)NCCSCc1c(F)cccc1Cl 409023354 RPDPHDYEAJRMJX-RMKNXTFCSA-N 367.848 4.681 0 40 FJAB O=C1OC(c2ccc(OCc3ccccc3)cc2)=N/C1=C/c1cccs1 703409 HQIPVSRVCPNVTQ-CPNJWEJPSA-N 361.422 4.672 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)cc1 799481 DCPCEILCVBPXLT-UHFFFAOYSA-N 366.284 4.601 0 40 FJAB COc1ccccc1C(=O)Nc1cc(NC(=O)c2cccs2)ccc1C 1330030 IGMLKMACNWZMGE-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB CC(=O)CSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 2193574 WYGNSWNSWKRVRL-UHFFFAOYSA-N 356.472 4.538 0 40 FJAB CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccc3c(c2)OCO3)C1(C)C 2484926 VYMWBXBZMKCLPE-VQTJNVASSA-N 353.418 4.521 0 40 FJAB CCC(=O)Nc1ccc(-c2ccnc(-c3ccc(NC(=O)CC)cc3)n2)cc1 3186867 JHOHVPXKOFROLE-UHFFFAOYSA-N 374.444 4.508 0 40 FJAB Cc1cccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c1C 3219372 YUNBULQIDBKKJL-UHFFFAOYSA-N 373.452 4.695 0 40 FJAB Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 3299025 FZNKOUVYHKHYBH-JOCHJYFZSA-N 374.440 4.558 0 40 FJAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3cccs3)nc2c1 3911501 ZNWIPYRKPNLPFX-UHFFFAOYSA-N 363.442 4.886 0 40 FJAB aggregator O=C(/C=C/c1ccccc1)Nc1ccccc1OC(=O)/C=C/c1ccccc1 4666490 REZCGSGVUQHFQU-YTEMWHBBSA-N 369.420 4.957 0 40 FJAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CC)c(C)s1 4893851 DOJASKWULZFUSM-UHFFFAOYSA-N 371.506 4.546 0 40 FJAB COc1cc(C(=O)N(C)Cc2cccs2)ccc1OCc1ccccc1 6405228 RJVCIODQJBVQKX-UHFFFAOYSA-N 367.470 4.608 0 40 FJAB COc1ccc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6540133 WEGVOWWCVZZIHX-HILYYZTDSA-N 359.535 4.508 0 40 FJAB Cc1oc2cc(OCCN3CCCCC3)ccc2c(=O)c1-c1ccccc1 6764483 WLYWDNGEULSBAS-UHFFFAOYSA-N 363.457 4.633 0 40 FJAB biogenic COc1ccc(Nc2ccccc2NC(=O)c2cccc(N(C)C)c2)cc1 6821095 VPOBGKWTGKXEEF-UHFFFAOYSA-N 361.445 4.757 0 40 FJAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2c(F)cccc2F)c1Cl 7405395 ILWYRUIHAUDDJA-UHFFFAOYSA-N 366.216 4.689 0 40 FJAB O=C(c1ccccc1)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 8075191 FXYNJBYZRAEDNZ-IBGZPJMESA-N 364.474 4.505 0 40 FJAB CCCCn1c(SCc2ccc(OC)c(F)c2)nc2ccccc2c1=O 8195007 ULNGTHOEEOLADP-UHFFFAOYSA-N 372.465 4.637 0 40 FJAB COc1ccc2nc(/C=C/c3ccc(OC)c(OC)c3OC)sc2c1 8322211 ZGYQWAPHBYESKJ-UXBLZVDNSA-N 357.431 4.501 0 40 FJAB Cc1cccc(OCc2nc(C)c(C(=O)N[C@H](C)c3cccs3)s2)c1 9251026 JAZHBPBOXBSJCG-CYBMUJFWSA-N 372.515 4.891 0 40 FJAB CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccccc3nc21 9330085 VIHHYRGIXHAHJL-UHFFFAOYSA-N 374.444 4.646 0 40 FJAB COc1ccc2cc(C(=O)Nc3ccc(Br)cc3)c(C)nc2c1 10403450 ROGFSDPEAYEOSX-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB CCOC(=O)c1cnc2ccc(CC)cc2c1Nc1cccc(OC)c1 11990268 XYLUKIDXZPCSSY-UHFFFAOYSA-N 350.418 4.726 0 40 FJAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 12618511 MWVNZIRKSYQWEM-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB COc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12798444 PRAIVQWCQXANRV-GZKZCVOOSA-N 364.470 4.682 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(Cl)cc1Cl 12807129 HSAUDOIKPZFSBE-CQSZACIVSA-N 370.301 4.970 0 40 FJAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Cl 13759234 VNHJJIHKJSJXFE-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB CCOC(=O)c1sc2ncnc(N[C@H](c3ccccc3)C3CC3)c2c1C 14301224 PLEOTAUUWKVYEG-MRXNPFEDSA-N 367.474 4.740 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(OCC)c3ncccc23)c1 15840841 NLRUVVRDNONWCG-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB O=c1cc(CSc2ccccc2Br)c2ccc(O)cc2o1 16360546 AMPIEZRGELWPCP-UHFFFAOYSA-N 363.232 4.553 0 40 FJAB FC(F)(F)c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 17074059 NICXXYXCTUMPEV-UHFFFAOYSA-N 359.101 4.778 0 40 FJAB Cc1cc(NC(=O)Cc2coc3cc(C)c(C)cc23)n(C2CCCC2)n1 19125495 KUIVYJOXLPSHII-UHFFFAOYSA-N 351.450 4.851 0 40 FJAB Oc1nc(SCc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c12 21883825 VMTMIYVFHGKLQR-UHFFFAOYSA-N 351.406 4.762 0 40 FJAB O=C(CCc1ccccc1)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28574378 ANXPGCIOPZLVBJ-UHFFFAOYSA-N 373.378 4.522 0 40 FJAB COc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2c1 29689515 DFSVONKAIUTPKI-LBPRGKRZSA-N 354.837 4.696 0 40 FJAB CCn1cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)c2ccccc21 32784621 DHJSJPNBKPWPCD-UHFFFAOYSA-N 358.825 4.584 0 40 FJAB O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832548 XTICFKZJQJYKHG-OAHLLOKOSA-N 369.336 4.654 0 40 FJAB CCCCOc1ccc2oc(C)c(C(=O)NCc3ccc(F)cc3)c2c1 46086173 HUKMHHVGFHCZQQ-UHFFFAOYSA-N 355.409 4.989 0 40 FJAB CC(C)[C@H](NCC(=O)Nc1c(F)cccc1F)c1ccc(Cl)cc1 57381110 RVTKJQQIJAOTHH-KRWDZBQOSA-N 352.812 4.544 0 40 FJAB Cc1nc(SCC[S@](=O)c2ccccc2)n(C2CCCCC2)c1C 84051868 KRTPOULFNVRYMC-XMMPIXPASA-N 362.564 4.905 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](C2CCCCC2)S1 96117813 DIRCOVAOEBNQQC-GOEBONIOSA-N 363.527 4.725 0 40 FJAB CC(C)Oc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101014792 UVRPVXQWNNHABD-QGZVFWFLSA-N 374.278 4.539 0 40 FJAB COC(=O)c1ccc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1 206876920 VYVZXERLLYEZFZ-GOSISDBHSA-N 371.864 4.537 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1C 219310255 RGXXSXJJBZRRJR-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222622856 BMOCAGXSICQZPB-ORYQWCPZSA-N 374.513 4.770 0 40 FJAB O=C(NCCOCc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 223448450 LKYVSDDXZGMUAF-PTGBLXJZSA-N 357.453 4.560 0 40 FJAB CCOc1ccc(C(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 223480322 AANWMTBRLZOTIN-IBGZPJMESA-N 353.462 4.898 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(SC)c3)o2)cc1 224852937 KTGNQLWGUHHODL-UHFFFAOYSA-N 368.458 4.643 0 40 FJAB S=C(Nc1ccc(Br)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225322238 YXWUIXAVLOELQX-IGJMFERPSA-N 359.720 4.578 0 40 FJAB COc1cc(CNC(=S)Nc2cc(C)ccc2C)ccc1OC(C)C 225530075 RBGKVVVSBQLDKN-UHFFFAOYSA-N 358.507 4.586 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c(C)c1 225537529 IJGITROGWIMJEY-INIZCTEOSA-N 370.518 4.836 0 40 FJAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(F)cc2F)c1 225565235 XDOYGPYOLNCRTF-UHFFFAOYSA-N 364.461 4.671 0 40 FJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225895694 CRWPWXKNIBTUOI-OAQYLSRUSA-N 358.482 4.803 0 40 FJAB CCCCOc1ncc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C 225911578 HFNDPQMLGJTECF-IIBYNOLFSA-N 362.514 4.883 0 40 FJAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(N)c1 226347901 BOBFTXQSSBJXRX-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 408628513 UJIXMMIGYBHLCK-UHFFFAOYSA-N 372.799 4.794 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCC2)cc1 408674842 DBUQRPSWVLZTDY-UHFFFAOYSA-N 360.457 4.546 0 40 FJAB C[C@@H](Cc1cccc(Br)c1)NCc1ccc2ncccc2c1 620123828 WBIXYXIFYJEFCA-AWEZNQCLSA-N 355.279 4.718 0 40 FJAB O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1Cc1ccco1 670417838 PWZFTRICCOEUEZ-UHFFFAOYSA-N 361.441 4.544 0 40 FJAB O=C(c1ccc(Oc2ccccc2Cl)cc1)N1Cc2ccc(O)cc2C1 1641767573 CXAZCYLPMABMAQ-UHFFFAOYSA-N 365.816 4.994 0 40 FJAB COc1ccc(CCC(=O)NCc2cc(-c3ccsc3)cs2)cc1 1889072782 OZWHHUCATLFIIW-UHFFFAOYSA-N 357.500 4.734 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 659357 IDARKOOFZDJPHY-UHFFFAOYSA-N 362.410 4.601 0 40 FJAB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2Cc2ccccc2)cc1 721689 LLPZKXCJXCNRAR-CJLVFECKSA-N 352.437 4.825 0 40 FJAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(O)cc2)c1C 790748 NGIHENBALAYATP-UHFFFAOYSA-N 366.442 4.575 0 40 FJAB O=C(C1CC1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932799 JUNYIKHDKLPGEW-UHFFFAOYSA-N 358.850 5.000 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1Cl 934665 UILANXODYRVIRA-NSHDSACASA-N 368.658 4.817 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccccc1 2314425 RNLNCKCQOBKVKK-UHFFFAOYSA-N 356.425 4.532 0 40 FJAB O=C(Nc1ccc(SC(F)F)cc1)c1c(Cl)nc2ccccn12 3230510 PWVLOHAMOZLSON-UHFFFAOYSA-N 353.781 4.555 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1OCCC 3344715 OOHOEUXJFFVCSW-UHFFFAOYSA-N 353.462 4.935 0 40 FJAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 3504379 DJHVMUGTZRTBTL-UHFFFAOYSA-N 361.397 4.699 0 40 FJAB O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 4893664 XBWALHTXUWZMLW-LJQANCHMSA-N 374.845 4.721 0 40 FJAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)c1 5012204 SQTAFRFKMVPXNN-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB COc1cccc2[nH]c3c(N4C[C@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c12 5155812 QIEYHUJTNVMLIU-LRTDBIEQSA-N 350.466 4.525 0 40 FJAB CCCC(=O)N(Cc1ccccn1)c1nc2c(C)ccc(Cl)c2s1 5265402 RTFWCYHQTYLYRZ-UHFFFAOYSA-N 359.882 4.986 0 40 FJAB CCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3)c3cccc([nH]1)c23 6154573 ZOAXWVNNDSRGDN-UHFFFAOYSA-N 359.385 4.516 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)N[C@H](C)CCCc3ccccc3)sc2C1 6551177 LXFZPGNFVYHECA-HUUCEWRRSA-N 357.523 4.801 0 40 FJAB O=CN1[C@@H](c2ccccc2)c2ccc3cccnc3c2O[C@@H]1c1ccccc1 6616199 WXSCYJKDKAYXAQ-LADGPHEKSA-N 366.420 4.874 0 40 FJAB O=C(NC1CCCC1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 6678073 DADGHZQJSLKRTA-UHFFFAOYSA-N 373.412 4.822 0 40 FJAB C[C@@]12C[C@@H](NC(=S)N1c1cccc(Cl)c1)c1cccc(Cl)c1O2 8023795 ZMRGRFAHNXSYSA-RHSMWYFYSA-N 365.285 4.928 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 8136539 ICQNXQQCTUWPLJ-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB Cc1nc2cc(NC(=O)/C=C/c3c(C)nn(-c4ccccc4)c3C)ccc2o1 8369281 ZHWRYCMMRFKZAV-ZRDIBKRKSA-N 372.428 4.591 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1 8586790 QZGZZEJADPJPTK-HNNXBMFYSA-N 372.534 4.928 0 40 FJAB O=C(NC1CCCCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063449 AYPFOICIRJVACL-UHFFFAOYSA-N 362.945 4.781 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1nnc(SCCc2ccccc2)s1 9323982 CCNXSCHFZKQOSC-UHFFFAOYSA-N 374.466 4.656 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1c[nH]c(=S)n1-c1ccc(F)cc1 9336439 FBRFSGKSMXPHJL-UHFFFAOYSA-N 370.434 4.536 0 40 FJAB COC(=O)c1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1C 10338862 QUEFGUIGQKTJFY-UHFFFAOYSA-N 353.462 4.650 0 40 FJAB CCn1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 11738134 YOUVNLXCMAUZTG-UHFFFAOYSA-N 374.469 4.946 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)cc2)cc(-c2ccccc2)n1 12016801 WOZZXIGXFFGWNG-CYBMUJFWSA-N 367.449 4.710 0 40 FJAB C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12992691 YETOIUREXXRDSP-IRXDYDNUSA-N 364.464 4.677 0 40 FJAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3s2)C1 13109107 VAQFJNZRPHUBGS-PHIMTYICSA-N 354.928 4.546 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1 13708996 UTWWHEHDIUYHIW-MRXNPFEDSA-N 351.471 4.516 0 40 FJAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C)c2)cc1OCC 16317297 ZEXPGOGVBAYJSB-OAHLLOKOSA-N 358.507 4.840 0 40 FJAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CCC[C@H]2OC(C)=O 16321849 ZUSONHKRTFWOTR-PKTZIBPZSA-N 366.457 4.764 0 40 FJAB O=C(Nc1ccccc1Cl)c1cccnc1NCCc1ccccc1 22072389 SPOFQERGMCOTFV-UHFFFAOYSA-N 351.837 4.642 0 40 FJAB Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 27749359 LRKCBFPBUHVCBQ-NRFANRHFSA-N 370.924 4.996 0 40 FJAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Cl 29795359 SZRGNXKURTZDNO-UHFFFAOYSA-N 364.150 4.822 0 40 FJAB COC(=O)c1ccccc1Nc1c(-c2cccs2)nc2cccc(C)n12 35616105 IREXXOQVGDBTNG-UHFFFAOYSA-N 363.442 4.901 0 40 FJAB CCOC(=O)[C@H](C)P(=O)(Oc1ccccc1C)Oc1ccccc1C 39138678 CCQIQGPYVKGIHQ-INIZCTEOSA-N 362.362 4.906 0 40 FJAB CC(C)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)nn1C(C)(C)C 40144277 QKHNQFIQXRVBRM-UHFFFAOYSA-N 370.522 4.643 0 40 FJAB CC(C)c1ccc(OCC(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 44447575 NUQMPRGFNMTJBB-UHFFFAOYSA-N 371.424 4.841 0 40 FJAB N#CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 51330566 RIEWJNZQWMELBG-DVOSQFSISA-N 355.441 4.723 0 40 FJAB COc1ccc2cc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)c(C)nc2c1 65552855 KKBSNZYUGPKXMV-FZKQIMNGSA-N 364.445 4.540 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c(N)cc2Cl)c1 72229069 CUJUMBXPUREKQQ-UHFFFAOYSA-N 357.885 4.719 0 40 FJAB O=C(CCCOCCc1ccccc1)N1CCC[C@H]1CCc1ccccc1 72272690 FIOVOJWIOJIPDV-QHCPKHFHSA-N 365.517 4.650 0 40 FJAB Cc1ccc(CN(C(=O)Nc2cc(C)nn2C)[C@H]2CCc3ccccc32)cc1 89632270 YKAPTAHCSFMNSQ-NRFANRHFSA-N 374.488 4.759 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1C[C@@H]1c1c(F)cccc1F 89768112 HMQGYXWNCIAILB-ZANVPECISA-N 357.187 4.949 0 40 FJAB COc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117008 CXYDZEHJPGTFEJ-MRXNPFEDSA-N 354.837 4.637 0 40 FJAB COc1ccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)cc1 96833604 SNKCGSIUEGIJMI-MHWRWJLKSA-N 357.456 4.621 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc3c(nc4sccn43)s1)C2 102401435 GIIZTSGJKWRMMP-PCJJGOFDSA-N 359.520 4.555 0 40 FJAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1 216349875 NTOCJRJIMQJUIR-CYBMUJFWSA-N 372.317 4.791 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 222866366 VTHYPECEYLIQRN-OALUTQOASA-N 353.462 4.571 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969080 AKUJFUWVHADSIQ-DYESRHJHSA-N 351.490 4.909 0 40 FJAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 223148630 BOYKDOZUIHLUBW-SECBINFHSA-N 373.956 4.811 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224452909 FRDRKDDFWVYRPZ-MSOLQXFVSA-N 369.877 4.814 0 40 FJAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480365 YRVVCKRZFLRIFC-UHFFFAOYSA-N 361.445 4.945 0 40 FJAB CC1([C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 245240074 OAWOATRDZLDNDV-UESMIQOUSA-N 362.554 4.769 0 40 FJAB Fc1ccc(N2CSC(=S)N(c3ccc(F)cc3F)C2)c(F)c1 1579653 ZDGGACOTVCQPDG-UHFFFAOYSA-N 358.385 4.503 0 40 FJAB CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 1778874 SFEKNBYAHPXZGL-HNNXBMFYSA-N 366.413 4.571 0 40 FJAB biogenic CCCc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)o2)c(OC)c1 2750465 BGDRDPZYQPPGIG-INIZCTEOSA-N 371.477 4.692 0 40 FJAB CC[C@@H](O)CNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164243 WQXDRXUNSSFKHQ-GOSISDBHSA-N 355.374 4.652 0 40 FJAB O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 3190792 DGEVENILXBHCHH-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB CC1(C)O[C@@H]2CC[C@H]3[C@H](CC[C@H]2S1)C3(Br)Br 4350124 RZTMXISELRAISC-AXTSPUMRSA-N 370.150 4.529 0 40 FJAB O=C(NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc12 4524933 QZWQPAKDPCUSFB-UHFFFAOYSA-N 363.467 4.576 0 40 FJAB CCN1C(c2ccccc2)=NN=C(c2ccc(OC)cc2)c2ccccc21 4623165 DFHUKSPSMJUVCH-UHFFFAOYSA-N 355.441 4.734 0 40 FJAB Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1=O 5441395 UCUHVKWVHMRYDJ-UHFFFAOYSA-N 358.441 4.917 0 40 FJAB O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 6890283 BLYCCTANUCLMHK-KGENOOAVSA-N 372.399 4.586 0 40 FJAB CC[C@@H](C)NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8325904 ZLIVIUPUXLYVDY-CYBMUJFWSA-N 351.849 4.955 0 40 FJAB CC[C@H]1CCCCN1Cc1c(C)nc2ccc(N(CC)CC)cc2c1O 8717369 OHEYTYLJKWSRBY-KRWDZBQOSA-N 355.526 4.860 0 40 FJAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 8748300 YFPSJGFIAHZVQC-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1 8762705 VVBCLFIUCVTQRE-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB O=C(Nc1ccnn1Cc1ccccc1)c1ccccc1-c1ccccc1 9579352 BTWVDAZVHSTTSQ-UHFFFAOYSA-N 353.425 4.851 0 40 FJAB Cc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)C3CC3)coc2c1C 10220110 RNWGZDHNRGDECW-UHFFFAOYSA-N 351.421 4.922 0 40 FJAB CCc1ccc([C@@H](NC(=O)COc2ccccc2)c2cccs2)cc1 10447655 PSAHQIGSVUXSPC-OAQYLSRUSA-N 351.471 4.595 0 40 FJAB FC(F)(F)c1ccnc(SCc2csc(Nc3ccccc3)n2)n1 12639522 GSLBYQINUABEOO-UHFFFAOYSA-N 368.409 4.988 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)Cn1c(=O)oc2cc(Cl)ccc21 14201250 JBCGJTPKIJAGBK-LLVKDONJSA-N 373.865 4.508 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)c1 16285039 TZZVGYFGTKWSFP-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577041 HPYWCFBIMUJMQY-UHFFFAOYSA-N 356.441 4.856 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(C)c1 21580236 WGIXTIAGLMPOAU-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB CCOC(=O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 22076228 HMPXENXRUDGFSH-UHFFFAOYSA-N 367.420 4.595 0 40 FJAB CSc1nc2ccccc2n1C(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 27023473 VGBMWUXCHDPMGQ-NOZJJQNGSA-N 355.290 4.990 0 40 FJAB CN(CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCc2ccccc21 29483802 NWNLBXIHYPINLX-HSZRJFAPSA-N 356.469 4.911 0 40 FJAB O=C(CSc1ccccc1)Nc1cnn(Cc2cccc3ccccc23)c1 32647465 IUWMUCXGTHOWEJ-UHFFFAOYSA-N 373.481 4.815 0 40 FJAB COc1cccc(-c2noc(CSC3=Nc4ccccc4CS3)n2)c1 32776423 LRLJCPILDWVZEG-UHFFFAOYSA-N 369.471 4.913 0 40 FJAB COc1c(Br)cc(F)cc1NC(=O)CCCc1cccs1 32899262 JDBPMAQMKCVBPV-UHFFFAOYSA-N 372.259 4.620 0 40 FJAB COc1cccc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)c1OC(F)F 36728986 UJHSDMXSNXHIBJ-XTZCOPOCSA-N 361.388 4.529 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38833711 DUAQDBYMTMKOTO-LJQANCHMSA-N 354.469 4.800 0 40 FJAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 45890487 QZMJXGFVAFNCNJ-UHFFFAOYSA-N 368.289 4.518 0 40 FJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1c(F)cccc1Cl)CO3 61997654 BOFFNXVPBUFEBJ-UHFFFAOYSA-N 373.811 4.554 0 40 FJAB biogenic Cn1ncc2c1CCC[C@@H]2NCc1ccc(Oc2ccccc2F)c(F)c1 67448903 NAPBKVJUEVDSMU-SFHVURJKSA-N 369.415 4.658 0 40 FJAB Fc1cccc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1F 72390160 SKWBWMMETQWVCB-HNNXBMFYSA-N 361.417 4.804 0 40 FJAB Cc1ccccc1NC(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165943 OZOFENMPNWJVIX-ZWKOTPCHSA-N 367.449 4.676 0 40 FJAB CCO[C@@H](C)c1nc(CN2CCc3cc(Br)ccc32)cs1 84800593 XYSRCEYLXCNNDN-NSHDSACASA-N 367.312 4.566 0 40 FJAB C[C@@H](c1ccccc1)N1CC[C@H](NCCCc2nc3ccccc3s2)C1 97013854 URMDPOGBOZJLMH-HKUYNNGSSA-N 365.546 4.654 0 40 FJAB CCc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 102202356 JBWKAGRMOIWYGN-QFBILLFUSA-N 358.894 4.837 0 40 FJAB Cc1noc2c1[C@@H](c1cccnc1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102726770 WBSCCSKSHRJOCG-FOIQADDNSA-N 373.412 4.691 0 40 FJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934296 PWDNBUZSKOZXCR-PTYKPTFMSA-N 362.554 4.815 0 40 FJAB Cc1ccc(SCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218917589 CUGGZJMXTBREJM-UHFFFAOYSA-N 363.910 4.553 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)COc2ccccc2C)cc1C(C)C 223261684 ZYVVYZZENXNJAY-KRWDZBQOSA-N 355.478 4.692 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3Cl)s2)cc1 224122050 WAGUZAHNPNXJQC-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB CCNC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224212931 LUPKWYORNXQUEN-UHFFFAOYSA-N 361.441 4.691 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224906092 IUYTVPOXJIIVNX-CQSZACIVSA-N 350.418 4.546 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1ccc(N2CCCCC2)cc1 224977972 YNWXWBMJXNHPKJ-UHFFFAOYSA-N 364.489 4.573 0 40 FJAB CC(C)Oc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225168318 MRCNJYQUZRUZPB-UHFFFAOYSA-N 370.474 4.683 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 225371095 MTUXZADEISCXSP-ROUUACIJSA-N 351.490 4.827 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1snnc1-c1cccs1 225788473 FVDQYKFEDUMLDD-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB S=C(Nc1ccncc1)NC1(CCc2ccccc2Cl)CCCC1 225874700 IEACAVSGUYMWDY-UHFFFAOYSA-N 359.926 4.967 0 40 FJAB Cc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)c(Cl)c1 226271619 CDMIQYBRIAQAPV-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB CN(C(=O)c1ccc(-c2ccc(N)cc2Br)o1)c1ccccc1 226303954 YTWWYTFUHDNHIC-UHFFFAOYSA-N 371.234 4.568 0 40 FJAB CC(=O)N[C@@H]1C[C@H](c2cccc(-c3cccc(F)c3)c2)O[C@@H]2CCC[C@@H]12 257220667 DLQVPQKKFNYTET-DXBBTUNJSA-N 353.437 4.628 0 40 FJAB c1ccc(C[C@H]2CCCN(Cc3ccccc3OCc3cccnc3)C2)nc1 257235532 GYFMXGMMSZSCBN-HXUWFJFHSA-N 373.500 4.510 0 40 FJAB CC[C@]1(Cc2ccccc2)CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O1 257324645 WPOYMPUCYLFDTB-NNMXDRDESA-N 359.510 4.814 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)S1 260788372 ZKSPYLSXQPXINP-CDHQVMDDSA-N 366.534 4.978 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccccc2)cc1 408699644 VKDOLLZGHQJYJQ-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB C[C@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)C2CCCCC2)S1 1036968 FVNXTKHUXMDYRW-LBPRGKRZSA-N 351.903 4.998 0 40 FJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4247979 BITXMAYQYBLCDX-RXVVDRJESA-N 362.454 4.999 0 40 FJAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 4258252 KHQSEJFZPCKFTI-DTQAZKPQSA-N 354.409 4.565 0 40 FJAB CCN(CC)C(=O)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340779 ZLEBRYUSHMUCFL-UHFFFAOYSA-N 351.402 4.609 0 40 FJAB biogenic O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1Cl 5441216 SZDBRLGCNJVOCE-UHFFFAOYSA-N 363.244 4.763 0 40 FJAB CCOc1cccc2c1Oc1nc(-c3ccc(F)cc3)nc(S)c1C2 6000612 DOYXDGYGQSSVGD-UHFFFAOYSA-N 354.406 4.667 0 40 FJAB COc1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 6378045 BGVXESKEXXJTKN-UHFFFAOYSA-N 370.301 4.552 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cnc(Cl)c(Cl)c1 6510633 SHETYBLUHUFAEQ-UHFFFAOYSA-N 370.667 4.894 0 40 FJAB CCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 6710762 NAXCCNFZKDIQFJ-UHFFFAOYSA-N 369.471 4.554 0 40 FJAB COc1ccc2c(c1)c(/C=C/c1cc[n+](C)cc1)cn2Cc1ccccc1 6719057 GFCHQXNRHRFRCG-UHFFFAOYSA-N 355.461 4.693 0 40 FJAB COc1ccc2c(CC(=O)Nc3ccc(-c4nccs4)cc3)coc2c1 7683973 YAUXYOHDOPJDBS-UHFFFAOYSA-N 364.426 4.746 0 40 FJAB Cc1cc(O)c2c(c1)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C 8549450 VZUZGWPYCWZJQF-AUWLRVODSA-N 366.501 4.505 0 40 FJAB COc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 9423521 NIGPLFQTQYHXNL-OAQYLSRUSA-N 362.404 4.601 0 40 FJAB O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1C(F)(F)F 10995470 ZJAFOGCRCSBXOI-UHFFFAOYSA-N 363.257 4.534 0 40 FJAB Cc1ccccc1NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902598 RXVVANVVHUVMIR-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 12474681 IHJWCYFSWISHBE-CYBMUJFWSA-N 355.438 4.644 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccccc3C)cc(-c3cccs3)nc21 12618321 LKJOINAUQXKAJE-UHFFFAOYSA-N 362.458 4.740 0 40 FJAB CC(C)[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 12774462 KEUYFFPUONMVOS-GOSISDBHSA-N 356.516 4.928 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)Cc2coc3cc(CC)ccc23)c1 12816351 WMNLMBXOYYZXBF-UHFFFAOYSA-N 367.445 4.974 0 40 FJAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(-c2nccs2)cc1 12852733 JWYOPSIDBRUSJT-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1Br 16467579 QHGVSMQSAHRFGE-UHFFFAOYSA-N 358.157 4.649 0 40 FJAB Cc1ccc2c(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)coc2c1C 18047677 UHOXGUGUPFYIII-KRWDZBQOSA-N 373.456 4.655 0 40 FJAB Cc1nccn1Cc1ccccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C 19288241 OYQCOEMXIIIDTG-NRFANRHFSA-N 365.452 4.506 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 19933709 YFQHUKZHIYXQKV-QGZVFWFLSA-N 363.866 4.621 0 40 FJAB CC(C)C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 20451221 JQZVFZALMVRQIU-FQEVSTJZSA-N 372.468 4.704 0 40 FJAB CCCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635873 DVBSCHCIMQBYSD-UHFFFAOYSA-N 362.458 4.666 0 40 FJAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)c(C)c2c1 21659781 CQUPJRJUMNJPBD-SFHVURJKSA-N 366.461 4.518 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)cc1 22056201 MMMYQONSGGURPS-IBGZPJMESA-N 352.409 4.826 0 40 FJAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 22124304 ANMUEDGJGRODIJ-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB CC(C)(C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 32752726 QPCKYBWIRBQYRZ-UHFFFAOYSA-N 350.506 4.612 0 40 FJAB COc1ccc(NC(=O)c2cccc(Cl)c2)cc1OCc1cccnc1 32832155 MZYNVHQRTWCFNQ-UHFFFAOYSA-N 368.820 4.575 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1 38756364 ZEORAEQQDWGUMH-NRFANRHFSA-N 365.448 4.885 0 40 FJAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1 41076965 NFQLQBYYVAGTFF-UHFFFAOYSA-N 363.461 4.527 0 40 FJAB CCc1cc2c(NCCc3coc(-c4ccccc4)n3)ncnc2s1 58159038 OPZUGVGIXVGTRM-UHFFFAOYSA-N 350.447 4.563 0 40 FJAB CCCCc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 59488480 LWHSAAHZAUAVCJ-MRXNPFEDSA-N 370.880 4.674 0 40 FJAB Cc1csc([C@H](Cc2ccsc2)NCc2cc3c(cc2C)OCO3)n1 72341781 UFOGNRGKMGYMNO-INIZCTEOSA-N 372.515 4.624 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1cccc(OC(C)C)c1 219312558 KBQKEMCSZKOJBG-OAQYLSRUSA-N 369.505 4.689 0 40 FJAB CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)s1 224847308 PIYGZUYESKBMFP-AWEZNQCLSA-N 373.503 4.599 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 224885115 PXJCBHLDAYXZFR-CYBMUJFWSA-N 353.340 4.608 0 40 FJAB CCOC(=O)c1cc(NC(=S)NCCC2=CCCCC2)ccc1Cl 225355311 FIAYDZUXWRHSOJ-UHFFFAOYSA-N 366.914 4.694 0 40 FJAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 225456071 VLLASRWGLVIFKZ-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225461196 ZGDFPVQMIANHNK-GOSISDBHSA-N 368.502 4.536 0 40 FJAB CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225674976 JVUPNDNPUOIXAD-SFHVURJKSA-N 370.518 4.983 0 40 FJAB COc1cc(Br)c2[nH]c(-c3ccc(OC)c(Cl)c3)nc2c1 226343454 AXJMQWBYNAAYPZ-UHFFFAOYSA-N 367.630 4.663 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408677365 CHBXRHDICFBUOR-LLVKDONJSA-N 368.658 4.817 0 40 FJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)c1 409000260 YBNPCTAUBXUANV-PUHATCMVSA-N 371.436 4.864 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)c(OC)c1OC 409383990 UDZRGKCBPURQSL-WYMLVPIESA-N 363.413 4.518 0 40 FJAB CC1(C)C[C@@H](N[C@H]2CCCOc3cc(F)ccc32)c2cc(N)ccc2O1 584774692 AZDYBCYBAQOFHU-ZWKOTPCHSA-N 356.441 4.514 0 40 FJAB CC(C)CC(CC(C)C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 1170984440 NOPPCOBUXKFTHD-NRFANRHFSA-N 353.510 4.592 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 670399 ZCJSHEYIFZDROS-CYBMUJFWSA-N 362.539 4.517 0 40 FJAB COc1ccc(-c2csc(N(CC(C)C)C(=O)c3ccco3)n2)cc1 929192 NSLDAXWWKUJTGE-UHFFFAOYSA-N 356.447 4.715 0 40 FJAB CCC(=O)Nc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 2204854 LMJQLXUAUSDMEV-UHFFFAOYSA-N 368.487 4.813 0 40 FJAB CCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cc(C)ccc3nc21 2407978 XLPNIKJPTMJTGU-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c(C)c1 2723062 MADXBMMQTIRHAF-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(F)cc3)cc12 3221103 ITEKEBCCBRNEME-UHFFFAOYSA-N 352.390 4.754 0 40 FJAB O=C(OCC(=O)c1ccccc1)/C(=C/c1ccc(F)cc1)c1cccs1 3240819 PJWGDSIFUPVYTL-QGOAFFKASA-N 366.413 4.854 0 40 FJAB Cc1csc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)n1 3249946 FXXURAGBODOIJN-UHFFFAOYSA-N 372.450 4.552 0 40 FJAB Cc1ccc(CSC2=N[C@H](C(C)C)C(=O)N2c2ccc(C)cc2)cc1 3300136 WFOKETGOQDYKGE-LJQANCHMSA-N 352.503 4.964 0 40 FJAB CCCC[C@H](CC)CNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 4627755 DEHDWICOBVHKMS-INIZCTEOSA-N 365.514 4.829 0 40 FJAB CCOc1ccc(-c2cnc(NCc3ccc(SC)cc3)n2C)cc1 4678889 BXLORIQUJORLBL-UHFFFAOYSA-N 353.491 4.820 0 40 FJAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 4731897 ZJQKTXMEMIELBN-UHFFFAOYSA-N 371.506 4.649 0 40 FJAB C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 5090134 ZCEWPHMCPSGHTD-SNVBAGLBSA-N 353.647 4.542 0 40 FJAB CC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 5109221 ZOPAAKRHBFPKLC-UHFFFAOYSA-N 371.893 4.967 0 40 FJAB CC1(C)C[C@H]([C@H](CCNC(=O)c2ccccc2)c2ccc(F)cc2)CCO1 5348772 BLNFIKNPESXSCN-TZIWHRDSSA-N 369.480 4.935 0 40 FJAB CN(Cc1ccccc1)C(=O)c1cccnc1-c1nc2ccccc2s1 5483087 MSWPSIYIMQSAKQ-UHFFFAOYSA-N 359.454 4.631 0 40 FJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4)cc3n2)cc1 5674403 FIXWPHSHQDPZOE-UHFFFAOYSA-N 356.429 4.544 0 40 FJAB C[C@H]1CCc2nc(NC(=O)N[C@@H](C)CCCc3ccccc3)sc2C1 6551175 LXFZPGNFVYHECA-GJZGRUSLSA-N 357.523 4.801 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1Cl 6949710 DXAYFBPFVHFOTL-UHFFFAOYSA-N 360.885 4.833 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Br)cc1 7684032 OAVJCHQIKNFZQV-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB Fc1ccccc1CSCCNC(=S)Nc1ccc(Cl)cc1 7970088 DXCKFFOPIOJELH-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB COc1cccc(Oc2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)c1 8051794 YTIYYXTUAZAFFW-UHFFFAOYSA-N 350.418 4.695 0 40 FJAB O=C(CCc1nc2ccccc2s1)Nc1cccc(Br)c1 8206274 ALCQEZWKWBZWLZ-UHFFFAOYSA-N 361.264 4.630 0 40 FJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(C)c2)cc1 8476892 MULAJEGZNNTOIP-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(C)C 8495735 QYPIURIGGHKCRW-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)nc3ncccn23)cc1 8845491 HLXTVOLXBORHPB-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 9062686 ZCGSMDFXTMZCJS-UHFFFAOYSA-N 368.908 4.531 0 40 FJAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 9064046 CLTCTLFCQLSPJQ-ZDUSSCGKSA-N 356.491 4.644 0 40 FJAB COc1cccc(C2=NN(C(=O)c3cccc(C)c3)[C@H](c3ccco3)C2)c1 9781722 DGSXKEJLTQJVEA-FQEVSTJZSA-N 360.413 4.588 0 40 FJAB O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCCC2)cc1 10324187 VSEOPIWIDGSZMM-UHFFFAOYSA-N 373.294 4.687 0 40 FJAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)C1 12321843 IMYHTICGAHSCKP-ZLXGRDSLSA-N 360.885 4.848 0 40 FJAB Cc1ccc(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 12530997 ROWCUIYEOGXLGX-GOSISDBHSA-N 368.868 4.635 0 40 FJAB CSc1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1 12906846 YKGVWXURXRSQLE-UHFFFAOYSA-N 358.410 4.710 0 40 FJAB Cc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 13945432 ALLZIZZUNWKXDF-IBGZPJMESA-N 365.502 4.764 0 40 FJAB CCCCc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 14258357 NWRIZEWXFTWACU-UHFFFAOYSA-N 355.331 4.847 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 16967286 STMUIMHRAJBOFC-VQTJNVASSA-N 365.477 4.624 0 40 FJAB COC[C@@H](C)n1c(S[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 23074549 LFSLJGJXPABOEB-KGLIPLIRSA-N 372.465 4.596 0 40 FJAB CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)cc1 24376936 AXBGPHZWFJKUIC-UHFFFAOYSA-N 361.441 4.721 0 40 FJAB O=C(OCc1ccc(-c2ccccc2)cc1)c1cc2ccccc2c(=O)[nH]1 24521455 OVGQAHWSPBIQIE-UHFFFAOYSA-N 355.393 4.552 0 40 FJAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@H]1Cc1ccccc1 25087644 LXRUONNQMGZAGH-INIZCTEOSA-N 365.864 4.577 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 27379907 YDKWURZPBDKSQI-MRXNPFEDSA-N 370.518 4.500 0 40 FJAB Fc1cccc(CSc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 33874784 QXBDFFHDXFSCDH-INIZCTEOSA-N 369.465 4.652 0 40 FJAB CC(=O)c1ccccc1OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 58382436 ICZSVUQUGUYEFA-UHFFFAOYSA-N 374.440 4.698 0 40 FJAB CC(C)c1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 64334771 RJQHRYPVOLQNAV-LBPRGKRZSA-N 372.519 4.992 0 40 FJAB O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc2c(s1)CCC2 65809550 OKYUCMBVZAFEOQ-UHFFFAOYSA-N 360.385 4.639 0 40 FJAB Cc1nc(Cl)cc(N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)n1 75107039 RKXWCLWZEXQGSB-MRXNPFEDSA-N 355.873 4.711 0 40 FJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccccc3Cl)o2)n1 79501327 UZRCKIUDVXUZSW-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB Fc1ccc(-c2noc(-c3cc(F)cc4[nH]c(=S)[nH]c34)n2)c(Cl)c1 115180403 CGZKZBZVFCLONB-UHFFFAOYSA-N 364.764 4.874 0 40 FJAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 135942147 GLTAMRONJSYAQQ-PRRDBKRISA-N 362.256 4.641 0 40 FJAB CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1Cl 206852314 NJIXGVCLGLTNFK-ZPHJMFTNSA-N 361.894 4.579 0 40 FJAB COc1ccc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1F 206880975 CBSPDGRGOJSZID-MRXNPFEDSA-N 361.844 4.898 0 40 FJAB CC(C)Oc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C 223720125 YPZJPXMEEUZAEH-UHFFFAOYSA-N 355.478 4.580 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)COc1cccc2ccccc12 223781327 UCFVUUSKNBCLLK-UHFFFAOYSA-N 363.457 4.537 0 40 FJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C)cc1 224119310 MGVAKAKZNNYDQW-UHFFFAOYSA-N 361.441 4.513 0 40 FJAB C[C@H](CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 224481048 KUPORRCKYQUKCD-QGZVFWFLSA-N 367.470 4.561 0 40 FJAB CC(C)c1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224928604 XGJHBUKLOOMMAS-UHFFFAOYSA-N 358.290 4.942 0 40 FJAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 225387541 KTVVXRVHCOTZFD-GFCCVEGCSA-N 372.317 4.736 0 40 FJAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 225456123 BXXATOCHFMBKQO-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB Fc1ccc(NC(=S)NCCCSCc2ccccc2)c(F)c1 225597711 TZZYVIKCCPFALX-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCC1 225654390 KSQNUEYWXWIVRB-UHFFFAOYSA-N 353.462 4.944 0 40 FJAB CCOC(=O)c1cc(NC(=S)NC2(C3CC3)CCCC2)ccc1Cl 225866380 WBHHJBGMDPTRMR-UHFFFAOYSA-N 366.914 4.526 0 40 FJAB CCCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 226859320 FYTNHRWIRKBOFY-UHFFFAOYSA-N 360.262 4.937 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccccc1 408563166 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4.639 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Cl)c2)CSC3)cc1 4175938 UYKWQTIPHYBRLP-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB CCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 5047415 IODOODBHKUEKPE-UHFFFAOYSA-N 364.836 4.900 0 40 FJAB Clc1cccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)c1 5189934 VPTKCBYAAKRISR-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(Br)c1 5380136 QTDYLJVSVGNLPQ-UHFFFAOYSA-N 362.267 4.764 0 40 FJAB CC(C)c1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6346536 CHNNEVZUTYGTHH-SFHVURJKSA-N 357.450 4.756 0 40 FJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)s1 6579229 BXCRFVAMCSWRLG-UHFFFAOYSA-N 371.443 4.989 0 40 FJAB CC[C@@]12CCC3=C(CCc4cc(OC(C)=O)ccc43)C1=CC[C@@H]2OC(C)=O 6934169 RIJXZANIRYKMAD-XZOQPEGZSA-N 366.457 4.764 0 40 FJAB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC(=O)O 8084312 CWACJUQYSONYFJ-SRZZPIQSSA-N 361.825 4.515 0 40 FJAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1 8862547 URINTBWRYSKEDR-INIZCTEOSA-N 369.317 4.622 0 40 FJAB COc1ccc(-c2cnn3ccc(-c4ccc(Cl)cc4)nc23)cc1OC 8873952 CMJUKYXFUHPSPN-UHFFFAOYSA-N 365.820 4.734 0 40 FJAB FC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1 9002132 BKEZIPWCGCATRJ-UHFFFAOYSA-N 362.336 4.874 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1C 10442238 HGSCCIGGQFEKND-OAHLLOKOSA-N 357.475 4.599 0 40 FJAB COc1ccc(CN2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1OC 12222635 SQZKYCVQJIPWMI-HXUWFJFHSA-N 362.473 4.632 0 40 FJAB Cc1cccc(-c2nnc3sc(-c4cccc(Br)c4)nn23)c1 12650591 DHZRWNMJAMDUJH-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB Cc1cc(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(Cl)c1 14235278 XWQXMRWSDXAEDK-UHFFFAOYSA-N 355.825 4.931 0 40 FJAB CCCc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 15025479 LUXNKPYSPDZBCY-UHFFFAOYSA-N 351.425 4.833 0 40 FJAB Cc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccc4C)c3ncn2n1 15842215 BYMVQNRCLJQUQB-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(Cl)cc1Cl 22289145 RQHLNAMEBXBBBK-UHFFFAOYSA-N 370.305 4.688 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccc(Br)o1 22402532 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4.747 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl 108068443 RRLOZMIQDIHEAH-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(Br)cc1 199816898 VJYCYYLLATUFMI-UHFFFAOYSA-N 374.156 4.707 0 40 FJAB O=c1c2ccccc2cnn1-c1nc2c(-c3ccccc3)cccc2s1 216890391 JGOPAYOCMJYCSW-UHFFFAOYSA-N 355.422 4.662 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NCCCc1ccc(F)cc1 224686734 UGZQENTUOHKAAT-UHFFFAOYSA-N 369.864 4.600 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924296 RWFXIFRLZKLCMM-IBGZPJMESA-N 358.869 4.736 0 40 FJAB COc1ccc(C)cc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225117940 NXXGHILVPZNNQE-JOCHJYFZSA-N 362.425 4.745 0 40 FJAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCOCC2)cc1 225569626 MUXFXWQPVJGZJK-UHFFFAOYSA-N 367.489 4.778 0 40 FJAB Cc1ccc(SCCC(=O)NCCSCc2cccc(C)c2)cc1 409167407 JOZNYNVLNSLAAB-UHFFFAOYSA-N 359.560 4.835 0 40 FJAB CCCCc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 409410854 RFJPBZYYPQPTCJ-RVDMUPIBSA-N 369.461 4.707 0 40 FJAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1C 575410893 KSBLEUSTTHYZQY-UHFFFAOYSA-N 372.424 4.898 0 40 FJAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2csc3c2CCCC3)cc1 1634527100 DNGKOEDIEAUSRV-UWJYYQICSA-N 369.530 4.833 0 40 FJAB CC(=O)Nc1cccc(Oc2nc(C)nc3sc4c(c23)CCCC4)c1 934425 SXMNAHPXHHNIDW-UHFFFAOYSA-N 353.447 4.629 0 40 FJAB O=C(Nc1cccnc1)c1ccc(COc2cc(Cl)ccc2Cl)o1 1083431 NYWOKWYZLCXSSJ-UHFFFAOYSA-N 363.200 4.813 0 40 FJAB Cc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)c1 2917500 PLTNUNDHMOLWLL-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(OCc2ccccc2)cc1 3221196 UTMJHXIINHIKAV-SFHVURJKSA-N 372.468 4.655 0 40 FJAB C[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3243195 JTPSIYOXNYOECV-JTQLQIEISA-N 371.742 4.543 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(Cl)sc1Cl 4063474 KWIGDSHPGJTAFI-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 4854424 GPFHRIFXFOMVOA-LJQANCHMSA-N 371.362 4.543 0 40 FJAB CCn1c(C)cc(C(=O)CSc2nnc(C)n2C2CCCCC2)c1C 5865082 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Cc1noc(-c2ccc(C)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)n1 40151098 SGHCXGOMXDRRSB-UHFFFAOYSA-N 366.808 4.740 0 40 FJAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1cccc(F)c1 40283197 HZAAUQUFWMMOFE-QGZVFWFLSA-N 365.408 4.922 0 40 FJAB COc1cc(Br)c2oc(-c3ccc(Cl)c(N)c3)nc2c1 45920194 GLAACABXPJDUJA-UHFFFAOYSA-N 353.603 4.502 0 40 FJAB Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1cccc(C(F)(F)F)c1 57816696 RGLGRTCWZIZFNP-GOSISDBHSA-N 364.411 4.730 0 40 FJAB COc1ccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)cc1OC 64936521 VZNNUENGOFCYOG-UHFFFAOYSA-N 372.534 4.746 0 40 FJAB O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)/C(=C/c2cccnc2)S1 72401619 MHLPXJCRYSXQNC-JYRVWZFOSA-N 365.336 4.699 0 40 FJAB COc1ccc(C)cc1NC(=O)CNc1cccc(Cl)c1NC(C)C 75093225 FPBPIAXRTXGZFC-UHFFFAOYSA-N 361.873 4.528 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc2[nH]ccc12 95477658 BJZHZWWVDSPVTH-UHFFFAOYSA-N 351.406 4.991 0 40 FJAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 96252984 GFZQNLFTCSUBSR-QFIPXVFZSA-N 374.440 4.865 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 219513627 IUHLTYGUCCUNHD-GOSISDBHSA-N 373.452 4.940 0 40 FJAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 224656429 PHCJOZYAWZYNSK-GFCCVEGCSA-N 372.317 4.736 0 40 FJAB COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OC 225044151 RPLHBEVPERPNTK-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB O=C(O)[C@H](Cc1cccc(Br)c1)Oc1cccc2ccccc12 225064178 POACWVQHHVPUIO-SFHVURJKSA-N 371.230 4.677 0 40 FJAB COC(=O)c1cc2cc(NC(=S)N[C@@H](C)c3ccccc3)ccc2s1 225212698 RRAMNFGYRDFBTH-LBPRGKRZSA-N 370.499 4.736 0 40 FJAB CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225575885 XFGQFSQNTUSMHJ-KRWDZBQOSA-N 356.491 4.674 0 40 FJAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 225712804 LYFWTHLKYAJGBV-GOSISDBHSA-N 353.462 4.734 0 40 FJAB Cc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1Cl 225779781 MTEIDLZINHCGDM-UHFFFAOYSA-N 355.290 4.667 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225859402 JFNORYFHMSAKBF-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1C 225881982 UETPXSYRYWYLNY-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1 225931576 IMBHGFPLTOFFBR-UHFFFAOYSA-N 357.453 4.761 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc1 408770789 ANBIAUKPCWGWSK-JCAJYURWSA-N 363.486 4.638 0 40 FJAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1C 409383163 ZTUUGKUTLCHKHB-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB O=C(O)c1cc2cc(CN3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)ccc2o1 567116568 CBLUOOYYANGOSC-WOJBJXKFSA-N 359.425 4.951 0 40 FJAB CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N1CCC(n2cncc2C)CC1 585082074 YABPTOXWLDAFIX-WWAKMMQFSA-N 371.569 4.988 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(F)cc2)CN1c1cccc(F)c1 1615124539 XWUAXOJWBCRFOI-JOCHJYFZSA-N 370.443 4.629 0 40 FJAB CCOc1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cc1F 1622930994 PLQNWSZSYNHBPL-NVXWUHKLSA-N 356.441 4.709 0 40 FJAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)cc1 756781 UIZYQDJDVVGDAL-UHFFFAOYSA-N 370.456 4.696 0 40 FJAB CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C)cc2c1 887557 LMWFPCTXOCQSRI-UHFFFAOYSA-N 366.486 4.981 0 40 FJAB CCCCc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 2723001 QLKHGUXXHKYDNW-UHFFFAOYSA-N 365.502 4.946 0 40 FJAB Cc1ccccc1-n1c(C)nnc1SCCCC(=O)c1ccc(F)cc1 3424660 WFCSAMBXMJVSGG-UHFFFAOYSA-N 369.465 4.778 0 40 FJAB O=C(Cc1ccccc1)NCc1ccc(-c2nc3ccccc3s2)cc1 4741148 PONXUGJRISURFH-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4815065 VQSKEVGFVMICGS-UXHICEINSA-N 374.488 4.700 0 40 FJAB Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 5547623 VFUQAUVFEIUISO-NRFANRHFSA-N 355.441 4.585 0 40 FJAB CCN(CC)C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6205137 RWVVNPIOIIYJNQ-UHFFFAOYSA-N 361.401 4.632 0 40 FJAB CCSc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 6232366 ZONKQYFIITXXOT-UHFFFAOYSA-N 373.956 4.815 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OCC)c2)c1 6263866 LLVCJHWFQZRXRJ-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 6271963 IHVOIAGZFYIRRA-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB COc1ccc2oc(C(=O)Nc3nc4c(F)cc(F)cc4s3)c(C)c2c1 6582099 ZZIJANQAPBCEGB-UHFFFAOYSA-N 374.368 4.890 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC1CCCCCCC1 6619485 ATPFYFQZRSPMIH-UHFFFAOYSA-N 351.903 4.538 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 6651628 IUVKTIIOYXQISU-INIZCTEOSA-N 371.440 4.944 0 40 FJAB Cc1nc2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc2s1 6789397 SXBMRNMZXCNYPH-UHFFFAOYSA-N 374.849 4.672 0 40 FJAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccccc1Cl 6800850 RHHCEVJQTWIBOP-UHFFFAOYSA-N 373.865 4.609 0 40 FJAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cn1 8187694 BSZMDUYTRQTDID-UHFFFAOYSA-N 361.681 4.914 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1COc2ccccc2C1 8843821 XIJWEMQCRALZIW-LLVKDONJSA-N 355.743 4.549 0 40 FJAB COc1cc(Cl)cc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 9235542 MXPLKHDREGSTKL-UHFFFAOYSA-N 354.793 4.615 0 40 FJAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1C 9304408 UMMZDOIUIDOVLV-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB Cc1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1Cl 9436265 AGZOPCQPBVWWTN-UHFFFAOYSA-N 374.799 4.598 0 40 FJAB O=C(CNc1ccccc1Cl)N[C@H](c1ccccc1)c1cccs1 11116965 QQSSENCUUHQOEM-LJQANCHMSA-N 356.878 4.719 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OC(F)F)cc3)cc2)cs1 12613646 OELKXVJKXLVGSR-UHFFFAOYSA-N 374.412 4.650 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12761447 VRQJKHANHAGXQG-CYBMUJFWSA-N 352.384 4.826 0 40 FJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1 14849195 YNBYLIOTGJLOGB-GFCCVEGCSA-N 363.244 4.523 0 40 FJAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(Br)cc1)CC3 15842010 LBZIDVLQYCJDBC-UHFFFAOYSA-N 367.246 4.509 0 40 FJAB COc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1Cl 16689870 FSBDXCLDJHZSOC-UHFFFAOYSA-N 357.841 4.888 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC1(c2ccccc2)CC1 22427159 RZNWFQDJYZXGQO-UHFFFAOYSA-N 362.395 4.579 0 40 FJAB Cc1ccc(N(Cc2ccco2)C(=O)c2cncc(Br)c2)cc1 24989084 GJDLZFKAUNPOAY-UHFFFAOYSA-N 371.234 4.593 0 40 FJAB CCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1 28251615 QPRNRKJTVLDLML-UHFFFAOYSA-N 366.486 4.571 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 28287498 LPDKBSNFXIQNTM-UHFFFAOYSA-N 368.408 4.930 0 40 FJAB O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccc(OC(F)F)cc1 32764588 HAZMGUNGWNOTIS-GOSISDBHSA-N 355.340 4.629 0 40 FJAB C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(OC)c(O)c(OC)c1)O2 33832504 LYZVPGMCGPXCQO-LIVVEMJYSA-N 356.418 4.688 0 40 FJAB biogenic,in-vitro COc1ccc(Nc2ccc(NC(=O)c3ccnc(Cl)c3)cc2)cc1 40049170 SGZKHKYGKTYEFP-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB Cc1nnc(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 48356283 YIDPGEBDOPMDRS-LBPRGKRZSA-N 355.488 4.952 0 40 FJAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(-c2nccs2)cc1 58081466 FKENXPGDANJBDV-WMLDXEAASA-N 359.495 4.527 0 40 FJAB CC1CCC(N(C)C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 58248835 NFGQDAQDTCVSAA-UHFFFAOYSA-N 355.482 4.685 0 40 FJAB Fc1ccc(OCc2nc3sccn3c2Br)c(Cl)c1 58355325 JLBKBVYFNISFOB-UHFFFAOYSA-N 361.623 4.530 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1F 58618431 GDVIMODPOSSACT-HUUCEWRRSA-N 351.343 4.607 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1NC1CCC1 72213894 BRVLXEGRVYJSQY-IBGZPJMESA-N 351.450 4.520 0 40 FJAB Fc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348949 HWQIYSNDAWXHKB-LJQANCHMSA-N 361.464 4.586 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357589 KJARDVSQQMGINM-JOCHJYFZSA-N 360.432 4.789 0 40 FJAB COc1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1OC 95467006 PVGNJDPCIVXBFR-UHFFFAOYSA-N 358.438 4.664 0 40 FJAB CC(C)n1cc(CCCC(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 96117803 LELHHGKWMDLZQY-UHFFFAOYSA-N 374.488 4.738 0 40 FJAB Fc1ccc(CNc2cc(Br)cc(Br)c2)cc1 96170385 VBVKQLQBFBSBIU-UHFFFAOYSA-N 359.036 4.963 0 40 FJAB Cc1ccc(C2(CNC(=O)Nc3ccc(C(C)C)cc3)CCOCC2)cc1 96182508 WCNHRHZLPBQXDR-UHFFFAOYSA-N 366.505 4.988 0 40 FJAB Cc1nc2ccccc2n1S(=O)(=O)c1ccc(C2CCCCC2)cc1 96305720 RBOAPFZPWOWFJX-UHFFFAOYSA-N 354.475 4.629 0 40 FJAB O=C1[C@@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C(=O)N1c1cccc2ccccc12 100394326 OGHYAEQLPCICKY-JYWLFISISA-N 367.448 4.769 0 40 FJAB Cc1ccc(-c2cs/c(=N/c3ccccc3)n2C[C@@H]2CCCO2)cc1 102680089 QOUYJZQTDMSETI-XJUMHSELSA-N 350.487 4.936 0 40 FJAB COc1ccc(CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 107832547 UQHUYYIUUSXSLO-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H](C)c3cccs3)[nH]c2c1 140097064 PHWTUOOJISAUEW-BBRMVZONSA-N 354.479 4.541 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccccc3Cl)c2)n1 170564434 DXPBLSZGBQMOHL-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB Cc1cccc(CSCC(=O)NCc2ccc(Cl)cc2Cl)c1 222735858 YUWLXAJJVWXFNJ-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c(C)c1 222966749 SVMRQFXTJAOYLN-LJQANCHMSA-N 369.461 4.585 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222977547 CXDZCIWTKIBDOK-OXJNMPFZSA-N 367.489 4.609 0 40 FJAB S=C(NCc1ccccc1Cl)Nc1ccc(N2CCCCCC2)nc1 223935758 HRZLARVFBMAUEH-UHFFFAOYSA-N 374.941 4.602 0 40 FJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COCc1ccccc1 224750635 CGCLVOBDEBMMSL-UHFFFAOYSA-N 367.489 4.674 0 40 FJAB Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1C 224848531 OAPIINXJSAQPAM-UHFFFAOYSA-N 351.874 4.759 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)cc1C 225714361 GUKIKEAOTOOUQM-KRWDZBQOSA-N 358.507 4.758 0 40 FJAB CC(C)Oc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 225812620 MWXCIDCKTBYFCN-UHFFFAOYSA-N 353.340 4.510 0 40 FJAB O=C(c1ccc(-c2ccc(F)c(Cl)c2)o1)n1cc(CO)c2ccccc21 226764765 FRLQCCONNAOZIY-UHFFFAOYSA-N 369.779 4.875 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCC2)cc1 408674566 ADLVDFOMUOVADG-UHFFFAOYSA-N 374.484 4.936 0 40 FJAB CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 408713047 IEDBOFMXGNHLPS-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB Cc1ccc(C(=O)CCCCC(=O)Nc2ccc(-c3cncnc3)cc2)cc1 567653409 XASPFAFJUHPACL-UHFFFAOYSA-N 373.456 4.834 0 40 FJAB CC(C)Sc1ccc(CC(=O)NCc2ccc(-c3ccco3)o2)cc1 575607867 DRCZOXLLOFSKQW-UHFFFAOYSA-N 355.459 4.899 0 40 FJAB O=C(NCc1cc(-c2ccco2)cs1)c1cc(Br)cs1 1775968902 OWCLPNTXMMKSRG-UHFFFAOYSA-N 368.277 4.762 0 40 FJAB Cn1ccc2cc(C[C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)CC3)cnc21 2037838530 MHNIWVBSRMWXIB-GOSISDBHSA-N 372.516 4.899 0 40 FJAB Cc1ccc2cc(C)c(SCC(=O)N3CCc4ccccc4C3)nc2c1 875712 COCGNWPOEXBPPK-UHFFFAOYSA-N 362.498 4.529 0 40 FJAB CC(=O)c1sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)nc1C 957071 ZFAUBXYDURCBRV-VOTSOKGWSA-N 355.246 4.613 0 40 FJAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CO1 985045 WKOSVJGIGWXNAM-IBGZPJMESA-N 371.531 4.807 0 40 FJAB FC(F)(F)c1cnc(-n2cc(C3OCCO3)c3ccccc32)c(Cl)c1 1385815 RSIDHDNSAKYLEQ-UHFFFAOYSA-N 368.742 4.743 0 40 FJAB CC1(C)O[C@@H]2CC[C@@H]3[C@H](CC[C@H]2S1)C3(Br)Br 4350123 RZTMXISELRAISC-UTINFBMNSA-N 370.150 4.529 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(OC)c1 4849211 CUQOXZKJDVDDLI-UHFFFAOYSA-N 352.459 4.537 0 40 FJAB COc1ccc(OC)c(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1 6820953 UIKMCRCTCCEGJJ-MDZDMXLPSA-N 360.413 4.522 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1 6831303 LPDGBFXDRXKQAX-UHFFFAOYSA-N 351.269 4.575 0 40 FJAB CCc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6941140 PASXAVBZRQTKKT-UHFFFAOYSA-N 357.251 4.605 0 40 FJAB COc1cc(CN(C)C(=O)c2ccccc2)ccc1OCc1ccccc1 6994997 YNUFSXAUNDVUQC-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928899 CSDYVPHQFYHRGY-CABCVRRESA-N 371.864 4.812 0 40 FJAB CCC(CC)c1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 7995803 CCIGOMAWRKDOBI-UHFFFAOYSA-N 372.519 4.746 0 40 FJAB CCCCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 9553309 FUPYUNCYPDQPRP-RGEXLXHISA-N 353.393 4.739 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1cccs1 12115113 SRBFAVRAPNXTQM-UHFFFAOYSA-N 353.447 4.646 0 40 FJAB CCOc1ccccc1-c1noc(CNc2ccccc2Br)n1 12546115 SSOYMVXNBIBPDH-UHFFFAOYSA-N 374.238 4.510 0 40 FJAB CCOc1ccc(OCC)c(NCC(=O)Nc2ccc3ccccc3c2)c1 12556379 KBIJKJMECHCBIZ-UHFFFAOYSA-N 364.445 4.688 0 40 FJAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 12676500 PEGSMEXVVIIRRN-FZKQIMNGSA-N 373.294 4.517 0 40 FJAB CC(=O)N1CC=C(c2ccc(OCc3nc4ccccc4s3)cc2)CC1 12686876 GENMCHSWSWPMJR-UHFFFAOYSA-N 364.470 4.511 0 40 FJAB CCC[C@H](NC(=O)c1ccc(F)cc1Br)c1ccccc1 12796720 ZGCDHBRSBTYZQH-INIZCTEOSA-N 350.231 4.859 0 40 FJAB CCN(CC)c1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)cc1 12825146 ZGSWCTOGVLFSMC-UHFFFAOYSA-N 364.445 4.853 0 40 FJAB Cc1cc2nc([C@H]3CCCN(C(=S)Nc4ccccc4)C3)[nH]c2cc1C 13471842 DASSENWWRORQQU-INIZCTEOSA-N 364.518 4.756 0 40 FJAB CCOC(=O)c1cc(Nc2ccc(OC)cc2)c2cc(Cl)ccc2n1 15829177 JPDLQBDTGZTZLV-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CCOc1ccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)cc1 18057830 VSTUIVZSQLCSLN-UIJGJVKASA-N 368.304 4.880 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(C)cc1)C3 19882338 MRVRXNKOMZGMDD-UHFFFAOYSA-N 369.848 4.669 0 40 FJAB CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)OCC 27638529 STQVEMJKKQYNQQ-GYSGONNHSA-N 364.526 4.759 0 40 FJAB O=C(Nc1cnc2ccccc2c1)c1ccccc1C(=O)c1ccc(F)cc1 32753527 MDPVSHPHCKWKOZ-UHFFFAOYSA-N 370.383 4.857 0 40 FJAB C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1OC(F)F 32777539 UFLMOEIBHFSAMA-LBPRGKRZSA-N 368.811 4.573 0 40 FJAB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 35040501 HTFGPEAGELQCRA-MHWRWJLKSA-N 373.886 4.948 0 40 FJAB CC(C)OCCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 36614078 RTVDZWJDSZGRIV-UHFFFAOYSA-N 355.816 4.962 0 40 FJAB O=C(Nc1cccc2c1CCCC2)N(Cc1cccs1)C[C@@H]1CCCO1 40098140 HFQVYQKNJXQZTK-KRWDZBQOSA-N 370.518 4.840 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)cc1 57945620 LCJDLORHHBJWEB-KRWDZBQOSA-N 372.468 4.595 0 40 FJAB Cc1ccc(C(=O)C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 58328516 PHFNDYXLODNKRX-UHFFFAOYSA-N 374.484 4.530 0 40 FJAB O=C(c1ccccc1C(F)(F)F)N(Cc1ccccn1)Cc1ccco1 62018057 UQNLUNUBGCLHFN-UHFFFAOYSA-N 360.335 4.536 0 40 FJAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)[C@@H]1C[C@H]1c1cccc(F)c1 65813476 VTFGHFCZYIHBNW-LSDHHAIUSA-N 373.840 4.740 0 40 FJAB CC(C)OCCCn1c(SCc2ccccc2)nc2ccccc2c1=O 67259103 LULFHAIMSDLNKM-UHFFFAOYSA-N 368.502 4.504 0 40 FJAB COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)cc1 67341674 BKEMPVHVEZNOOM-UHFFFAOYSA-N 366.421 4.514 0 40 FJAB COc1ccccc1-c1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 72348841 JEIQMVQNDZMLRO-IBGZPJMESA-N 359.473 4.532 0 40 FJAB CCSc1ccccc1NC(=O)COc1ccc(Br)cc1 82087357 RTXBFVBPMGGWEY-UHFFFAOYSA-N 366.280 4.579 0 40 FJAB CCc1cccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 83825706 JZVCCBCXJOFARS-AVRDEDQJSA-N 365.521 4.623 0 40 FJAB Cc1nc(COC(=O)CSc2cccc3cccc(Cl)c23)oc1C 84061482 LJUVNHAVYZVDRT-UHFFFAOYSA-N 361.850 4.934 0 40 FJAB COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1F 90394392 HRWBSVIAKQNTKB-UHFFFAOYSA-N 360.385 4.658 0 40 FJAB CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(-c3cscn3)cc2)CCO1 95993998 OWPZDFMGOAQFGA-IEBWSBKVSA-N 358.507 4.524 0 40 FJAB CSc1ccc([C@H](O)CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 96103318 VYVCOEDOJLTTFC-OAHLLOKOSA-N 371.289 4.570 0 40 FJAB CCOc1ccc(Br)c(C[C@H]2C(=O)N(CC)c3ccccc32)c1 101014570 FOQBODJYZLBSMW-MRXNPFEDSA-N 374.278 4.541 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccco2)C[C@H](c2cccc(Cl)c2)C1 102571042 GBTLVGGSIVPMPM-KPZWWZAWSA-N 366.808 4.590 0 40 FJAB CSCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c1 109232628 GKAIWZVSNYMGFN-UHFFFAOYSA-N 363.486 4.865 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219295239 QKZCRHRNSMGVSI-QFBILLFUSA-N 367.489 4.743 0 40 FJAB COC(=O)c1cn(C(=O)CCSc2ccc(Cl)cc2)c2ccccc12 222571362 JOZVOTVIWPFBRF-UHFFFAOYSA-N 373.861 4.904 0 40 FJAB CCOC(=O)c1cc(NC(=O)CCc2ccc(C)c(C)c2)ccc1Cl 222797418 ROBHNYLHJVVVLC-UHFFFAOYSA-N 359.853 4.705 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1 222823198 LXIKWBYDUZYERO-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)on1 224065785 XZLVFAXMZNACRX-UHFFFAOYSA-N 365.191 4.718 0 40 FJAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1 225807840 JVYNBOITQWHVHG-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 226325337 ROKGQYHUKUTHQH-UHFFFAOYSA-N 355.821 4.570 0 40 FJAB Cc1ccc(NC(=S)NCCCc2ccccc2)c(Br)c1 243669909 PDIQYQHRPXZOGR-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C4CC4)c3C)N21 260756125 DOGKQYFCXVLMDF-XPGWFJOJSA-N 366.534 4.814 0 40 FJAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(C)c(C)c2)nn1 408529733 OEKXAMQZRRLRAN-UHFFFAOYSA-N 368.820 4.642 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408622638 PXNRPXYRUPDOSO-VAWYXSNFSA-N 372.380 4.930 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1Cc3ccccc3[C@H]21 408995117 JDPLLLGJVIUSTD-HMXCVIKNSA-N 359.400 4.995 0 40 FJAB Fc1ccccc1CSc1nnc(COc2ccccc2Cl)o1 409019160 VXHKTGYEHIQEGE-UHFFFAOYSA-N 350.802 4.733 0 40 FJAB CCc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 1775965184 KKPDPACXPRFVJX-UHFFFAOYSA-N 369.486 4.542 0 40 FJAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1C 1099209 ZYEXRJWKIIDYTJ-UHFFFAOYSA-N 371.546 4.564 0 40 FJAB CC[C@@]1(C)C[C@](CCN(Cc2ccco2)C(C)=O)(c2ccccc2)CCO1 1130541 UQORBKYGADPLOB-XZOQPEGZSA-N 369.505 4.935 0 40 FJAB biogenic CCCn1c(SCc2ccc(Cl)cc2)nc(C(F)(F)F)cc1=O 1403062 YXARAPHDPAQNNU-UHFFFAOYSA-N 362.804 4.618 0 40 FJAB C[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@@H](O)c1ccccc1 1844848 JQSHEDRVRBSFCZ-MGPUTAFESA-N 355.528 4.953 0 40 FJAB in-man COc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1OC 4355642 XUHQFTVASKNHDW-UHFFFAOYSA-N 356.422 4.592 0 40 FJAB COC(=O)c1ccccc1C(c1ccc(OC)cc1)c1ccc(OC)cc1 4747929 MCYZDOJWNUBFBW-UHFFFAOYSA-N 362.425 4.671 0 40 FJAB CSc1nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2s1 6083125 KXACYKKHGNCCLC-UHFFFAOYSA-N 353.472 4.681 0 40 FJAB Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1C1CCCCC1 6839407 RTKKDLACKQOETC-UHFFFAOYSA-N 372.538 4.625 0 40 FJAB CCOc1ccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 7844518 POTVEFPMJSYPBC-UHFFFAOYSA-N 353.447 4.846 0 40 FJAB CCc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546541 XROXLOBPOWERKA-MRXNPFEDSA-N 351.837 4.767 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccccc3n2)c1C 12538278 MNQMRXMAACIYIG-UHFFFAOYSA-N 352.459 4.666 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cn1 12622120 CGSSOEDNPMEWLY-UHFFFAOYSA-N 351.431 4.691 0 40 FJAB Cc1nc2cc(C(=O)N(C)Cc3cccc(F)c3)ccc2n1-c1ccccc1 12627479 TTZBLYNUAJCDMH-UHFFFAOYSA-N 373.431 4.745 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)cc1 12995731 XCXFYXXRIVPAIC-OIQJVACTSA-N 352.478 4.729 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 14112155 WEQNHXAGCISQEE-UHFFFAOYSA-N 360.461 4.622 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(Cl)c2)o1 14258496 YEDZHNSEMIIOTP-UHFFFAOYSA-N 355.777 4.624 0 40 FJAB O=C(O)c1sc2c(c1-c1ccccc1)N=C(O)C[C@H]2c1cccc(O)c1 15082267 ALGTZIVRKUIJIA-AWEZNQCLSA-N 365.410 4.943 0 40 FJAB COc1ccc2cc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)ccc2c1 17198212 CNYVPRIGBOOHDC-FQEVSTJZSA-N 371.408 4.905 0 40 FJAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(-n2cccc2)cc1 17939149 RHZAWMRJOUQCGA-UHFFFAOYSA-N 362.360 4.628 0 40 FJAB Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 27749350 LRKCBFPBUHVCBQ-OAQYLSRUSA-N 370.924 4.996 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623256 CRICXPVQGLHAHW-UHFFFAOYSA-N 373.387 4.724 0 40 FJAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 36620857 LIMSJMDVAWUUJP-HXUWFJFHSA-N 357.519 4.818 0 40 FJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(Cl)ccc1F 40106870 QZFMITFBOONHHR-UHFFFAOYSA-N 356.784 4.596 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1cccc(Cl)c1 40106909 XFBMTXFZJWHSCZ-UXBLZVDNSA-N 354.837 4.649 0 40 FJAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3O)c12 58378140 YVBAEBNQTQRPOA-UHFFFAOYSA-N 365.433 4.647 0 40 FJAB Cc1nc(-c2ccccc2)sc1CNC(=O)NCc1ccc(Cl)cc1 77100986 BZCCASSTBPTEAB-UHFFFAOYSA-N 371.893 4.771 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)C1(C)C 107347970 VSPDUSWQQZCQAU-ATZDWAIDSA-N 351.494 4.773 0 40 FJAB Cc1cc(-c2nc3ccccc3s2)ccc1I 216734170 YQEMSSVYSWJYDC-UHFFFAOYSA-N 351.212 4.876 0 40 FJAB CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(C)c1 223032737 PHPCJPVVZXQKRM-LPHOPBHVSA-N 357.519 4.893 0 40 FJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)c(Cl)c4)cn1c23 223095112 FFLCHPZLBPWUFS-JTQLQIEISA-N 373.239 4.678 0 40 FJAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COCC(C)C)c1 224447433 YLIDBJMDISDFAK-UHFFFAOYSA-N 355.478 4.991 0 40 FJAB CCOc1cccc(NC(=S)NCCSCc2ccccc2C)c1 225361877 CTDUPTWCOGYNIP-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CC[C@@H]1N=C(c2cccc(F)c2)c2cccn2-c2cc(OC)c(OC)cc21 225378188 SBMBLXDBDYNLAB-KRWDZBQOSA-N 364.420 4.936 0 40 FJAB CCc1ccc(CC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 225402963 RXGZHSBGDIRHAS-FQEVSTJZSA-N 351.490 4.990 0 40 FJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225740976 CIMKGMACPVSCQX-KUHUBIRLSA-N 371.905 4.678 0 40 FJAB COc1ccc(C2(NC(=S)Nc3ccccc3F)CCCC2)cc1OC 225850789 HEIZZKRMVMZIIF-UHFFFAOYSA-N 374.481 4.599 0 40 FJAB COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccccc1 408573726 KDFNQVNRQJAFNT-UHFFFAOYSA-N 361.894 4.699 0 40 FJAB O=C(CSc1ccc(F)cc1)NCCc1ccc(-c2ccco2)s1 2086896800 HURAJRRDPROYRC-UHFFFAOYSA-N 361.463 4.598 0 40 FJAB FC(F)(F)Oc1ccc(OCOc2ccc(OC(F)(F)F)cc2)cc1 2362803739 DYVZMMYYYFKKDU-UHFFFAOYSA-N 368.229 4.899 0 40 FJAB Cc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1 689181 XJYXRPLSJBGWFY-UHFFFAOYSA-N 353.266 4.681 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccco1)C[C@@H]1CCCO1 741394 HXGFVTVYXICGRK-AWEZNQCLSA-N 368.355 4.512 0 40 FJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccccc2NC(=O)C(C)(C)C)C1 784711 DSGVJZPKVYXGQJ-NYHFZMIOSA-N 356.510 4.712 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 970951 GSLQETNHOLPOMV-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CCN(CC)c1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 1097940 PORJJQLDKWPWBK-UHFFFAOYSA-N 361.283 4.856 0 40 FJAB Cc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 1326438 AJJHOPKACOARSH-UHFFFAOYSA-N 368.868 4.936 0 40 FJAB CCCCc1nc2sc3c(NCCCOC)ncnc3c2c2c1CCC2 2445596 RPJBOURFKQRSLN-UHFFFAOYSA-N 370.522 4.519 0 40 FJAB Cc1nnc(S[C@H](C)C(=O)c2cccc(Cl)c2)n1Cc1ccccc1 2664955 LTRZRBHWWNJUJL-CYBMUJFWSA-N 371.893 4.652 0 40 FJAB CCCCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 2741867 XJJQTPUCMQCJNL-MRXNPFEDSA-N 370.503 4.995 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2CCO)C1 4104891 GDPWXMPUUBHXOS-QONUYQIRSA-N 362.554 4.959 0 40 FJAB biogenic,in-vitro CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C)n2c(nc3ccccc32)N1 4731471 MCGZYJCSWFAAQW-FQEVSTJZSA-N 361.445 4.585 0 40 FJAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCCCC[C@H]32)C(=O)C1 4915283 OVFUVYGRDXWVFS-KRWDZBQOSA-N 359.897 4.590 0 40 FJAB COc1ccc(OC)c2c3c(ccc12)[C@]1(CCc2c(C)cccc21)OC3=O 6491385 IKMGJOYMJFXAJF-HSZRJFAPSA-N 360.409 4.526 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Cl)cn1 6790054 WJMSRTMFERKVFI-UHFFFAOYSA-N 370.286 4.729 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1ccc(COc2ccccc2)o1 7767575 QTYABZIGENFVSI-UHFFFAOYSA-N 350.399 4.721 0 40 FJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)C)c(C)c1 9461673 UTJJLJVXWOIKIE-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB O=C(CCc1ccco1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 9575336 FRGKTSKNGRZRBC-UHFFFAOYSA-N 366.486 4.781 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)cc3)c12 12747830 MFXLPHKWJQSFSD-UHFFFAOYSA-N 353.765 4.697 0 40 FJAB Cc1ccccc1NC(=O)Cc1nc(CN[C@@H](C)c2cccs2)cs1 12794507 RVFMLLRUSPKZIG-AWEZNQCLSA-N 371.531 4.545 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 12860486 FAKAYZHDSNIHEN-GFCCVEGCSA-N 372.519 4.821 0 40 FJAB Cc1c([C@H](C)NC(=O)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 12915521 CTBCBJMEAQHDAJ-ZDUSSCGKSA-N 373.378 4.691 0 40 FJAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)C)c1 13713333 WRCZXODBANTLII-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB Cc1ccc([C@@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1 14577292 RXLVTRXTFMSFAY-ZXFWNXIDSA-N 371.436 4.643 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc1C 15832375 OACKPHPTKPFNAD-MRXNPFEDSA-N 366.486 4.511 0 40 FJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccncc1 17586026 CYTIBPNZDMYFGX-UHFFFAOYSA-N 359.404 4.940 0 40 FJAB C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(Cl)cc1 17959669 FSFKOTBCJCSDCU-CYBMUJFWSA-N 372.877 4.867 0 40 FJAB Cc1ccc(C(C)C)c(OCCCn2c([C@@H](C)O)nc3ccccc32)c1 21167775 XKDGUQLWHXVEJX-QGZVFWFLSA-N 352.478 4.991 0 40 FJAB Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1cccnc1 22699070 FOEVNKDPNXQJCQ-UHFFFAOYSA-N 358.397 4.968 0 40 FJAB biogenic C[C@H](Sc1nccn1-c1ccccc1)C(=O)Nc1cccc2ncccc12 27491536 DNAUMJGPAUFUEW-HNNXBMFYSA-N 374.469 4.540 0 40 FJAB c1ccc(-n2ncc3c(SCc4cccc5cccnc45)ncnc32)cc1 29865111 JZUAWPDXYOARON-UHFFFAOYSA-N 369.453 4.656 0 40 FJAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39743311 QYRHRESLSGFFLD-UHFFFAOYSA-N 354.469 4.800 0 40 FJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccs2)[nH]n1 51315667 UTUATHKKWSFZFN-UHFFFAOYSA-N 373.437 4.622 0 40 FJAB O=C(NCc1ccccc1C(F)(F)F)c1cc2cc(Cl)ccc2[nH]1 57416210 BGYXPURSFGSHRG-UHFFFAOYSA-N 352.743 4.770 0 40 FJAB CCn1ccc2cc(NC(=O)CSc3nc4ccccc4o3)ccc21 65309970 JQSRRPBUFICENL-UHFFFAOYSA-N 351.431 4.533 0 40 FJAB COc1ccccc1N1CCN(C2c3ccccc3-c3ccccc32)CC1 69039081 APYGVRIBGBXHLC-UHFFFAOYSA-N 356.469 4.587 0 40 FJAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3F)n2)cc1C 84177756 LVCINJMQFNOQRE-FQEVSTJZSA-N 363.436 4.606 0 40 FJAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96118278 LPPYMMHXYSJDTJ-QGZVFWFLSA-N 371.868 4.553 0 40 FJAB C[C@@H](NCc1cccc(Cl)c1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296897 DYKBKXCPWWFAFW-LLVKDONJSA-N 374.799 4.683 0 40 FJAB biogenic,in-vitro CCc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cccc(SC)c2)C(=S)N1 101170049 SFJLYVCWSCCIAI-FXAWDEMLSA-N 370.543 4.905 0 40 FJAB O=C(/C=C/c1ccccc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219315970 IUGHXEWNRRGEEK-MBNRZODZSA-N 359.441 4.685 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224885266 JUELGGRRLGDDBP-ZDUSSCGKSA-N 353.340 4.608 0 40 FJAB CSc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1 224979969 BWQJLKHKYKIDET-UHFFFAOYSA-N 362.303 4.540 0 40 FJAB COc1cccc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)O)c1 225139370 ISSMCMQKXRUWFP-OAQYLSRUSA-N 364.397 4.562 0 40 FJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225255466 OLCKKSNWUVOWOA-DLBZAZTESA-N 351.490 4.773 0 40 FJAB COc1ccc(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225556820 BCDJIXMQTNJOKB-UHFFFAOYSA-N 368.424 4.633 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)cc1C 225685242 LIKDQNRCLKNTPQ-GOSISDBHSA-N 370.518 4.901 0 40 FJAB COc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 226331300 ZMAAOGUCPDFIAX-HOTGVXAUSA-N 367.493 4.605 0 40 FJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc2ncsc2c1 390827052 SUDBCSRELHWCOR-INIZCTEOSA-N 356.497 4.939 0 40 FJAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(Cl)cc2)cc1 408843645 RMINFAXNLMFPDH-XSFVSMFZSA-N 373.843 4.878 0 40 FJAB Cc1ccc(NC(=O)CNc2cccc3ccccc23)cc1Br 409393225 VZNYEBCWWDKRCM-UHFFFAOYSA-N 369.262 4.961 0 40 FJAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)c1ccco1 618255816 AIDQVOUUWLXAFA-INIZCTEOSA-N 360.866 4.626 0 40 FJAB CN(Cc1ccccc1)CC1CCN(Cc2cccc3cnccc23)CC1 679986117 SHGDZJGMASSSIN-UHFFFAOYSA-N 359.517 4.579 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cc1 1615154287 FCSNTUQGZCUEKD-SFTDATJTSA-N 366.480 4.796 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)C2CCCCC2)CN1c1cccc(F)c1 1615156949 LHCZGNGUPCNWSM-JOCHJYFZSA-N 358.501 4.756 0 40 FJAB Cc1c(O[C@H](C)C(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 639046 JMYZMTYSWMZVQA-OAHLLOKOSA-N 362.425 4.630 0 40 FJAB biogenic Cc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)c(C)c1 670654 CRGPGJCHSGMOBE-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)CC)C2 2084114 MZOBHMFXRDMHSN-CYBMUJFWSA-N 364.555 4.907 0 40 FJAB Cc1ccccc1-n1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2248072 HMLOFKLSUKWVTR-UHFFFAOYSA-N 356.469 4.966 0 40 FJAB CCOc1ccc2nc(NC(=O)c3cc(C)nc4ccccc34)sc2c1 2726555 QZWFEDYYHNIDRC-UHFFFAOYSA-N 363.442 4.804 0 40 FJAB CCCCc1ccc(NC(=O)c2cc3cccc(OCC)c3oc2=O)cc1 4393809 RDTAVPXWBCJVOM-UHFFFAOYSA-N 365.429 4.787 0 40 FJAB Fc1ccc(OCc2coc(-c3cccs3)n2)c(Br)c1 5453004 XRVSWOIAUWHNFY-UHFFFAOYSA-N 354.200 4.884 0 40 FJAB COc1ccccc1/C=C(\C(=O)NCc1ccc(F)cc1)c1ccccc1 6182543 PAMVGIBLLRPCCE-QNGOZBTKSA-N 361.416 4.691 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc2ccccc2nc1Cl 6262350 GHQDHYPNQJFLAQ-MRXNPFEDSA-N 355.850 4.647 0 40 FJAB COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 6810563 FRQNEDBEPGEDJZ-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB c1ccc(-c2nnc(CSc3nnc(NC4CCCCC4)s3)o2)cc1 6932744 RVVFNJQZMBHULZ-UHFFFAOYSA-N 373.507 4.625 0 40 FJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc2ccccc12 7871181 XPYHMVUHCAONBH-UHFFFAOYSA-N 358.441 4.718 0 40 FJAB COc1ccc(Oc2ccc(NC(=O)c3cccnc3Cl)cc2)cc1 8051374 KZCVPMPRDWFMQG-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB CCCCNc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)s1 9172929 JEPKATKHVZLCFQ-SNVBAGLBSA-N 370.931 4.523 0 40 FJAB CCN(C(=O)COc1ccc(F)cc1Cl)c1nc2ccccc2s1 12798137 LUTNTUFHPRLDGD-UHFFFAOYSA-N 364.829 4.521 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1F 12894624 XTNYVOLORCLEGS-VIFPVBQESA-N 364.442 4.949 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 12929281 RMGRKDMWGXDCMB-UHFFFAOYSA-N 363.457 4.852 0 40 FJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C)cc1 13769797 BJFVEVAWUZBAOM-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB C[C@H]1CCc2nc(NC(=O)c3cc(F)c(Cl)cc3Cl)sc2C1 17367911 QHNIQMZSXNYKNU-ZETCQYMHSA-N 359.253 4.966 0 40 FJAB O=C(CSC(=S)c1ccccc1)c1ccc(Br)cc1 18193511 JRIRFXVBFMYUIB-UHFFFAOYSA-N 351.290 4.741 0 40 FJAB Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 20048582 BKNYWDBXWIWQTI-ZOBSEURRSA-N 371.436 4.643 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN([C@@H](C)c1ccccc1)CO3 20609954 XCGDCYSKRQYRDW-INIZCTEOSA-N 363.457 4.967 0 40 FJAB biogenic CC(C)[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 32889583 HLLORIGQAFODLR-IIBYNOLFSA-N 368.477 4.605 0 40 FJAB CCCc1nc(CSc2ncnc3c2cnn3-c2ccccc2)cs1 32905979 YOKQMJAIDOQZQH-UHFFFAOYSA-N 367.503 4.517 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c12 36366230 PYAMLTFUHXVMOD-UHFFFAOYSA-N 359.813 4.569 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)c1 40095849 JEMCDRYPXLEEHN-SNVBAGLBSA-N 366.248 4.835 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44933550 LQTKHYJESXZRRU-IBGZPJMESA-N 350.506 4.862 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc(F)c1)NC2 55211424 IOPCYZYLUCKTBM-JOCHJYFZSA-N 366.436 4.606 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58426945 OLRPEUQIDITEQR-GFCCVEGCSA-N 372.519 4.992 0 40 FJAB CC(=O)Oc1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1 79059111 NUWHFDGPTHWQIZ-UHFFFAOYSA-N 366.486 4.601 0 40 FJAB COc1ccc(C(=O)C2CCN(CCSc3ccccc3F)CC2)cc1 97024799 NJMGBMYRNFSMQV-UHFFFAOYSA-N 373.493 4.521 0 40 FJAB CC[C@H](C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccccc1 206689251 XBVWKPQPWJECOH-HKUYNNGSSA-N 371.527 4.701 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)cc1 222819726 DUGDJFROXQGXBB-HRAATJIYSA-N 367.489 4.609 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)cc3C)o2)cc1 224856535 MIRFFBVWTZMISS-UHFFFAOYSA-N 364.445 4.928 0 40 FJAB CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225577767 VETOXQNVXOXETK-QGZVFWFLSA-N 356.491 4.674 0 40 FJAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2ccccc2N)o1 226348512 NCCYQIPMLNFOSC-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 543333936 ZEDQCZORTLLQCY-JOYOIKCWSA-N 366.292 4.583 0 40 FJAB Brc1ccc2nc(-c3cnc(-c4ccncc4)s3)[nH]c2c1 555964280 GASXSLLIDQJBNJ-UHFFFAOYSA-N 357.236 4.511 0 40 FJAB CSc1nnc(-c2ccc(Cl)nc2)n1-c1cccc(C(F)(F)F)c1 2564925 ZDBXSWROMBAVIY-UHFFFAOYSA-N 370.787 4.723 0 40 FJAB Cc1ccc(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c(C)c1 3051551 CMPLWSHPCHSNKL-CQSZACIVSA-N 351.705 4.574 0 40 FJAB O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1cccc(Cl)c1 3097708 LGOLWDQIKCOIKC-UHFFFAOYSA-N 374.827 4.661 0 40 FJAB COc1ccc(NC(=O)c2cc(Br)c3ccccc3c2O)cc1 3149539 FIMBGMIFGDDDAX-UHFFFAOYSA-N 372.218 4.569 0 40 FJAB COc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1F 3390453 ACRRZBGETPZUCW-UHFFFAOYSA-N 355.438 4.585 0 40 FJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C1 4170631 JBAVQRWGAKWHRL-IYBDPMFKSA-N 361.445 4.522 0 40 FJAB CC(=O)OC1=CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@@]12C 4578324 KPJNGUPMJAHAND-ITTUMRLJSA-N 354.446 4.525 0 40 FJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(C)cc2)o1 5863296 BAIXGXNBWVECQJ-UHFFFAOYSA-N 368.458 4.939 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1 6249466 PKAJYXXVESWWOW-JTQLQIEISA-N 354.631 4.509 0 40 FJAB CCCC(=O)c1cn(CC(=O)Nc2ccc(OCC)cc2)c2ccccc12 6386410 RJDGHYVRPUVWBZ-UHFFFAOYSA-N 364.445 4.662 0 40 FJAB Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccncc3)sc2c1 7978752 CHDIQRZJZYGUCA-UHFFFAOYSA-N 359.454 4.847 0 40 FJAB Cc1ccc(SCCNC(=O)COc2ccccc2C(C)(C)C)cc1 8041764 BHOYAOCTRBVFEY-UHFFFAOYSA-N 357.519 4.580 0 40 FJAB COc1ccc(CNC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1 8315022 LYFPCGIILGCSNC-JTQLQIEISA-N 371.239 4.702 0 40 FJAB COc1ccc(F)cc1CSc1nc(C2CC2)n(-c2ccccc2)n1 8428057 CTLZKMHWAGHWPA-UHFFFAOYSA-N 355.438 4.585 0 40 FJAB COc1ccc(-n2ccnc2SCc2nc3ccccc3s2)cc1 8483784 AEVBDZJTLQSJID-UHFFFAOYSA-N 353.472 4.783 0 40 FJAB COc1ccc2nc(-c3ccccc3)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8572512 OSAMSDLBJQEKEF-MRXNPFEDSA-N 362.473 4.848 0 40 FJAB COc1ccc(-n2c(CSc3ccc(Cl)cc3)n[nH]c2=S)cc1 8651783 OWUJSDISKZCMMM-UHFFFAOYSA-N 363.895 4.884 0 40 FJAB C[C@]12CC[C@H]3c4cc(OCC(F)(F)F)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 8665691 SEJLRFOCUWYOPK-MGYLJIMESA-N 370.411 4.550 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1O2 9135391 CNVYZQXUNXJLIH-UHFFFAOYSA-N 352.434 4.752 0 40 FJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2ccccc2c1 9500652 YLNQRZDDCNNCDG-UHFFFAOYSA-N 361.401 4.535 0 40 FJAB COc1ccc(NC(=O)c2nc(-c3ccccc3F)sc2C)cc1OC 11691891 CQTDQCRMCHBWPO-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1nc2c(c(C)c(C)n2Cc2cccnc2)c(N)c1Cc1ccccc1 12324356 ZCMMMLLAGJQMGV-UHFFFAOYSA-N 356.473 4.578 0 40 FJAB CC(C)c1ccc(-c2nc3cc4c(cc3c(=O)o2)OCCO4)c(C(C)C)c1 12619604 CZRITOOYBXEUGJ-UHFFFAOYSA-N 365.429 4.873 0 40 FJAB Cc1ccc(CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 12633825 RDARKWWKJFVREK-AWEZNQCLSA-N 351.479 4.500 0 40 FJAB Cc1cccc(CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 12633833 RTZCEQSVIKCOMJ-CQSZACIVSA-N 351.479 4.500 0 40 FJAB CSc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 13648433 BITGSSPHBSTZLN-UHFFFAOYSA-N 363.504 4.531 0 40 FJAB c1ccc(-c2[nH]c3ccccc3c2-c2csc(N3CCOCC3)n2)cc1 21474030 JAOSJVHGKGIBMD-UHFFFAOYSA-N 361.470 4.795 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235268 XJPLICMXZQRMAU-UHFFFAOYSA-N 373.239 4.507 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1Cl 22518630 AKQGRGDNLZJSRO-INIZCTEOSA-N 354.233 4.798 0 40 FJAB O=C(NCCOc1ccccc1)c1ccc(CSc2ccccc2)cc1 29224424 KSODZMBNKZOXCH-UHFFFAOYSA-N 363.482 4.788 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)Cc1cccc(C(F)(F)F)c1 32740961 DHBMGQWMASMXPJ-UHFFFAOYSA-N 364.392 4.516 0 40 FJAB O=C(c1cc(F)cc(Br)c1)N1CCC[C@@H]1c1cccs1 36396271 FGFXXUZDNLAIDU-CYBMUJFWSA-N 354.244 4.627 0 40 FJAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 38566831 IRXRZFUJEFRDMQ-AWEZNQCLSA-N 364.367 4.735 0 40 FJAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38833134 SWFXAWZOPBULHB-AWEZNQCLSA-N 363.288 4.844 0 40 FJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCc3nc(C)cs3)c2c1 40033910 PRQASULMOBDIJV-UHFFFAOYSA-N 373.481 4.905 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 40478354 DHRMHOGLNOGAAB-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(Cl)cc1Cl 44836903 FOAKHXBOEDFJMP-QGZVFWFLSA-N 352.261 4.776 0 40 FJAB COc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1 57354820 SKVQBZYLPMFTOS-UHFFFAOYSA-N 367.405 4.599 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1OCc1ccccc1 72212086 GCZOLWSBNMMBDW-NRFANRHFSA-N 358.441 4.638 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214315 HZEQIILQADIFEI-AWEZNQCLSA-N 363.458 4.501 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(Br)c2)C1 89212670 FBCQVHHBOLSEPR-CYBMUJFWSA-N 369.303 4.508 0 40 FJAB CCc1onc(C)c1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 89419630 VZRIXMPLKJQIQP-HNNXBMFYSA-N 355.438 4.504 0 40 FJAB O=C(NCc1ccccc1-c1ccsc1)c1cc(-c2ccco2)on1 96383241 CRQCIXABTFNHRG-UHFFFAOYSA-N 350.399 4.593 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100069887 OJXVAOKMXYGESR-HLNSBACISA-N 374.267 4.785 0 40 FJAB CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)cc1 100676477 JHSATHBJRSYSNM-UHFFFAOYSA-N 365.429 4.906 0 40 FJAB O=C(CC(=O)C(F)(F)F)c1ccc(OCc2c(F)cccc2Cl)cc1 101175583 OFTCGGIIUHJOIT-UHFFFAOYSA-N 374.717 4.762 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C 177284215 LUWZPMGGBRXRJE-UTKZUKDTSA-N 374.488 4.899 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222668503 XWGGGKHEOBHFNL-UHFFFAOYSA-N 360.457 4.551 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222971358 DEWBLFYNQOJWFS-ZHRRBRCNSA-N 367.489 4.609 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc(C)c1Cl 223574766 BLUKYSSIPOYNGB-MRXNPFEDSA-N 359.897 4.862 0 40 FJAB O=C(CCc1ccccc1Cl)NCc1ccc(CN2CCCCC2)cc1 224527345 CYCKQWUFFIFPAR-UHFFFAOYSA-N 370.924 4.575 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3C)o2)c1 224845623 XUBAPMLNEXNWFK-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB COc1ccc(Cl)cc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225121615 AALJURCWNFJFBZ-OAHLLOKOSA-N 357.258 4.790 0 40 FJAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccco1 225348937 ATKATWQHUZEOHW-UHFFFAOYSA-N 358.290 4.569 0 40 FJAB CC(C)C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 225493491 HZZLUDFQFLXVFG-KRWDZBQOSA-N 356.491 4.532 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)c(C)c1 225685393 VQCBRSVCLOBTDK-GOSISDBHSA-N 370.518 4.901 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225765451 WJLVHJNCHTWFHX-IBGZPJMESA-N 370.518 4.774 0 40 FJAB Cc1cc(N)c(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1Cl 226359501 NTQHNCAPDLSJBY-UHFFFAOYSA-N 373.667 4.863 0 40 FJAB CCCCn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257256419 KLKGDSIITZSXDF-UHFFFAOYSA-N 368.408 4.863 0 40 FJAB 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CC(=O)c1cccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)c1 10504101 DGZBILUVGLDMRL-HXUWFJFHSA-N 362.454 4.756 0 40 FJAB CCC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccc1 10967196 IEDSWSMUZFOVGE-LJQANCHMSA-N 350.466 4.592 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11073374 LEZRTEUZQKTGFV-QGZVFWFLSA-N 360.457 4.560 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1Cl 12912531 FNQHRFUMLXYCRV-LLVKDONJSA-N 362.907 4.945 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 14601884 LOGAHICZAOPYDL-UHFFFAOYSA-N 355.768 4.668 0 40 FJAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccc(F)cc3)c2C)cc1 17312243 VDFKPMXXZLAEAU-INIZCTEOSA-N 351.469 4.847 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccncc2)nc2ccccc12 17323966 BGYRMCIZRJHLDV-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB CN(C)c1nc2ccccc2cc1CNC1(c2ccccc2F)CCCC1 19584095 SRDXKQRCQKGQIF-UHFFFAOYSA-N 363.480 4.999 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 20096489 VUFIMBUOAKSRSR-UHFFFAOYSA-N 350.462 4.732 0 40 FJAB 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4.609 0 40 FJAB COc1ccc(NC2=NC(=O)S/C2=C/c2ccc3ncccc3c2)cc1 103500928 LJTOEYBQKLWTKU-LDADJPATSA-N 361.426 4.962 0 40 FJAB O=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccc(Br)s1 110396944 OHIWHBYCVQHWMZ-UHFFFAOYSA-N 367.655 4.829 0 40 FJAB Cc1ccc(CN2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)cc1 214448931 KIPOWOYIHSLYSY-YBFXNURJSA-N 362.454 4.723 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1CC 219294494 WXFWBKSQAVNVNN-SFHVURJKSA-N 369.505 4.554 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221228 JDXZTYRFYNPTFU-UTKZUKDTSA-N 351.490 4.827 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(C)c1 223546376 AVZKTUYLRDAFNF-PKOBYXMFSA-N 355.478 4.655 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224452937 FRDRKDDFWVYRPZ-ZWKOTPCHSA-N 369.877 4.814 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881989 CVZJPEMWOTXBRW-HNNXBMFYSA-N 353.340 4.690 0 40 FJAB COc1cc(CNC(=S)Nc2ccc(C)cc2C)ccc1OC(C)C 225529995 DKKYODIVSQQICB-UHFFFAOYSA-N 358.507 4.586 0 40 FJAB CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1C 225814656 SBRPEOYGCFWACI-KRWDZBQOSA-N 351.368 4.660 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(C)cc2N)c(Cl)c1 226359332 IQPVXDQGGYQAOR-UHFFFAOYSA-N 353.249 4.518 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 408709152 PCMWNFPVPJNDFC-UHFFFAOYSA-N 358.526 4.662 0 40 FJAB Cc1ccccc1NC(=O)NC[C@@H](c1csc2ccccc12)N(C)C 575619384 DKQCEUMVKLADEX-SFHVURJKSA-N 353.491 4.634 0 40 FJAB CC(C)CCN1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643563011 CDIOWAQXBBBHIO-UHFFFAOYSA-N 371.496 4.674 0 40 FJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCC2 725909 FLPOEJVHKZFPAT-HOTGVXAUSA-N 369.486 4.546 0 40 FJAB COc1ccc2c(C)cc(SCC(=O)Nc3ccccc3Cl)nc2c1 943177 ISPLJMVEMDALAK-UHFFFAOYSA-N 372.877 4.936 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)c(C)c1 948618 NRBOIBPBHOEXRG-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB Cc1cc(C)c2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc2c1 1342943 PXAIFCQVBFOTAC-NSHDSACASA-N 353.491 4.521 0 40 FJAB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccccc2F)n1 2429141 QJIWITMOCSBGAJ-UHFFFAOYSA-N 361.376 4.922 0 40 FJAB O=C(C[C@@H](NCc1cccs1)C(=O)O)c1ccc(C2CCCCC2)cc1 2570966 SGMOMGWQNHHHTC-LJQANCHMSA-N 371.502 4.612 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 2951254 DZUNCNJSDWAIPS-QOCHGBHMSA-N 361.426 4.682 0 40 FJAB COc1cc(/C=C/C(=O)Oc2cc(C)ccc2C(C)C)cc(OC)c1OC 3289155 GTPUEIXKLQUDEJ-CSKARUKUSA-N 370.445 4.763 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 4033280 VPMURRGKTNOQEZ-SFHVURJKSA-N 361.489 4.919 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)o1 4496608 VYVPOTUKTLNLAM-UHFFFAOYSA-N 359.838 4.511 0 40 FJAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 6396876 MYEMKSKNNMNRJF-UHFFFAOYSA-N 368.477 4.956 0 40 FJAB C[C@@H](CC(C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1)N(C)C 6487036 XBOQPGNZBJLXJS-FQEVSTJZSA-N 372.512 4.952 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)OCc1ccc(Cl)cc1 6519788 OIPRCMPUCSLOOA-UHFFFAOYSA-N 366.244 4.764 0 40 FJAB O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)CCCC2 6543907 PNPSSDVTYCWYQC-UHFFFAOYSA-N 364.470 4.514 0 40 FJAB Cn1c(=O)cc([C@@H]2O[C@H]3CCCC[C@@H]3c3sccc32)c2ccccc21 6667982 MZUCILPNLOGHPD-ADLFWFRXSA-N 351.471 4.746 0 40 FJAB Cc1ccccc1OCC(=O)N(Cc1ccco1)Cc1ccccc1Cl 6810618 GUOCUVYVLIUQFS-UHFFFAOYSA-N 369.848 4.849 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1F 7688151 VDBZLWVVHSZCMM-UHFFFAOYSA-N 355.331 4.815 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)cc1 8071201 LOTGIGIEOVVBAM-UHFFFAOYSA-N 364.367 4.737 0 40 FJAB C[C@H]1C[C@@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(=O)O1 8326253 SOIHZPDWALMKBI-XJKSGUPXSA-N 351.427 4.805 0 40 FJAB Cc1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c2ccccc2n1 8992380 WCWMLKSJRBXXKG-UHFFFAOYSA-N 361.405 4.516 0 40 FJAB COc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 9513824 KSPDQSLYBZRXEV-DEOSSOPVSA-N 371.436 4.890 0 40 FJAB COc1ccc(Oc2cc(NC(=O)c3ccccc3F)ccc2OC)cc1 11292162 NZEWVCWJTPIWAS-UHFFFAOYSA-N 367.376 4.888 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(SC[C@@H](O)c4ccccc4)c23)C1 11530659 KKNOWBPAAANZOS-IUODEOHRSA-N 356.516 4.642 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl 11692507 RKXDBKIWXWVTHD-SFHVURJKSA-N 358.869 4.992 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CNc3ccccc3OC)ccc21 12543619 QKZGIKAJYHJJAQ-UHFFFAOYSA-N 373.456 4.874 0 40 FJAB CN1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 12771402 QBHUUWJUOQLXEL-UHFFFAOYSA-N 374.513 4.653 0 40 FJAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cc1cc(-c2ccc(F)cc2)on1 12864466 KCJCKNPSVDLQJT-CYBMUJFWSA-N 368.383 4.530 0 40 FJAB COC(=O)Nc1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 13570815 AKXXAWDIQTXYHR-UHFFFAOYSA-N 359.451 4.507 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 14552633 NAYYVQUODFQPKV-UHFFFAOYSA-N 351.450 4.702 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1 20488257 BAOZEIXRFPJZHQ-FQEVSTJZSA-N 365.498 4.906 0 40 FJAB C[C@H](NCc1ccc(OCc2cccs2)cc1)[C@@H](O)c1ccccc1 22076409 AHZFATVSQZPAEZ-HRAATJIYSA-N 353.487 4.539 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 23058367 DCGGEHAGCMEYAU-GOEBONIOSA-N 367.493 4.906 0 40 FJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Nc2ccccc2)cc1 24660795 YIJLLNZPXLKKQD-OAHLLOKOSA-N 350.393 4.975 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2F)o1 26304744 VTKYUSOBWWIITK-UHFFFAOYSA-N 361.420 4.870 0 40 FJAB O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc2cc[nH]c2c1 36365659 JZIZBWXTYNTQPV-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB O=C(CSC1CCCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 38486249 MMZUGLPNHIHBNU-UHFFFAOYSA-N 357.504 4.677 0 40 FJAB COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1Cc1ccccc1 39539169 KVJJBROXOOAXKU-UHFFFAOYSA-N 350.443 4.596 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1 44843550 FVFAMIGAVYTROY-JOCHJYFZSA-N 365.448 4.885 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccncc1 58282131 IYXABMRNVVZWRW-UHFFFAOYSA-N 364.876 4.549 0 40 FJAB Cc1c(C)c2ccc3c(c2oc1=O)CN([C@H]1CCCc2ccccc21)CO3 61997666 KZTVSWWCXDUAJR-FQEVSTJZSA-N 361.441 4.639 0 40 FJAB biogenic C[C@H]1CN(c2ccccc2NC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 89936880 HXJRFFJTSCMKCT-CALCHBBNSA-N 360.457 4.706 0 40 FJAB Cc1nc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)oc1C 95377526 MWHLDKQLNOUWGN-AWEZNQCLSA-N 356.451 4.660 0 40 FJAB Clc1cccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 96024370 KURRDCFFDCKGGE-UHFFFAOYSA-N 359.882 4.831 0 40 FJAB CO[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1C 96105201 REJGBIHZBWSUSW-INIZCTEOSA-N 352.356 4.523 0 40 FJAB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102699514 JAKRXWHZLILKLD-IIBYNOLFSA-N 374.419 4.791 0 40 FJAB CC(C)Oc1c(Cl)cccc1NC(=O)c1cnc(-c2ccccn2)s1 118242708 XCJVUCXXFMNJQG-UHFFFAOYSA-N 373.865 4.898 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219037309 AYQZPPRYMJCIRF-KRWDZBQOSA-N 363.457 4.711 0 40 FJAB CCOc1ccc(Cl)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585041 FHQLGAMIVMCAMV-RZAIGCCYSA-N 373.909 4.723 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 224469138 KWPNAQHMXCHXBO-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224707430 BIIDVFDESVDRJF-UHFFFAOYSA-N 364.681 4.862 0 40 FJAB Cc1cc(CCC(=O)NCc2ccc(-c3ccco3)nc2)ccc1Cl 225751865 KFZFAQYHUCGGQF-UHFFFAOYSA-N 354.837 4.552 0 40 FJAB Cc1cccc(COc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)c1 256027943 KUPMDMSQYXLMBW-UHFFFAOYSA-N 358.397 4.816 0 40 FJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408662062 MLZGOIZVRMREGI-KRWDZBQOSA-N 365.473 4.505 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 409201880 OWCXDHIVYUWVOY-DHDCSXOGSA-N 369.870 4.584 0 40 FJAB CCc1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)[C@H](C)CC)c1 1505840568 BVGXGYVUUYMLRL-IOWJLKDZSA-N 358.526 4.545 0 40 FJAB CCc1ccc(C(=O)COC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1 3371615 BBESZQNVWSFCFJ-UHFFFAOYSA-N 368.473 4.742 0 40 FJAB COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3441257 YDKXADZAEAAGFI-GFCCVEGCSA-N 368.260 4.567 0 40 FJAB Clc1ccc(OC[C@@H]2CO[C@@H](c3ccc(Br)cc3)O2)cc1 4782723 BYCGUPJLPVVBJI-HZPDHXFCSA-N 369.642 4.596 0 40 FJAB CCCCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1CCC2 4889281 UFPZEGYJSLOMHY-UHFFFAOYSA-N 354.523 4.917 0 40 FJAB C[C@@H](Nc1ccc(Br)cc1)c1nnc(-c2cccs2)o1 5261772 YVJVRYBWYTWUKC-SECBINFHSA-N 350.241 4.734 0 40 FJAB O=C(Nc1ccccc1)O[C@@H]1C=CC=CC[C@H]1OC(=O)Nc1ccccc1 5774479 LGRYHKCLPWYIOH-RTBURBONSA-N 364.401 4.737 0 40 FJAB biogenic C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)NCc1ccccc1 5971826 VKNUUPPXPZQFTQ-AWEZNQCLSA-N 354.500 4.607 0 40 FJAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)c1ccccc1 6175355 QQDZPCUJVLMJGU-NSHDSACASA-N 359.451 4.784 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 6372822 QMRPSJCAGTVBEM-JTQLQIEISA-N 359.731 4.645 0 40 FJAB CCOc1ccccc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 7066070 WJSDSZAYYDICBV-MRXNPFEDSA-N 361.850 4.550 0 40 FJAB O=C(O)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 7093107 HTBBRTZJVUAYCG-NVGCLXPQSA-N 370.246 4.974 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)o2)cc1C 7192349 BMOKREGIICOUGL-CYBMUJFWSA-N 356.422 4.856 0 40 FJAB COc1ccc(-c2cc(NC(=O)Cc3cccc(F)c3)ccc2OC)cc1 7639386 FENHSTHEAILVKX-UHFFFAOYSA-N 365.404 4.691 0 40 FJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)s1 7884966 KCZYOGCBHIQMIL-LJQANCHMSA-N 364.426 4.556 0 40 FJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c1 7929134 HKQCOLHVNLIEAX-SFHVURJKSA-N 365.473 4.694 0 40 FJAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 8003749 VZUXACYVTQLCCK-SFHVURJKSA-N 368.374 4.770 0 40 FJAB Cc1nc2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2o1 8156451 CJTLSFFIBOQPTA-UHFFFAOYSA-N 358.397 4.968 0 40 FJAB CCSc1ncc(Cl)c(C(=O)Nc2cc(Cl)cc(Cl)c2)n1 9134152 ICUZUYADOVGJEA-UHFFFAOYSA-N 362.669 4.801 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 9950084 YDYDPHHNLAMWJX-NRFANRHFSA-N 373.408 4.508 0 40 FJAB O=C(c1ccc(F)cc1F)N1CCc2sccc2[C@H]1c1ccccc1 12568306 XWNDJTPKTZBMGK-LJQANCHMSA-N 355.409 4.814 0 40 FJAB COc1ccc(C)cc1-c1csc(NC(=O)CCc2cccs2)n1 12980937 RRIGYGPGCNHLEN-UHFFFAOYSA-N 358.488 4.760 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 20528738 HKNPXHDXIWPTNF-UHFFFAOYSA-N 355.434 4.683 0 40 FJAB Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 22502725 QRRMDBLRXLCDTJ-UHFFFAOYSA-N 351.450 4.574 0 40 FJAB CC(C)NC(=O)CC1(C(=O)Nc2ccc(-c3ccccc3)cc2)CCCC1 22558726 DUMFZPGYUJMMME-UHFFFAOYSA-N 364.489 4.767 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1Cl 27583612 LBKWHVFJHUGDDF-UHFFFAOYSA-N 356.809 4.873 0 40 FJAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cccc2ccccc12 31094856 UZAVFLHHEKJPDO-UHFFFAOYSA-N 360.457 4.710 0 40 FJAB Cc1ccccc1-c1noc(CSCC(=O)Nc2c(C)cccc2C)n1 31422869 YCJAHBLHSNFWQK-UHFFFAOYSA-N 367.474 4.534 0 40 FJAB CN(C(=O)COc1ccccc1)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 32593872 JEHBARLSZOCDGF-DEOSSOPVSA-N 370.452 4.795 0 40 FJAB COc1ccc(C(C)=O)cc1CSCc1cc(-c2ccccc2)on1 32909394 ZEXAAMNDCMTPLT-UHFFFAOYSA-N 353.443 4.986 0 40 FJAB O=C1N[C@@H]2S[C@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@H](c3ccc(Cl)cc3)[C@H]2S1 35569169 YTFQJULJUPEYPV-AZAAQWLJSA-N 351.924 4.736 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 38771782 AWBSTRWUQDUWJU-HUUCEWRRSA-N 361.869 4.610 0 40 FJAB O=C(c1cc(Cl)ccn1)N1CCCC[C@H]1c1nc2ccccc2s1 40817871 OTVUANQYTOHVTQ-HNNXBMFYSA-N 357.866 4.712 0 40 FJAB Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 44883869 BYMFNMFEJVHEKN-DEOSSOPVSA-N 359.469 4.896 0 40 FJAB ClC1(Br)[C@@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Br 63760904 SFVAUXRMMFFMJV-OUUZFZCISA-N 362.920 4.712 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)cc1 72242833 JUXUCJNWRHOWLI-FQEVSTJZSA-N 366.848 4.653 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C[C@H](c2cccs2)C1 102745952 DTHBEMAZLKBDEV-YVEFUNNKSA-N 364.430 4.760 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1cnc(-c2cccc(F)c2)nc1 222622451 NMEXSYKHEZZJFI-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB Cc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)c1 222664907 LXVBHVKGJNVVJH-UHFFFAOYSA-N 365.901 4.770 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2 222917908 UEYCWCLOROLNPM-SFHVURJKSA-N 369.461 4.551 0 40 FJAB CC(C)c1ccc(OCC(=O)NCCOc2ccc3ccccc3c2)cc1 223614807 WIBDWRMNGWBUPN-UHFFFAOYSA-N 363.457 4.537 0 40 FJAB Cc1cccc(OCCNC(=O)CCc2ccc(Cl)c(Cl)c2)c1C 223971370 RLIFTAHSFRRCHG-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB CCCOCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OCC 224712278 XIEXPQMOVZBHJJ-OAHLLOKOSA-N 359.441 4.642 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COCC(C)C 224743720 BBJZJICINNYQJA-MRXNPFEDSA-N 373.468 4.888 0 40 FJAB Cc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225827670 DKRSGVDVHMLWGC-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB C[C@@H]1C(=O)CC[C@@H]2[C@@](C)(COc3ccc4ccc(=O)oc4c3)CCC[C@]12C 254759106 MZSKOLFPMYKYCT-RPRCKKEOSA-N 368.473 4.984 0 40 FJAB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1C 408811957 OUTPAGSMBQSSPA-UHFFFAOYSA-N 373.885 4.728 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c(C)c1 408822713 SPFVESOVCALPGT-LICLKQGHSA-N 356.422 4.548 0 40 FJAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(Cl)cc2)c1 408847963 WEXXGOSCSBJSFI-XSFVSMFZSA-N 373.843 4.878 0 40 FJAB COc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 408907824 SURKKUFGYUOIEN-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccncc5)(C4)C2)C3)cc1 641920754 HTEFNOICHHXAQD-LMHXZZLNSA-N 360.501 4.544 0 40 FJAB CCn1ncc(NC(=O)N[C@H]2CCCC23CCCCC3)c1C(F)(F)F 667005414 SKXNWRKSHPRXPV-ZDUSSCGKSA-N 358.408 4.546 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccs2)CN1c1ccc(F)cc1 1615118997 GOBPVXZAHDPJIU-HXUWFJFHSA-N 358.482 4.551 0 40 FJAB COc1cccc2cc(C(=O)NCc3cc(-c4ccco4)cs3)oc12 1775968860 NQBQNSGIHIHRGW-UHFFFAOYSA-N 353.399 4.693 0 40 FJAB O=C(NCCc1ccc(-c2cccs2)s1)c1cc(-c2ccco2)on1 1889282312 DVHGDHUSASVNAF-UHFFFAOYSA-N 370.455 4.697 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 682477 PAAXDPVVZGNPLZ-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB Nc1cc(-c2cccc(Br)c2)nn1Cc1ccc(Cl)cc1 840536 YAGLBODWCINYSH-UHFFFAOYSA-N 362.658 4.597 0 40 FJAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1cc(Cl)ccc1O 1387266 BZTGPVLYNFXFHH-VGOFMYFVSA-N 353.230 4.697 0 40 FJAB COc1ccc(-c2nc3ccccc3n2OCc2cc(C)cc(C)c2)cc1 1396576 RVWZIXLVOSYORU-UHFFFAOYSA-N 358.441 4.958 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 2315873 SQMLZTGWKOQXIH-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB FC(F)Oc1ccc(Br)cc1-c1nnc(-c2cccs2)o1 2803585 QWRCVLGWNHXIEY-UHFFFAOYSA-N 373.178 4.829 0 40 FJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 4854422 ZDBQQPFMEFCTFY-HXUWFJFHSA-N 367.399 4.712 0 40 FJAB c1ccc(-n2c(SCc3cn4ccccc4n3)nc3ccccc32)cc1 4864568 WJCUQADDECHILE-UHFFFAOYSA-N 356.454 4.966 0 40 FJAB CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 4912769 WRMXBEOSHNHCME-AWEZNQCLSA-N 359.491 4.890 0 40 FJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@@H](C)CC3 5516178 FTRQJOOKNNXZIC-NSHDSACASA-N 361.488 4.728 0 40 FJAB COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccccc1F 6882515 NIUNPAVXQZTTNW-UHFFFAOYSA-N 351.849 4.955 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2cccc3ccccc23)cc1 6949658 FOGPRRKEMQSFLS-UHFFFAOYSA-N 362.473 4.699 0 40 FJAB CCc1cc2c(SCc3nc(-c4cccs4)no3)ncnc2s1 7019000 BZRCTVYKFAJICS-UHFFFAOYSA-N 360.489 4.658 0 40 FJAB COc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 7370041 ROCULQYOHHILII-UHFFFAOYSA-N 366.939 4.568 0 40 FJAB O=c1[nH]c(/C(Cl)=C/c2cccc(C(F)(F)F)c2)nc2ccccc12 7503404 RUZNUNAZAQNPSP-LCYFTJDESA-N 350.727 4.679 0 40 FJAB COc1cc(CN(C)C(=O)[C@H]2CC=CCC2)ccc1OCc1ccccc1 7984806 KVCFACCRXNAYCI-FQEVSTJZSA-N 365.473 4.589 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 7985364 BFPQUQFQFQXYRI-QGZVFWFLSA-N 372.468 4.837 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3cc(F)ccc3C)cc2)cs1 8075716 WPCMOLRRMFISBG-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1nc(COc2ccc(C(=O)NCc3ccccc3Cl)cc2)cs1 8076870 JLYPYSXKRIHYHQ-UHFFFAOYSA-N 372.877 4.614 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)c3cc4ccccc4o3)cc2)cs1 8324572 IRPSBTZLQLDODP-UHFFFAOYSA-N 362.454 4.837 0 40 FJAB COc1ccccc1-c1n[nH]c(=S)n1NC/C=C/c1ccc(Cl)cc1 8496543 HSDNPYLKYVQRIF-SNAWJCMRSA-N 372.881 4.527 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N(Cc1cccc(F)c1)Cc1ccco1 8917685 BHLLDOZQGVKVMR-UHFFFAOYSA-N 357.812 4.844 0 40 FJAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc3ccc(F)cc3)nc21 9212254 BLQSUOXCBPGZAI-UHFFFAOYSA-N 368.803 4.643 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 9391573 DESWQOULPMMVGI-UHFFFAOYSA-N 355.507 4.836 0 40 FJAB Cc1nc(Nc2ccc(NC(=O)c3cccs3)cc2)cc(OC(C)C)n1 11027697 RFAUDWSWYHEOHA-UHFFFAOYSA-N 368.462 4.630 0 40 FJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 12022938 AQSLUEMWWCDIOP-UHFFFAOYSA-N 367.452 4.528 0 40 FJAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 12542189 CNMAJPQLNXVTAG-SHQCLWGWSA-N 374.383 4.733 0 40 FJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C(C)C)c2)c1 12600811 YUUBYTLJVURHIV-UHFFFAOYSA-N 366.490 4.678 0 40 FJAB COc1ccccc1CN(C)C(=O)/C=C/c1ccc(Cl)cc1Cl 14869880 IJSJGOGALNIGKB-CSKARUKUSA-N 350.245 4.674 0 40 FJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1OC(F)F 15360952 LTPPMPHCOPKRAF-NSHDSACASA-N 355.768 4.656 0 40 FJAB CCCc1cc(=O)[nH]c(SCc2csc(Nc3ccc(C)cc3)n2)n1 18084832 BZXBVWVIVPUTBI-UHFFFAOYSA-N 372.519 4.523 0 40 FJAB COc1cccc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC 18174163 PSQRLDGHHDXNOV-UHFFFAOYSA-N 369.248 4.675 0 40 FJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@@H](C)O3)nc1 19215517 HROFPFRIHGCVTD-IIBYNOLFSA-N 364.514 4.849 0 40 FJAB CC(C)Oc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 20490389 NBZKDFSLGIAFLZ-UHFFFAOYSA-N 363.910 4.677 0 40 FJAB O=C(COc1cc(Cl)ccc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 22408860 YDPXIUMQRAYBHB-MWLCHTKSSA-N 370.198 4.610 0 40 FJAB Cc1c(C(=O)N(C)CCOc2ccc(F)cc2)sc2cccc(F)c12 24387488 DTHHTMQFDKJGML-UHFFFAOYSA-N 361.413 4.639 0 40 FJAB CC(C)c1nc2cc(NC(=O)c3nc(Cl)ccc3Cl)ccc2o1 32818782 MCKSBZGSGNIFIO-UHFFFAOYSA-N 350.205 4.905 0 40 FJAB COc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 32833055 SGFGGPKJOREHIO-UHFFFAOYSA-N 372.877 4.577 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)nc2onc(C)c12 32888524 ULCUQJVOOQDCBW-INIZCTEOSA-N 367.474 4.620 0 40 FJAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccc(F)cc1 36358178 UWSMIJDWKSKWQH-KRWDZBQOSA-N 365.408 4.922 0 40 FJAB Cc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c(C)c1 36611713 BKXCBZQDAPWYNS-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccccc1C 44842483 HMTCUZLNBXDGFP-OAQYLSRUSA-N 371.546 4.819 0 40 FJAB O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1 48374902 CMYXMHXHOWONAQ-UHFFFAOYSA-N 350.643 4.522 0 40 FJAB Cc1nc(Cc2nnc(S[C@H](C)c3cc(F)ccc3F)o2)cs1 56282470 YJJUZDXZHRDEDL-MRVPVSSYSA-N 353.419 4.557 0 40 FJAB CCN(C(=O)NC1CCN(CC(C)C)CC1)[C@H](C)c1cc2ccccc2o1 56597137 PDNYOUGCQZUABU-QGZVFWFLSA-N 371.525 4.646 0 40 FJAB CCc1cc(=O)oc2c3c(ccc12)OCN([C@@H]1CCCc2ccccc21)C3 57129067 GGRFQLLKXXFQCW-HXUWFJFHSA-N 361.441 4.585 0 40 FJAB Cc1csc(N2CCC(C(=O)N[C@H](C)c3ccc(C(C)C)cc3)CC2)n1 58029666 UAYSUPWOIBYTJU-MRXNPFEDSA-N 371.550 4.669 0 40 FJAB O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccc(F)c(F)c1 58365661 NOVXLMFCOIMEMG-UHFFFAOYSA-N 370.424 4.841 0 40 FJAB Cc1ncc(CN(C)C(=O)Nc2ccc(OCc3cccs3)cc2)s1 58416887 XRYAEAVXCZISCW-UHFFFAOYSA-N 373.503 4.756 0 40 FJAB CC(=O)c1cc2c(C)c(C(=O)c3ccc(Br)cc3)oc2cc1O 68734547 CBXAQTORZWUUGN-UHFFFAOYSA-N 373.202 4.643 0 40 FJAB COc1cc(C(=O)NCc2ccc(C(C)C)cc2)nc2c(C)cc(F)cc12 72329497 UKPCCCDFEVTEIX-UHFFFAOYSA-N 366.436 4.744 0 40 FJAB Cc1nc2c(cc(OCC(=O)NC(C3CC3)C3CC3)c3ccsc32)s1 84287022 JZLLQZRNNZMSMF-UHFFFAOYSA-N 372.515 4.503 0 40 FJAB Cc1c(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)oc2c1C(=O)CCC2 95408097 OVQNBVLVFJSRNQ-IBGZPJMESA-N 357.425 4.763 0 40 FJAB Cc1ccc(C)c([C@@H]2C3=C(O)CCCC3=Nc3nc(C(F)(F)F)nn32)c1 102588883 ZJXGHIVHKBGDGO-OAHLLOKOSA-N 362.355 4.585 0 40 FJAB CCN(CCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224981790 WHLKSWQJKAIXRH-UHFFFAOYSA-N 358.485 4.539 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCc2ccccc2Cl)cc1 247730605 GZOIADSRYIUVIJ-UVFQYZLESA-N 355.865 4.837 0 40 FJAB Cc1cc(C)nc(N2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)n1 257295541 QYTPABLQUXFIBO-NRFANRHFSA-N 362.452 4.560 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 408867934 MNWWMJDXYFLPQG-ZDUSSCGKSA-N 351.924 4.729 0 40 FJAB COc1ccc(CCCC(=O)Nc2cccc(Br)c2)c(C)c1 408909128 GCXODANBSJZPBT-UHFFFAOYSA-N 362.267 4.728 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 639929 UBJIZCHUPNFKMQ-UHFFFAOYSA-N 368.607 4.949 0 40 FJAB biogenic CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)C(C)C)cc12 942059 VVPXDQYRIYDLHI-UHFFFAOYSA-N 352.386 4.838 0 40 FJAB biogenic O=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1 1326924 IUTILDMWJOCHNF-UHFFFAOYSA-N 355.825 4.893 0 40 FJAB Cc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NC3CCCCC3)cc2c1 1330180 YYEZHYFKCAUFTL-UHFFFAOYSA-N 372.472 4.896 0 40 FJAB O=c1c(Oc2ncnc3ccccc23)c(-c2ccco2)oc2ccccc12 1987881 IUHLIJGKXVJUNO-UHFFFAOYSA-N 356.337 4.789 0 40 FJAB O[C@H](COc1ccc(Cl)cc1)CSc1ccc(Br)cc1 3281462 XAFSHWRPQACGNL-CYBMUJFWSA-N 373.699 4.635 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)C(CC)CC)cc2)cc1 3294727 FJHLTYLFLCOSAQ-UHFFFAOYSA-N 354.450 4.712 0 40 FJAB Clc1ccc2c(c1)[C@H]1CC(c3cccnc3)=NN1C1(CCCCC1)O2 4715938 POSMVARYMICLNG-GOSISDBHSA-N 353.853 4.939 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc2ccccc2c1 5099287 OFPHITQWBDYQNY-UHFFFAOYSA-N 370.452 4.781 0 40 FJAB COc1ccc2nc(/C=C/c3ccc(OCC(=O)O)cc3)cc(Cl)c2c1 6407113 MMMUURKZCAZVLM-GORDUTHDSA-N 369.804 4.531 0 40 FJAB O=C(Nc1ccccc1N1CCCC1)c1cc(C2CC2)nc2ccccc12 6609524 CVFMWBCSMVEUTQ-UHFFFAOYSA-N 357.457 4.965 0 40 FJAB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)O 6959523 RDKBIVDCSQPSRQ-UFFVCSGVSA-N 361.825 4.570 0 40 FJAB Cc1ccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6966515 PZVBKRBEFRUYAG-NFYBBCHUSA-N 367.518 4.875 0 40 FJAB Cc1c(C(=O)OCc2nnc(-c3cccs3)o2)sc2cccc(F)c12 8394475 TYEMQUQBIXZGTF-UHFFFAOYSA-N 374.418 4.817 0 40 FJAB Cc1c(C(=O)OCc2ncc(-c3ccccc3)o2)oc2c(F)cccc12 8545426 DNWDZNIDTUKFLN-UHFFFAOYSA-N 351.333 4.892 0 40 FJAB Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2n1 9572066 IGTHYLOOXCTRJM-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB Cc1cc(C)nc(SCC(=O)n2c3c(c4ccccc42)C[C@@H](C)CC3)n1 10381913 MKRFPDHVGDZHII-ZDUSSCGKSA-N 365.502 4.605 0 40 FJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(NC(=O)c2cccs2)cc1 10491841 ATYQVRUBIGDQSF-UHFFFAOYSA-N 358.369 4.531 0 40 FJAB CCOc1cc2c(cc1NC(=O)COc1ccc(C(C)C)cc1)O[C@@H](C)C2 10905031 ZNGBRGSPNLEJHE-HNNXBMFYSA-N 369.461 4.550 0 40 FJAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1Cl 12550445 IESQQNXLPBIMMT-HNNXBMFYSA-N 357.885 4.769 0 40 FJAB O=C1CCC[C@@H]1Sc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 12627786 YYDGKQZGRUFRJA-FQEVSTJZSA-N 366.461 4.951 0 40 FJAB COc1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(C)cc2)cc1 13729175 NSHAKYBGVOYPGD-UHFFFAOYSA-N 366.486 4.996 0 40 FJAB CCOCc1c(C(=O)Nc2ccc3oc(C)nc3c2)oc2ccccc12 14022260 ZKCWDNRHOCFPKJ-UHFFFAOYSA-N 350.374 4.671 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1 19933860 DPAJHUMHCOYGNA-INIZCTEOSA-N 352.261 4.809 0 40 FJAB O=C1N[C@H](c2ccc(OCc3ccccc3Cl)cc2)Nc2ccccc21 20244063 WVJYDWORNCNUHW-HXUWFJFHSA-N 364.832 4.773 0 40 FJAB Cc1ccc(C(=O)[C@H](Sc2nc(C)cc(N)n2)c2ccc(C)cc2)cc1 23106319 ILQMIEKFLPGDKD-HXUWFJFHSA-N 363.486 4.700 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1cccc(Cl)c1 23790250 PERUDYWBSPZASX-NSHDSACASA-N 354.281 4.645 0 40 FJAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Br)cn3)ccc21 27980647 IVEPDIFNOAEXPK-UHFFFAOYSA-N 372.266 4.688 0 40 FJAB Fc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1 40383887 ZWHIDNILRXXEJV-UHFFFAOYSA-N 370.019 4.665 0 40 FJAB Cc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccccc1 40396247 GRNLIQNZVJRSBC-KXBFYZLASA-N 372.472 4.771 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 44933465 OKVUXVXCOPECPD-QGZVFWFLSA-N 370.924 4.738 0 40 FJAB COc1cccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 57477905 DJNVKUNJTSLYIZ-OAQYLSRUSA-N 363.457 4.756 0 40 FJAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCCC2)cc1 58809412 NHCSUVWBRKYVDE-UHFFFAOYSA-N 353.462 4.933 0 40 FJAB Cc1[nH]c2ccc(C(=O)OCc3c(Cl)nc4sccn34)cc2c1C 71794474 LNAVYOWSSBJFPZ-UHFFFAOYSA-N 359.838 4.504 0 40 FJAB Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)cc1 72329772 YBRQQCYZQPAEQN-UHFFFAOYSA-N 352.242 4.683 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353289 GRXLAAWRGABYEV-SFHVURJKSA-N 364.493 4.507 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102678115 BWOSLWJIHVAPBF-INIZCTEOSA-N 354.479 4.698 0 40 FJAB CCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 205593224 ZZNQQLPNHPZXMQ-QNGOZBTKSA-N 374.440 4.560 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 219545424 GCZFFDYXYBIEKN-IBGZPJMESA-N 369.505 4.607 0 40 FJAB CCCNC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224177545 ZEODOOIUXYBKCE-UHFFFAOYSA-N 355.478 4.712 0 40 FJAB Fc1ccc(CCCNC(=S)Nc2cccc(Br)c2)cc1 225546391 AHQCUYZYVPPPNP-UHFFFAOYSA-N 367.287 4.507 0 40 FJAB CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(C)cc1C 225814294 DCMGCMXKERGKIO-SFHVURJKSA-N 365.395 4.969 0 40 FJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c3ncccc23)CCC[C@H](C)C1 225911834 BGPUBSIKTSNTHC-AOMKIAJQSA-N 370.493 4.948 0 40 FJAB COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC 226343630 GLLFMSAXIVBHPW-UHFFFAOYSA-N 367.630 4.663 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)S1 260772065 MGWGYYKHPHCGRZ-MDASCCDHSA-N 352.507 4.588 0 40 FJAB CCCN1CC[C@@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@H]12 306129145 HVRMBGCKDGCSBG-UKILVPOCSA-N 371.528 4.919 0 40 FJAB CC(C)CCn1ncc(NC(=O)N[C@H]2CCCc3occc32)c1C(C)C 331445277 BYUUPDBBTCJDPP-INIZCTEOSA-N 358.486 4.845 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1CC[C@H](c2cccs2)C1 820262096 KSTDWBUUMJASRA-JTQLQIEISA-N 370.699 4.794 0 40 FJAB O=C(NCc1ccc(Oc2cccc3ccccc23)cc1)c1ccc(O)nc1 1568018238 XJQHTBWRSYLUPE-UHFFFAOYSA-N 370.408 4.663 0 40 FJAB COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C)sc3nc2c1 1223614 LZOMWKZMGXIRSW-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB Cc1ccc(C)c(CSc2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)c1 2380172 MWJUXGZLMGUAOP-ZDUSSCGKSA-N 363.483 4.564 0 40 FJAB COc1cc(/C=C/C(=O)Nc2cccc(SC)c2)ccc1OC(F)F 2657632 JARPGEYFAAMCKN-VQHVLOKHSA-N 365.401 4.670 0 40 FJAB COC(=O)c1sc2cc(NC(=O)c3ccc(C)cc3)ccc2c1Cl 2793676 VZWIDRDOUPNVFR-UHFFFAOYSA-N 359.834 4.902 0 40 FJAB Cc1sc2ncnc(Sc3nnc4sc5ccccc5n34)c2c1C 3243759 SBQQBLGWQCEUEF-UHFFFAOYSA-N 369.500 4.717 0 40 FJAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)c2ccccc2)cc1 4103699 UPMZVTJJGNOHFR-HSZRJFAPSA-N 370.452 4.995 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4616452 GXDPAPCKGJEFRQ-AWEZNQCLSA-N 370.880 4.629 0 40 FJAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c(O)c1 5248539 FMGIPMRSROEOBZ-UHFFFAOYSA-N 373.250 4.919 0 40 FJAB CCN(CC)CCNc1nc(-c2ccccc2)nc2c1oc1ccccc12 5254410 RKDOXFLBBGUGOM-UHFFFAOYSA-N 360.461 4.797 0 40 FJAB O=NN(C1CCCCC1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 5279838 DNDCAXHLEYVGFX-CTNGQTDRSA-N 350.418 4.688 0 40 FJAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccccc1F 5478308 PUALGUXDOCWWSM-UHFFFAOYSA-N 357.454 4.617 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1sc2ccccc2c1Cl 5483345 AUGQGIIBFUMGKU-AWEZNQCLSA-N 374.893 4.715 0 40 FJAB CCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 6325802 MHBIAPDOSWSXOU-GZTJUZNOSA-N 373.861 4.975 0 40 FJAB Cc1ccc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)cn2c1 7488220 GVZJBTLIRXJQQF-MRXNPFEDSA-N 362.502 4.632 0 40 FJAB Clc1ccccc1OCCSc1nnc(C2CC2)n1-c1ccccc1 7985549 UFXQOGWQQZHHNZ-UHFFFAOYSA-N 371.893 4.969 0 40 FJAB CCN(CC)Cc1c(C)nc2ccc(OCc3ccccc3)cc2c1O 8571822 BIRSFLKKUBGHSS-UHFFFAOYSA-N 350.462 4.670 0 40 FJAB CCCSC1=NN=C2C(=N[C@@H](c3ccc(F)cc3)Nc3ccccc32)O1 8782838 WBLZWGPLLMHIJQ-KRWDZBQOSA-N 368.437 4.582 0 40 FJAB O=C(Nc1cccc2ccccc12)C1CCN(Cc2ccccc2F)CC1 9063462 FGKWDHLDHVLVJB-UHFFFAOYSA-N 362.448 4.830 0 40 FJAB C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1 11257154 PCHKSIPFTLVCKO-MRXNPFEDSA-N 369.424 4.895 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(C(=O)c2cc3ccccc3o2)cc1 12391309 XRINXVLCSTZHCL-UHFFFAOYSA-N 371.392 4.925 0 40 FJAB biogenic COc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1 12534760 NQBTZJIOPLIZIS-UHFFFAOYSA-N 362.307 4.621 0 40 FJAB CCOc1cccc2cc([C@H](C)NC(=O)c3cn(C)c4ccccc34)oc12 12537500 OJWIGPIZWIKHHX-AWEZNQCLSA-N 362.429 4.814 0 40 FJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccc(Cl)cc1 13331318 ILHNFGSLCJESGM-UHFFFAOYSA-N 372.831 4.985 0 40 FJAB C[C@@H](C(=O)N1CCSCC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13680770 DVZMHRJZADMTGO-GFCCVEGCSA-N 358.894 4.653 0 40 FJAB CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 20049086 MYVZQBUASHWXPZ-QGZVFWFLSA-N 351.874 4.980 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2C)cc1 20482058 IJHRUFMWQNBLOL-IBGZPJMESA-N 369.461 4.748 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccccc1Cl 20492696 XTWALTHCZNOGCL-IBGZPJMESA-N 359.897 4.863 0 40 FJAB Fc1cc(F)cc(-c2cc(-c3ccco3)nc3nc(-c4ccccc4)nn23)c1 20800327 SSUAHCZZSGWTGK-UHFFFAOYSA-N 374.350 4.997 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3Cl)cc(C3CC3)nc21 23131263 PBKWANSVQXMKAF-UHFFFAOYSA-N 372.831 4.934 0 40 FJAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c(Cl)cc1Cl 24992261 UGWDIRSEOJKLJU-UFBFGSQYSA-N 358.162 4.983 0 40 FJAB Cc1ccc(-n2c(S)nnc2COc2ccc(C(C)(C)C)cc2)cc1 27525615 VSVUKVPYXXCBJU-UHFFFAOYSA-N 353.491 4.741 0 40 FJAB Cc1cc(C)n(-c2ccc(Cn3c(C(F)(F)F)nc4ccccc43)cc2)n1 30573122 OZVBEDJNQZPMSY-UHFFFAOYSA-N 370.378 4.906 0 40 FJAB CN1CCC(NCC[C@@](C)(Cc2ccccc2)Cc2cccs2)CC1 31807480 PECWVECODGFOSB-QFIPXVFZSA-N 356.579 4.614 0 40 FJAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(F)cc2)ccc1O 35616387 PFCKIBXYZSZQEU-UHFFFAOYSA-N 363.392 4.907 0 40 FJAB c1ccc2sc([C@@H]3CCCN3Cc3ccc(-n4cccn4)cc3)nc2c1 37122291 YHUQJBMDOLTRRG-IBGZPJMESA-N 360.486 4.819 0 40 FJAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(Cl)cc1Cl 38510706 BHMHHNNPMKCLQV-UHFFFAOYSA-N 372.255 4.920 0 40 FJAB COc1ccc(OCCSc2nc3ccccc3n2CC(C)C)cc1 41146169 OBFLZHCKGKTTFT-UHFFFAOYSA-N 356.491 4.872 0 40 FJAB O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1ccccc1F 44224999 KXDYCWVAHBPACD-UHFFFAOYSA-N 355.394 4.784 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccccc1F 58618440 GDVIMODPOSSACT-GJZGRUSLSA-N 351.343 4.607 0 40 FJAB CC(=O)c1c(C)cc(C)c(CNc2cccc(N3CCCC3=O)c2C)c1C 63481680 VAJMSBGNEJGQLF-UHFFFAOYSA-N 364.489 4.862 0 40 FJAB C[C@@H](c1ncc(C(C)(C)C)o1)N(C)Cc1cc(Br)cs1 72311037 CJESDNSPJFEAEE-JTQLQIEISA-N 357.317 4.989 0 40 FJAB Fc1ccc(-c2nnc(CNc3ccccc3OC3CCCC3)o2)cc1 84507012 NKGFLDJRLSBTRF-UHFFFAOYSA-N 353.397 4.809 0 40 FJAB CC[C@H](c1ccccc1)c1nnc(NC(=S)Nc2ccccc2)s1 95116329 BEUXMFIDBXMSQR-OAHLLOKOSA-N 354.504 4.889 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)cc1Cl 100069378 LXWFZMOMVNLPLZ-PBWTXFEYSA-N 355.865 4.664 0 40 FJAB Cc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1 101084935 RCHNNRJIGPLKOO-QAPCUYQASA-N 373.250 4.527 0 40 FJAB Cc1ccccc1[C@@H]1CC2=Nc3ncnn3[C@@H](c3ccccc3)C2=C(O)C1 102676613 DOHOEAWCTMJOFP-IERDGZPVSA-N 356.429 4.652 0 40 FJAB O=C(Cc1cccc(Cl)c1)NCCSCc1cccc(Cl)c1 223902354 FLRXCVJTGAMBBJ-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB CC(C)Oc1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224140356 SWOCWSRWYWDHHA-INIZCTEOSA-N 353.462 4.759 0 40 FJAB S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1cccnc1 225343318 GAXCTQLVNCKQRI-UHFFFAOYSA-N 372.346 4.608 0 40 FJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225701534 KRJJWYMLALAPBQ-LIRRHRJNSA-N 371.905 4.678 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)Nc2ccccc2OC)c2ccccc2O1 225765310 MACBGPOEAZBJLE-QGZVFWFLSA-N 354.450 4.899 0 40 FJAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(C)n(C(C)C)n1 566837746 CVWYMRUXOSUPAE-UHFFFAOYSA-N 352.413 4.534 0 40 FJAB Cc1csc([C@@H]2CCCCN2C(=O)c2cnc(-c3ccco3)s2)n1 591201157 GBIVCEJKYHSEHA-LBPRGKRZSA-N 359.476 4.535 0 40 FJAB COc1cc(Nc2cc(-c3cccc(Cl)c3)ncn2)ccc1NC(C)=O 1184893413 QVDWPUFHGIXCQV-UHFFFAOYSA-N 368.824 4.508 0 40 FJAB CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)NCc1cc(-c2ccccc2)no1 1678154158 FJJZOMIGASNHJD-MJGOQNOKSA-N 369.509 4.993 0 40 FJAB Cc1ccc(CSc2nnc(NC(=O)c3cccc(C)c3)s2)cc1 702352 RLHPRPVGXGFRIM-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)c1 713028 SWGCTJLAZUPZMF-KRWDZBQOSA-N 374.440 4.653 0 40 FJAB Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)cc1 850261 VDGDUKZOVNCUQV-UHFFFAOYSA-N 373.203 4.807 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1Cl 948625 NIFGMTBLXBCSPU-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CCCc1nc(SCC(=O)Nc2cccc(C)c2C)c2ccccc2n1 1342732 ULYVIYBCLKSGBZ-UHFFFAOYSA-N 365.502 4.930 0 40 FJAB CCc1nc2sc(C(=O)Nc3ccccc3F)c(N)c2c2c1CCCC2 1472264 RPDIKFHSVBBVCO-UHFFFAOYSA-N 369.465 4.711 0 40 FJAB Cc1ccc([C@]2(CCNC(=O)c3cccs3)CCO[C@H](C(C)C)C2)cc1 2095182 LUQWEIGNVATRAC-SIKLNZKXSA-N 371.546 4.949 0 40 FJAB biogenic C[C@H](Nc1nc(Cl)nc(N[C@@H](C)c2ccccc2)n1)c1ccccc1 2298683 VUHZBRPMEFMEPF-KBPBESRZSA-N 353.857 4.871 0 40 FJAB CCOc1ccccc1Nc1nnc(SCc2cccc(OC)c2)s1 2645682 DRNYKPYHCHVKIP-UHFFFAOYSA-N 373.503 4.981 0 40 FJAB Cc1ccc(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c(C)c1 3051553 CMPLWSHPCHSNKL-AWEZNQCLSA-N 351.705 4.574 0 40 FJAB CC(C)c1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 4199184 MHBFJIBZKUMFGB-UHFFFAOYSA-N 351.431 4.538 0 40 FJAB CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)nc2ncccn12 4734159 OHPRSMYNMNTEQN-UHFFFAOYSA-N 374.444 4.725 0 40 FJAB O=c1cc(-c2ccccc2)nc(SCc2cccc(C(F)(F)F)c2)[nH]1 5154887 QYBHMTIVJHKXLH-UHFFFAOYSA-N 362.376 4.748 0 40 FJAB CCN(CC)CCCNCC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1 5347780 WIXKOACSCLQHFO-PKTZIBPZSA-N 374.613 4.995 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 5577900 ZMFQDLNBIDVPIV-NSHDSACASA-N 368.658 4.817 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6400923 NFRWKNQHOJRXNB-UHFFFAOYSA-N 361.441 4.846 0 40 FJAB Cc1ccccc1NCc1ccc(C(=O)OCC(=O)c2cccs2)cc1 6969270 HHVIQTBNXXUSFO-UHFFFAOYSA-N 365.454 4.708 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 8156647 NXLPTQVVIAJSFH-HXUWFJFHSA-N 370.880 4.663 0 40 FJAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c1 9275096 TUDXLIGFLHMBOS-UHFFFAOYSA-N 368.245 4.974 0 40 FJAB Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 9593975 WJIMEKSRWUURRF-SFHVURJKSA-N 352.434 4.525 0 40 FJAB CCOc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccccc1F 11801182 QRKJHJYHCWNTQQ-BQYQJAHWSA-N 350.773 4.555 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)SCc2cccc(C(F)(F)F)c2)cc1 13017915 UBINSRVHSVOIJK-GFCCVEGCSA-N 369.408 4.974 0 40 FJAB COc1ccccc1-c1nc(-c2ccc3c(c2)CCN3C(C)=O)c(C)s1 14103284 FRDJGPGIJIFWSM-UHFFFAOYSA-N 364.470 4.703 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)OCCOc1cccc(Cl)c1 15043360 RONIQHKUFLXNHU-UHFFFAOYSA-N 357.793 4.539 0 40 FJAB CC1(C)CC(=O)CC(C)(C)C1NC(=O)Nc1ccc(Cl)c(Cl)c1 16577689 LVZNQRZKFXMZSJ-UHFFFAOYSA-N 357.281 4.899 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc2c1 17295884 YHDIHRJQTYOPLQ-INIZCTEOSA-N 372.468 4.792 0 40 FJAB Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1Br 19934145 HUWGLYLITICWMP-NSHDSACASA-N 368.658 4.817 0 40 FJAB CC(C)c1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 20034601 HWWLNIFRCJISEL-UHFFFAOYSA-N 371.249 4.842 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)ns2)cc1 27793721 GJAPQYRMONDCLK-UHFFFAOYSA-N 367.474 4.520 0 40 FJAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccsc2)cc1C 29700014 JHQLKZMAOOUQPJ-UHFFFAOYSA-N 363.482 4.868 0 40 FJAB CC(C)(C)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 32768062 JRKJZNSHAWTXKH-UHFFFAOYSA-N 355.463 4.667 0 40 FJAB Cc1ccc(CSCC(=O)Nc2ccccc2Br)cc1 36770097 FPUUPIBHVFAUCE-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1 40132926 VZRPRXBZJJYBRT-OAHLLOKOSA-N 365.864 4.892 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2)c1 41008068 WEMHTIUVHSWJMZ-SFHVURJKSA-N 371.546 4.935 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 44885855 FJOBMIFPGDXOBD-AUSIDOKSSA-N 359.469 4.977 0 40 FJAB O=C(CCSc1ccccc1)Nc1cccc2ccc(-n3ccnc3)nc12 49028082 FCTPRNNEKUZISI-UHFFFAOYSA-N 374.469 4.541 0 40 FJAB Cc1nc(NCc2ccccc2)sc1C(=O)NCc1ccccc1Cl 49403764 ZFFIBZVXZGXJQA-UHFFFAOYSA-N 371.893 4.647 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(OC)cc1 59351968 LLJSXXDFDXBUDN-KSFYIVLOSA-N 363.457 4.883 0 40 FJAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348612 RUVUHBVDADGNPU-FQEVSTJZSA-N 372.468 4.777 0 40 FJAB CCC(CC)C(=O)N1CCCC[C@@H]1c1nc(C)ncc1-c1onc(C)c1C 72390729 DTKNBWXQERQCAC-GOSISDBHSA-N 370.497 4.547 0 40 FJAB CSc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72406379 VFYIZGFGWLPVPR-OAHLLOKOSA-N 355.488 4.838 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CCS[C@@H](c2cccs2)CC1 219466270 CPJMQBXEWBYOEW-OAHLLOKOSA-N 360.529 4.678 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc2c(c1)CCCC2 223095731 ZBIOUWKQRWTDRX-UTKZUKDTSA-N 351.490 4.909 0 40 FJAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2F)ccc1Br 223267678 FUAIRZJPGHZZQQ-UHFFFAOYSA-N 356.622 4.731 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224255911 BIHAVOOEOLHTRB-PMACEKPBSA-N 363.486 4.777 0 40 FJAB COCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 224402656 QRXCCJSGNCENKM-UHFFFAOYSA-N 373.758 4.766 0 40 FJAB CCOc1ccc(C(=O)NCc2ccco2)cc1CSc1ccccc1 224650076 QPRJTMPKQAOUDQ-UHFFFAOYSA-N 367.470 4.901 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224916502 KJTJLQLCOBBCDB-KRWDZBQOSA-N 366.505 4.990 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224969395 GCZJRBIELNNARB-OAQYLSRUSA-N 352.478 4.781 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1OCC 225651700 YBVKKAYUUFILID-KRWDZBQOSA-N 355.478 4.900 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 225717791 XEKUOCHQSGODQR-KRWDZBQOSA-N 358.507 4.758 0 40 FJAB CC(C)Oc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225867732 BKIGPOUNZAVWRF-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc(C(F)(F)F)nc1 390827001 RXGLIUWWLKXDMW-CQSZACIVSA-N 368.405 4.743 0 40 FJAB O=C(Oc1ccc(-c2ccccc2)nn1)C(c1ccccc1)c1ccccc1 408529675 NQQAZNFUDMKDMX-UHFFFAOYSA-N 366.420 4.881 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3cccc(F)c3)sc1CC2 409052566 IPHPVOWLJKKNOZ-UHFFFAOYSA-N 368.433 4.617 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(F)cc1 409197451 FTFKKEHUMHXMCP-QOCHGBHMSA-N 374.868 4.850 0 40 FJAB C[C@@H](Cc1cncc2ccccc12)C(=O)NCC1CC(c2ccccc2)C1 561637383 XKIOICAEEVFQJV-XPQZIERPSA-N 358.485 4.723 0 40 FJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4cccs4)cc3cc21 575473128 HSAHFIABYGXYJG-UHFFFAOYSA-N 365.454 4.717 0 40 FJAB CN(C)c1cccc(CCC(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1292607993 LNLACHUXKYNCDR-BPBCIEFSSA-N 354.538 4.503 0 40 FJAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1 812431 RRZSHVNNRIXKIU-UHFFFAOYSA-N 353.765 4.721 0 40 FJAB S=c1oc(-c2ccccc2)nn1CNc1ccccc1Br 825402 BNPNEPRBPYIBRK-UHFFFAOYSA-N 362.252 4.705 0 40 FJAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N(C)C2CCCCC2)cc1 883923 OJLXWMMIYKCGBJ-NRFANRHFSA-N 367.541 4.841 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1cc(Br)cnc1Cl 2243816 QCGKNVLTMZSQLB-UHFFFAOYSA-N 361.026 4.795 0 40 FJAB COCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2406413 KGXZGXUYHCJKPE-UHFFFAOYSA-N 374.488 4.981 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2748199 YMCQADHRHUMLJY-OAHLLOKOSA-N 374.440 4.645 0 40 FJAB CC[C@H]1CN=C(N(C(=O)c2ccc(Cl)cc2)c2cccc(OC)c2)S1 3228266 YDGMFPTUEFAPBZ-KRWDZBQOSA-N 374.893 4.877 0 40 FJAB O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1c(F)cccc1F 3323085 WIQQMWCXAVHRJL-UHFFFAOYSA-N 366.411 4.606 0 40 FJAB Cc1ccc(-c2ccc(OC(=O)[C@H]3COc4ccccc4O3)c(C)c2)cc1 3331986 AWNNMDORHINUSZ-JOCHJYFZSA-N 360.409 4.716 0 40 FJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1c[nH]c2ccccc12 3351295 SXSKMKGRLZQQOC-UHFFFAOYSA-N 374.469 4.601 0 40 FJAB Cc1cccc(N2C(=O)S[C@H](Nc3cccc(C(F)(F)F)c3)C2=O)c1 3647943 FRKWUVIYAMPSHY-AWEZNQCLSA-N 366.364 4.652 0 40 FJAB Cc1ccc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccccc3F)C2)cc1 4131489 NIQVEUBCYHOSRD-NRFANRHFSA-N 359.404 4.521 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(S)n1-c1ccccc1Cl 5029760 AVIUBFYZEGCWIQ-UHFFFAOYSA-N 368.849 4.840 0 40 FJAB COc1ccccc1CSc1nnc(C2CC2)n1Cc1ccccc1 6532087 YYDYLMPWDGZEQH-UHFFFAOYSA-N 351.475 4.505 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 6656187 FLJKJABXTPQJRU-LDADJPATSA-N 354.475 4.600 0 40 FJAB CCOc1ccc(CNC(=S)Nc2ccc(C)cc2C)cc1OCC 6935370 ROCZJCKGDBZNPV-UHFFFAOYSA-N 358.507 4.587 0 40 FJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1cccc(Cl)c1 8395729 JTBHZEOMIOXDLA-SNVBAGLBSA-N 362.813 4.893 0 40 FJAB Cc1ccnc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 8707094 GNHAEVPINRYVTG-UHFFFAOYSA-N 350.805 4.527 0 40 FJAB CC1(C)COc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2NC1=O 8959909 SRZNQTJWJVGXMC-UHFFFAOYSA-N 366.461 4.594 0 40 FJAB CCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cc(C)ccc3nc21 9109377 CDGMSTMULGTQCI-UHFFFAOYSA-N 362.408 4.694 0 40 FJAB COc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(C)cs2)cc1 9305318 YFNMQRQDHKGQMY-INIZCTEOSA-N 355.488 4.877 0 40 FJAB Cc1ccc(Cn2c(CO)cnc2SCc2cc(C)ccc2C)cc1 9529054 GRTCMYMQBXRMDU-UHFFFAOYSA-N 352.503 4.641 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1c(F)cccc1F 12817282 RCOTVZXYVVTYRG-UHFFFAOYSA-N 356.397 4.829 0 40 FJAB O=Cc1ccc(Oc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 12847784 QXPHNUNMSKGKAL-UHFFFAOYSA-N 350.321 4.829 0 40 FJAB Fc1ccc(-c2noc(CN[C@H](c3ccccc3)c3cccs3)n2)cc1 14164136 JXETVRCIDFIOCU-LJQANCHMSA-N 365.433 4.816 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)cc1 14609635 WBSXWBCBOBKGLX-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(C(=O)Cn2cc(-c3ccc(Cl)cc3)[n+]3c2CCC3)cc1C 16956689 ZKJHRTXINALLQH-UHFFFAOYSA-N 365.884 4.542 0 40 FJAB CCCCC(=O)Nc1nn(CCCC)c2nc3ccc(OC)cc3cc12 17207118 JTGFIPVMRLDQNC-UHFFFAOYSA-N 354.454 4.522 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 18945655 JGGSZKPSXUHZKK-UHFFFAOYSA-N 363.461 4.741 0 40 FJAB Cc1csc([C@@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@H](C)O3)n1 19240239 CYHJYUDJHSLAKL-KBXCAEBGSA-N 370.543 4.910 0 40 FJAB Cc1ncc(CN2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)s1 19715798 SSUFKWBBKPVXKR-INIZCTEOSA-N 354.523 4.762 0 40 FJAB COc1ccccc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 19831568 PHVLTBORIWSJKL-UHFFFAOYSA-N 364.533 4.539 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Br 20110762 DBFKAKQFIYNDPZ-AWEZNQCLSA-N 368.658 4.899 0 40 FJAB COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)cc1 20672066 KQMVLEVNFFJKGJ-UHFFFAOYSA-N 361.445 4.780 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2cc3ccccc3o2)on1 23127281 JBJHAYZEANIEBK-CQSZACIVSA-N 358.397 4.608 0 40 FJAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCC2)oc2ccccc12 27664677 NWJUAOXOETWRNM-QGZVFWFLSA-N 368.502 4.760 0 40 FJAB C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 30859167 REUQJQFCFDSJJF-HNNXBMFYSA-N 371.433 4.658 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(OC(C)C)c1 30871737 RHTMPQOEXBFBIA-HXUWFJFHSA-N 355.478 4.564 0 40 FJAB CCCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 32099058 JLQPLDXCKOKHOY-OAHLLOKOSA-N 367.445 4.559 0 40 FJAB O=C1N=C(Nc2ccc(C(=O)O)cc2)/C(=C/c2ccc(Cl)cc2)S1 32597722 CGIPFMKUGMSDAN-ZROIWOOFSA-N 358.806 4.757 0 40 FJAB O=C(CCC1CCCC1)Nc1cnn(COc2ccc(F)cc2Cl)c1 32609894 NPVBHZHKPGAXDC-UHFFFAOYSA-N 365.836 4.621 0 40 FJAB CCc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 32935063 JHDVMMRMCYLMTD-LJQANCHMSA-N 371.278 4.709 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2Cl)c1 36358890 YDSDUBFSJKOLPL-HNNXBMFYSA-N 353.809 4.658 0 40 FJAB OC1=Nc2c(ncn2-c2ccc(C(F)(F)F)cc2)[C@H](c2cccc(O)c2)C1 36365404 MRWKGWAEQPGPCV-HNNXBMFYSA-N 373.334 4.720 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)cs1 38488723 SDTPFMHMCULXGE-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB O=C(Nc1cccc(Oc2ncccn2)c1)N1CCC[C@H]1c1ccsc1 40105554 MHZORPOZMJZJQU-KRWDZBQOSA-N 366.446 4.699 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 58154275 COULADBZQCWXOY-AWEZNQCLSA-N 373.884 4.705 0 40 FJAB O=C1CN(C(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2N1 58189510 KSPMGFWOLUBVPY-UHFFFAOYSA-N 374.465 4.578 0 40 FJAB Cc1ccc2nc3c(c(C(=O)O)c2c1)CCC/C3=C/c1cnn(C(C)C)c1 95958510 UDVIYINSTWGFNU-YBEGLDIGSA-N 361.445 4.896 0 40 FJAB CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1C 96003056 DRBMWKLULKXLMY-JKIKYLSZSA-N 363.461 4.663 0 40 FJAB COc1ccccc1N1C(=S)N[C@H]2c3cc(Cl)ccc3O[C@@]1(C)[C@H]2C 101390540 NVNWYUCFWJAKQD-JVMOKEISSA-N 374.893 4.529 0 40 FJAB COC(=O)c1ccc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1 206876876 VYVZXERLLYEZFZ-SFHVURJKSA-N 371.864 4.537 0 40 FJAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222995278 USFXPJYPPGGSGF-QGZVFWFLSA-N 351.490 4.945 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1Cl 225216933 VOSLSHVGDKAIOI-UHFFFAOYSA-N 374.868 4.519 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)c1 225219860 JBOHGNJKCPWCFF-MOPGFXCFSA-N 369.505 4.778 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 225595792 MKDLUSCLDWFFCQ-UHFFFAOYSA-N 357.759 4.857 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1 244909626 ANPSQFMUUBULGJ-FPOVZHCZSA-N 362.454 4.999 0 40 FJAB CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(C)cc1 408560534 DDDYIEJKJYPZSL-VXPUYCOJSA-N 356.516 4.910 0 40 FJAB COc1ccc([C@@H](NCc2nnc(C)s2)c2ccccc2Cl)c(C)c1 539095249 UEUQKUMDCCVEPG-LJQANCHMSA-N 373.909 4.696 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615120641 LVMFWQOGWHZWMF-HSZRJFAPSA-N 366.480 4.798 0 40 FJAB CCc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1CC 1653530414 JMSKZELFHTVSIS-HNNXBMFYSA-N 371.502 4.939 0 40 FJAB CC(C)c1ccc2ncnc(NC3CC4(CCC(C(=O)O)CC4)C3)c2c1 1776376123 OWBLVYHFYKMPGA-UHFFFAOYSA-N 353.466 4.589 0 40 FJAB Cc1cc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c(C)o1 1888897674 ADKJJBBILURBPL-UHFFFAOYSA-N 369.852 4.513 0 40 FJAB O=c1[nH]c(SCc2ccccc2Cl)nc2sc3c(c12)CCCC3 1972989 XIRASFKOVWUUIR-UHFFFAOYSA-N 362.907 4.809 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc1 2069710 SBBLEUZQVOVFGX-UHFFFAOYSA-N 362.491 4.755 0 40 FJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(F)c1)CO3 2120850 POWKCJHXBBRKAU-UHFFFAOYSA-N 373.383 4.956 0 40 FJAB biogenic Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 3187126 GDNYKQYTYNBQOX-UHFFFAOYSA-N 354.335 4.810 0 40 FJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1F 4176310 QNDLCQVXHHEICT-UHFFFAOYSA-N 355.419 4.811 0 40 FJAB Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccccc3)nc12 4678200 LOQJDEAPYPEUGK-UHFFFAOYSA-N 352.235 4.769 0 40 FJAB C[C@H](CNC1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 5047608 QIPMPDREAVIMPZ-GOSISDBHSA-N 351.490 4.673 0 40 FJAB c1ccc(-c2nc(CSc3nnc4[nH]c5ccccc5n34)cs2)cc1 5905922 RFVWVAAQWYJGHX-UHFFFAOYSA-N 363.471 4.626 0 40 FJAB O=C(OCCOc1ccccc1Cl)c1c2c(nc3ccccc13)CCC2 6085934 SHXZIFCLKBQVBH-UHFFFAOYSA-N 367.832 4.613 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1Cl 6152730 PKLLYWQFIDZADL-LLVKDONJSA-N 368.658 4.817 0 40 FJAB COc1ccccc1NC(=O)c1ccccc1OCc1ccc(F)cc1 7698941 NIXYRWLULQSHGU-UHFFFAOYSA-N 351.377 4.666 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 8021214 ZRKZLDZQFBTCAE-GHMZBOCLSA-N 368.260 4.811 0 40 FJAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 9723973 QJFGLSJDILNPOJ-CYBMUJFWSA-N 356.472 4.538 0 40 FJAB Cc1nc2cc(NC(=O)CCCSc3nc4ccccc4[nH]3)ccc2o1 9835019 CXWDEVHHJLOMHZ-UHFFFAOYSA-N 366.446 4.524 0 40 FJAB CCCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 12441859 OQZTVJOVYUTTQX-UHFFFAOYSA-N 354.479 4.741 0 40 FJAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)ccc1OC(C)C 12807120 MJWAJTLALXZFBJ-ABDJAZHISA-N 353.462 4.715 0 40 FJAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C 14405432 VBZSIURMNSCHOC-UHFFFAOYSA-N 370.497 4.537 0 40 FJAB CC(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 14673850 XTKOEDNEMKULES-UHFFFAOYSA-N 364.376 4.829 0 40 FJAB CC1=NN(c2ccc(NC(=O)Nc3cccc4ccccc34)cc2)C(=O)C1 16607322 FYDVPQNLRZMJNZ-UHFFFAOYSA-N 358.401 4.596 0 40 FJAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Cl 20142268 HBIKXVQWPDLOSJ-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nnc(C2CC2)s1 21292497 MTVRQOOYTPBSQO-UHFFFAOYSA-N 374.469 4.676 0 40 FJAB CCOc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 21935208 YYMPFOKUFGJEQX-UHFFFAOYSA-N 369.424 4.948 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1Cl 22458393 FNYKDGFBMKUSLN-UHFFFAOYSA-N 365.776 4.902 0 40 FJAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccn1 22920126 FDUQBILLDURWEG-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1ccc(Cn2cnc3c(-c4cccc(F)c4)csc3c2=O)cc1 23126021 HJZTUGAQRZEMNV-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB c1coc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)c1 24258962 JCKWUSWCYGAIIB-CQSZACIVSA-N 366.446 4.667 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccc(F)cc1 27582757 UQLPIZBHSTYUDB-HXUWFJFHSA-N 374.887 4.826 0 40 FJAB C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2OC(=O)c2ccccc2)N1C 33688663 WESAJBQBYCQVNO-NLSFWIRASA-N 373.452 4.996 0 40 FJAB biogenic COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1 35156291 PGAGWMIJRHMWDJ-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB CCN1C/C(=C/c2ccc(C)cc2)c2nc3ccccc3c(C(=O)O)c2C1 35239953 BLCSJJXXFRIBHE-ATVHPVEESA-N 358.441 4.618 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38834372 GDYFBRAVZAKHFJ-UHFFFAOYSA-N 352.478 4.714 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)c3cnc(N)c(Cl)c3)ccc21 58418941 GLPMPZBJNWGDKI-UHFFFAOYSA-N 364.836 4.697 0 40 FJAB O=C(NC[C@H](O)c1cccc2ccccc12)Nc1ccccc1C(F)(F)F 70636311 IRJPMVZJLRWBDP-SFHVURJKSA-N 374.362 4.714 0 40 FJAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1nc(C(C)(C)C)cs1 71288736 INZOPRMZXOBPOE-UHFFFAOYSA-N 358.492 4.520 0 40 FJAB Cc1nc(COc2ccc(C(=O)N(C)C)cc2)oc1-c1ccc(Cl)cc1 79104333 SCSJBZAVNOOORP-UHFFFAOYSA-N 370.836 4.584 0 40 FJAB Cc1ccc(Oc2cc(CNc3nccc(C(F)(F)F)n3)ccn2)cc1C 84180767 BPLQNCZHYXQBIX-UHFFFAOYSA-N 374.366 4.912 0 40 FJAB CN(C(=O)Nc1nc2ccccc2s1)[C@@H](c1ccccc1)c1ccccn1 89310297 QPLZYBZZGDHNHT-IBGZPJMESA-N 374.469 4.945 0 40 FJAB CN(c1ccccc1)c1ccc2ccc(C(=O)NCc3ccsc3)cn12 96146186 FBXQQHVHUHUWDU-UHFFFAOYSA-N 361.470 4.699 0 40 FJAB CCOc1ccc(CCC(=O)Nc2ccccc2SC)cc1OCC 216412275 OYKKWDVJGYZECG-UHFFFAOYSA-N 359.491 4.777 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 219545074 FZFPASAEEWRSSN-SFHVURJKSA-N 373.452 4.940 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1C 225715385 RZVCRPLBCCVXMZ-GOSISDBHSA-N 370.518 4.836 0 40 FJAB C[C@H](C(=O)Nc1cccc2ccccc12)N1C(=O)c2cccc3cccc1c23 408548781 VASSBWRWFKPCJP-OAHLLOKOSA-N 366.420 4.980 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC1CCCCC1 408703618 UQWFTSYBNIAVHM-INIZCTEOSA-N 363.567 4.934 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409019085 YAHOTEVDLJAQPW-BRFSQIRFSA-N 354.475 4.929 0 40 FJAB CCCN1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643575939 SSQFOZCYHOGWGM-UHFFFAOYSA-N 367.489 4.750 0 40 FJAB CCN(C[C@@H](C)OC)c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 1307125404 PVCXAYHXWPKPLE-CQSZACIVSA-N 359.901 4.537 0 40 FJAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)CC2 1537981538 QSCXROJGUYDPPY-QFIPXVFZSA-N 373.500 4.552 0 40 FJAB COc1ccc2nc(C)cc(SCC(=O)Nc3cccc(Cl)c3)c2c1 887567 OMPBAQCAJSVNEY-UHFFFAOYSA-N 372.877 4.936 0 40 FJAB Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4)c3C2=O)cc1 1405564 LMKSWDHPQDRSKU-UHFFFAOYSA-N 374.465 4.791 0 40 FJAB O=C(Nc1ccccc1)Oc1ccc(Br)cc1Br 1722764 AKYQJEAWUAJHBV-UHFFFAOYSA-N 371.028 4.823 0 40 FJAB CCOc1ccc([C@H](NC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 2296841 ZMCMCPJYQRADAW-JOCHJYFZSA-N 361.441 4.613 0 40 FJAB COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccccc2)n1 2380492 QIHMZAMHJASXFU-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O 2768325 SFQBEJDTUKUHNX-AWEZNQCLSA-N 371.868 4.562 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNc2ccc(C)c(C)c2)CCCC1 3648928 BXPYUGIBDIPYKU-FQEVSTJZSA-N 362.517 4.918 0 40 FJAB Cc1cccc(CSC2=NCCN2C(=O)c2c(F)cccc2Cl)c1 4120211 AMCXGQKPCBUPAF-UHFFFAOYSA-N 362.857 4.533 0 40 FJAB CCc1sc(NC(=O)c2cc(OC)cc(OC)c2)nc1-c1ccccc1 4723574 NBDBBNCZHNQJNR-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 4926137 NLRLCRYSBPVMGH-UHFFFAOYSA-N 367.474 4.647 0 40 FJAB COc1ccccc1C(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 5635000 OIUDCOOVJFFWQM-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB Cc1ccc(F)cc1NC(=O)CSc1ccc(Br)cc1C 6548362 JFTDSLFHERPNDQ-UHFFFAOYSA-N 368.271 4.936 0 40 FJAB CCCN1C(SCc2cc(C)ccc2C)=NS(=O)(=O)c2ccccc21 6918615 QSXAPUWTEDPARA-UHFFFAOYSA-N 374.531 4.512 0 40 FJAB CCCOc1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1OCCC 7285192 SYKBWUPNRWQNHM-UHFFFAOYSA-N 361.413 4.664 0 40 FJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 7979423 TVPWTRLIZURLGP-UHFFFAOYSA-N 370.246 4.981 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1OCCC(C)C 8072551 UABPPXNMZGKIBY-UHFFFAOYSA-N 368.477 4.504 0 40 FJAB c1ccc(-c2cc3c(Sc4nnc(C5CC5)o4)ncnc3s2)cc1 8076327 ACZVGZBRZUTNLO-UHFFFAOYSA-N 352.444 4.770 0 40 FJAB O=C(CN(C1=NCCCC1)c1ccc(Br)cc1)c1ccccc1 8435926 HIFQLNGUUWGRPS-UHFFFAOYSA-N 371.278 4.721 0 40 FJAB CC(C)[C@H](Nc1ncnc2sccc12)c1ccc2c(c1)OCCCO2 9365082 IYQRYIJQNLODNV-KRWDZBQOSA-N 355.463 4.662 0 40 FJAB C[C@@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1 9467514 OWNGVZAFGPRPBY-CJNGLKHVSA-N 350.443 4.540 0 40 FJAB Cc1nn([C@@H](C)CC(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1C 12195980 OLZSULHEBMBACH-ZDUSSCGKSA-N 364.493 4.758 0 40 FJAB O=C1CCCN1c1ccc(CNC2(c3ccccc3F)CCCC2)cc1 12292755 RBRBJICVUAFWLZ-UHFFFAOYSA-N 352.453 4.512 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3)c3ccccc3C2=O)c(C)c1 12651999 BDLAZNBZNQNWIL-RCCKNPSSSA-N 368.436 4.943 0 40 FJAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(F)cc1F 12897083 MDWGEKFZEDLGQW-CYBMUJFWSA-N 367.399 4.519 0 40 FJAB O=C(Cc1cccc(F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 12980281 BYSJANYBZMMUJJ-UHFFFAOYSA-N 363.392 4.651 0 40 FJAB CC[C@@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccccc1 13015742 IYSBCQQMZVRADF-HXUWFJFHSA-N 359.425 4.513 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)/N=c3\[nH]c4ccccc4s3)s2)cc1 13693530 PHEJJUOUQBDFBF-UHFFFAOYSA-N 365.483 4.711 0 40 FJAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCSc2ccc(F)cc21 14185637 XCNRUMLDCPWMQP-OAHLLOKOSA-N 353.821 4.514 0 40 FJAB Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](C)CCc2ccccc2)s1 15581517 OSFUBUQZOWBVAT-HNNXBMFYSA-N 350.487 4.870 0 40 FJAB COc1cccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)c1 15729334 UHERJWXRGDMXDT-UHFFFAOYSA-N 365.429 4.965 0 40 FJAB biogenic CC(C)c1csc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)n1 19718209 KNMAFEILYURQIL-UHFFFAOYSA-N 373.865 4.528 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20042170 XQGXKDYKQSOXHU-UHFFFAOYSA-N 352.478 4.570 0 40 FJAB Cc1ccc([C@H](NS(=O)(=O)Cc2cccc(C)c2)c2ccccc2)cc1 20111176 RUIUBLNHJATGGK-JOCHJYFZSA-N 365.498 4.512 0 40 FJAB CC(=O)Nc1ccc(CC(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 23299390 WJWMZDABQOSMOK-UHFFFAOYSA-N 359.853 4.878 0 40 FJAB CCOC(=O)C1=C(NCc2ccccc2)c2ccccc2CC12CCCC2 23485278 ZGXBDSRCBLXWTI-UHFFFAOYSA-N 361.485 4.867 0 40 FJAB O=C(CSc1ccccc1)Nc1ccc(Br)c2cccnc12 27930233 PINOHCSRFNRJIC-UHFFFAOYSA-N 373.275 4.728 0 40 FJAB CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 31904002 SSVRDOMKDFMUHL-UHFFFAOYSA-N 368.326 4.593 0 40 FJAB COc1ccc(C)cc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1 40032437 PQYUORLEUHZTEX-UHFFFAOYSA-N 363.339 4.685 0 40 FJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(OC(F)F)cc1 40059890 DVGQSIAVZZNWQU-JTQLQIEISA-N 359.294 4.798 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 44912825 SVAWLAPZEJNREM-QFBILLFUSA-N 368.908 4.530 0 40 FJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 56302265 PNWNGKCPEXOMHS-QGZVFWFLSA-N 353.462 4.551 0 40 FJAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 57477258 RCSDSGRVORPHSD-UHFFFAOYSA-N 360.244 4.622 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)nc1 67296414 RNROSUPHXFQJSD-GYHWCHFESA-N 355.397 4.621 0 40 FJAB COc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1-c1ccccc1 83962594 YWWGRHHFLPZLEX-PZJWPPBQSA-N 361.416 4.787 0 40 FJAB O=C(NC1CCCC1)N[C@@H](c1ccc(Br)cc1)C1CCC1 84392680 MFYWIFKJFDQLIY-MRXNPFEDSA-N 351.288 4.532 0 40 FJAB CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 96171070 HEKLTTUSJMSHHA-UHFFFAOYSA-N 372.259 4.512 0 40 FJAB O=C(N[C@@H]1CCSc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102502742 XIDJFIODDDAPIF-ZTZSKLLQSA-N 361.938 4.918 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OC(C)C 219745113 BPLONEZKHTXWNH-SFHVURJKSA-N 369.461 4.515 0 40 FJAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223132860 HMGSVGWWTNSYDG-NRFANRHFSA-N 351.490 4.692 0 40 FJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 223563485 FGICTIWPTBTFLF-XMMPIXPASA-N 359.469 4.760 0 40 FJAB Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(C)o3)cn2)cc1 223908063 IFZBSVIMVQCIOI-UHFFFAOYSA-N 352.463 4.522 0 40 FJAB CC(C)Sc1nnc(NC(=O)CSCc2ccccc2Cl)s1 224137094 JMNLYBSIWOYAEP-UHFFFAOYSA-N 373.956 4.564 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C 225517626 WAIKXGWRWQHENS-LJQANCHMSA-N 351.490 4.699 0 40 FJAB Cc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C 225699249 MKTQMZBOMOXMNX-UHFFFAOYSA-N 363.432 4.952 0 40 FJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)c(C)c1 225710835 CWGCYGHQHVZBLG-SFHVURJKSA-N 370.518 4.836 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Cl)oc2c1 226271034 RGGGERWASTZZLL-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(C(C)(C)C)cc1 226288638 JZPGFQZTQIEVBJ-UHFFFAOYSA-N 374.502 4.567 0 40 FJAB Cc1ccc(NC(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)cc1 227164020 JOTVJGFTBZNBEO-UHFFFAOYSA-N 353.853 4.931 0 40 FJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1Br 390830810 NOUXGROGQYOFGW-GFCCVEGCSA-N 358.235 4.556 0 40 FJAB O=C(CC1CCC(c2ccccc2)CC1)Nc1cc2oc(O)nc2cc1F 1640207497 DLCZRHMUEWYBDL-UHFFFAOYSA-N 368.408 4.975 0 40 FJAB CN1CCC[C@@H]1c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2c1 2037845754 KCJBOFDYEOUGIH-MRXNPFEDSA-N 361.367 4.667 0 40 FJAB CCn1c(CNc2ccc(F)cc2)nnc1SCc1ccc(C)cc1 873166 FJFBXOVZXGTEIY-UHFFFAOYSA-N 356.470 4.650 0 40 FJAB Cc1ccc(N2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)cc1 975132 ZWIGUFBIZUSNLM-GDNBJRDFSA-N 374.259 4.998 0 40 FJAB Cc1nc2ccccc2nc(C)c1=NOCc1ccc(Cl)c(Cl)c1 1070727 WYWYOMWDWVMSCO-UHFFFAOYSA-N 360.244 4.586 0 40 FJAB Cc1ccc(OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1085139 XPZZUUONTOJMOI-UHFFFAOYSA-N 352.217 4.626 0 40 FJAB CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccco1 1377698 USTOUUZXGBUVQB-RTBURBONSA-N 367.493 4.549 0 40 FJAB CCOC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 2311171 JSOKAICWJNVDPT-UHFFFAOYSA-N 373.408 4.740 0 40 FJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3c2oc2ccccc23)c1 2400123 UTCHUTBOSZSYJP-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)c(C)c1 4479453 GGCAAULETRPJON-UHFFFAOYSA-N 361.323 4.625 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 4740528 QRPQQFRDANYVNX-UHFFFAOYSA-N 371.889 4.549 0 40 FJAB CC(C)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4863541 PVZNLPHFBBFJJT-UHFFFAOYSA-N 355.478 4.508 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCC(=O)c1cccs1 5033325 MBBWLKFMCHRODT-UHFFFAOYSA-N 359.834 4.583 0 40 FJAB C[C@@H](CCc1cn(C)c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 5274528 CEMLUEHDQJJSMV-RNXZQOMOSA-N 364.533 4.832 0 40 FJAB Cc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1 5560716 NMSHIOMNMPWPOK-UHFFFAOYSA-N 369.468 4.883 0 40 FJAB COC(=O)c1sccc1NC(=O)CC(c1ccccc1)c1ccccc1 6126195 PTWUECCKIXMTAV-UHFFFAOYSA-N 365.454 4.695 0 40 FJAB CCCn1c(SCC(=O)NC2CCCCCCC2)nc2ccccc21 6313798 YOJIJXVPDFEARY-UHFFFAOYSA-N 359.539 4.768 0 40 FJAB CC(C)CN1C(=O)S[C@@H](Cc2ccccc2OCc2ccccc2)C1=O 6326092 CSFISHPTMPYAOO-IBGZPJMESA-N 369.486 4.528 0 40 FJAB CCOc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)cc1OCC 6935343 GKAMZRRQQYVOPZ-UHFFFAOYSA-N 358.507 4.587 0 40 FJAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1c(Cl)cccc1Cl 7058541 RCJVUFOVLDGZCP-SECBINFHSA-N 366.273 4.989 0 40 FJAB c1ccc(-c2nnc(CSc3ncnc4c3oc3ccccc34)o2)cc1 7737468 CCOBTCJXAXLYJQ-UHFFFAOYSA-N 360.398 4.718 0 40 FJAB CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 12521126 YHWCHFOAMIJPLB-UHFFFAOYSA-N 364.879 4.502 0 40 FJAB CCc1ccc2c(CN3CCC[C@H]3c3ccc(OC)cc3)cc(=O)oc2c1 12810542 RCCSXDKXWUCIDZ-NRFANRHFSA-N 363.457 4.701 0 40 FJAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 14609724 FLRPPZAIIVRQQI-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB COc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1 16842575 ZRIAJHOIZZEPLM-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB Cc1c(-c2nc(-c3ccccc3F)cs2)nnn1-c1cccc(F)c1 16991772 BOTKRSGYUPUZFR-UHFFFAOYSA-N 354.385 4.644 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)cc1 18132102 MKKJWJGHWSIISJ-JOCHJYFZSA-N 366.505 4.562 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1 20110912 PTAQECLCLJMBHO-INIZCTEOSA-N 356.897 4.502 0 40 FJAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1Cl 20461633 XEMJMTJQWGTLBV-JXMROGBWSA-N 364.228 4.822 0 40 FJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCO[C@@H](c2ccccc2)C1 23896976 BOEBVSWQFTZEEI-HXUWFJFHSA-N 367.832 4.814 0 40 FJAB CC(C)(C)c1ccc(/C=C/c2nn3c(-c4ccncc4)nnc3s2)cc1 26966114 ZEEJASUSBLNMDJ-RMKNXTFCSA-N 361.474 4.716 0 40 FJAB Cc1noc2ncc(C(=O)Nc3ccc(SC4CCCC4)cc3)cc12 30510105 SLAZGULHXIFWEN-UHFFFAOYSA-N 353.447 4.818 0 40 FJAB Cc1cc(NC(=S)NCCC2=CCCCC2)ccc1Br 40845278 XSWOACDEIQBTLE-UHFFFAOYSA-N 353.329 4.934 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 44903683 RJSQGOMUYSEYOW-FQEVSTJZSA-N 371.908 4.979 0 40 FJAB CCSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44938580 YWHAKFKWUBZTFR-QGZVFWFLSA-N 372.509 4.788 0 40 FJAB CC(C)Oc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547974 LTPFWCXECZVAGL-BOPFTXTBSA-N 354.431 4.568 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(Cl)cc1)C3 54278198 PLKIWIIEXBEAKF-UHFFFAOYSA-N 369.848 4.724 0 40 FJAB biogenic C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc2cc(Cl)ccc2o1 69609397 LFIVMOYGOCBDNT-LBPRGKRZSA-N 360.866 4.793 0 40 FJAB Oc1ccc(C2=CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)cc1 70040642 VPYZRHVGIBMFON-UHFFFAOYSA-N 371.362 4.648 0 40 FJAB Cc1sc2nc(SCCC(F)(F)F)n(C(C)C)c(=O)c2c1C 72966953 OUEUEAAVZZMLDG-UHFFFAOYSA-N 350.431 4.700 0 40 FJAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(OC)cc1 75343097 HPTUUPMFECYLBV-UHFFFAOYSA-N 353.491 4.759 0 40 FJAB CC[S@@](=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C 80344482 MCBHKVYFIDWRGX-DEOSSOPVSA-N 361.850 4.774 0 40 FJAB CCN(CC)[C@H](C(=O)Nc1cc(-c2ncco2)ccc1C)c1ccccc1 89618397 VJGFXQRALWZXHX-FQEVSTJZSA-N 363.461 4.672 0 40 FJAB CCN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1C 102225106 GOQQVOWKKHMVEN-UHFFFAOYSA-N 366.442 4.514 0 40 FJAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1 206876809 VQOVIPNQQBCVFX-GOSISDBHSA-N 370.880 4.708 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219580796 IAMVTAMWLHURMY-MSOLQXFVSA-N 371.452 4.710 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccc(F)cc2)nc1 222614390 LWBQSDCGKUDGQH-UHFFFAOYSA-N 361.298 4.554 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 223405742 HFDOGEFBGAEGKJ-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 224332565 KVRIDOIUOUDRIC-QGZVFWFLSA-N 370.924 4.544 0 40 FJAB CCOCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCC 224695983 IUFUCBLFKJVJNP-UHFFFAOYSA-N 351.805 4.667 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)c1ccccc1 225039441 MOHSFTZKQSNHQB-UHFFFAOYSA-N 365.816 4.832 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)c1 225219793 JBOHGNJKCPWCFF-OALUTQOASA-N 369.505 4.778 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCC[C@@H](C)C1 226330131 VXASWLLESODAMG-CYBMUJFWSA-N 357.885 4.719 0 40 FJAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408557937 PMLFOIRHGACBRH-SFHVURJKSA-N 363.866 4.526 0 40 FJAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Br 408585478 FNSMBJZGYQTTFQ-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB COc1ccc(-c2nnc(SC(=O)c3ccc4ccccc4c3)o2)cc1 408692451 MTKDNFAXQMTGCN-UHFFFAOYSA-N 362.410 4.831 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)n1cnc2ccccc21 408734144 LZGJFHWPFZUYAQ-HXUWFJFHSA-N 361.832 4.918 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccccc1Cl 408866885 IZTQBOUWYRDOLQ-CQSZACIVSA-N 365.951 4.870 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2ccccc2F)C1 589653576 SBESDZIDCOGXPH-INIZCTEOSA-N 369.223 4.738 0 40 FJAB Cc1ccc2nc(S[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)[nH]c2c1 1656051502 LAZOIGHJRWYYAL-NSHDSACASA-N 362.401 4.836 0 40 FJAB Cc1ccc(S(=O)(=O)N(C)C2c3ccccc3Oc3ccccc32)cc1 1865267 YGALSYKFZAQADV-UHFFFAOYSA-N 365.454 4.511 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 3374741 UIJJZGRSDIDAMB-UHFFFAOYSA-N 372.896 4.786 0 40 FJAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3416181 AICQQRPQXJYDDK-UHFFFAOYSA-N 359.834 4.583 0 40 FJAB CCOC(=O)c1oc2ccccc2c1NC(=O)CCSc1ccccc1 4135319 LIXCUWRSJCKAIF-UHFFFAOYSA-N 369.442 4.730 0 40 FJAB O=C(CCc1ccccc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479433 ZHWXNAUOJOWGCJ-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(Cl)cc3)cs2)cc1 4570756 RABZNMZBSSTCRB-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 4948378 WWKRUNJEBIHYPN-UHFFFAOYSA-N 368.849 4.696 0 40 FJAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)cc2)o1 5252473 CFIBLWVDSOULEN-UHFFFAOYSA-N 365.772 4.959 0 40 FJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(Cl)cc1 6189420 KERBSWMQHFWYNN-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB O=C(CSc1nccc2ccccc12)Nc1cccc(C(F)(F)F)c1 6403020 BTNVLLGECMYGDK-UHFFFAOYSA-N 362.376 4.984 0 40 FJAB CS(=O)(=O)N(Cc1cccc2ccccc12)c1ccc(Cl)cc1F 6654303 XPCNRHGFACAOIE-UHFFFAOYSA-N 363.841 4.599 0 40 FJAB COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 6800426 WRJQVOQSMXLOBA-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccccc2)cc1 6885237 KJCHDUKQQFYHQO-UHFFFAOYSA-N 361.485 4.820 0 40 FJAB Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)c1C 7723260 ULPQDTCENHRFFB-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)Cc2ccco2)c(Cl)c1 7726894 JDMJQHFYQIIMTO-UHFFFAOYSA-N 372.852 4.784 0 40 FJAB COc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1 7969958 XMFCFJMYVBSKAS-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(F)c(Br)c1 8190639 NOBYBDPMIAWWMW-VZUCSPMQSA-N 352.590 4.734 0 40 FJAB COc1cccc(CNC2CC2)c1OCc1ccc(Cl)cc1Cl 8495414 VCIILKLPXLMXME-UHFFFAOYSA-N 352.261 4.833 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc2[nH]cnc2c1 8718773 TXZIDOUEIWUNOT-UHFFFAOYSA-N 360.851 4.654 0 40 FJAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1C 9074643 WNTJECYFIJTABL-UHFFFAOYSA-N 360.396 4.663 0 40 FJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccc(F)cc3)C2)cc1 9134498 UYNXDSFXLIDGEN-IBGZPJMESA-N 367.449 4.955 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 9528910 HQCPQGMWKXKDPZ-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CC[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc2cc(OC)ccc2c1 11438175 MLPZRPDEUKYNAY-JOCHJYFZSA-N 362.473 4.698 0 40 FJAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 12564713 HOWIUQOBBVQZBA-FOCLMDBBSA-N 359.473 4.729 0 40 FJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)cc2)cc1 12633006 DSCMOYQZROBDBI-UHFFFAOYSA-N 358.351 4.914 0 40 FJAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 12673062 ZPANNUMIMZUMEQ-ACJLOTCBSA-N 373.294 4.517 0 40 FJAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(SC(F)F)cc1 12811857 AUABVTRVHZBPOO-LBPRGKRZSA-N 362.445 4.929 0 40 FJAB CC[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(C)cc1 12917895 XQMHXQSMIHIKQR-FQEVSTJZSA-N 366.486 4.912 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)nn1-c1ccccc1 12929656 WSFNCSVGIXBKJQ-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB Clc1cccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)c1 13723776 VRSUQGKVCKCMDO-UHFFFAOYSA-N 351.822 4.655 0 40 FJAB Sc1nnc(-c2cc(-c3cccs3)nc3ccccc23)n1C1CC1 17072756 NYKZHFJGYZFEFK-UHFFFAOYSA-N 350.472 4.845 0 40 FJAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1SC(F)F 19358481 OZAVEADORSCKID-UHFFFAOYSA-N 359.300 4.575 0 40 FJAB CCc1ccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)cc1 19927337 BDCYXMQEVJFFGK-QGZVFWFLSA-N 362.292 4.790 0 40 FJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 20451252 PNGOJVUUINSTBX-JOCHJYFZSA-N 363.457 4.712 0 40 FJAB COc1ccc(NC(=O)c2cccnc2Nc2ccccc2Cl)cc1 22072059 IZPLKIPXVIRCCE-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB CN(CCOc1ccccc1)C(=O)c1cc(-c2ccco2)nc2ccccc12 22411926 XJHYWPPVYPQWRD-UHFFFAOYSA-N 372.424 4.646 0 40 FJAB C[C@H]1CCc2sc(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)cc2C1 23074139 VSLGBYVCDCRSBD-KBXCAEBGSA-N 371.502 4.683 0 40 FJAB Cc1ccc(-n2s/c(=N\C(=O)c3ccccc3)nc2-c2ccccc2)cc1 26504983 KQLCWYOENODOPI-GYHWCHFESA-N 371.465 4.650 0 40 FJAB Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1 27663724 BPTQOTLPZCKXBR-FQEVSTJZSA-N 356.897 4.605 0 40 FJAB C[C@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccccc1Cl 32083608 NEPSMHUJSAKKQH-HNNXBMFYSA-N 366.848 4.805 0 40 FJAB CC(C)c1c(C(=O)N[C@H](C)c2cc3ccccc3o2)cnn1-c1ccccn1 32911715 NOAYOZOGYWEISA-OAHLLOKOSA-N 374.444 4.628 0 40 FJAB C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nc3ccccc3s2)cc1 41127086 DRZKRACRBYYORW-OAHLLOKOSA-N 350.487 4.907 0 40 FJAB Fc1ccc(Oc2cc(CNc3ncnc4ccsc34)ccn2)cc1 60333584 WOHJMWNTFHXUKC-UHFFFAOYSA-N 352.394 4.630 0 40 FJAB COc1cc(NC(=S)Nc2ccc(F)cc2C)c(OC)cc1Cl 71761234 XNJIYYCYWYSPIJ-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB Cc1ccc2nc([C@@H]3CCCN(c4ncnc5ccc(C)cc45)C3)[nH]c2c1 95469169 AUUDVFPBMYIAQQ-MRXNPFEDSA-N 357.461 4.507 0 40 FJAB Cc1ccc(CN2CCCC3(CCN(Cc4ccsc4)CC3)C2)cc1 96047374 JVDYAFVNNSJSRP-UHFFFAOYSA-N 354.563 4.935 0 40 FJAB COc1ccccc1-c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194165 PDDKEPPTELVXSW-UHFFFAOYSA-N 362.414 4.583 0 40 FJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1)c1nc3ccccc3nc12 100641864 DGZHWVVWNGREHA-DHIUTWEWSA-N 357.457 4.598 0 40 FJAB CC(C)(C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958982 ZLJQEQVMSUAINO-UHFFFAOYSA-N 364.533 4.670 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620719 TVESCJBMIWFTMF-FQEVSTJZSA-N 365.429 4.543 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)cc3)N21 222664459 YZGPCSBRKBQCNR-PWIZWCRZSA-N 367.518 4.848 0 40 FJAB CC(C)c1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 222693930 WIYKVXAHOGMPNL-UHFFFAOYSA-N 351.368 4.524 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)s1 223370029 NEPSZNPZXCAEEF-MOPGFXCFSA-N 365.527 4.624 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCCC2)cc1 224935598 KSABQOIDJILGOK-FQEVSTJZSA-N 352.478 4.700 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1 225483776 DEPGVBJOKLMYJB-QGZVFWFLSA-N 356.491 4.528 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)NCCCc2ccc(Cl)cc2)c1 225688186 QDFAGTGDKHOAAZ-UHFFFAOYSA-N 359.897 4.900 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(OC)c(C)c1 225787970 UJHMVHHVQNOSEX-YOEHRIQHSA-N 361.869 4.692 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2cccnc12 225883758 YTZWLSVFMWNNTK-OAQYLSRUSA-N 358.482 4.803 0 40 FJAB CCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N1 408990956 PDZGFYVSJDISRV-IBGZPJMESA-N 365.502 4.743 0 40 FJAB Cc1cc(O)nc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)ccc12 561846656 CYLAUBLKLIUSNK-TUNNFDKTSA-N 372.468 4.657 0 40 FJAB Cc1ccc(Nc2ccccc2C(=O)N2CCC(c3c[nH]nc3C)CC2)cc1 585082108 GWICFAIYGZKKRQ-UHFFFAOYSA-N 374.488 4.790 0 40 FJAB CC1(C)c2cc(CCC(=O)O)ccc2N[C@H]2c3cccc(Cl)c3OC[C@H]21 585263531 VSBWKCZDNZKIKJ-BEFAXECRSA-N 371.864 4.810 0 40 FJAB O=C1NCCc2c(N[C@@H]3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)cccc21 1664996703 YDYDBZCTZPSPCG-GDBMZVCRSA-N 374.406 4.740 0 40 FJAB CNc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CCCC3 642370 RKUCWHCEYREDPY-UHFFFAOYSA-N 369.515 4.587 0 40 FJAB O[C@@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1 1995665 NDAKMAPCTFMTSY-AOMIVXANSA-N 355.547 4.691 0 40 FJAB CCCC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2530033 JLQPLDXCKOKHOY-HNNXBMFYSA-N 367.445 4.559 0 40 FJAB O=C1c2cccc(OCc3ccccc3)c2CCN1Cc1ccc(F)cc1 2716364 HDJLWBWSTMUHAB-UHFFFAOYSA-N 361.416 4.603 0 40 FJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)c1 2723093 DVAKCPIRTOQULP-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)c4ccccc4)[C@H]3C=C12 4046877 JFWJNPMZQASWPB-ORJKNLTESA-N 353.506 4.651 0 40 FJAB biogenic Cc1ccc(Cl)cc1-n1ncc2c(Nc3ccc(F)cc3)ncnc21 4354791 WMEBOKGSKKJZCO-UHFFFAOYSA-N 353.788 4.660 0 40 FJAB COc1cc(CC2N(c3ccccc3)CCN2c2ccccc2)cc(OC)c1 4622135 GPNJZIQTRLTTJR-UHFFFAOYSA-N 374.484 4.599 0 40 FJAB CCOc1cccc(O)c2c(C)[n+](-c3ccc(Br)cc3)c(C)c1-2 4647519 ORFWOGDOLYDXJO-UHFFFAOYSA-O 373.270 4.552 0 40 FJAB CSc1ccccc1-c1nnc(NC(=O)CCSc2ccccc2)o1 5240216 JITPWMOTSFPGLD-UHFFFAOYSA-N 371.487 4.579 0 40 FJAB CCC1=C(c2cccc(OC(C)=O)c2)[C@@H](C)c2ccc(OC(C)=O)cc21 5568130 GZZYUSVWJWADMH-ZDUSSCGKSA-N 350.414 4.975 0 40 FJAB Cc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(C)cc3)cc2)cc1 6550360 SVHALNHAFGPYQO-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c(C)c1 6629934 UYKWZCGHJYKJGN-UHFFFAOYSA-N 369.534 4.585 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ccc(F)cc1 7150765 JPXMOLGOSRESEJ-LBPRGKRZSA-N 360.479 4.747 0 40 FJAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(C2CCCCC2)cc1 7405399 MVBJIEJOPRPSRG-UHFFFAOYSA-N 351.418 4.813 0 40 FJAB CC(=O)c1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1 7593664 NTUYYQBBPYACIW-UHFFFAOYSA-N 350.443 4.964 0 40 FJAB O=C(N[C@H]1CCSc2ccccc21)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 7985038 XIDJFIODDDAPIF-MAVSLOEDSA-N 361.938 4.918 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3F)s2)cc1 8914790 RGMFMZLGPJFGDR-UHFFFAOYSA-N 355.438 4.894 0 40 FJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@@H]1CC=CCC1 9729785 QKXJSWDDSVTPMK-GFCCVEGCSA-N 363.280 4.867 0 40 FJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1 10413190 KVMSURTUTHTKLF-UHFFFAOYSA-N 361.397 4.779 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 11169036 UWSKPOHPHIGDBK-GFCCVEGCSA-N 368.260 4.648 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3F)cc2)cs1 12615336 BYBFDHQSUBUWEV-UHFFFAOYSA-N 360.841 4.841 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)c2ccccc2)c2c3c(sc2n1)CCC3 12692108 WOOGPSDKOGCBJX-NSHDSACASA-N 354.500 4.852 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1C 12974623 WKROONUPZCPWAN-UHFFFAOYSA-N 374.488 4.931 0 40 FJAB CCOc1ccc(-[n+]2c(-c3ccc(OC)cc3)cn3c2CCCCC3)cc1 13496518 SUHSDBYPTUCXHW-UHFFFAOYSA-N 363.481 4.566 0 40 FJAB O=C(NCCCSc1ccccc1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 14996815 PIQJKOLVGQWJDH-BANKROOTSA-N 363.954 4.863 0 40 FJAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 15274728 VEACTLYEOKXJJT-UHFFFAOYSA-N 357.866 4.513 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)cc1 15543433 DPLAWOVRYRLCGC-OAQYLSRUSA-N 367.489 4.735 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC12CC3CC(CC(C3)C1)C2 16021543 QLWIGHPPPOQFPW-UHFFFAOYSA-N 369.896 4.533 0 40 FJAB COC(=O)c1ccc(N(c2ccc(OC)cc2)c2cccc(O)c2)s1 16216876 ZMUYEKWNWCVQIK-UHFFFAOYSA-N 355.415 4.719 0 40 FJAB COc1cccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 17073289 NEPLFEGJCZNEAH-LLVKDONJSA-N 354.397 4.762 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 21006682 FKKPVVPTMAFDDZ-UHFFFAOYSA-N 351.368 4.890 0 40 FJAB O=c1c2scc(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1 23126386 CXOTUFXFHIQLCG-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1cccc2ccccc12 23433814 SDVQCMIKMRWXMH-GFCCVEGCSA-N 353.805 4.713 0 40 FJAB O=C(Cc1ccccc1F)Nc1cccc(OCc2ccc(F)cc2)c1 27279283 BQZCXTMRJZZXFZ-UHFFFAOYSA-N 353.368 4.725 0 40 FJAB COc1ccc2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)[nH]c2c1 30221885 OJVBDDQTWGHTFG-UHFFFAOYSA-N 360.413 4.612 0 40 FJAB CCOc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C(C)C)cc1 32478544 JGNKMIUTTLJXQJ-UHFFFAOYSA-N 363.461 4.706 0 40 FJAB CCN1CCC[C@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C 36741276 CFRADDLXFKVKJF-IBGZPJMESA-N 374.598 4.629 0 40 FJAB Cc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C 41076959 TYHGUWMTWUEAMX-UHFFFAOYSA-N 363.461 4.527 0 40 FJAB CCCN(C(=O)NC1CCN(C2CC2)CC1)[C@@H](C)c1cc2ccccc2o1 54562149 DEQOGYFMNREFGE-INIZCTEOSA-N 369.509 4.542 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(C)cc(C)c2O)cc1 57339432 JUVAWXJAAPENCR-OAQYLSRUSA-N 371.436 4.902 0 40 FJAB CSc1nc(O)c2scc(-c3ccc(Br)cc3)c2n1 62591990 KEXGZYILQQFXMJ-UHFFFAOYSA-N 353.266 4.548 0 40 FJAB Cc1sc2nc(-c3cccc(F)c3)[nH]c(=O)c2c1-c1ccc(F)cc1 71827878 HSYDJPQLZJSTBM-UHFFFAOYSA-N 354.381 4.905 0 40 FJAB Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccncc1Cl 73081564 APFIFVHXHLNCCZ-UHFFFAOYSA-N 368.868 4.779 0 40 FJAB O=C(Nc1cc(Cl)ccc1NC1CC1)[C@@H]1C[C@H]1c1ccc(F)cc1F 76093151 CODYRFADVJIYBZ-LSDHHAIUSA-N 362.807 4.935 0 40 FJAB Cc1nc(CNC(=O)Nc2sc3ccccc3c2Cl)c2ccccn12 89708975 BJYZGUCOGMCCNO-UHFFFAOYSA-N 370.865 4.833 0 40 FJAB O=C(Nc1nc2ccc(F)cc2s1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 102093767 IGWZYGORVAHPBY-DDCRILKWSA-N 364.873 4.952 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C1=C(O)CCCC1=N2 102657685 OCRJJDPXMOHCEB-KRWDZBQOSA-N 354.479 4.624 0 40 FJAB c1ccc(N/N=c2\c(=N/Nc3ccccc3)c3cccc4cccc2c43)cc1 104376157 GBXHWTQWOXMXIC-JTFGNLGHSA-N 362.436 4.724 0 40 FJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 119377798 IAAONRVTBJWTGZ-CZSMESJOSA-N 374.521 4.502 0 40 FJAB CCNc1ccc2oc(-c3cccc(I)c3)nc2c1 216842233 RZZBDCCGQJJRNU-UHFFFAOYSA-N 364.186 4.531 0 40 FJAB C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)CCC2 223152868 IDWZMWPVYHXBSH-AWEZNQCLSA-N 359.922 4.939 0 40 FJAB CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2F)ccc1Cl 223166587 PLNGUCYEYCAGNV-UHFFFAOYSA-N 356.180 4.562 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 224535808 FFHUZPRZOVPPBD-HNNXBMFYSA-N 359.897 4.857 0 40 FJAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)c(C)c1 225206664 TUUCWDAYNCENHP-OAQYLSRUSA-N 351.490 4.619 0 40 FJAB COC(=O)c1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807145 PNSDYMBFCYVZNJ-UHFFFAOYSA-N 370.518 4.516 0 40 FJAB Cc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 226308531 VGNATKIGYAZEDX-UHFFFAOYSA-N 353.804 4.932 0 40 FJAB CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccccc1Oc1cccnc1 1322400941 WIRUECZUGYJUIC-UHFFFAOYSA-N 357.413 4.627 0 40 FJAB O=C(c1ccc(-c2ccsc2)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519935 WNFIMAMTDVQJMD-OALUTQOASA-N 363.486 4.620 0 40 FJAB C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1624344509 JJXQTXNSOMARLX-SUMWQHHRSA-N 368.481 4.950 0 40 FJAB O=C(OCc1ccccc1)c1cc(Br)ccc1Br 683267 CGOFIPQBUCPVNV-UHFFFAOYSA-N 370.040 4.569 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 1369153 DNZRJKXKGAXZLF-ROUUACIJSA-N 373.884 4.640 0 40 FJAB Cc1ccc(NC(=O)c2c(C)nc(Nc3nc4ccccc4o3)nc2C)cc1 1858922 PMGYPXUXTYCCRU-UHFFFAOYSA-N 373.416 4.539 0 40 FJAB CCCOc1ccc(CNc2ccc(Br)cc2)cc1OC 2140645 KSQQZUCEFLHVFE-UHFFFAOYSA-N 350.256 4.859 0 40 FJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)cc1 3660143 RDOWRVYEFOYZPV-UHFFFAOYSA-N 367.246 4.687 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1C 4119400 BUZUETZAWWGZKE-UHFFFAOYSA-N 350.443 4.870 0 40 FJAB Cc1oc(C(=O)O)cc1CSCc1oc(-c2ccccc2)cc1C(=O)O 5074078 FHJGCKGHMSENKK-UHFFFAOYSA-N 372.398 4.678 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@H](C)C4)cc1 5234972 TXUOCPJWCZLUNU-AWEZNQCLSA-N 369.486 4.975 0 40 FJAB CCC(=O)Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 5710924 HJFBNZPHDSFJNB-UHFFFAOYSA-N 374.462 4.759 0 40 FJAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N1CCc2ccccc21 6588252 DWRYSHXJUAZWER-ZDUSSCGKSA-N 354.500 4.632 0 40 FJAB Cc1cccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5s4)c3C2)c1 6719909 GNEJNLQPFRJYHP-OAHLLOKOSA-N 359.454 4.703 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 6949647 ROCOZHAWOCZUCK-UHFFFAOYSA-N 362.473 4.699 0 40 FJAB Cc1cccc(C)c1N1C(=S)N[C@H]2C[C@]1(C)Oc1c(Cl)cccc12 8023770 BEHMPDPUVFKUJY-KXBFYZLASA-N 358.894 4.891 0 40 FJAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1 8359905 KPJICQGJJWTFMX-CQSZACIVSA-N 363.442 4.685 0 40 FJAB COCCNc1oc2c(c1-c1cccc(F)c1)c(=O)oc1c(C)cccc12 11615575 UWTRCPBXRDSPHF-UHFFFAOYSA-N 367.376 4.712 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1 12577505 VCOYZMYWRCKJGX-XSFOEPMVSA-N 369.486 4.595 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3nc2C)c1 12913071 WYKCJKSOJPKIRD-HNNXBMFYSA-N 351.475 4.674 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC[C@@H](C)C3)cccc2c1=O 12976615 BTBHKPAQSBMSFU-OAHLLOKOSA-N 361.441 4.641 0 40 FJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 15810128 FJZCTPFTGYKRHT-UHFFFAOYSA-N 366.442 4.532 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CCCCC1 17178162 YVJTZXCCQBJMHN-UHFFFAOYSA-N 362.473 4.798 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 25617366 WOTQYHVRGOQUEQ-KRWDZBQOSA-N 358.441 4.772 0 40 FJAB COc1ccc(-c2cn3nc(Cc4ccccc4)n4c3c2CCCC4)cc1 26507511 QTJUVPCZVBIJPE-UHFFFAOYSA-N 357.457 4.739 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2ccccc2o1 27745039 DVUVCKRHOVEYMQ-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB CN(C(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)c1ccccc1 32642548 KJPVUOHKIBRTLA-UHFFFAOYSA-N 368.440 4.575 0 40 FJAB COc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2)cc1F 32719725 PTHBUTWLXGFXQI-UHFFFAOYSA-N 365.404 4.899 0 40 FJAB Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CC(C)(C)C2 39980644 IDMFHBUXXHKNMP-ZDUSSCGKSA-N 364.445 4.715 0 40 FJAB O=C(c1ccc(SCc2cccnc2)cc1)N(Cc1ccco1)C1CC1 47925547 WVFOVTJIHZGNQN-UHFFFAOYSA-N 364.470 4.772 0 40 FJAB C[C@@H]1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 57427726 FMWCJPWJSCACTC-QGZVFWFLSA-N 363.461 4.548 0 40 FJAB C[C@@H](c1ccccc1)N(C)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 74908385 ZDISUJHABNKXGV-CABCVRRESA-N 356.470 4.581 0 40 FJAB COc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1Cl 95097178 JKKIPUXIQICJDM-UHFFFAOYSA-N 359.834 4.766 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224320225 OTOPVYLJBRZSHF-VQTJNVASSA-N 362.502 4.512 0 40 FJAB Cc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1C 224851524 SJIUWXWEXPCKSB-UHFFFAOYSA-N 364.533 4.538 0 40 FJAB CC(C)c1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 224976813 ODALGFOEWFHQRB-UHFFFAOYSA-N 352.478 4.818 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 225474861 KXUDZRVVQBAXMD-QGZVFWFLSA-N 351.874 4.980 0 40 FJAB CCOc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225770305 JONUFJGXAPWKFO-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB C[C@H](NC(=O)c1cc2cccc(Cl)c2oc1=O)c1ccc(Cl)cc1 226040959 ZBCFRPUXVXDYPH-JTQLQIEISA-N 362.212 4.591 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408678219 DFZKYJYSIYUURC-FQEVSTJZSA-N 359.469 4.991 0 40 FJAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409100086 URRWIQIVAJJDDQ-GMROUXNLSA-N 369.870 4.582 0 40 FJAB CC(=O)Oc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409316260 YDRUGCCXPVMBQX-YBEGLDIGSA-N 373.817 4.506 0 40 FJAB O=C(N=c1cc[nH]cc1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 503771406 PUBKAEKSVLUJNK-UHFFFAOYSA-N 362.260 4.522 0 40 FJAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(Cc2cccc(F)c2)n1 585265525 NKWVZPZOPYHAET-UHFFFAOYSA-N 365.404 4.964 0 40 FJAB C[C@@H](c1ccccc1)N1C[C@@H](c2nc(C3CCCCCC3)no2)CC1=O 647695054 GSUIDQIERQRJAA-YJBOKZPZSA-N 353.466 4.585 0 40 FJAB Cc1cccc(OC(=O)c2cc(Br)ccc2Br)c1 683268 YYJISQIUUCBSGD-UHFFFAOYSA-N 370.040 4.739 0 40 FJAB CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 944064 GTHLWHKGQZIQLL-UHFFFAOYSA-N 371.458 4.670 0 40 FJAB CC[C@H](Sc1ncnc2sc3c(c12)CC[C@H](C)C3)C(=O)OC(C)C 952373 LKYKZGJYTQIKNA-AAEUAGOBSA-N 364.536 4.638 0 40 FJAB Cc1cccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)c1C 1434582 YEFSVBGUDVCVEI-UHFFFAOYSA-N 370.452 4.857 0 40 FJAB Cc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c1 2688245 XNTKTAPDRZUELT-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB O=C(c1cc2ccccc2oc1=O)N1c2ccccc2CCc2ccccc21 3181402 DJFJEGBXBGYTBF-UHFFFAOYSA-N 367.404 4.870 0 40 FJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C 3319314 DXFPUCCUOUBVGG-UHFFFAOYSA-N 355.488 4.874 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3cc(C)cc(C)c3)sc2C)cc1 3341538 MHBZRJAORUGIRJ-UHFFFAOYSA-N 352.459 4.996 0 40 FJAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 3413347 AOOFTMUHIANUTF-UHFFFAOYSA-N 370.499 4.940 0 40 FJAB CCn1c(SCC(=O)N[C@H](C)c2cccc(Cl)c2)nc2ccccc21 4484605 IBGPTVWXJSJDFC-CYBMUJFWSA-N 373.909 4.679 0 40 FJAB CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccco3)sc2c1 5265082 NYWPQJJTNQDRPQ-UHFFFAOYSA-N 363.442 4.694 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCC2 5307769 UKMHVZGBASHBLR-UHFFFAOYSA-N 357.475 4.546 0 40 FJAB COc1ccc(C(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc1 5451325 IITXXEKPAQOGBS-UHFFFAOYSA-N 371.440 4.540 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 6649443 PVURWPDMNWHLTN-MRXNPFEDSA-N 370.518 4.644 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)c1c(F)c(F)c(F)c(F)c1F 6756839 ICJQCZAMYCSZCL-UHFFFAOYSA-N 370.321 4.625 0 40 FJAB Cc1c(CSc2nnc(C3CC3)n2C2CC2)noc1-c1ccc(F)cc1 7858338 ZHYKAUAOLKLJJV-UHFFFAOYSA-N 370.453 4.885 0 40 FJAB CCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 8587059 DJAKEOXPRDMTQN-LJQANCHMSA-N 358.869 4.992 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2C)c2cc3cc(OC)ccc3nc21 9242642 LCYDWNBRUCSYRF-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB Cc1ccc(F)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 10741127 URQLLLDPFXKUSM-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB O=C(c1ccccc1Br)N(Cc1cccs1)c1ccccn1 11914630 SEGLHAXDKDEXIJ-UHFFFAOYSA-N 373.275 4.753 0 40 FJAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C)cc2)cc1 11916239 BAJNHDFMDPJWHG-UHFFFAOYSA-N 367.470 4.677 0 40 FJAB Cc1nc2c(SCc3cccnc3)nnc(-c3ccccc3)c2s1 12232827 ARKBBYPIWQOMAS-UHFFFAOYSA-N 350.472 4.749 0 40 FJAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O 12727476 XDQKHODYAMQLTK-QHCPKHFHSA-N 364.489 4.732 0 40 FJAB C[C@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)C1 13098978 CBOUKYXEIJXPQL-JTQLQIEISA-N 357.310 4.604 0 40 FJAB S=C(Nc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 13790745 SIOZXTPPFJGFFI-UHFFFAOYSA-N 355.246 4.574 0 40 FJAB O=C(NCc1nc2ccccc2[nH]1)[C@@H](Sc1ccccc1)c1ccccc1 16694922 ICNYSQBBVWBXOE-NRFANRHFSA-N 373.481 4.713 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 20460421 VSYBXFGMRXABDK-DLBZAZTESA-N 363.457 4.883 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(C)c1Cl 21311858 XVIPANKHFLFJSN-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1 22523293 WDYOVFJGRWEKSU-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CC(=O)c1ccc(O[C@H](C)C(=O)Oc2cccc(Cl)c2Cl)cc1 23652425 JWUDGJGADZKYSI-LLVKDONJSA-N 353.201 4.569 0 40 FJAB Cn1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c2ccccc21 24460351 KXNHOSCGGRYLKP-UHFFFAOYSA-N 350.443 4.675 0 40 FJAB CC(C)(C)c1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 24830982 CEFJNEKFAGXUET-UHFFFAOYSA-N 350.506 4.835 0 40 FJAB CSc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 29300754 UTCLANTTYCGZCX-ZDUSSCGKSA-N 370.499 4.938 0 40 FJAB CCCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c2ccccc12 31904034 CXBPJPNJKCOHQG-INIZCTEOSA-N 361.507 4.582 0 40 FJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Cl)c(Cl)c1 32688930 UPGLZRXJWSFDQT-OAHLLOKOSA-N 369.317 4.622 0 40 FJAB CCc1ccc(-c2nc(CSCC(=O)Nc3cc(C)on3)cs2)cc1 32779097 GCYYFCMUMKNGRA-UHFFFAOYSA-N 373.503 4.541 0 40 FJAB OC1=Nc2c(ncn2-c2ccccc2Br)[C@@H](c2cccs2)C1 36357234 AWJXJMAVJMXHJB-SNVBAGLBSA-N 374.263 4.820 0 40 FJAB CCn1nc(C)c2c(C(=O)Nc3ccccc3)cc(-c3ccc(C)cc3)nc21 36613386 QOAFFKQDEDPIPT-UHFFFAOYSA-N 370.456 4.987 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44765825 AWBSTRWUQDUWJU-CABCVRRESA-N 361.869 4.610 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1Cl 44846714 OZMABAVWYMZVAL-LBPRGKRZSA-N 363.866 4.636 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)CSCc1ccccc1 49026675 ODSFQNOLROJPFG-UHFFFAOYSA-N 370.543 4.549 0 40 FJAB CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 49929308 BTPVBAKJARNTRJ-INIZCTEOSA-N 352.459 4.672 0 40 FJAB Fc1cc(Br)ccc1NC(=S)NC1CCCCCCC1 59114954 JEXBOCSHHHKHAV-UHFFFAOYSA-N 359.308 4.988 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72349004 BXFQOGPTMJNAJG-QFIPXVFZSA-N 370.496 4.621 0 40 FJAB COc1cccc(Br)c1-c1c(Br)cccc1OC 95486379 FKEUMJYXIIIGCM-UHFFFAOYSA-N 372.056 4.896 0 40 FJAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C 223384950 UPGNCEVGJLGNEE-UKTHLTGXSA-N 351.490 4.809 0 40 FJAB CCCCOCc1cc(C(=O)Nc2ccccc2SC)ccc1OC 224442360 PBHYGRHZTABUFD-UHFFFAOYSA-N 359.491 4.986 0 40 FJAB Cc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)c(C)c1 224942733 LYILOCOOUJBUDC-IBGZPJMESA-N 361.485 4.830 0 40 FJAB CCSc1ccccc1NC(=O)Cc1cccc(Br)c1 225618603 LABUPZFORUJPIV-UHFFFAOYSA-N 350.281 4.742 0 40 FJAB COC(=O)c1cccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225862685 UXCDEUXFXWOGRZ-UHFFFAOYSA-N 368.502 4.538 0 40 FJAB COc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3C)o2)cc1Cl 226765661 SHPQXPFQWHZZRL-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB C[C@H](CCc1ccco1)NC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]21 248195153 ORYWHTWXSGORLG-BSVWKCFKSA-N 371.521 4.505 0 40 FJAB Fc1ccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 306131067 JVOPSZFPJJXMQS-OAQYLSRUSA-N 372.447 4.873 0 40 FJAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C)cc1 903471 XWELYVGYAZCVQP-UHFFFAOYSA-N 353.491 4.786 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 987733 QSCMZMZDJNEQDZ-UHFFFAOYSA-N 350.340 4.696 0 40 FJAB CCc1nc(SCC(=O)OC2CCCCC2)c2c(C)c(C)sc2n1 1372120 KKHXBPYAVWWENR-UHFFFAOYSA-N 364.536 4.839 0 40 FJAB CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc3ccc(Br)cc23)C1 1775453 NNEVMBDBIWBOIP-UGSOOPFHSA-N 360.299 4.797 0 40 FJAB CCCN(CCC)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2122072 SUNDTGDEIDSLDC-UHFFFAOYSA-N 351.446 4.788 0 40 FJAB biogenic Cc1cnc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)s1 2639547 PJMDVSDAQAXWFK-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB Cc1ccc(OC(=O)COc2ccc(Br)cc2Cl)c(C)c1 2848260 WYCMNSMRQSASKC-UHFFFAOYSA-N 369.642 4.704 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Oc2ccccc2)cc1 3166034 VRMHBEDKNIUYEI-KRWDZBQOSA-N 359.425 4.836 0 40 FJAB O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1 3267894 HNELZVLWWUAEBL-UHFFFAOYSA-N 366.920 4.870 0 40 FJAB COc1ccc2c(CSc3nc4ccc(Cl)cc4[nH]3)cc(=O)oc2c1 4406765 WBWUJNVNQZBFFD-UHFFFAOYSA-N 372.833 4.624 0 40 FJAB Cc1ccc(C)c(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)o2)c1 4496569 ZOIGYCVRGIQSEC-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CCCC[C@H](CC)C(=O)N1C[C@H](C)N(C(=O)[C@@H](CC)CCCC)C[C@@H]1C 4614268 GQHUPNLGVONPND-MUGJNUQGSA-N 366.590 4.867 0 40 FJAB Cc1cnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)s1 5262191 VMMYZBIDSHYGNP-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB Cc1ccc(CN(C)C(=O)c2ccccc2OCc2ccc(F)cc2)o1 5421215 CEMCCOMWCHYPMC-UHFFFAOYSA-N 353.393 4.578 0 40 FJAB CC[C@@H](C)c1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 6001843 PDJLSVCTOBJODT-CYBMUJFWSA-N 366.486 4.869 0 40 FJAB CCN(C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(C)cc2)cs1 6826545 AUHXAXGFOPURBV-UHFFFAOYSA-N 366.442 4.514 0 40 FJAB Cn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2cccs2)c1=S 7143692 GRRVDRYXMUHYLP-HNNXBMFYSA-N 374.510 4.613 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1F 8280628 NGIUSUWDQSXLAQ-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)c(C)c1 8479127 GQCOXOZJVCOHCT-CQSZACIVSA-N 362.267 4.780 0 40 FJAB CC[C@H](C)NC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854294 ZBOGVADKWPKXLP-NSHDSACASA-N 354.928 4.546 0 40 FJAB C[C@H](C(=O)N1CCSCC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 8991388 DVZMHRJZADMTGO-LBPRGKRZSA-N 358.894 4.653 0 40 FJAB O=C(/C=C/c1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1 10367731 PGPZSUNSXIHQNW-BUHFOSPRSA-N 370.496 4.634 0 40 FJAB CC(C)N(C(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc12)C(C)C 10949548 NLEWCMRUJHTTES-AWEZNQCLSA-N 357.523 4.633 0 40 FJAB Cc1c(O)ccc2c(CSc3nc4ccccc4s3)cc(=O)oc12 10963979 PEXDMKUSVSLTSK-UHFFFAOYSA-N 355.440 4.709 0 40 FJAB COc1ccc(NC(=O)c2nc(-c3ccccc3F)sc2C)c(OC)c1 11691889 LCWUUCQOZPRMLV-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CC(C)C(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccccn2)cc1 12220512 OZQIGOSYWDRPEG-UHFFFAOYSA-N 374.488 4.601 0 40 FJAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 12637129 ZJHRHXIYEWXECT-SFHVURJKSA-N 361.489 4.911 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 15840809 RZLQXNLOQSVBLL-MRXNPFEDSA-N 364.445 4.656 0 40 FJAB CC1CCN([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)CC1 15860055 MHJUMMCMHHRVBI-FQEVSTJZSA-N 368.521 4.780 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccccn1 16297830 AYMCPFYODNAOBF-UHFFFAOYSA-N 354.356 4.526 0 40 FJAB O=C(NC(=S)Nc1ccccc1F)c1cccc2c(Cl)cccc12 21596290 WTZRRDXGIBFGIW-UHFFFAOYSA-N 358.825 4.759 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)cc1F 22512347 GRDLQQIHDJMBJW-INIZCTEOSA-N 366.230 4.693 0 40 FJAB CCc1ccc(-c2nc(CC(=O)Nc3cccc(C(C)=O)c3)cs2)cc1 24636022 DWGHEHBZSDJMLJ-UHFFFAOYSA-N 364.470 4.756 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccccc1F 29512472 AQJHBAQSTAWOSN-UHFFFAOYSA-N 356.422 4.975 0 40 FJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2cc[nH]c2c1 32102835 MCTDBTDZQQWTJI-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB Cc1cccc2nc(COc3ccc(Br)cc3Cl)cn12 32778932 UIGWACVKWZAMRI-UHFFFAOYSA-N 351.631 4.638 0 40 FJAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1 40285041 MWVBWUSLOULBKR-OAHLLOKOSA-N 364.426 4.720 0 40 FJAB C[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1Br 43265841 DZBJFZGFTMLBIE-VIFPVBQESA-N 355.182 4.610 0 40 FJAB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 44949839 NAXUUJHVDZEGMT-JKSUJKDBSA-N 355.478 4.637 0 40 FJAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccccc1 46012647 FDZISNKAAMJGTF-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB O=C(CSc1ccccn1)N(Cc1ccc(F)cc1)C1CCCCC1 57913469 YZUPSRSSLHOLBR-UHFFFAOYSA-N 358.482 4.674 0 40 FJAB CCc1nc(CN[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cs1 58171316 ZWIPPTSDJKGLJJ-HNNXBMFYSA-N 365.502 4.809 0 40 FJAB CCc1nc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)cs1 58180405 RWALDYZYMGSDCR-QGZVFWFLSA-N 370.865 4.525 0 40 FJAB CCc1ccc([C@@H](C)Nc2ccc3nnc(-c4ccccc4F)n3n2)cc1 58427856 HKSCOGGETRVWIE-CQSZACIVSA-N 361.424 4.666 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 72193635 NBGNNKIPHRICPO-UHFFFAOYSA-N 372.896 4.902 0 40 FJAB COc1ncccc1NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 84284331 FMJQAIFPZHFSPM-SFHVURJKSA-N 353.466 4.757 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1C 95953281 WYSNPUCKMDCVRP-UHFFFAOYSA-N 370.449 4.882 0 40 FJAB O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(Br)c1 96170838 OLQHNXADVJRPKO-UHFFFAOYSA-N 357.154 4.695 0 40 FJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1c(F)cccc1Cl 215151175 APHLIUXQQOAILR-OVCLIPMQSA-N 365.788 4.855 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219581065 OEEMWDVYYQECGO-QZTJIDSGSA-N 371.452 4.710 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219596199 PXXSLUYAJIITKA-UXHICEINSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222970191 UCEPQOGBAICWJM-QVKFZJNVSA-N 355.453 4.739 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223228076 ZLVLXDAAPPDQMA-VLIAUNLRSA-N 357.881 4.864 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C(F)(F)F)c1 224398172 UOURXOVBIBCHJY-CQSZACIVSA-N 373.374 4.942 0 40 FJAB CCC1(CC)C[C@H](NC(=O)COc2cccc(Cl)c2)c2ccccc2O1 224539453 PAJKERNUNUEVOB-SFHVURJKSA-N 373.880 4.918 0 40 FJAB Cc1nc(N2CCCC[C@@H]2C)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 245229471 YRYNZQVFEZLRBH-RCDKPBPISA-N 361.489 4.622 0 40 FJAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 257271621 MZBXMGCRVBFKNN-INIZCTEOSA-N 355.457 4.635 0 40 FJAB Cc1csc(-c2cccc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)n1 257306050 SSRNGPKCTFGEAO-AWEZNQCLSA-N 359.495 4.628 0 40 FJAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(F)cc1 408562071 MPGXOYWRYMKOCU-VZCXRCSSSA-N 358.438 4.662 0 40 FJAB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(F)c1 408622637 PXEDUACZWYKEBV-UHFFFAOYSA-N 368.795 4.984 0 40 FJAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1O 408841943 IVHIQGDNWRCKKQ-FMIVXFBMSA-N 355.802 4.605 0 40 FJAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCCC1 409003542 SNYOARUPEBVUAH-YLJYHZDGSA-N 374.525 4.557 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)cc12 500615963 DTVYKXCRXSKUCZ-SNVBAGLBSA-N 361.804 4.630 0 40 FJAB O=C(C[C@@H]1CCCCO1)N1CCCCCCCc2ccccc2OCCC1 643583880 FAAYLORTGABKRV-NRFANRHFSA-N 373.537 4.750 0 40 FJAB COc1ccc(-c2ccc(C)c(C(F)(F)F)c2)cc1C1(C(=O)O)CC1 1615057124 DYYWLKRHYQTWEO-UHFFFAOYSA-N 350.336 4.806 0 40 FJAB Cc1ccccc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615117269 BDCZPLKVHOAJND-HSZRJFAPSA-N 366.480 4.798 0 40 FJAB Cc1ccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc2c1C 1888909515 MWUHRVMCUUKDGH-UHFFFAOYSA-N 354.479 4.558 0 40 FJAB CCCCn1c(N)c(C(=O)Nc2ccc(C)cc2)c2nc3ccccc3nc21 2291996 DKGIQMUMKWDNPF-UHFFFAOYSA-N 373.460 4.528 0 40 FJAB Fc1ccc(C2=CCN(c3ncnc4c3[nH]c3ccc(F)cc34)CC2)cc1 2306615 WUMGADJBFUENFN-UHFFFAOYSA-N 362.383 4.683 0 40 FJAB COc1ccc(C(=O)Nc2nnc(-c3c(C)c(C)cc(C)c3C)s2)cc1 4070371 MCNBXDKSTRZLGH-UHFFFAOYSA-N 367.474 4.700 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 4603057 GEPMVASORPARDC-UHFFFAOYSA-N 362.267 4.764 0 40 FJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1C 4682573 YEHHKUCMMDVJOQ-YVLHZVERSA-N 373.861 4.894 0 40 FJAB FC(F)(F)c1cc(-c2cccs2)nc(Nc2nc3ccccc3[nH]2)n1 4741799 MKFZIXSPXSZSBV-UHFFFAOYSA-N 361.352 4.844 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)no2)cc1 4880702 MJPMCYVBNZJIRN-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB CCN(CC)CCCN[C@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1 5347069 PNIFHKSWZZWSNA-OFNKIYASSA-N 360.586 4.614 0 40 FJAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1N1CCCC1=O 5440001 BOCPKSNFDRKNDX-UHFFFAOYSA-N 363.244 4.681 0 40 FJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)cc2OC)N3)C1 6934140 SUHAUYMPWRTDQG-ADLMAVQZSA-N 372.490 4.709 0 40 FJAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCc2ccccc2C1 7736735 MNUVSYXIRYTTGX-UHFFFAOYSA-N 361.416 4.603 0 40 FJAB O=C(Nc1ccnn1Cc1cccs1)C(c1ccccc1)c1ccccc1 7793839 UUEVGVAYLKIBJH-UHFFFAOYSA-N 373.481 4.764 0 40 FJAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3C3CC3)o2)c1 8039540 YEMKBIZAACGUDT-LBPRGKRZSA-N 367.478 4.702 0 40 FJAB Cc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c(Br)c1 8328892 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368.289 4.741 0 40 FJAB COc1ccc2c(c1)CCCN2C(=O)c1cc(F)c(Cl)cc1Cl 10542574 XYHNMIZZPHPZAF-UHFFFAOYSA-N 354.208 4.734 0 40 FJAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)CCC2 12753799 NHFHKQLLICIECW-LBPRGKRZSA-N 364.367 4.513 0 40 FJAB CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)Oc1ccccc1 13849842 LYGRRRPSGFCWCX-CQSZACIVSA-N 357.454 4.869 0 40 FJAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CCC[C@@H]2OC(C)=O 16321847 ZUSONHKRTFWOTR-XZOQPEGZSA-N 366.457 4.764 0 40 FJAB Cc1ccc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1F 19173842 OTWQUKSQXJSPFM-UHFFFAOYSA-N 351.425 4.508 0 40 FJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)cc1OC 19215477 FAUGEYXLLXCORY-IBGZPJMESA-N 368.502 4.542 0 40 FJAB Cc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C1CCCCC1)n2C 19661315 ASRWFOODXDHTKW-UHFFFAOYSA-N 361.489 4.857 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1OC 20044273 HQNFILQSHLVILV-NRFANRHFSA-N 363.457 4.664 0 40 FJAB Clc1cc2c(cc1CSc1nccc(-c3ccccc3)n1)OCO2 20120543 RNETZTCDQZQMFG-UHFFFAOYSA-N 356.834 4.818 0 40 FJAB Cc1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1C 23574476 NFEDRPDVAMBHJT-UHFFFAOYSA-N 372.390 4.949 0 40 FJAB CC1(C)CC(N(Cc2cccnc2)Cc2cccc(F)c2)CC(C)(C)N1 36740521 HETZAZNBHGLMED-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB CCN(CC)C(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 37547392 OEELIOJDCZGHJU-UHFFFAOYSA-N 364.533 4.623 0 40 FJAB CC(C)c1noc(CCCC(=O)Nc2ccc3c(c2)-c2ccccc2C3)n1 40130090 SFGBTTCYTPZRSF-UHFFFAOYSA-N 361.445 4.726 0 40 FJAB Cc1ccc2c(Nc3cccc(Cl)c3)c(C(=O)N3CCCC3)cnc2n1 49004569 KDXPLWNCYVOJOT-UHFFFAOYSA-N 366.852 4.571 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 64328817 NHRGHEKKBNYYLG-UHFFFAOYSA-N 373.880 4.734 0 40 FJAB CCc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c(N)cc2Cl)cc1 72229170 QUBUUBBTWKOWMA-UHFFFAOYSA-N 371.912 4.973 0 40 FJAB COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 72348804 FSJUCEQLSRQFHG-LJQANCHMSA-N 359.473 4.532 0 40 FJAB COc1ccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 72348809 XPGFEMDKXVPLKT-FQEVSTJZSA-N 359.473 4.532 0 40 FJAB CO[C@@](C)(CNC(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 96392561 YVDYOLQCKHJCGM-KRWDZBQOSA-N 371.786 4.650 0 40 FJAB O=C(NCc1ccco1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 98004657 GNTALSLYRIQKCI-SQFISAMPSA-N 370.408 4.838 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219327707 CHROWMAJFDDAQW-RBUKOAKNSA-N 371.452 4.710 0 40 FJAB Cc1ccc(C)c(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 222974670 DVPFKEMKAPHJSY-UHFFFAOYSA-N 363.461 4.581 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223127685 COKCASAVHFBSPS-YADHBBJMSA-N 351.490 4.990 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Br 223642989 IISAKSRSWNAZSD-ZDUSSCGKSA-N 374.278 4.734 0 40 FJAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)C1 223957938 HOJNKTXBTJJAMJ-BRWVUGGUSA-N 368.550 4.612 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1C 225537393 SKHLAIDLEDGWRH-INIZCTEOSA-N 370.518 4.836 0 40 FJAB O=C(NC(=S)Nc1ccccc1S)c1cccc2c(Cl)cccc12 408622146 OJEWRGQJFWYURM-UHFFFAOYSA-N 372.902 4.909 0 40 FJAB Cc1ccc(CNc2cccc(CCN(C)C3CC3)c2)c(-c2cnn(C)c2)c1 548981949 FUCVFJTYWMKNMD-UHFFFAOYSA-N 374.532 4.644 0 40 FJAB O=C(Nc1ncccc1Cl)C1(c2cccc(OC(F)(F)F)c2)CCC1 653729060 DMZUKNZWXIDBDG-UHFFFAOYSA-N 370.758 4.694 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](c2cccs2)C1 820262101 KSTDWBUUMJASRA-SNVBAGLBSA-N 370.699 4.794 0 40 FJAB Cc1cnccc1CN1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 2037988736 GMKTWXBOGYDCHS-QFIPXVFZSA-N 353.485 4.553 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 678627 DDXSUSCFRQMJFX-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB C[C@H](NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccccc1 682885 KGFBGESYIVHLMU-MSOLQXFVSA-N 357.453 4.899 0 40 FJAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 932963 IOIHZULFYYCRTR-UHFFFAOYSA-N 371.531 4.964 0 40 FJAB C[C@@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2ccc(N(C)C)cc2)C[C@H]1C 1075228 RUIRRXOORKKSJZ-CVEARBPZSA-N 359.473 4.616 0 40 FJAB CCc1ccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336851 QMHAENRZMCFYLK-UHFFFAOYSA-N 370.493 4.680 0 40 FJAB CCCCCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 2351859 NDXLHVTUWQBNHC-AWEZNQCLSA-N 368.481 4.560 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1N1CCCCC1 2409148 PQLSMZNILXETGS-UHFFFAOYSA-N 360.457 4.848 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(F)c(F)c1F 3244575 FABDNZBIKITEPC-UHFFFAOYSA-N 372.755 4.629 0 40 FJAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccccc1 3249730 LJVIUJSHONECEV-FOWTUZBSSA-N 369.467 4.532 0 40 FJAB CCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 3666372 SZUIVDDTEKRZIU-HJLBWTBNSA-N 366.457 4.618 0 40 FJAB Cc1ccc(-c2nc(S[C@H]3CCOC3=O)[nH]c2-c2ccc(C)cc2)cc1 5266997 ACDQEZZKCHXQLR-KRWDZBQOSA-N 364.470 4.768 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Br)cc1 5770083 OEVCJQDNQHHZJF-UHFFFAOYSA-N 352.231 4.953 0 40 FJAB CC[C@H](C(=O)Nc1nc(-c2ccc(OC)cc2)cs1)c1ccccc1 5875371 QQBMOEFQKGISDG-KRWDZBQOSA-N 352.459 4.951 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OC 6155240 ZEPOMPZINAVGIM-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB CCN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1 6630120 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C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)c1c[nH]c2ccccc12 22709533 HUYKVGMPALXIFJ-SNVBAGLBSA-N 355.444 4.643 0 40 FJAB CNC(=O)c1ccccc1NC(=O)c1oc2c(ccc3ccccc32)c1C 22978688 IYFJEOISCUPGNT-UHFFFAOYSA-N 358.397 4.506 0 40 FJAB CC(=O)NCCCc1ccc(-c2csc(-c3sccc3C)n2)cc1 23148911 YIHJRHNPWBCJKH-UHFFFAOYSA-N 356.516 4.916 0 40 FJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1 25014553 XVRHQMNRBPPAIL-UHFFFAOYSA-N 364.836 4.876 0 40 FJAB CC(=O)c1cccc(NC(=O)C(C)(C)c2ccc(Br)cc2)c1 27578695 MAUIKWUWRDGBSP-UHFFFAOYSA-N 360.251 4.568 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc2ccccc2o1 33028453 XROXRMCURANYOP-GOSISDBHSA-N 368.864 4.653 0 40 FJAB COc1ccc(-c2nc3cnccn3c2Nc2cccc(C)c2C)cc1OC 35622641 RPNDRMGOOWTEJU-UHFFFAOYSA-N 374.444 4.774 0 40 FJAB O=C(Nc1nccs1)c1cc2occc2n1Cc1ccc(Cl)cc1 36357390 WVUZWYPIUKOWGN-UHFFFAOYSA-N 357.822 4.645 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCCc1ccc(Cl)cc1 38756775 KCXBFQHLTGRXJF-UHFFFAOYSA-N 353.849 4.864 0 40 FJAB C[C@H](CNC(=O)Nc1ccccc1SC(F)F)N(C)c1ccccc1 40105516 ARYJCEWXBPOLFD-CYBMUJFWSA-N 365.449 4.648 0 40 FJAB Cc1cnc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)s1 48272476 YWHFYBDPORAVRT-UHFFFAOYSA-N 354.397 4.921 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)Cc1ccccc1Cl 49409883 UCGOSQNIZDCNAT-UHFFFAOYSA-N 358.894 4.512 0 40 FJAB O=C(CSc1ccc(Cl)cc1)NCCOc1cccc2ccccc12 59472044 FNJHLTJKUANLCY-UHFFFAOYSA-N 371.889 4.781 0 40 FJAB Cc1cc2nc(-c3cc(Cl)c(N)c(Br)c3)[nH]c2cc1C 70461511 MAZPYVKTUJMFKD-UHFFFAOYSA-N 350.647 4.845 0 40 FJAB c1ccc(C2(c3nnc(Cc4ccc5ccccc5c4)o3)CCOCC2)cc1 71889956 DNXCSLMBOMLADW-UHFFFAOYSA-N 370.452 4.910 0 40 FJAB COc1ccc(Cc2nnc(S[C@@H]3CCc4ccc(F)cc43)o2)cc1 72312858 CFKYHOJLTWQKCH-QGZVFWFLSA-N 356.422 4.588 0 40 FJAB COc1cccc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1 75143024 MIZJBZKCYBOCQV-UHFFFAOYSA-N 372.468 4.752 0 40 FJAB Cc1cccc(-c2cc(NC(=O)c3ccco3)n(Cc3ccccc3)n2)c1 84213148 PGZQFBSEXKUVKL-UHFFFAOYSA-N 357.413 4.752 0 40 FJAB C[C@@H]1CCc2ccccc2N1C(=O)c1cc(C2CC2)nn1-c1ccccc1 102707587 GGZWFKORSJOOAW-MRXNPFEDSA-N 357.457 4.731 0 40 FJAB Cc1cc2c(cc1C)N[C@@H]1C(=O)[C@H](c3ccc(Cl)c(Cl)c3)OC1=N2 104239756 QQMNRAXTEHFMRE-WBVHZDCISA-N 361.228 4.775 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)cc1 113969100 ZYOIPRHBQPRQOB-LIRRHRJNSA-N 361.869 4.692 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5ON=C(C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 118917669 XHKXOQIVQHCQQV-LXGBQXIBSA-N 371.521 4.882 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(C)c(C)c1 222805673 ISXFONCNDZQILQ-FQEVSTJZSA-N 351.490 4.963 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 222897201 UQVVMZPPFNAQRF-JOCHJYFZSA-N 369.505 4.554 0 40 FJAB CCCSc1nnc(NC(=O)CCc2cccc3ccccc23)s1 223613327 LTPPQOADKWAXJX-UHFFFAOYSA-N 357.504 4.765 0 40 FJAB S=C(Nc1ccc(Br)c(Cl)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225322208 YXWUIXAVLOELQX-KKFJDGPESA-N 359.720 4.578 0 40 FJAB CC[C@H]1N=C(c2cccc(F)c2)c2cccn2-c2cc(OC)c(OC)cc21 225378214 SBMBLXDBDYNLAB-QGZVFWFLSA-N 364.420 4.936 0 40 FJAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 226255090 WMUFPUIAOPJNCZ-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 226270952 OWNFEHYGWFKQFC-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 409090575 RIOLRJFAELYTNO-WQRHYEAKSA-N 363.394 4.730 0 40 FJAB O=C(Cc1csc2ccccc12)Nc1ccc(Oc2cccnc2)nc1 551376275 VWPWCLIDBIZEBP-UHFFFAOYSA-N 361.426 4.665 0 40 FJAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 714705 ZCYXERBBJHTCOR-JOCHJYFZSA-N 372.424 4.749 0 40 FJAB COc1ccc(-c2cc(C(=O)OCC(C)C)c3ccccc3n2)cc1OC 798318 WPZZIKFYZDNKJX-UHFFFAOYSA-N 365.429 4.732 0 40 FJAB Cc1ccc(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 820636 CRWZEQJFQLIMTI-OAHLLOKOSA-N 357.668 4.533 0 40 FJAB C[C@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)O 876418 OWYSMCPNWNFPJM-NSHDSACASA-N 365.886 4.534 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc2c(c1)OCCO2 1100641 XJNFLZAEHGGWEJ-UHFFFAOYSA-N 359.381 4.538 0 40 FJAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Cl)Sc1nc2ccccc2[nH]1 1453216 YXJXXETUUCRPFP-CQSZACIVSA-N 367.257 4.658 0 40 FJAB COc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 3342919 AZHVBBDEYATTAY-CQSZACIVSA-N 367.474 4.716 0 40 FJAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C(c1ccccc1)c1ccccc1 4029363 KNYWIRBCFLEUJU-FCHUYYIVSA-N 363.501 4.626 0 40 FJAB biogenic Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4077166 UBXDVAFKJHZKRX-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 4279711 KZAJWGMATMDLCH-UHFFFAOYSA-N 374.849 4.764 0 40 FJAB Cc1ccccc1CSc1nnc2ccc(-c3ccc(F)cc3)nn12 4376662 JCQJCOSBSSFFBA-UHFFFAOYSA-N 350.422 4.531 0 40 FJAB COc1ccc2c(CC(=O)Nc3ccccc3N3CCCCC3)coc2c1 5199444 XQMAHNINIHETJQ-UHFFFAOYSA-N 364.445 4.613 0 40 FJAB Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 6565462 WDCSKAYMBPVALA-QFIPXVFZSA-N 369.468 4.894 0 40 FJAB O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)c1cccc2ccccc12 8026569 BCFJEURWCKCRFS-CCEZHUSRSA-N 367.404 4.827 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2cc(C)cc(C)c2)cc1 9431926 DMXVGWURBNDPKV-UHFFFAOYSA-N 363.457 4.813 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc(Cl)c1F 11623838 UEULDADPZWLOQS-UHFFFAOYSA-N 357.212 4.500 0 40 FJAB Cc1cccc(C)c1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 14094529 AORKAMURAJJHCM-UHFFFAOYSA-N 354.450 4.580 0 40 FJAB CCN(CC)[C@@H](CNC(=S)Nc1ccc(C)cc1C)c1ccccc1 16243056 ZTRWWAAVEZLXQJ-FQEVSTJZSA-N 355.551 4.673 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(Br)s1 16778616 ZCZHAFXAUZCZDL-JTQLQIEISA-N 356.310 4.722 0 40 FJAB Cc1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)o1 21953528 DLVVELUANZSAAA-GQCTYLIASA-N 358.191 4.767 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccccc1 22072316 PMNIHELHHPFHAR-UHFFFAOYSA-N 368.234 4.840 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 23135765 ZRVQTUHBHYUUDB-DHZHZOJOSA-N 350.443 4.779 0 40 FJAB C[C@@H](C1CC1)N(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 25512735 VKRHNSAUCCOQBJ-ZDUSSCGKSA-N 369.852 4.656 0 40 FJAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)oc2c1C(=O)CC(C)(C)C2 32932265 QBEKJKQSUDQGLE-CYBMUJFWSA-N 357.425 4.715 0 40 FJAB CCOc1cc(CO)c(Br)cc1OCc1ccc(Cl)cc1 34772776 UAMJGPOFHRKAOA-UHFFFAOYSA-N 371.658 4.573 0 40 FJAB O=C1N[C@@H]2S[C@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](c3ccc(Cl)cc3)[C@H]2S1 35569168 YTFQJULJUPEYPV-SHIARMKHSA-N 351.924 4.736 0 40 FJAB O=C(Nc1ccccc1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 36635952 SPBARENAFTVCCI-HXUWFJFHSA-N 361.372 4.532 0 40 FJAB O=C(Nc1ccccc1NC(=O)C1CCC1)c1ccccc1C(F)(F)F 36709598 YUSUCOOKXTZVRQ-UHFFFAOYSA-N 362.351 4.696 0 40 FJAB CC(C)=C1OC(=O)C(C)(C)N2c3ccccc3[C@@H](c3ccccc3)[C@@H](C)N12 38337603 OZZVROPRARXLBN-OXQOHEQNSA-N 362.473 4.831 0 40 FJAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1cc2ccccc2o1 38490134 JXHZZBGCFBNXEH-UHFFFAOYSA-N 362.410 4.999 0 40 FJAB Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39756250 RCPOZAXMGPZCMB-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)cc1C 49405250 OBXXACYITBZRAY-UHFFFAOYSA-N 366.808 4.648 0 40 FJAB CC(=O)Nc1c(C)ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1C 56690021 RWXAXHXXWRQLLP-HXUWFJFHSA-N 365.477 4.939 0 40 FJAB CC(C)CNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213309 DHPNYBNTVXFDEY-IBGZPJMESA-N 353.466 4.623 0 40 FJAB CCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCC2)cc1Cl 72329309 LQSCXGPEZLCBQG-UHFFFAOYSA-N 361.873 4.581 0 40 FJAB CC(=O)c1ccc(-c2ccc(C(=O)N(C)[C@H](C)c3cccc(O)c3)o2)cc1 84656217 LUOARLCDEPTSEC-CQSZACIVSA-N 363.413 4.688 0 40 FJAB O=C(c1cc2ccccc2o1)N(CCc1cccs1)Cc1ccoc1 90612313 IUHSRSLYHHLPEL-UHFFFAOYSA-N 351.427 4.972 0 40 FJAB Cc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 102581109 FQKAYBVQTSJLTK-DYESRHJHSA-N 356.429 4.652 0 40 FJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3C)c3ccccc3C2=O)cc1 102978165 VYMXFAOCEJQXQJ-QNGOZBTKSA-N 368.436 4.943 0 40 FJAB C[C@H]1CN(C(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)C[C@H](C)O1 138724135 WQYFXZAVWSDGBK-BXRKRMDBSA-N 355.865 4.516 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)S1 222629125 ZOFUXRDQWDZBGP-XMCHAPAWSA-N 361.470 4.931 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(Cl)cc1 224502582 QNMJIDLUOPAEDT-UHFFFAOYSA-N 373.880 4.944 0 40 FJAB COc1ccccc1CN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 225332827 CLQUEPKATOJUAK-UHFFFAOYSA-N 352.261 4.593 0 40 FJAB CC[C@@H]1N=C(COc2ccccc2)c2cccn2-c2cc3c(cc21)OCCO3 225375122 UAIUUUFQKYSJRC-SFHVURJKSA-N 374.440 4.581 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1ccc(F)cc1 225779836 PBNISWLKOJYGGZ-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225886476 FXPCQYVOQFDGOE-NRFANRHFSA-N 358.482 4.803 0 40 FJAB Cc1cc(-n2cnnc2)cc2nc(C(c3ccccc3)c3ccccc3)oc12 226235937 IFIQQLPWVGBLRT-UHFFFAOYSA-N 366.424 4.897 0 40 FJAB CN(C(=O)c1ccc(-c2ccc(Br)cc2N)o1)c1ccccc1 226303825 UOMZOPAPZPFBRD-UHFFFAOYSA-N 371.234 4.568 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccccc1 408561557 JNNFEYLZNUFUSG-DQRAZIAOSA-N 350.487 4.848 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1Cl 408587942 UZDNNYBDBZEXOU-UHFFFAOYSA-N 367.898 4.971 0 40 FJAB Fc1ccc(Nc2nc(Cl)nc(Cl)c2Br)c(F)c1 710625604 CEIPQJAWWLUOMD-UHFFFAOYSA-N 354.969 4.568 0 40 FJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc2c(c1)C(=O)CCCC2 1129821290 FHOYOWRGDPZLNJ-UHFFFAOYSA-N 362.404 4.844 0 40 FJAB COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1 851839 CDPDZWKMUXTSGG-UHFFFAOYSA-N 361.397 4.580 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1C 951218 LNBDYXNRCHCXTD-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)c1ccccc1 993098 BGBWFPPECKCYEP-INIZCTEOSA-N 354.409 4.947 0 40 FJAB Cc1cc2cc(CN(C(=O)N(C)C)C3CCCC3)c(Cl)nc2cc1C 1367787 MRRQTPQMVLIEEW-UHFFFAOYSA-N 359.901 4.931 0 40 FJAB CCOc1ccc2nc(Cl)c(CN(C(C)=O)C3CCCCC3)cc2c1 1367853 KJKUAPRAPCENRR-UHFFFAOYSA-N 360.885 4.968 0 40 FJAB O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCCCCC1 1452068 YTWLIAUEIOKEIU-UHFFFAOYSA-N 372.515 4.528 0 40 FJAB O=C(O)[C@H](Cc1cc(Cl)ccc1Cl)Sc1nc2ccccc2[nH]1 1453215 YXJXXETUUCRPFP-AWEZNQCLSA-N 367.257 4.658 0 40 FJAB COc1ccc(N[C@@H](c2ccc(Cl)cc2)P(=O)(OC)OC)cc1 2322806 IQFUKIKXMKZBQE-MRXNPFEDSA-N 355.758 4.945 0 40 FJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2657586 GAOXKBDZLCZOSW-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB C[C@@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 3401623 UGEMZLZPQSSQAS-IAQYHMDHSA-N 374.695 4.737 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(C)cc(C)c1 3895951 MJQVPQDQKSBNDA-FMPJLZMASA-N 358.526 4.599 0 40 FJAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Cl)cc(Cl)c1 4070411 FOQUXDFTVSMRAW-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 5032765 URKQTSPCRBUAJT-UHFFFAOYSA-N 369.804 4.967 0 40 FJAB COc1ccc(F)cc1CSc1nnc(-c2ccccc2F)n1C1CC1 5332634 BCLYFRKQGJHJJN-UHFFFAOYSA-N 373.428 4.859 0 40 FJAB Clc1cccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)c1 5519885 CJCQKBKLBHJGIN-UHFFFAOYSA-N 361.257 4.610 0 40 FJAB CCCCc1nnc(NC(=O)COc2ccccc2-c2ccccc2)s1 5608321 MEXZLPJLTUCTOY-UHFFFAOYSA-N 367.474 4.565 0 40 FJAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc(F)c1 6202745 PDCHMUCSNJXUIW-UHFFFAOYSA-N 373.493 4.821 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)cc1 6260081 XUYZNGKUJZFDJF-RUDMXATFSA-N 366.642 4.763 0 40 FJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 6316448 KGYVHBGSFGPXDO-UHFFFAOYSA-N 372.259 4.512 0 40 FJAB COC(=O)c1ccc(OC(=O)Cc2coc3ccc4ccccc4c23)cc1 6441029 BWUMFKWFQCPODD-UHFFFAOYSA-N 360.365 4.521 0 40 FJAB Cc1cccn2cc(CSc3nnc(-c4ccc(Cl)cc4)o3)nc12 6909019 AMNOYSCGIIINNU-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB CCc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(SC)c2)C(=S)N1 8023711 SFJLYVCWSCCIAI-PXNSSMCTSA-N 370.543 4.905 0 40 FJAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@H]1CCSc2ccccc21 8394940 PAGCFMKBQPTULJ-LBPRGKRZSA-N 365.907 4.718 0 40 FJAB COc1cccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)c1 8708475 PIIZWHFRHMBEKC-IBGZPJMESA-N 350.443 4.562 0 40 FJAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1Cl 9210291 JQEUVJRQYKNTQW-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3cccc(C)c3C)cc2c1 9461630 NIICTOOSVSPUCB-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccccc2Cl)cc1 10225286 BVBNCUSKDOOUIB-UHFFFAOYSA-N 370.905 4.939 0 40 FJAB COCCNc1oc2c(c1-c1cccc(Cl)c1)c(=O)oc1ccccc12 11614798 MRGPIKGFRJQLBA-UHFFFAOYSA-N 369.804 4.918 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12627265 VYRNCWRSFDJLPI-SFHVURJKSA-N 351.494 4.733 0 40 FJAB CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccs1 12930182 LKAXZKWQDXTWEI-INIZCTEOSA-N 352.297 4.567 0 40 FJAB CCCc1ccc([C@H](Nc2ncnc3c2cnn3C)c2cccs2)cc1 12971956 ZAEHXVFEIDINCB-SFHVURJKSA-N 363.490 4.579 0 40 FJAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)CC(C)C)c2)c1C 14405506 QIQCZOULRMXGMU-UHFFFAOYSA-N 370.497 4.537 0 40 FJAB CN1CCc2nc3sc4c(Cl)ncnc4c3c(-c3ccccc3)c2C1 17155239 XHDBMJVXBVFYEQ-UHFFFAOYSA-N 366.877 4.548 0 40 FJAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC 20110539 VTZDJXNLVHCCCA-JKSUJKDBSA-N 373.518 4.679 0 40 FJAB CCc1nc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)cs1 22109624 SWFQXFITPMYOQY-UHFFFAOYSA-N 357.456 4.683 0 40 FJAB O=C(Cc1ccc(Br)cc1)NC1CCC(c2ccccc2)CC1 25097790 BDBHZLYQRAFPEK-UHFFFAOYSA-N 372.306 4.834 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2Cl)cc1OC 25878973 VRXDTOJLDMQYBJ-SFHVURJKSA-N 373.880 4.654 0 40 FJAB CCc1ccc(N(CC(=O)c2ccc(F)cc2)C2=N[C@H](CC)CS2)cc1 27525252 JFGFHITVHMUQKM-GOSISDBHSA-N 370.493 4.959 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2ccccc2N2CCCC2)cc1Cl 28009291 GPVHNLPKTNBLGX-UHFFFAOYSA-N 365.260 4.855 0 40 FJAB CCOc1ccc(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 39973556 MURSAQDWWHHOBV-HXUWFJFHSA-N 371.502 4.550 0 40 FJAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 44909775 LHDJCKWCWOVCLB-HXUWFJFHSA-N 364.533 4.590 0 40 FJAB O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccc2cccnc12 46038096 LJDGJGOTHDQWGN-UHFFFAOYSA-N 363.417 4.674 0 40 FJAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 47209393 WFODYZNUQGEQLU-HNNXBMFYSA-N 357.450 4.542 0 40 FJAB CCCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 57344027 RFNNNCBHLWXZEG-UHFFFAOYSA-N 374.868 4.875 0 40 FJAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1C 64471812 KRJMMBGMTSPGQR-UHFFFAOYSA-N 363.436 4.970 0 40 FJAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c(C)c1 64471818 RJFNDYVUJDSORM-UHFFFAOYSA-N 363.436 4.970 0 40 FJAB CC1(C)[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)[C@@H]1C=C(Cl)Cl 100755464 QCKWAKZEHJRBJF-OFQRWUPVSA-N 353.293 4.726 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 113970566 IAZWKXJQZGXEFR-UXHICEINSA-N 357.881 5.000 0 40 FJAB O=C(CSc1ccc(F)cc1)N1CCS[C@H](c2ccccc2)CC1 208040827 YNMQUMHEWCJGRZ-SFHVURJKSA-N 361.507 4.625 0 40 FJAB CCCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218982773 MDEGPHLEDOPPDP-LJQANCHMSA-N 353.462 4.816 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 223000935 XTRQLRHXZFIAMP-QGZVFWFLSA-N 351.490 4.692 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCC2 223193604 FXRDKNFKVBBZGH-SFHVURJKSA-N 362.517 4.652 0 40 FJAB S=C(Nc1ccccc1)Nc1nnc(SCc2ccccc2)s1 224917449 CWMPIFPECIVCQA-UHFFFAOYSA-N 358.517 4.639 0 40 FJAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccccc3Cl)cc2)no1 226097687 QZONFQPBEHXWJO-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB CN(c1ccccc1)c1c(Br)cc(N)cc1Br 226317016 WAIKYHQCEJATGT-UHFFFAOYSA-N 356.061 4.562 0 40 FJAB COc1cccc2cc(C(=O)NCCc3ccc(-c4ccoc4)s3)oc12 390829658 FSVLRULLRIUHOR-UHFFFAOYSA-N 367.426 4.735 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1 408564646 ZHHSJVBDUZMFLQ-UHFFFAOYSA-N 371.502 4.824 0 40 FJAB Cc1ccc(-c2cc(C(=O)N[C@]3(C)CCCc4ccccc43)n[nH]2)cc1C 1566762889 XXMQTPMPBBFSSU-HSZRJFAPSA-N 359.473 4.675 0 40 FJAB Cc1ccsc1CN1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 2055830365 NQVDWSUGSCDEJE-UHFFFAOYSA-N 374.594 4.841 0 40 FJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2C1 661783 VEVMVTMLUHCHNL-CYBMUJFWSA-N 365.502 4.954 0 40 FJAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)CC(C)C)ccc2o1 724367 XPCBLWBJCNVEHR-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB CCCCc1ccc(NC(=S)NC(=O)c2cccc(OCC)c2)cc1 2053711 QICJGLAXDQMLHD-UHFFFAOYSA-N 356.491 4.555 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(C(F)(F)F)n2c1nc1ccccc12 2654051 BXGCPZUYNSLRHK-UHFFFAOYSA-N 369.346 4.688 0 40 FJAB CSc1ccccc1NC(=O)CSc1ccc(Br)cc1 3264261 HLHSEPWHTKLSOC-UHFFFAOYSA-N 368.321 4.902 0 40 FJAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)[C@@H]2C)cc1OC 3650330 WYBOVISLCPAJFV-ALLJEULLSA-N 356.462 4.681 0 40 FJAB biogenic O=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc2ccccc2oc1=O 4247432 MOJSZOWHHJAGBS-CMDGGOBGSA-N 360.196 4.752 0 40 FJAB O=C(CSc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4250516 YWLZDXNMTHLRHN-UHFFFAOYSA-N 359.454 4.961 0 40 FJAB COc1ccc(Cc2nnc(-c3ccc(Br)cc3)s2)cc1 4682612 WEPLEAQQDXASFB-UHFFFAOYSA-N 361.264 4.567 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 4815045 QLYSDBLCCBFADS-RTWAWAEBSA-N 374.488 4.844 0 40 FJAB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 4843930 RONWUDVZHQVPNE-HIFRSBDPSA-N 360.479 4.666 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(OC)cc1 4849210 NDLXPBPMTUDOEY-UHFFFAOYSA-N 352.459 4.537 0 40 FJAB O=C(CC1CCCC1)OCC(=O)N1c2ccccc2Sc2ccccc21 5528996 YIMGCBQQHDVQEU-UHFFFAOYSA-N 367.470 4.939 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 5560193 YMGBCPHVDRTRBU-CYBMUJFWSA-N 362.267 4.726 0 40 FJAB CN(C)c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 6135812 BLQRDGJZDHOVED-UHFFFAOYSA-N 374.875 4.840 0 40 FJAB Cc1ccc(-c2n[nH]c(SCc3ccc(Br)cc3)n2)cc1 6300865 SYQCQVXWKPZNFS-UHFFFAOYSA-N 360.280 4.835 0 40 FJAB COc1ccc(NC(=S)N(Cc2c(C)noc2C)c2ccccc2)cc1 6831514 RJUFUSHMTBFSBH-UHFFFAOYSA-N 367.474 4.704 0 40 FJAB COc1ccc(Br)cc1[C@@H]1Nc2ccccc2[C@@H]2OCC[C@H]12 6954189 KIZMZHRQVALSJO-XWIAVFTESA-N 360.251 4.702 0 40 FJAB C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)c1c[nH]c2ccccc12 7108568 FIJJRGWNBLPNRB-SNVBAGLBSA-N 362.212 4.903 0 40 FJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c(C)c1 7929252 YDXODMZTLIVRQS-KRWDZBQOSA-N 365.473 4.559 0 40 FJAB CCc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 8612232 UCIPICYWLZKTQI-UHFFFAOYSA-N 361.319 4.627 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)o1 8776859 VWLBXZOUSKIPSN-DGCLKSJQSA-N 367.276 4.780 0 40 FJAB O=C(CSc1nncn1C1CC1)c1c(-c2ccccc2)[nH]c2ccccc12 10649062 OMEFTMBCIAQYMN-UHFFFAOYSA-N 374.469 4.736 0 40 FJAB CCOc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12758482 HFXMZYRVBZYBJG-HNNXBMFYSA-N 366.486 4.715 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 12798318 IQDXSSDNTDJICL-UHFFFAOYSA-N 358.441 4.800 0 40 FJAB Cc1ccc(-c2cc3nc4c(c(NCc5ccc(F)cc5)n3n2)CCC4)cc1 13479698 FLXWCBMFCMQCBX-UHFFFAOYSA-N 372.447 4.945 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 13991592 VSUZGABSKGDANW-FOCLMDBBSA-N 370.452 4.577 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc(C)c1Cl 14396986 ZUXNCPBDATWCBQ-IAGOWNOFSA-N 359.897 4.862 0 40 FJAB Cc1csc(NC(=O)c2ccccc2OCc2ccccc2Cl)n1 15007783 GUCIBTNQXLZNCL-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB CCc1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 15838677 HHWQINHQRPVFMS-UHFFFAOYSA-N 355.821 4.839 0 40 FJAB CCCCn1nc(C)c2c(C(=O)Nc3ccccc3CC)cc(C)nc21 17072752 IVEBRKXIZRKIKO-UHFFFAOYSA-N 350.466 4.663 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)c1c(OCC)ccc2ccccc12 17154551 IKPZBAKAGXKPEF-UHFFFAOYSA-N 363.413 4.668 0 40 FJAB Oc1cccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1 20112551 BRCOUGBOBWSOAF-QHCPKHFHSA-N 370.452 4.688 0 40 FJAB biogenic C[C@H]1Cc2ccccc2N1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 22240046 AMPGNMOYPLTIAU-ZDUSSCGKSA-N 368.383 4.530 0 40 FJAB Cc1noc(C)c1CNc1ccccc1C(=O)Nc1ccc(Cl)cc1 24923813 PQZUKHHJIWZJNS-UHFFFAOYSA-N 355.825 4.809 0 40 FJAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cc(Cl)ccc1Cl 27916619 MARITAOAYLFTEX-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 30848105 QFZNKPRIBBCPQR-OAHLLOKOSA-N 361.869 4.612 0 40 FJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(C)CC1 32958799 UAWSMDROLZRMRC-UHFFFAOYSA-N 359.473 4.720 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 35476557 LGOBEKPNSFOSDB-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cccc(F)c1 37210490 ZIAXVKPMBHQDNQ-LJQANCHMSA-N 372.490 4.535 0 40 FJAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39766905 IKSQHNDSDPKEPR-UHFFFAOYSA-N 364.533 4.971 0 40 FJAB CCOC(=O)c1oc2ccccc2c1CSc1nncc2ccccc12 44156705 GSQZZJZRGGCAJJ-UHFFFAOYSA-N 364.426 4.845 0 40 FJAB CCSc1ccccc1C(=O)NCCCOc1cccc2cccnc12 44455570 GGCLHNXRJRPWJG-UHFFFAOYSA-N 366.486 4.546 0 40 FJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(F)cc1)C3 55393801 GFYIRXITSLJCHX-UHFFFAOYSA-N 367.420 4.627 0 40 FJAB Cc1cccc2c1N[C@H](c1cccc(OCc3ccccc3F)c1)NC2=O 63495392 OJQAMRYIYVSCCN-NRFANRHFSA-N 362.404 4.567 0 40 FJAB CCCn1cc(-c2nc(-c3ccc(C)c(C)c3)no2)c(=O)c2ccccc21 64963679 FLMZSPFIZMYMDJ-UHFFFAOYSA-N 359.429 4.745 0 40 FJAB CCn1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(C(C)C)n1 95960944 IBIDQQNBURPMOT-HNNXBMFYSA-N 363.914 4.647 0 40 FJAB Nc1nc(CN2CCC[C@@H]2c2cccs2)nc2sc3c(c12)CCCC3 97495039 SOBABHSOVQFVGS-CYBMUJFWSA-N 370.547 4.551 0 40 FJAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC[C@@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 119421075 KTDCVTGLYJBIFI-GTOCWNLFSA-N 358.522 4.920 0 40 FJAB C[C@H]1CCN(C(=O)c2csc(-c3ccncc3)n2)c2ccccc2S1 162572403 JJBYCZXIKVLAGL-ZDUSSCGKSA-N 367.499 4.736 0 40 FJAB Cc1noc(-c2sccc2NC(=O)C2(c3cccs3)CCCC2)n1 207959876 MMPRVCUIPFLMNO-UHFFFAOYSA-N 359.476 4.619 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(OC)cc1 223283827 CMSQELUTSPVRIG-OPAMFIHVSA-N 367.489 4.609 0 40 FJAB C[C@H](CNC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 223456076 MDZBCJZYJXYNQG-CYBMUJFWSA-N 351.874 4.632 0 40 FJAB CC(C)Sc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 223978688 YONTZMXAKUNNNP-GQCTYLIASA-N 374.318 4.997 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)c(C)c1 225709972 RWDRDXJQLMJCLL-KRWDZBQOSA-N 358.507 4.758 0 40 FJAB Fc1ccc(C2(CNC(=S)Nc3ccc(F)c(F)c3)CCCC2)cc1 225810613 QNJQMBUUTGOJHF-UHFFFAOYSA-N 364.436 4.902 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)NC3CCCCCCC3)c2)n1 225915864 XXGCOCZOSFXTDU-UHFFFAOYSA-N 352.482 4.680 0 40 FJAB Nc1ccc(C(=O)Nc2ccc(Oc3ccc(N)cc3Cl)cc2)cc1 255187936 HSYVQHWFEDSPTN-UHFFFAOYSA-N 353.809 4.549 0 40 FJAB Cn1ccnc1[C@H](N[C@H]1CCCc2ccc(Cl)cc21)c1cccc(F)c1 534235618 OJVFVZDRJIVFCH-VQTJNVASSA-N 369.871 4.969 0 40 FJAB CC1(C)C[C@@H](N[C@@H]2CCCOc3cc(F)ccc32)c2cc(N)ccc2O1 584774690 AZDYBCYBAQOFHU-QZTJIDSGSA-N 356.441 4.514 0 40 FJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(N(C)C)cc2)cc1 634892 GDRTYQKADWYZJQ-QFIPXVFZSA-N 357.457 4.832 0 40 FJAB CN(C)c1ccc2c(n1)C[C@H](c1ccccc1)c1cnn(-c3ccccc3)c1-2 978754 WAAJFEVZUHOEDZ-HXUWFJFHSA-N 366.468 4.688 0 40 FJAB CCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccc(C)cc3nc21 2373842 BCEHWWYYDHFBTQ-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB Cc1ccc(-c2ccc(OC(=O)[C@@H]3COc4ccccc4O3)c(C)c2)cc1 3331988 AWNNMDORHINUSZ-QFIPXVFZSA-N 360.409 4.716 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1 4033067 JBFZMKDKVKABCM-UHFFFAOYSA-N 356.429 4.574 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c(C)c1 4455949 BBQAFKLGZDBDMH-LICLKQGHSA-N 356.422 4.548 0 40 FJAB Cc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(F)cc1 4689029 CFUPQDGWKBVOHO-UHFFFAOYSA-N 368.433 4.859 0 40 FJAB Cc1ccc2cccc(OS(=O)(=O)c3cc(Cl)ccc3Cl)c2n1 4745049 BAZRYYQUWLEZHK-UHFFFAOYSA-N 368.241 4.618 0 40 FJAB Fc1cc(Br)ccc1CSc1nnc(-c2ccccc2)o1 5021086 CUIAMPHREPZYHJ-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)NCc1ccc(Cl)cc1 5442461 ORVQOEIPAPBFGP-UHFFFAOYSA-N 351.833 4.702 0 40 FJAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(C)oc2C)c2ccccc2)cc1 6863631 RSXTUNLPCQGYPR-FQEVSTJZSA-N 363.413 4.742 0 40 FJAB CCN1C(=O)/C(=C\c2ccccc2C)S/C1=N/c1ccc(OC)cc1 6954466 ZKGSSRKPPDALHD-KXNKKEQVSA-N 352.459 4.628 0 40 FJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccoc4C)o3)n2)cc1 7086622 JQLXYNSZYIMDMV-UHFFFAOYSA-N 368.418 4.543 0 40 FJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 7929327 CRYUNDZVPJTPEJ-QGZVFWFLSA-N 365.473 4.641 0 40 FJAB CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1OC 8101688 ADCCURMNWKXCQS-CYBMUJFWSA-N 363.404 4.643 0 40 FJAB O=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccc(Cl)cc1 11903062 OCLVEONXTHAMGU-UHFFFAOYSA-N 355.850 4.528 0 40 FJAB CCC[C@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 12602663 RQACSNCBCZWPGP-INIZCTEOSA-N 372.266 4.597 0 40 FJAB C[C@H]1c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2O[C@@H]1C 12623749 YAPULLWRZLEIFG-HZPDHXFCSA-N 350.462 4.814 0 40 FJAB O=C(CCNc1ccccc1)NCc1ccc(Oc2ccc(F)cc2)cc1 12732587 IKHMHKPYUQWFSX-UHFFFAOYSA-N 364.420 4.736 0 40 FJAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H]1c1ccccc1 12782451 CKDHIZSCPJSEBJ-OAHLLOKOSA-N 356.274 4.519 0 40 FJAB CCOc1ccc(NC2=NN=C(c3ccc(Cl)s3)CS2)cc1 15405465 RLURGYDUAGZHAV-UHFFFAOYSA-N 351.884 4.719 0 40 FJAB CCOC(=O)c1ccc(Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1 16697103 QENJSZYGBHHRGB-UHFFFAOYSA-N 370.449 4.632 0 40 FJAB O=C(c1ccccn1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19400170 WUVIPNCEZBWGHP-IBGZPJMESA-N 365.408 4.633 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(F)cc2)c1C 19557947 DOHQHWHAIXJTPI-SFHVURJKSA-N 354.429 4.548 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)o2)cc1Cl 20140319 AZYYPSTXRVBEEC-UHFFFAOYSA-N 369.804 4.788 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 20238444 MWCUQBKNCSSKTH-CQSZACIVSA-N 365.951 4.870 0 40 FJAB Cc1ccc(CS(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 20457424 CAHLAHMBFQNLJS-JOCHJYFZSA-N 365.498 4.512 0 40 FJAB CSc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 22522533 QQXQZYTXECEEDA-UHFFFAOYSA-N 354.519 4.893 0 40 FJAB COc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 22783218 BMXFQJBJIGJRRP-NSHDSACASA-N 370.276 4.870 0 40 FJAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4Cl)no3)ccc2O1 28286919 AMHZCBOXZOEOFF-LLVKDONJSA-N 354.793 4.571 0 40 FJAB O=C(c1ccccc1Cl)N1CCN(Cc2csc3ccccc23)CC1 32756944 PYPGHRSFSWGLIH-UHFFFAOYSA-N 370.905 4.513 0 40 FJAB Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(F)cc3)cn2)c1C 34840272 OPOPCZJDTMEVFA-UHFFFAOYSA-N 350.393 4.811 0 40 FJAB O=C1C[C@H](c2ccccc2Cl)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143191 DMQYUOOVUIVMER-CYBMUJFWSA-N 358.228 4.858 0 40 FJAB Cc1ncc(NC(=O)CC2CCCC2)n1-c1nc(-c2ccccc2)cs1 35682927 KZONYSACGYFQLM-UHFFFAOYSA-N 366.490 4.823 0 40 FJAB Cc1nc(COc2ccccc2)sc1C(=O)N[C@@H](C)c1ccccc1 36107959 GCHRMBIHYMPOBR-AWEZNQCLSA-N 352.459 4.522 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3csc(-n4cccc4)n3)c2)cs1 38490440 VLQNLLDYNVIYFH-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB CSc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 39977907 PHAYSKYMFRQZKP-UHFFFAOYSA-N 368.483 4.975 0 40 FJAB CCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 40478290 RUYLJBDFFJCMCX-UHFFFAOYSA-N 370.250 4.654 0 40 FJAB COc1ccc(CN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C2CC2)cc1 44349822 WFRZHCHMNOPKFI-UHFFFAOYSA-N 369.509 4.575 0 40 FJAB CCOc1cc(CNC(=O)Nc2ccccc2Cl)ccc1OC(F)F 47323072 VZOKYLQLZWPSRO-UHFFFAOYSA-N 370.783 4.662 0 40 FJAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1Cl 58216205 FKTPBJZQVPLWSD-JOCHJYFZSA-N 350.764 4.947 0 40 FJAB O=C([C@@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1)N1CCCCC1 62238482 PWZJKCOWPHNWTN-SFTDATJTSA-N 368.908 4.671 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=S)oc3c2)cc1 79111955 ZUKICBKQGJANLL-SNVBAGLBSA-N 360.460 4.618 0 40 FJAB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)ccc1O 102725653 ZNIHEZQKQKLYRD-QGZVFWFLSA-N 354.406 4.547 0 40 FJAB CC(C)Sc1ccc(CC(=O)N(Cc2ccco2)C2CCOCC2)cc1 206672490 CJAMJPSKMKQYNP-UHFFFAOYSA-N 373.518 4.530 0 40 FJAB CCOc1ccc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585097 FHQLGAMIVMCAMV-UYHISHBKSA-N 373.909 4.723 0 40 FJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223083344 JOIRYZBXXIJBKC-JOCHJYFZSA-N 351.490 4.774 0 40 FJAB O=C(Cc1ccc(F)cc1)NCCSCc1ccc(Cl)c(Cl)c1 223191051 PYDMKRDPPDEDLN-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c3c(cccc13)CC2 224292618 ICJCDEFHWCRLCH-CYBMUJFWSA-N 351.833 4.998 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224813487 JEWLYUDOWUELIZ-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2)cc1 224919846 DZKGUNFQHHLPLX-KRWDZBQOSA-N 360.457 4.846 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C 225574677 LPPUVZYAFKDPOK-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344670 UNKIAPRQRFYBLN-UHFFFAOYSA-N 355.608 4.977 0 40 FJAB CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1 253470977 AIPKBYLCRXMHIO-KRWDZBQOSA-N 363.335 4.569 0 40 FJAB O=C(Nc1ccccc1)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 257300065 RSSYSCGFANWRQX-XMMPIXPASA-N 356.469 4.515 0 40 FJAB CC1(C)C[C@]2(CCCN2CCc2ccccc2)CN1c1ccc(F)cc1 2037989010 RGVLBDCAMPKNTF-HSZRJFAPSA-N 352.497 4.892 0 40 FJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccccc1 1454787 DXIWXKBMLGDNQJ-UHFFFAOYSA-N 356.377 4.722 0 40 FJAB biogenic Cc1ccc(F)cc1NC(=O)CCCOc1ccc(Br)cc1 2621168 CAZHINBJSZAPBJ-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB CC(C)C(=O)Oc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C 3029333 FCKATFUXLOPKQT-QHCPKHFHSA-N 363.457 4.778 0 40 FJAB biogenic O=C(COC(=O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1Cl 3239733 UCXHYRMXLVGXIU-UHFFFAOYSA-N 361.583 4.826 0 40 FJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(C(C)(C)C)cc1)CC2 5428146 KXMHNXWUXBEZDH-OAHLLOKOSA-N 367.489 4.761 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1F 5527214 DHXGOKOIMBCARQ-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2)N1c1ccccc1 6691050 KUMAQABVUFGWPC-QFIPXVFZSA-N 369.399 4.966 0 40 FJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 7419665 AYGWIPTVNYLHGN-JTQLQIEISA-N 371.441 4.533 0 40 FJAB COc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3[nH]2)cc1 8020519 PTWUDTVDSHAMCW-UHFFFAOYSA-N 371.440 4.727 0 40 FJAB CC[C@@H](C)N(C(=O)CCc1c(C)noc1C)c1nc2ccccc2s1 8405304 AWTNOUMAYMWXJI-GFCCVEGCSA-N 357.479 4.665 0 40 FJAB Cc1ccc(S(=O)(=O)N=[S@](c2ccccc2)c2ccccc2C)cc1 8576125 OCEOKSRLEDBGRQ-DEOSSOPVSA-N 369.511 4.912 0 40 FJAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1Cl 9274868 OCOGALBAJZAEDI-UHFFFAOYSA-N 368.607 4.949 0 40 FJAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3cccs3)oc2c1C 9306635 HBGMEDCDRRIWHL-UHFFFAOYSA-N 353.403 4.722 0 40 FJAB Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)c1 10184372 FEBGCCSYFGRLCF-UHFFFAOYSA-N 364.518 4.756 0 40 FJAB Cc1nc(C)c2c(C)c(C(=O)N[C@H](c3cccs3)C(C)C)sc2n1 12796418 SLOQEJGLZFZPJR-HNNXBMFYSA-N 359.520 4.805 0 40 FJAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 13390785 UNDYBPGMBYGXFO-UHFFFAOYSA-N 361.397 4.525 0 40 FJAB CCCCOc1ccc(Br)cc1C(=O)NCc1ccccc1 14649272 QMJFBYHACQIWIK-UHFFFAOYSA-N 362.267 4.558 0 40 FJAB Clc1ccc(OCc2ccccc2Cl)c(CNC[C@@H]2CCCO2)c1 16449952 GMDYYQSQBJXFRT-KRWDZBQOSA-N 366.288 4.841 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccccc1Cl 19931718 DTTVXNKWZFGMBZ-LJQANCHMSA-N 359.897 4.863 0 40 FJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 21596373 TWAOLLWCDWKYOT-UHFFFAOYSA-N 362.882 4.991 0 40 FJAB CN(C)CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 22075218 KZUPANKDOJATNL-UHFFFAOYSA-N 368.908 4.723 0 40 FJAB CC1CCN([C@@H](CNC(=O)c2ccc(Cl)s2)c2cccs2)CC1 27573592 ZZTWIABBUYLBKZ-ZDUSSCGKSA-N 368.955 4.666 0 40 FJAB Fc1ccc(-c2nc(CSc3ccccc3Br)no2)cc1 31626640 HHIHNOLLUFGDAS-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB Cc1ccccc1NC(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610655 NFICLVBYBBFINV-UHFFFAOYSA-N 374.803 4.665 0 40 FJAB COc1cccc2c1N(C(=O)c1sc(-c3ccc(C)o3)nc1C)CCC2 33167867 CIHQQVPBYSIOKO-UHFFFAOYSA-N 368.458 4.622 0 40 FJAB Cc1nc2ccccc2nc1CSc1nc(Cc2ccccc2)c(C)[nH]1 36823488 DTXCYJSJPIOQGS-UHFFFAOYSA-N 360.486 4.853 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C)cc1C 38500995 BTCVUKMDPHYNOP-UHFFFAOYSA-N 367.424 4.669 0 40 FJAB Cc1cccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC2(C)C)c1 45933119 KBISNYIXYYUNSY-UHFFFAOYSA-N 356.878 4.657 0 40 FJAB C[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1 57322913 WVFGTSUWCWKEHA-MRXNPFEDSA-N 364.420 4.907 0 40 FJAB COC(=O)c1ccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)cc1 58131982 DFIXQGAEENSAMO-KRWDZBQOSA-N 358.463 4.588 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72229961 PRSCAAYHWQUDEO-HXUWFJFHSA-N 367.832 4.683 0 40 FJAB Clc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333536 MYESLEFHTJQJMB-UHFFFAOYSA-N 370.909 4.974 0 40 FJAB CCc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 75244737 UVIIPASSIRRPPV-UHFFFAOYSA-N 359.469 4.857 0 40 FJAB C[C@@H](SCC(=O)N(C)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 97610296 NRFDVZHTKQQDLZ-CYBMUJFWSA-N 373.909 4.669 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218984453 SPWZSDBTUUUBAI-UHFFFAOYSA-N 359.425 4.957 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1cccc(Cl)c1 222632182 HREIGVAZFGRICI-MRXNPFEDSA-N 360.841 4.773 0 40 FJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C(C)C 222915637 BLXYMHPEQKJSOF-PMACEKPBSA-N 370.566 4.709 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219604 NJWHFQARKBPPQM-XOBRGWDASA-N 357.881 4.864 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccccc1Cl 223722155 IVYSKISLWYATRZ-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3c(C)cc(C)cc3C)o2)c1 224850258 OSEKYOPNWWGUED-UHFFFAOYSA-N 364.445 4.847 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1C 225758966 DSUKJAVVFCBVAS-IBGZPJMESA-N 367.518 4.560 0 40 FJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)nc1 225908062 IJPGPZNUHHHVBQ-HXUWFJFHSA-N 350.503 4.965 0 40 FJAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2-c2ccc(C(=O)O)o2)c1 226356603 FMJZHAGFGHLOPX-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB C[C@H](C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1)n1cccc1 1626636131 NPAAZFMVYMXUBV-OAHLLOKOSA-N 364.411 4.696 0 40 FJAB O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccccc1 668071 NAAIHWKMAIVYNK-NRFANRHFSA-N 373.452 4.562 0 40 FJAB O=C(NCc1ccccc1)c1ccc(COc2ccc(Cl)cc2)cc1 704432 CPPALZIVXHCURO-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB biogenic COc1cccc2cc(-c3csc(Nc4ccc(F)cc4)n3)c(=O)oc12 856342 XKPMRCTZYDZJBI-UHFFFAOYSA-N 368.389 4.808 0 40 FJAB Cc1ccc(C(=O)Cn2c3ccccc3n3nc(-c4cccs4)nc23)cc1 976794 SEKXDISXBCGMIA-UHFFFAOYSA-N 372.453 4.604 0 40 FJAB O=C(Oc1cccc2cccnc12)c1cc(Br)ccc1Cl 989646 ODBPQALDWMXBJW-UHFFFAOYSA-N 362.610 4.870 0 40 FJAB O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1C1CCCC1 1024363 FGMOXVLNXGURMK-IECUCWQJSA-N 364.470 4.939 0 40 FJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Cl)cc1 1047557 UTFBTVSPSZZFCR-UHFFFAOYSA-N 365.907 4.836 0 40 FJAB CCOC(=O)c1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1 1735448 ODOKHCXPPWBGAY-UHFFFAOYSA-N 359.838 4.779 0 40 FJAB CC(=O)CSc1nnc(CN2c3ccccc3Sc3ccccc32)o1 2581612 BMHOEHGCGJNQIQ-UHFFFAOYSA-N 369.471 4.554 0 40 FJAB CC(C)CC(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3053181 OSWRSSMNRVWURR-GFCCVEGCSA-N 358.096 4.611 0 40 FJAB O=C(Cc1cccc2ccccc12)NCCc1ccc(C(F)(F)F)cc1 3342194 NELGKRWHKAXCEO-UHFFFAOYSA-N 357.375 4.760 0 40 FJAB CSc1ccc(Cl)c(C(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)c1 3344888 HDWJWOKIUTZXJM-OAHLLOKOSA-N 374.937 4.721 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccc(F)cc2s1 3449033 ZHRIRODZTKAWIB-UHFFFAOYSA-N 353.422 4.878 0 40 FJAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc(Br)cc1 4893281 GVXQARDIQPGJAM-UHFFFAOYSA-N 363.236 4.726 0 40 FJAB COC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 6288505 LMXIYSCQYIWYCH-UHFFFAOYSA-N 355.246 4.589 0 40 FJAB Cc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 6811721 HLNNTDPHQMHVJG-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 7790007 YLABMYGPWBXFQK-NSHDSACASA-N 355.381 4.833 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1occc1COc1ccccc1 8735254 ZROUCKPRCCHMBL-UHFFFAOYSA-N 357.793 4.773 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)CCc3ccccc3)ccc21 9164750 HRRQHHZXXYAHSM-UHFFFAOYSA-N 364.489 4.583 0 40 FJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H]1c1nc2ccccc2s1 9219601 IXYTXZGLRNKFNO-SFHVURJKSA-N 374.469 4.664 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc3c4c(cccc24)CC3)c1 9339309 NLZXQETYQNIKQW-AWEZNQCLSA-N 358.441 4.580 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)cc1 10213588 KEGWWKNEPNIVDS-UHFFFAOYSA-N 374.492 4.884 0 40 FJAB O=C(c1cccc2cccnc12)N1CCC[C@H](c2nc3ccccc3s2)C1 12891381 FZRQKOROMXAWCH-INIZCTEOSA-N 373.481 4.864 0 40 FJAB O=C(C1CC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 12953554 CIPOTEZEJGNLRI-UHFFFAOYSA-N 352.434 4.892 0 40 FJAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccc(Cl)cc1 12985748 CNPPYIFRHOJBTR-UHFFFAOYSA-N 366.800 4.752 0 40 FJAB Cc1ccc(SCC(=O)NCCSCc2cccc(Cl)c2)cc1 20239986 GJNSRESKHURHOG-UHFFFAOYSA-N 365.951 4.790 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)cc1 21580240 XFXPJQZNNQEVEM-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@H]1C(F)(F)F 24990095 NYYVWAITVWETMY-ZWNOBZJWSA-N 354.199 4.773 0 40 FJAB CCCc1cc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)sc1C 32930679 LPHIFLDXAMMJKM-UHFFFAOYSA-N 356.491 4.918 0 40 FJAB O=c1oc2cc3occ(-c4ccc5c(c4)OCCCO5)c3cc2c2c1CCC2 36360822 YDRZWVFGOUYSQR-UHFFFAOYSA-N 374.392 4.856 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 38860493 JFTFDHDKQYXONA-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB Cc1ccc2c(CN(Cc3ccco3)Cc3ccco3)cc(=O)oc2c1C 57710365 QVCZSCWPHXXLCV-UHFFFAOYSA-N 363.413 4.798 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 58404098 MBZQHWNZTWMXFN-IBGZPJMESA-N 366.848 4.580 0 40 FJAB Cc1csc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 58432338 RVWJWSVHNFVPMX-SFHVURJKSA-N 354.500 4.601 0 40 FJAB O=C(NCc1ccnc(N2CCCC2)c1)Nc1ccccc1-c1ccccc1 71849596 LSXJKFJZZDPZEO-UHFFFAOYSA-N 372.472 4.671 0 40 FJAB FC(F)(F)[C@@H]1CCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2 95949234 RNBSEUIBRXSCPW-TZMCWYRMSA-N 363.807 4.712 0 40 FJAB C[C@@H](NCc1cccc(Cl)c1)c1onc(-c2ccccc2)c1C(=O)O 96296883 NEUBZNWECKQSCF-GFCCVEGCSA-N 356.809 4.544 0 40 FJAB biogenic,in-vitro O=C(Nc1nc2ccc(F)cc2s1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102093775 IGWZYGORVAHPBY-BASMTZLZSA-N 364.873 4.952 0 40 FJAB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 213991550 WGKPFHKCHNTRRE-VOTSOKGWSA-N 354.189 4.828 0 40 FJAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(F)cc1Cl 216830334 IQKAEIJBCDRDKG-UHFFFAOYSA-N 373.207 4.897 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219554918 NRHKPQGFDTWNJA-IBGZPJMESA-N 353.506 4.943 0 40 FJAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 219863517 JCJOKXXQODRZME-IBGZPJMESA-N 350.506 4.706 0 40 FJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)S1 222603041 KTRZODFBJTXRRP-KYNGSXCRSA-N 352.507 4.588 0 40 FJAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 223738687 HPMKHNKUZCPPRT-UHFFFAOYSA-N 361.466 4.814 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223903583 HKAPFQQQDQMWAQ-CQSZACIVSA-N 365.395 4.913 0 40 FJAB C[C@H](NC(=S)Nc1ncc(Br)cc1Cl)c1ccccc1 223954368 WXZBBWJDQAUFCY-VIFPVBQESA-N 370.703 4.545 0 40 FJAB O=C(CCc1ccc(Cl)cc1Cl)NCCCOC1CCCCC1 225377432 ATPHASRYTKETAI-UHFFFAOYSA-N 358.309 4.782 0 40 FJAB O=C(NCc1cncc(-c2cccs2)c1)c1cc2ccccc2s1 225666847 YBHHYXXNHMHVIG-UHFFFAOYSA-N 350.468 4.955 0 40 FJAB Cc1ccc(C2(C(=O)Nc3ccc(OC4CSC4)cc3)CCCC2)cc1 225933407 GRJCCKGYXBSJJQ-UHFFFAOYSA-N 367.514 4.940 0 40 FJAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc(Cl)c3)oc12 226270573 NQYVMTADJKBBFS-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N(Cc1ccc(Cl)cc1)Cc1cccnc1 247799479 FBMUGLXSPSWBRF-PMOLBWCYSA-N 354.881 4.700 0 40 FJAB Cc1oc2ccccc2c1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 329451053 OTSKWPLKWNHXNG-UHFFFAOYSA-N 373.456 4.712 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccccc1 408706072 UQPLDBKTKYQEPI-INIZCTEOSA-N 357.519 4.660 0 40 FJAB COc1ccc(CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)cn1 1624861057 WKQHMSBHRANBEU-UXHICEINSA-N 366.505 4.502 0 40 FJAB O[C@H](c1ccc(Br)cc1)[C@@H](CN1CCCCC1)c1ccccc1 1241348 QRMKWWYZRHOYBC-VQTJNVASSA-N 374.322 4.752 0 40 FJAB C[C@H]1CCCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 2735140 MRGJXMGXQNYXHC-IBGZPJMESA-N 362.517 4.690 0 40 FJAB CSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2738783 SLQWJXBZEOVCQM-HNNXBMFYSA-N 374.828 4.556 0 40 FJAB COc1ccccc1OCCNC(=O)/C=C/c1ccc(-c2ccccc2)cc1 3073521 UNWKBJKJUYGYCZ-DTQAZKPQSA-N 373.452 4.571 0 40 FJAB O=C(C(=O)N(Cc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 4163184 QWHQJKDCHHYHOG-UHFFFAOYSA-N 354.409 4.584 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1C 4224456 QZGKQOPQTFYKKG-UHFFFAOYSA-N 355.488 4.550 0 40 FJAB COc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1 4496628 DBHMTYKNNFSACZ-UHFFFAOYSA-N 356.472 4.550 0 40 FJAB Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)c1 5545752 JFTRLLVIXLKLSP-GOSISDBHSA-N 369.468 4.884 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 6185006 UUYJZWKYVOSLHD-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OCC 6259628 WEUTUAXXFILISM-UHFFFAOYSA-N 367.367 4.684 0 40 FJAB O=C(Cn1cc(SCc2cccc(F)c2)c2ccccc21)N1CCCC1 6867205 KXGUDFYGHSCORF-UHFFFAOYSA-N 368.477 4.695 0 40 FJAB O=C(NCCc1ccccc1)C1(Cc2nc3ccccc3s2)CCCC1 6881237 FQBCBQQXICEUAZ-UHFFFAOYSA-N 364.514 4.758 0 40 FJAB CCCCn1nnnc1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7262178 USWLRFPORSAGEQ-UHFFFAOYSA-N 366.252 4.652 0 40 FJAB Cc1cccc(C)c1OC(=O)c1ccc(OCc2c(C)noc2C)cc1 7657830 OAFWMNYBRRNPEL-UHFFFAOYSA-N 351.402 4.706 0 40 FJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1c(F)cccc1Cl 7699570 QNQPTLSFHQUQQT-CSKARUKUSA-N 361.203 4.787 0 40 FJAB O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 8004895 DPXVQMBJFAGRGC-KRWDZBQOSA-N 369.465 4.601 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C 8105629 HGIAMIAXBIXAAE-KRWDZBQOSA-N 350.487 4.933 0 40 FJAB Cn1c(-c2ccccc2)c([C@@H]2NC(=O)c3ccccc3N2)c2ccccc21 8720922 NVXSNXZLTIQOQO-QFIPXVFZSA-N 353.425 4.699 0 40 FJAB CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 9077124 RJMXEMWWSHKLRM-IBGZPJMESA-N 358.413 4.506 0 40 FJAB COc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 9423522 NIGPLFQTQYHXNL-NRFANRHFSA-N 362.404 4.601 0 40 FJAB Cc1cccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1C 11114855 OBZXRVLPBRVJFE-NRFANRHFSA-N 350.487 4.683 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 12533307 LCXVVVYRCDJYQJ-AWEZNQCLSA-N 364.411 4.584 0 40 FJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12578542 WATPKWQHYRYOOI-LNENJAERSA-N 369.827 4.732 0 40 FJAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nc(C)c1C 12778616 WMNSZSPJURSJEP-HNNXBMFYSA-N 363.502 4.867 0 40 FJAB COc1ccccc1-c1cc(COc2ccc(F)c3c2C(=O)C[C@H]3C)on1 12950143 YNXGZYLGGFBKSU-GFCCVEGCSA-N 367.376 4.758 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1F 12992088 CAHNQPGOISPNQE-OAHLLOKOSA-N 354.450 4.764 0 40 FJAB C[C@H](N[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccccc1 13898466 DXSUACXFCFLVGJ-KSFYIVLOSA-N 360.432 4.831 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)Oc1ccccc1 13959198 UIYFHSRQBGZMCV-UHFFFAOYSA-N 372.424 4.891 0 40 FJAB Cn1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2ccccc21 15038115 RYOPMBUDHNHYAA-UHFFFAOYSA-N 354.500 4.909 0 40 FJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2ccccc12 15445961 JLPWIRKHZQJNMW-UHFFFAOYSA-N 372.390 4.929 0 40 FJAB Cc1cccc(Nc2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)c1 17135451 BLQXJFHYSRWCHO-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB COc1cc(C)c(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC 17345555 HQKHXHQMPZONHS-UHFFFAOYSA-N 358.196 4.710 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)NCCCOc1ccccc1 23040938 DKZGQOINNWXXJP-UHFFFAOYSA-N 359.425 4.714 0 40 FJAB COc1ccc(OC)c(C(=O)CSc2nc(-c3ccccc3)cs2)c1 26040214 HYIIYCBYFWFDNZ-UHFFFAOYSA-N 371.483 4.802 0 40 FJAB COc1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 26456905 JGIQZQMNWGYZMV-UHFFFAOYSA-N 357.881 4.519 0 40 FJAB Cc1cc(COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)on1 27005354 FTNPVBHQCDGUOF-UHFFFAOYSA-N 371.443 4.755 0 40 FJAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 28290428 AKCGMGLNUUYDRB-IBGZPJMESA-N 354.494 4.534 0 40 FJAB Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 31038058 KKTLBYDIKJGYMH-NRFANRHFSA-N 355.441 4.585 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 32676076 GUFFXEUINYLJFT-UHFFFAOYSA-N 358.441 4.800 0 40 FJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc(F)c1 33731071 ZBOJUOCXHQKYNG-UHFFFAOYSA-N 373.493 4.965 0 40 FJAB CC(=O)c1nnc(-c2oc3ccccc3c2C)n1Nc1ccc(Cl)cc1 36649160 JUJSSBXVPQTLDS-UHFFFAOYSA-N 366.808 4.731 0 40 FJAB Cc1nc(COc2cccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c2)cs1 40012759 NNFBEMHJOLMMPJ-UZLBHIALSA-N 370.518 4.825 0 40 FJAB O=S(=O)(O)c1ccc2c(c1)Cc1nc3ccccc3c(-c3ccccc3)c1-2 72265532 NOEOCXJMGCLLAE-UHFFFAOYSA-N 373.433 4.720 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)cc1C 72427507 ZMNCOPCSTQCGCA-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB Cc1c(COc2ccccc2)cccc1NCc1ccc([S@](C)=O)cc1 85331320 MXFBVWZZAKKYEM-AREMUKBSSA-N 365.498 4.924 0 40 FJAB CC(C)[C@@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 95101107 DMEITRWKYQAHAB-QHCPKHFHSA-N 353.506 4.555 0 40 FJAB CC(C)(C)C(=O)N1CCC(NCC2(c3cccc(F)c3)CCCCC2)CC1 95402996 KAQPMCFAAHNYON-UHFFFAOYSA-N 374.544 4.654 0 40 FJAB Cc1cnc(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)s1 102096355 DKCINRJFPNDVNQ-RBAVJSINSA-N 369.328 4.514 0 40 FJAB O=C(NCCSCc1ccccc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103879644 NHGVMWJFJHGFHU-NXMBOHNASA-N 363.954 4.614 0 40 FJAB Brc1cccc(-c2nc3cc(CN4CCCC4)ccc3o2)c1 216839081 JURJODJRBLXGMZ-UHFFFAOYSA-N 357.251 4.853 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(CC)Cc1ccccc1 222620325 FGGBCQFISPNTQL-QFIPXVFZSA-N 351.490 4.772 0 40 FJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 222838848 ONSUKXKUOKSFRP-PMACEKPBSA-N 368.550 4.769 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(Cl)cc2F)cc1 224354352 QZUOUUKBSVQXSQ-LJQANCHMSA-N 363.860 4.934 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)c2cccc(OC)c2OC)c2ccccc2O1 225050934 OLIFXPDQGVCRDU-QGZVFWFLSA-N 369.461 4.516 0 40 FJAB COC(=O)c1ccc(CCc2ccccc2)n1Cc1ccc(Cl)cc1 226029078 HGBGDMYDJWFRRC-UHFFFAOYSA-N 353.849 4.762 0 40 FJAB CCOc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc2sc(N)nc12 226309838 JSXBJKXIRWDXRR-UHFFFAOYSA-N 369.490 4.827 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(C)C 408680176 OYUWNXVLHBSDDF-UHFFFAOYSA-N 355.459 4.773 0 40 FJAB CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 409016156 USXQPOYUNXMDRB-RSYJBZMQSA-N 369.870 4.582 0 40 FJAB Fc1ccc([C@@H]2CC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 528084087 UNOKYQAWJSQGTQ-ZWKOTPCHSA-N 364.424 4.532 0 40 FJAB C[C@H](Cc1csc2ccccc12)NC(=O)C1(c2ccc(F)cc2)CC1 575619313 CZURRLDLYDMRRG-CQSZACIVSA-N 353.462 4.819 0 40 FJAB O=C(NCC[C@H](CCO)c1cccs1)c1ccc(-c2ccsc2)cc1 575619520 GOIXIBMMGIEKTK-MRXNPFEDSA-N 371.527 4.763 0 40 FJAB CC(=O)c1c(C)cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)cc1C 1563232838 HUHIFLXCNXGINV-UHFFFAOYSA-N 363.461 4.660 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccccc2F)CN1c1cccc(F)c1 1615160425 ZZFWJUHSYOFNJY-JOCHJYFZSA-N 370.443 4.629 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccc(Cl)s1 1775977196 GSDBPZGJIGWFLE-ZDUSSCGKSA-N 363.891 4.593 0 40 FJAB CCc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1CCCC2 658251 XQVDYGIVRMSCJC-UHFFFAOYSA-N 352.507 4.671 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 846097 XVOSDQNXSRHVRH-UHFFFAOYSA-N 358.397 4.821 0 40 FJAB COc1cccc2cc(-c3csc(Nc4ccc(C)cc4)n3)c(=O)oc12 856334 ZGKPNMQMBNJZTR-UHFFFAOYSA-N 364.426 4.977 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cc(C)cc(C)c2)c1 1001555 FXUUDUFPPNFIHZ-UHFFFAOYSA-N 374.868 4.713 0 40 FJAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 1447583 FYTIXKYKTCFXFY-QGZVFWFLSA-N 372.472 4.843 0 40 FJAB CCc1ccc(N2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)cc1 2446287 NRXJYEMCLMKCBL-UHFFFAOYSA-N 369.848 4.982 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)c1 2723022 WFHXCUHMHFAABL-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB CCCCCCc1nnc(NC(=O)c2ccc(Br)cc2)s1 3016589 KOEIUYNSKJJPDH-UHFFFAOYSA-N 368.300 4.676 0 40 FJAB COc1ccc2nc(NC(=O)CCCc3c[nH]c4ccccc34)sc2c1 3400125 IGJJTRYRZKXWAP-UHFFFAOYSA-N 365.458 4.748 0 40 FJAB COc1ccc(/C=C/C(=O)N2c3ccccc3CO[C@H]2c2ccccc2)cc1 3642874 VELZGTWAIKKLDM-LXGWOEDASA-N 371.436 4.971 0 40 FJAB COc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1 3655969 VZZHRNXKXBUANI-UHFFFAOYSA-N 361.397 4.553 0 40 FJAB CCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033335 JMHVEFDYDYOKHU-ZDUSSCGKSA-N 373.378 4.596 0 40 FJAB CSc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N2C)cc1 5601491 OPWRXYSALLGSCN-PDGQHHTCSA-N 368.527 4.630 0 40 FJAB CCOC(=O)C(=O)CC1=Nc2ccccc2S[C@H](c2cccc(C)c2)C1 5808838 SCRALNSBOGCTGP-FQEVSTJZSA-N 367.470 4.827 0 40 FJAB CC1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 6348810 UOOZYVDZUHEKJT-UHFFFAOYSA-N 373.294 4.938 0 40 FJAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc21 6566764 ZLCBNLNLZMFNQJ-UHFFFAOYSA-N 366.273 4.611 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580336 PSKWZLOCLPVUBW-UHFFFAOYSA-N 374.893 4.944 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 8011097 QHAMWXLKUKPDDC-UHFFFAOYSA-N 359.473 4.549 0 40 FJAB CCCN1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1 8271930 RCQAORBLCSOSJD-UHFFFAOYSA-N 352.507 4.645 0 40 FJAB COc1ccccc1-c1nc(CSc2nnc(SC)s2)cs1 8709018 CJGBWDHORPJCSX-UHFFFAOYSA-N 367.546 4.684 0 40 FJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCCCC3)cc21 8959757 OXZRPPLJIPQCGY-UHFFFAOYSA-N 372.509 4.613 0 40 FJAB Clc1ccccc1-c1nnc2sc(-c3ccc4ccccc4n3)nn12 9547004 WTPYYDZILKRIKI-UHFFFAOYSA-N 363.833 4.721 0 40 FJAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)C(C)(C)C)ccc3o2)cc1 9660015 JTQYYVNMCWBXES-UHFFFAOYSA-N 365.429 4.843 0 40 FJAB biogenic Cc1ccc(C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)c(C)c1 10932410 QXOLQDALOGALHW-UHFFFAOYSA-N 369.490 4.635 0 40 FJAB Cc1nc2ccc(C(=O)N[C@H](c3ccncc3)c3ccccc3C)cc2s1 12148525 YGFCDCNQQDRTHC-OAQYLSRUSA-N 373.481 4.828 0 40 FJAB CC(C)c1cc(C(=O)N[C@H]2CCc3ccccc32)c2cnn(C(C)C)c2n1 12888157 JJJVAENJGVUANE-IBGZPJMESA-N 362.477 4.553 0 40 FJAB COC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C 13717023 JLVNHYGVPQSVLE-UHFFFAOYSA-N 373.452 4.942 0 40 FJAB CCOc1ccccc1-c1noc(COc2ccc(Cl)cc2C(C)=O)n1 14184457 KCKRQJPPBHYYJB-UHFFFAOYSA-N 372.808 4.570 0 40 FJAB CCCCC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 14258107 FTBKXFMWXPQMBP-UHFFFAOYSA-N 350.466 4.981 0 40 FJAB CN(C)C[C@@H]1CCCC[C@@H]1[C@@]1(O)c2ccccc2CSc2ccccc21 17185480 DYOKEZUEHYQWMK-WCAVRKLYSA-N 367.558 4.896 0 40 FJAB CCn1c(SCc2c(C)nn(-c3ccccc3)c2Cl)nnc1C1CC1 19352948 PHAJPRVZFQDHAD-UHFFFAOYSA-N 373.913 4.615 0 40 FJAB CC(C)C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 19931866 TTYOBGUNVOGHLV-SFHVURJKSA-N 351.899 4.547 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)OC)cc1 20042069 OLNAZLQOAOYRPR-INIZCTEOSA-N 363.866 4.636 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20455018 CQEHNIDCESMJPA-MRXNPFEDSA-N 353.340 4.510 0 40 FJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)[C@@H]1CC=CCC1 26402725 OCMNFBILGUWEJN-JOCHJYFZSA-N 374.528 4.922 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1ccc(C2SCCCS2)cc1 26860502 MDLPVVPDFUJGSF-UHFFFAOYSA-N 350.896 4.856 0 40 FJAB Cc1nc(C)c2c(C)c(C(=O)Nc3nc(C(C)(C)C)cs3)sc2n1 30612398 AIUYVJNYPCQHRM-UHFFFAOYSA-N 360.508 4.623 0 40 FJAB O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(F)cc1F 32789131 XQFXKOZVTDGMFQ-UHFFFAOYSA-N 354.328 4.685 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(C(F)(F)F)nc3)ccc2o1 32818765 UHPJJUHRJCJXDN-UHFFFAOYSA-N 363.339 4.791 0 40 FJAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 38772583 COSWXDZEFFGLKC-CQSZACIVSA-N 363.910 4.578 0 40 FJAB C[C@@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 58026847 QNPGAYSBDFKJNK-LLVKDONJSA-N 371.836 4.757 0 40 FJAB COc1c(C)cnc(CN(C)C(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C 58958174 OOTLCADQZRIRLK-UHFFFAOYSA-N 372.468 4.550 0 40 FJAB C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1csc(-c2ccsc2)n1 75107434 AKVTVCROHKQUPM-KDOFPFPSSA-N 368.527 4.819 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cc1 77271994 GWEMPORFCXPFPI-CQSZACIVSA-N 373.884 4.783 0 40 FJAB CCCN(Cc1ccn(C(C)C)n1)Cc1nnc(-c2ccccc2Cl)o1 80925452 DAJFHBPKFQLLNV-UHFFFAOYSA-N 373.888 4.580 0 40 FJAB O=C(Nc1cccs1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 85562261 JYNMOFXFNNXRGJ-ZDUSSCGKSA-N 357.262 4.660 0 40 FJAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(C)s1 96104772 SJRROSRUDWDFFC-OAHLLOKOSA-N 371.424 4.512 0 40 FJAB Cc1c(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)oc2ccccc12 101014285 BWZRSUFGMPRJNB-OAHLLOKOSA-N 370.246 4.806 0 40 FJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118931535 FKDRTPPOFBKQAT-MHYDGWTMSA-N 374.521 4.813 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 219301801 QLTBPDBVSAZJBX-LJQANCHMSA-N 369.505 4.527 0 40 FJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 223787748 QTNPHTHHYFAVNP-LJQANCHMSA-N 365.517 4.607 0 40 FJAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 224415842 IWHQMOXZTAJZSX-UHFFFAOYSA-N 363.841 4.536 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 225048940 YBRVXPJSWJVWFT-CQSZACIVSA-N 373.865 4.655 0 40 FJAB C[C@H](S[C@H]1CCO[C@@H]1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 533169500 POULPECBIKKTSH-VCBZYWHSSA-N 357.475 4.717 0 40 FJAB O=C(COCc1ccccc1)c1ccc(COc2cc(F)ccc2F)cc1 575358426 UNLRKBOJINCAKP-UHFFFAOYSA-N 368.379 4.943 0 40 FJAB CCCc1ccc(-c2ccc(NC(=O)N(C)C[C@H]3C[C@@H](O)C3)cc2)cc1 626390429 JHVFSMAPIGETHB-UEDWGHLCSA-N 352.478 4.541 0 40 FJAB CCCOc1ccc2c(c1)CCN(C(=O)c1sccc1C(F)F)C2 1127308774 KFQADDGOVCZKLF-UHFFFAOYSA-N 351.418 4.673 0 40 FJAB Cc1cccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615160315 ZCBHIWSRLKBUJQ-QHCPKHFHSA-N 366.480 4.798 0 40 FJAB O=C(NCc1c[nH]c2ccccc12)c1ccc2noc(-c3ccccc3)c2c1 1889224532 ACKIONWQLAGQBN-UHFFFAOYSA-N 367.408 4.906 0 40 FJAB Nc1nc(-c2ccccc2)c(C(=O)Nc2cc(Cl)ccc2Cl)s1 948792 KEBYCSKGPLZHHX-UHFFFAOYSA-N 364.257 4.951 0 40 FJAB Oc1ccc([C@]23CCC[C@@H]2C2(CCCC2)c2ccc(O)cc2O3)c(O)c1 1079807 VVKZOCOBTLMOQJ-IFMALSPDSA-N 352.430 4.703 0 40 FJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2cccc(Cl)c2)cc1 2644766 SXAWDVFDWGXISQ-UHFFFAOYSA-N 370.905 4.939 0 40 FJAB COc1ccc(-c2nnc(SCCOc3ccccc3Cl)o2)cc1 3458832 RMRBSADPVSIODB-UHFFFAOYSA-N 362.838 4.570 0 40 FJAB COCCCNC(=O)c1c(C)c(-c2ccccc2)nc2c(C)cc(C)cc12 4510603 KIJYFVHBFVNANU-UHFFFAOYSA-N 362.473 4.593 0 40 FJAB CN1CCN(c2nc(-c3c[nH]c4ccccc34)c(-c3ccccc3)s2)CC1 5156851 GLVTUGODSKQDEU-UHFFFAOYSA-N 374.513 4.710 0 40 FJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(c2ccccc2C(=O)O)C1=O 5376135 OAFIMLVIHAMRPV-QKIOLIMFSA-N 365.410 4.572 0 40 FJAB O=C(NCc1ccncc1)c1cc(-c2ccccc2Cl)nc2ccccc12 5936949 FSZAKNBEZQPBHG-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(F)cc1F 5971962 QSLMIPWRHPZWSX-UHFFFAOYSA-N 362.426 4.819 0 40 FJAB Cc1ccc(CSCC(=O)NCc2ccc(Cl)cc2Cl)cc1 6284558 PYNCITSLDOPAIL-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2OC)N3)C1 6934495 SUHAUYMPWRTDQG-VOJFVSQTSA-N 372.490 4.709 0 40 FJAB CSc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c1 7777903 QRCCNGUKZXDMQT-UHFFFAOYSA-N 353.487 4.889 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 7929217 CAFXFQIOVJIRSY-GOSISDBHSA-N 365.473 4.694 0 40 FJAB O=C(CCCOc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 8341134 LVECJSJYRIKTLM-GOSISDBHSA-N 366.486 4.819 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1 8424869 QDRXSZPFGGSLIY-SFHVURJKSA-N 351.475 4.509 0 40 FJAB COc1ccc(CCNCc2cccc(OCc3ccccc3F)c2)cc1 8474492 KGJAQRPYRUVZNW-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H]1c1nc2ccccc2s1 9219600 IXYTXZGLRNKFNO-GOSISDBHSA-N 374.469 4.664 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1C 10442245 HGSCCIGGQFEKND-HNNXBMFYSA-N 357.475 4.599 0 40 FJAB CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 12038152 RBFOEVZZTUZFCY-LLVKDONJSA-N 366.280 4.577 0 40 FJAB Clc1cccc(-n2ccnc2SCc2nnc(-c3ccccc3)o2)c1 12556672 YPRYPXOOOHZWJC-UHFFFAOYSA-N 368.849 4.868 0 40 FJAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cc(Cl)ccc1Cl 12924687 DPRJRBVUDWSAKV-CYBMUJFWSA-N 374.314 4.509 0 40 FJAB O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 13223098 YTSSBNADZGMOBZ-UHFFFAOYSA-N 374.827 4.804 0 40 FJAB Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1C 13608682 PTJCIWPJUVPGAD-OAQYLSRUSA-N 369.468 4.596 0 40 FJAB Cc1c(Cl)c(CN2CCN(c3ccccc3)CC2)nc2ccccc12 20677809 KYHOAULIGAJBKF-UHFFFAOYSA-N 351.881 4.519 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(Cl)cc1 21787155 SZQPNWSOBJTBNZ-IBGZPJMESA-N 367.880 4.812 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 27991596 KEOOMOYLOWATGF-UHFFFAOYSA-N 364.420 4.855 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CCc4ccccc43)c12 30980406 VIZGNLZCSHAOEZ-SFHVURJKSA-N 373.412 4.551 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 32882774 VWRDJVWXQKAHDH-UHFFFAOYSA-N 361.401 4.671 0 40 FJAB CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCCCC3)n2)cn1 36614185 ZFMRCYGNBVIRRP-UHFFFAOYSA-N 353.392 4.514 0 40 FJAB COc1ccc2c(c1)c(C(=O)N(C)Cc1cccs1)c(C)n2C1CC1 40079518 XIIHDFMKNOFWSW-UHFFFAOYSA-N 354.475 4.627 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 41077061 HMDAFKDHVPQVKG-UHFFFAOYSA-N 369.852 4.626 0 40 FJAB COc1ccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)cc1OC 43266833 OFUMHSDPKBSJSB-SFHVURJKSA-N 360.479 4.818 0 40 FJAB COc1cc(Br)c2oc(-c3ccc(N)cc3Cl)nc2c1 45920212 QEXMHHMBGHYWJU-UHFFFAOYSA-N 353.603 4.502 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C[C@@H]3c3ccncc3)ccc21 58248699 MTQPAAPRNRESIW-UYAOXDASSA-N 355.441 4.952 0 40 FJAB Cn1nc(C(F)(F)F)c(C=O)c1SCc1sccc1C(F)(F)F 64220293 VHIOCGHEPHBUKC-UHFFFAOYSA-N 374.331 4.624 0 40 FJAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H](C)CCC[C@@H]3C)cc2F)n1 76069310 IOYSVQIHZHRSSL-HIFRSBDPSA-N 358.461 4.671 0 40 FJAB O=C1CCCN1c1ccccc1NCc1cnoc1-c1ccc(Cl)s1 95972081 DCONVPBOVOOJKG-UHFFFAOYSA-N 373.865 4.795 0 40 FJAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccc(C(C)(C)C)cc1)n2C 100819093 WOHBVOWUFDPDSL-LSDHQDQOSA-N 352.503 4.895 0 40 FJAB COc1cccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)c1 100981001 IIENEJIWEHGATJ-QGZVFWFLSA-N 373.243 4.650 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219312911 GYQLPVVVADLGMQ-ZWKOTPCHSA-N 353.462 4.571 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc2ccccc2o1 221151430 KKJZVXIVTDAMFC-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 224379483 GFTUNGIAJNACDC-UHFFFAOYSA-N 366.461 4.683 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cc2ccncc2)cc1 225172417 VSRDNHXBCSBKEX-UHFFFAOYSA-N 372.468 4.569 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225582253 NBVJPQMXUSOUAE-MRXNPFEDSA-N 373.488 4.646 0 40 FJAB Cc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1 225782883 ARCWAHUWXIOQBA-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB NC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226334072 YCYNEQDMDCYURR-ZZXKWVIFSA-N 356.636 4.724 0 40 FJAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(N3CCCCC3)cc1F)OC2(C)C 257216163 CTKQAVKEUPJSJM-JUYJLUJKSA-N 361.501 4.689 0 40 FJAB COc1ccccc1-c1cc(-c2ccc(C(=O)O)cc2)nn1CC(C)C 257306249 STLGNIYXRHPPAI-UHFFFAOYSA-N 350.418 4.580 0 40 FJAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408698001 KWEJTCSVVGWVFT-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCCc2ccccc21 1264068371 MUJGVMKUGBCGKS-UHFFFAOYSA-N 372.255 4.772 0 40 FJAB Cc1cccc(C2(C(=O)Nc3nnc(-c4ccccc4)s3)CCCC2)c1 1524738502 RJVQEUFWDDFJSR-UHFFFAOYSA-N 363.486 4.964 0 40 FJAB Cc1cnc(Nc2cccc([C@H]3CN(CC4CCCCC4)CCO3)n2)s1 2037834572 QYXKYELEFIUMQH-GOSISDBHSA-N 372.538 4.544 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 848986 RUECJABHDUPGNA-SDNWHVSQSA-N 369.424 4.890 0 40 FJAB COc1ccccc1OCc1nnc(SCc2ccc(Cl)cc2)o1 876159 AAQFPJMDHSBPHC-UHFFFAOYSA-N 362.838 4.603 0 40 FJAB COc1ccc([C@@H](O)[C@@H](CN2CCCCCC2)c2ccccc2)cc1F 1250081 DUCPMFSDYMOYQG-SIKLNZKXSA-N 357.469 4.528 0 40 FJAB Cc1nn(C)c(Sc2cccc(Cl)c2)c1C(=O)Nc1ccccc1 1401155 JJYBNHULQKQHJG-UHFFFAOYSA-N 357.866 4.785 0 40 FJAB Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 1780651 HWRIRNWRJZOCQL-INIZCTEOSA-N 366.530 4.966 0 40 FJAB CCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 2222759 WSCWZPQRXUGPQD-UHFFFAOYSA-N 364.836 4.819 0 40 FJAB O=c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c[nH]1 3051204 YCIKEBQSQDNQKJ-UHFFFAOYSA-N 370.239 4.747 0 40 FJAB O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)c1ccccc1 3228820 UUVBURLOVLHNFD-UHFFFAOYSA-N 355.242 4.512 0 40 FJAB O=C(COC(=O)c1ccccc1Cl)c1ccc2c(c1)-c1ccccc1C2 3322734 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O=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 20140389 BTSAWYBIIIASMX-UHFFFAOYSA-N 373.767 4.619 0 40 FJAB COc1ccc(-n2nc(Nc3ccc(C)cc3)c3c2C[C@@H](C)CC3=O)cc1 20796855 WFMFWTJPIUKAQS-OAHLLOKOSA-N 361.445 4.698 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](c3ccc(F)cc3)C(C)C)c12 22139234 FTWOKHNJDCQNEX-LJQANCHMSA-N 367.424 4.675 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@@]3(C)CC3(Cl)Cl)n2c1 22191558 YGXDWUQIXLVITH-GOSISDBHSA-N 374.271 4.832 0 40 FJAB CCN(C(=O)c1nc(Cl)ccc1Cl)c1nc2ccccc2s1 26906342 GCNITLRTYNSTMH-UHFFFAOYSA-N 352.246 4.665 0 40 FJAB CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32622987 FQGKUMHESLLZRM-UHFFFAOYSA-N 353.397 4.917 0 40 FJAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)cc1F 36617422 ZBEZTXGJYWPYAQ-UHFFFAOYSA-N 351.381 4.677 0 40 FJAB O=C(Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1)N1CCCCC1 41127652 GHIKIYUYMDQORS-UHFFFAOYSA-N 354.837 4.703 0 40 FJAB COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1Cl 41304316 SFBHSNSOOACKIO-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)nc2c(C(C)C)cccc12 48261068 ICRKHZKOQFPCFQ-UHFFFAOYSA-N 365.521 4.505 0 40 FJAB Cc1ccccc1CNC1(c2cccc(Br)c2)CCOCC1 65604375 MCSDCTQTPVGGCT-UHFFFAOYSA-N 360.295 4.553 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1C[C@H]1c1ccco1 70017425 PXRROMDHVHEBKK-BDAKNGLRSA-N 350.852 4.860 0 40 FJAB OCc1cccc(-c2cccc([C@@H]3CCCN(CCc4ccccc4)C3)n2)c1 72348692 SUPKLKSOTBMHGQ-HSZRJFAPSA-N 372.512 4.663 0 40 FJAB CC[C@@H](NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1)c1ccncc1 74442085 ALCUVONTGMAHQP-HXUWFJFHSA-N 374.488 4.821 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2c(C)cc(C)cc2O)cc1 100684236 YGDBXVQZDIXVOD-QFIPXVFZSA-N 371.436 4.902 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 219852757 AJCHRUYKJFERRV-UHFFFAOYSA-N 362.395 4.869 0 40 FJAB CSc1cccc(NS(=O)(=O)c2cc(Cl)ccc2SC)c1 223438080 MQIUIWBRCCUGDA-UHFFFAOYSA-N 359.925 4.585 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1cnc(Oc2ccccc2F)nc1 224289930 QFHUHODGWPIVIX-UHFFFAOYSA-N 358.760 4.705 0 40 FJAB CC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224298236 IGTAYYROIPCPSK-INIZCTEOSA-N 363.457 4.956 0 40 FJAB CCc1ccc(OCCNC(=O)[C@H](C)Cc2cccc3ccccc23)cc1 224942675 YLSSQIBTJZTKPQ-GOSISDBHSA-N 361.485 4.776 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225367444 FJPLHHMTTDLAGM-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225377639 YEBJKCKVWHWIRX-CQSZACIVSA-N 366.288 4.818 0 40 FJAB CC[C@H]1N=C(c2ccccc2F)c2cccn2-c2cc(OC)c(OC)cc21 225378140 VHVCIOSFRUYMKU-QGZVFWFLSA-N 364.420 4.936 0 40 FJAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 226335506 HLXXNXDQNKDNMQ-CMDGGOBGSA-N 364.800 4.643 0 40 FJAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cc(-c2ccccc2)on1 390827499 YSVYWRVRTTWGSY-GOSISDBHSA-N 366.467 4.984 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1 408713366 VLDXUFOUPXFZSV-UHFFFAOYSA-N 364.470 4.698 0 40 FJAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1cccc(Cl)c1Cl 408804060 CLXOHZGNFVJSLB-UHFFFAOYSA-N 368.240 4.895 0 40 FJAB 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WFFADIPGZHPCFZ-UHFFFAOYSA-N 361.779 4.673 0 40 FJAB CCCc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)sc1C 28937329 KLZIRFJHYSDXOW-UHFFFAOYSA-N 367.518 4.905 0 40 FJAB CCN(CC)Cc1cccc(NC(=O)c2cc3cc(C)ccc3nc2C)c1 31531463 WFDUIKZYQMCFNV-UHFFFAOYSA-N 361.489 4.946 0 40 FJAB CN1CCC(NCC[C@](C)(Cc2ccccc2)Cc2cccs2)CC1 31807485 PECWVECODGFOSB-JOCHJYFZSA-N 356.579 4.614 0 40 FJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)n1 32578668 YYFFUUVZRZHPQY-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB Cc1ccc(OCC(=O)Nc2noc(-c3cccc4ccccc34)n2)cc1C 32624311 VAZRLQKEDVZUMM-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB CC(=O)Nc1ccc(OC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 32717003 QYNWOTKSZAOIFS-UHFFFAOYSA-N 355.390 4.732 0 40 FJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Cl)c2ncccc12 32909750 JRGPEVMJRFQFHD-UHFFFAOYSA-N 370.884 4.539 0 40 FJAB Cc1ccc(CN(C)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)o1 44774731 PYVPKUXUTOJNAX-IRXDYDNUSA-N 366.486 4.906 0 40 FJAB N#CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 51330564 RIEWJNZQWMELBG-KBWIZFGUSA-N 355.441 4.723 0 40 FJAB O=C(NO[C@H]1CCCCO1)c1ccccc1-c1ccc(C(F)(F)F)cc1 60332273 MBCNYPOKBZBUNI-KRWDZBQOSA-N 365.351 4.560 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1NC1CCC1 72213893 BRVLXEGRVYJSQY-LJQANCHMSA-N 351.450 4.520 0 40 FJAB Clc1ccccc1Cc1cccc([C@@H]2CCCN2C2CCOCC2)n1 72358160 XXUDICWLNLEGHV-NRFANRHFSA-N 356.897 4.642 0 40 FJAB Cc1cccc(C)c1NC(=O)c1cncc(C(=O)Nc2c(C)cccc2C)c1 89688841 MQBVPGGRZJRYJL-UHFFFAOYSA-N 373.456 4.820 0 40 FJAB CC1CCN(CCCNc2cc(C(F)(F)F)nc3ccccc23)CC1 89929969 DRIVDZKGYLBIHW-UHFFFAOYSA-N 351.416 4.788 0 40 FJAB Cc1nnc(S[C@H](C(=O)NC2CCCCCC2)c2ccccc2)s1 95481992 JTIKTFXTMOFJTA-INIZCTEOSA-N 361.536 4.519 0 40 FJAB COc1ccc(CN2CCC3(CC2)C[C@H](OC)c2cc(C)ccc23)cc1 96100197 UFNPBAABHDNWKN-QFIPXVFZSA-N 351.490 4.629 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccco2)C[C@H](c2cccc(Cl)c2)C1 102571035 GBTLVGGSIVPMPM-SGTLLEGYSA-N 366.808 4.590 0 40 FJAB Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 216382620 MOVOPWVDTBRVAG-NTEUORMPSA-N 373.500 4.808 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2)n1 223255959 XWUFACKRZMOLGP-SFHVURJKSA-N 373.500 4.528 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 223580914 VFZDHGAXNWKDPB-KPKJPENVSA-N 351.833 4.702 0 40 FJAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(C)cc1 223585713 BFDDLURUEGKKNU-OAQYLSRUSA-N 369.486 4.586 0 40 FJAB CCOc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1Cl 223642031 DVWUWIREGPEHFS-UHFFFAOYSA-N 369.848 4.701 0 40 FJAB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(C)c1 223956546 LAYPNIFTSGWPHT-IBGZPJMESA-N 357.519 4.813 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccccc1Cl 224474588 HVWQWBNVKOMHNR-AWEZNQCLSA-N 361.869 4.846 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882354 JSUPPCZXZOISDO-OAHLLOKOSA-N 357.303 4.520 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)c(F)c1 225302795 KHXWZAQTCKHVQW-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB CC[C@@H]1N=C(c2ccc(F)cc2)c2cccn2-c2cc(OC)c(OC)cc21 225378265 LXMPIKMBSVMWPI-KRWDZBQOSA-N 364.420 4.936 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cccc(Cl)c2oc1=O 226039709 GDUKIPVZHQUMLI-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 229817015 UXMMJWNHLXEBLE-GPHNJDIKSA-N 355.437 4.611 0 40 FJAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1C 408597176 YBSHUVITNJJDLJ-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(N)=O)c1-c1ccccc1 675862 WVKGTGXSLCCUCX-UHFFFAOYSA-N 370.861 4.728 0 40 FJAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1 1053224 BLVXPGSHAVMFTR-UHFFFAOYSA-N 367.474 4.764 0 40 FJAB COc1ccc(-c2nc3ccccc3n2OCc2ccc(Cl)cc2)cc1 1396573 ZCFDELSFKXFTBV-UHFFFAOYSA-N 364.832 4.994 0 40 FJAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccccc1 2302704 KXMHVEJUFHFNAZ-ZHZULCJRSA-N 373.383 4.749 0 40 FJAB Cn1c(NC(=O)c2ccccc2F)c(-c2ccccc2)c(=O)c2ccccc21 2353993 OQYYEDCIUKESPX-UHFFFAOYSA-N 372.399 4.597 0 40 FJAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(Cl)c1 2403138 FPIYFFSQZMMSAH-UHFFFAOYSA-N 369.833 4.760 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 3217002 XRRZHTGYHUTVSD-UHFFFAOYSA-N 367.426 4.969 0 40 FJAB O=C(NCc1cccc(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12 3269504 REMXPWFJBNLUKJ-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)n1 3297485 PFWRJUWSBKGGHJ-UHFFFAOYSA-N 374.488 4.732 0 40 FJAB O=C(Nc1nccs1)c1cccnc1Nc1cccc(C(F)(F)F)c1 3422084 RAIDKVMZMNUCRB-UHFFFAOYSA-N 364.352 4.553 0 40 FJAB Cc1cccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)c1C 4108878 FYTOUPWKPSTPJA-UHFFFAOYSA-N 374.362 4.642 0 40 FJAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(C)cc2)o1 5210358 YJRBDKXQVOYFSB-UHFFFAOYSA-N 354.431 4.549 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(Cl)cc(Cl)n1 5890569 RDCGYEXJMRAMQY-UHFFFAOYSA-N 352.008 4.734 0 40 FJAB CCOc1ccc(NC(=O)c2cc(Cl)c(OCC)c(OCC)c2)cc1 6155687 VMNMWZZWZGOPDP-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccco2)C2=C1CC(C)(C)CC2=O 6953022 KHHMPHZVBBVZFN-UHFFFAOYSA-N 367.489 4.985 0 40 FJAB C[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1cc2ccccc2o1 7200032 ZOCXVJWBHOFEMR-CQSZACIVSA-N 362.454 4.951 0 40 FJAB COc1ccc(CNC(=O)[C@@H](C)Sc2cccc(C(F)(F)F)c2)cc1 7361856 BUNPSOYKYOFHQC-GFCCVEGCSA-N 369.408 4.511 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3cnc(Cl)c(Cl)c3)n2)o1 7967723 PKGWUNCTAOGRSY-UHFFFAOYSA-N 354.218 4.666 0 40 FJAB COCCn1c(S[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O 7985862 DGUNYQJPNXFMSB-CYBMUJFWSA-N 374.893 4.550 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(F)cc2)s1 8071444 DEVHKJQOYLSWDF-UHFFFAOYSA-N 355.390 4.578 0 40 FJAB Cc1cc(C)cc(OCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8279556 WURKVNXBERGHKK-HNNXBMFYSA-N 354.475 4.512 0 40 FJAB COc1ccccc1[C@H](CCN[C@@H]1CCO[C@@H](C(C)C)C1)c1ccco1 9531177 ADZJVPMVUQQIJT-ZWCUEREDSA-N 357.494 4.603 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Cl 9987946 WZYXWZPCNOGKDX-MDZDMXLPSA-N 367.876 4.783 0 40 FJAB Cc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1-n1cccc1 10431318 DYSJABNOZZCKMV-UHFFFAOYSA-N 360.244 4.927 0 40 FJAB CC(C)Oc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 10893674 AIEFVOIRQGLWAZ-UHFFFAOYSA-N 352.459 4.527 0 40 FJAB O=C1C[C@H](c2ccccc2OCc2cccc(F)c2)c2sccc2N1 12375458 XSPKRMHATQUJIJ-MRXNPFEDSA-N 353.418 4.940 0 40 FJAB CN1/C(=C\C(=S)NC(=O)c2ccccc2Cl)C(C)(C)c2ccccc21 12487483 KQLBUEQLYVZKDN-ATVHPVEESA-N 370.905 4.709 0 40 FJAB aggregator Cc1ccc(F)c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 12551344 DTGTYFVOXXJZOK-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB C[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccco1 12567866 QMTKYDZMQDRSPY-AWEZNQCLSA-N 363.442 4.685 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1 12913734 LRIOPJAELJWITQ-UHFFFAOYSA-N 355.821 4.635 0 40 FJAB Cc1oc(-c2ccccc2)nc1CSCC(=O)Nc1ccc(F)c(F)c1 12920892 SKTSQUAUGWFVDF-UHFFFAOYSA-N 374.412 4.800 0 40 FJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)o2)cc1 13036178 DJSUNHFUAOJKMZ-DENIHFKCSA-N 360.413 4.839 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 14785907 UPVMCBBBRNGFRE-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB C[C@@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 15291618 MSKHYSORVLAYGC-LLVKDONJSA-N 356.775 4.648 0 40 FJAB CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 16599415 UMSIVOZISBQTLO-OAHLLOKOSA-N 358.894 4.587 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)c3cc(F)c(Cl)cc3Cl)sc2C1 17367910 QHNIQMZSXNYKNU-SSDOTTSWSA-N 359.253 4.966 0 40 FJAB COc1ccc(CN2C(=O)CS[C@H]2c2cccc(Cl)c2Cl)cc1 19927143 VKNGQFXBTAEBBX-KRWDZBQOSA-N 368.285 4.776 0 40 FJAB O=C(CSCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 20035471 HDCXAFQRMMIFNJ-UHFFFAOYSA-N 357.494 4.540 0 40 FJAB O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccco1)c1ccccc1 20107586 RMKRIITXWWVILX-LTGZKZEYSA-N 372.424 4.586 0 40 FJAB Nc1c(Cl)cc(NC(=O)c2sccc2-n2cccc2)cc1Cl 26024342 LCDOHQIPFLKGRH-UHFFFAOYSA-N 352.246 4.680 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(Cl)cc1 30865939 UPFWAWPEDXCCKX-GOSISDBHSA-N 366.288 4.900 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1C 32508801 RQDZVSJEIZIKLV-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CCc1ccccc1NC(=O)CSCc1ccccc1Br 32794303 VPSQNTOQQBXSCH-UHFFFAOYSA-N 364.308 4.883 0 40 FJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Cl)c(OC)c(Cl)c1 32796621 QKRJHECVRYDEAG-LLVKDONJSA-N 368.260 4.844 0 40 FJAB COc1cc(Cl)c(NCc2cc(=O)oc3c(C)c(C)ccc23)cc1OC 32803948 DCTWGSNRXFVUGB-UHFFFAOYSA-N 373.836 4.693 0 40 FJAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C 36616892 RBRNHUIPGMJAMT-UHFFFAOYSA-N 356.429 4.504 0 40 FJAB CC(C)[C@@H](NCC(=O)Nc1c(F)cccc1F)c1ccc(Cl)cc1 57381111 RVTKJQQIJAOTHH-QGZVFWFLSA-N 352.812 4.544 0 40 FJAB COc1ccccc1[C@@H]1Nc2c(Cl)cc(C(=O)O)cc2[C@@H]2C=CC[C@@H]21 59436919 VYIKUBLQXBNHOI-FHSNZYRGSA-N 355.821 4.873 0 40 FJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)C1(C)C 71895325 ONLSOJYRYUVMGS-KBXCAEBGSA-N 360.885 4.644 0 40 FJAB COc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2C)cc1 72029778 DOTIGXMPJLLKAM-QZTJIDSGSA-N 364.470 4.869 0 40 FJAB CC(C)c1ccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 72390034 AOKLXMXIVVYTDV-LJQANCHMSA-N 362.477 4.635 0 40 FJAB CCOC(=O)/C(=C/c1ccc(OC)c(OC2CCCC2)c1)c1ccncc1 87493557 XDBVFCJEBQERSJ-XMHGGMMESA-N 367.445 4.515 0 40 FJAB CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)CCO1 95469143 VLCPOTZXOGYDRL-HOTGVXAUSA-N 358.404 4.811 0 40 FJAB Cc1ccc(NC(=S)NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 100497285 YFDHSYLOSKBZMO-IJXDTGRPSA-N 356.535 4.805 0 40 FJAB Cc1ccc2c(c1)s/c(=N/C(=O)c1cc(Cl)cc(Cl)c1)n2C 100812012 JQKHDFRDNVQMSW-KNTRCKAVSA-N 351.258 4.596 0 40 FJAB Cc1ccc(-c2nc(COC(=O)C3C[C@H]4CCC[C@H](C3)C4=O)cs2)cc1 101852403 QIOQHRJAPSXVNW-HZPDHXFCSA-N 369.486 4.557 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 109476299 RIBOXLRANODTNO-UHFFFAOYSA-N 361.489 4.925 0 40 FJAB O=C(Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1Cl 110381003 KYVGTTXXUGKBLI-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1ccc(OCCCNC(=O)c2c(C)c3cc(Cl)ccc3n2C)cc1 141594673 IRPIKTUWFHYZJY-UHFFFAOYSA-N 370.880 4.647 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)CSCc2ccccc2)cs1 206895780 OUEGDWNPPLHMBM-UHFFFAOYSA-N 354.500 4.990 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)CC(C)(C)O2 219518337 KSPNCBSULWOIMY-PXNSSMCTSA-N 367.489 4.798 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219608131 KOMZYUIAUVMAJK-QZTJIDSGSA-N 373.880 4.916 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1C 223219034 BTUAMQKGYHHZFP-UHFFFAOYSA-N 367.470 4.780 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223466639 RLHZBDFMIWYHHW-LAUBAEHRSA-N 355.478 4.655 0 40 FJAB Cc1cccnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCC1 223987092 XNOZPUXLEKLZOR-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225167353 ZPRBMRICZRCJQZ-SJORKVTESA-N 355.478 4.772 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)n1c(C)c(C=O)c2ccccc21 226367434 IRZDDMNVNQKHSV-UHFFFAOYSA-N 362.212 4.766 0 40 FJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1c(Cl)cccc1Cl 408580633 QEGIHMULZIRCCH-UHFFFAOYSA-N 371.223 4.746 0 40 FJAB Cc1cc(C)cc(NC(=O)CSCc2cccc(Br)c2)c1 408772784 FRNQTDICPLLDAV-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CC1=C[C@H](O)[C@@H](C(C)C)[C@@H](OCC(=O)c2ccc(O)cc2)CC(C)=CCC1 1559556390 HDAGALPNSCGMSL-ACIOBRDBSA-N 372.505 4.670 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1cc2ccccc2s1 1775968807 LRCGXXQRKQKIAB-ZDUSSCGKSA-N 369.467 4.686 0 40 FJAB CC[C@H](C)NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 820428 XSICOIPDULZWCC-INIZCTEOSA-N 370.456 4.592 0 40 FJAB COc1ccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1OC 954170 GVQNTMPPWIARFD-NSHDSACASA-N 355.463 4.577 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 2200218 URUXAHFIRTXWIE-JOCHJYFZSA-N 355.437 4.834 0 40 FJAB COc1cccc(OCc2ccccc2)c1C(=O)[C@H]1O[C@H]1c1ccccc1 3120600 LVEKADWKKOAHFB-XZOQPEGZSA-N 360.409 4.597 0 40 FJAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3239198 FCKOFIGCHLNVKU-UHFFFAOYSA-N 366.244 4.912 0 40 FJAB Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1Br 3510407 NPQAHQYCGVVSQJ-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB CCCCNC(=S)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764153 DODQXKMRHLXDMG-LPHOPBHVSA-N 357.567 4.870 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)o2)c(C)c1 4479467 ZDYGBOBKNUJUDV-UHFFFAOYSA-N 357.413 4.688 0 40 FJAB O=C(Nc1nc2ccccc2[nH]1)/C(=C/c1cccs1)c1ccc(F)cc1 4863303 MAMKNQYXTLBRTH-FOWTUZBSSA-N 363.417 4.943 0 40 FJAB COc1ccccc1NC(=O)CSc1cc(C)c2cccc(C)c2n1 5582814 UOAXRGBTQAWPOL-UHFFFAOYSA-N 352.459 4.591 0 40 FJAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)nn2-c2ccccc2)cc1 6215109 UZIYRYOHJGRXLJ-UHFFFAOYSA-N 359.473 4.910 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)[C@@H]1CCCO1 6553570 QJNNTGDVHIMIND-INIZCTEOSA-N 356.388 4.568 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7072417 VQCXKPIPPDQIKL-DNVCBOLYSA-N 364.489 4.809 0 40 FJAB COc1ccc2ccccc2c1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 8169732 ZUQXJUURONQFRA-UHFFFAOYSA-N 362.454 4.692 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8186494 IRRPGAPEHZUQBV-HXUWFJFHSA-N 359.425 4.588 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CCCCCC3)cc(-c3ccccc3)nc21 8268781 VWSXZEHWKOYQFU-UHFFFAOYSA-N 362.477 4.695 0 40 FJAB CCOCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 8654064 CZAXGHNDQCMYGH-UHFFFAOYSA-N 370.522 4.690 0 40 FJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCCC2)c1 9159968 LMZIDNCTUXWBLX-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB CCc1ccc(CN(C)C(=O)NCc2ccc3cc(OC)ccc3c2)cc1 10495195 MXHPSZGWWPFNQT-UHFFFAOYSA-N 362.473 4.752 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1 12757260 CRCXAPZFUNXFOX-UHFFFAOYSA-N 363.461 4.805 0 40 FJAB C[C@H]1CCN(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)c2ccccc2S1 13040189 ZCGIWGLKICHLQU-GJZGRUSLSA-N 374.937 4.908 0 40 FJAB C[C@@H](N[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccccc1 13898463 DXSUACXFCFLVGJ-OPAMFIHVSA-N 360.432 4.831 0 40 FJAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)C[C@H](C(C)C)OC3 17945451 XOMAXNBMZRWYDI-CQSZACIVSA-N 372.515 4.516 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1Cc1ccccc1 18092085 ODSBKTZCIDZCGD-UHFFFAOYSA-N 370.452 4.657 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)OC)cc1 20042066 OLNAZLQOAOYRPR-MRXNPFEDSA-N 363.866 4.636 0 40 FJAB COc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cc1OC 20459657 XDMAYQVXOKQTHC-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB COc1cccc(Nc2ncccc2C(=O)Nc2ccc(Cl)cc2)c1 22072276 XHZKYPVNGZKXHH-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 22512627 UQVIYLLTHBWDLO-DEOSSOPVSA-N 359.469 4.842 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1Cc2ccccc2O1 24709534 DUBCTDOZWDSVJT-PKTZIBPZSA-N 369.420 4.642 0 40 FJAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@H]1c1ccccc1 30038369 XYVSZMBWDJSDHJ-SFHVURJKSA-N 352.821 4.972 0 40 FJAB CCOc1ccc(S(=O)(=O)Oc2cc(C)cc(C)c2)c2ccccc12 32602115 HXVOHDLFUXNIKW-UHFFFAOYSA-N 356.443 4.623 0 40 FJAB CC(C)C[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 32847914 YVEPBMMZQPYBIY-CYBMUJFWSA-N 371.349 4.828 0 40 FJAB CCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38858877 JMQRGRWARODCCG-OAHLLOKOSA-N 357.325 4.512 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@@H](c2cccc(F)c2F)C1 40266758 YBJBGRXDEVIJPK-CYBMUJFWSA-N 361.298 4.552 0 40 FJAB Cc1ccc(CN(C(=O)NCc2ccco2)[C@@H]2CCc3ccccc32)cc1 48278505 JITOJVNBIUNSGJ-JOCHJYFZSA-N 360.457 4.987 0 40 FJAB CC(=O)O[C@H](N1c2ccccc2C(C)=CC1(C)C)C(Cl)(Cl)Cl 59500857 NEDUWKHVIUDPPZ-AWEZNQCLSA-N 362.684 4.948 0 40 FJAB O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCC(n2cccc2)CC1 60452009 HDDUHSXAYJEOAB-UHFFFAOYSA-N 359.882 4.675 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2ccc(F)cc2C)cc1Cl 71761232 CCCOXPALRRWWIC-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB O=C(CC1CCCC1)N1CCCC[C@H]1c1n[nH]cc1-c1cccc(F)c1 72356342 YPPGWNQRUQVBNO-IBGZPJMESA-N 355.457 4.850 0 40 FJAB O=C(c1nc2ccccc2s1)N1CCC(CSCc2ccco2)CC1 90608388 FIBQTEFKMQBHRB-UHFFFAOYSA-N 372.515 4.675 0 40 FJAB Cc1cc(C)nc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 95972412 QLJDQZASWMZRPT-UHFFFAOYSA-N 367.474 4.848 0 40 FJAB S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100424570 UGEXXCHEIXWTRU-NHCUHLMSSA-N 365.546 4.559 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1cccc(OC(C)C)c1 219576764 BWBXFJFRLIITFK-FQEVSTJZSA-N 373.468 4.519 0 40 FJAB CC[C@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(C)cc1 219863664 LFAQNTURCMDOPF-QFIPXVFZSA-N 350.506 4.787 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)cc3)N21 222664419 YZGPCSBRKBQCNR-NSISKUIASA-N 367.518 4.848 0 40 FJAB COC(=O)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222682501 ZMQHJPUYMZXSJQ-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB CCCC[C@H](CC)CNS(=O)(=O)Cc1c(Cl)cccc1Cl 224213171 UAWXZLFMYLHDLT-LBPRGKRZSA-N 352.327 4.629 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccc(Cl)cc1 225195065 KRCGASZMWMWMQP-SECBINFHSA-N 370.703 4.545 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259417 JEOJVSVHWLZSEO-QGZVFWFLSA-N 369.468 4.981 0 40 FJAB COC(=O)c1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1C 225858746 YDAKMNAPZIVJCY-UHFFFAOYSA-N 368.502 4.538 0 40 FJAB Fc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 227308531 SVFQQPZSZOXLGQ-YUXAGFNASA-N 370.899 4.891 0 40 FJAB CCCCN(CCCC)S(=O)(=O)c1cc(Cl)c(Cl)cc1C 231423990 VVQKOAPGTIAUCN-UHFFFAOYSA-N 352.327 4.893 0 40 FJAB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3)oc2cc1C 408626119 ZWMUXTVTRXNJOL-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 408628216 QXYXMKCRLTXXPR-MRXNPFEDSA-N 367.518 4.501 0 40 FJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 408885117 WTDYLNPPEBYCQF-YVLHZVERSA-N 373.861 4.894 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1C 408974277 YGWQQLYOLIAWMO-LICLKQGHSA-N 356.422 4.548 0 40 FJAB CC(=O)N[C@@H]1C[C@H](c2cccc(Oc3ccccc3)c2)O[C@@H]2CCC[C@@H]12 585261176 GZPXARNPQKZHIU-DXBBTUNJSA-N 351.446 4.614 0 40 FJAB c1ccc2[nH]c([C@@H]3CCCN(Cc4c[nH]nc4-c4ccsc4)C3)cc2c1 682152415 SLUNVVIERIHLKW-MRXNPFEDSA-N 362.502 4.999 0 40 FJAB Fc1ccccc1-c1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 632702 ZVCVBOMHHYPKDD-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1OCC 949553 IXNWUSFNKWMTGA-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)c(Cl)c1 1095906 TYFIMNGLQHREQU-UHFFFAOYSA-N 353.230 4.865 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 1255621 MTOYQKNLBBCXBF-CYBMUJFWSA-N 360.910 4.909 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 2723090 JKVPZJIMKXCIDM-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1ccccc1C 3135908 SJANZRZBYMBCDQ-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 3182114 CKWKIJLBDMNCJI-UHFFFAOYSA-N 365.816 4.832 0 40 FJAB O=C(CCc1nc2ccccc2s1)OCc1cccc(C(F)(F)F)c1 3341505 VFXFDZOUMQTFEY-UHFFFAOYSA-N 365.376 4.991 0 40 FJAB Brc1cccc(CSc2nnc(-c3cccs3)o2)c1 3439009 AFGPQWUEAYOVMV-UHFFFAOYSA-N 353.266 4.853 0 40 FJAB Cc1cc2c(SCC(=O)Nc3ccc(C)c(Cl)c3)ncnc2s1 5017210 XZYNBWZXJGZAMJ-UHFFFAOYSA-N 363.895 4.692 0 40 FJAB CCc1cc2c(c3c1CCCC3)C[C@@]1(Cc3ccc(C(=O)OC)cc3C1)C2 6371686 PPZMRZDTOWEHON-RUZDIDTESA-N 360.497 4.798 0 40 FJAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 6605510 GTPOMWDRHFBIDV-UHFFFAOYSA-N 365.502 4.858 0 40 FJAB COc1cc(NC(=O)[C@@H](C)SCc2ccc(Cl)cc2)cc(OC)c1 7062769 MQEXAKLIULERPS-GFCCVEGCSA-N 365.882 4.618 0 40 FJAB Cc1ccc(-c2ccc3nnc(SCc4ccccc4F)n3n2)cc1 7509960 XQYDELJODHLVGG-UHFFFAOYSA-N 350.422 4.531 0 40 FJAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c(F)c1 7910297 ONTSTSGHMZJFLY-QGZVFWFLSA-N 369.465 4.519 0 40 FJAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063577 UTOIVPUSFPKDCG-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 12538051 CKXNCLUJIQZDKZ-LLVKDONJSA-N 373.840 4.546 0 40 FJAB Cc1cc(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)no1 12628456 AORUVOWDOQHCTN-UHFFFAOYSA-N 370.478 4.569 0 40 FJAB CCc1nc(CSc2nc3ccccc3c(=O)n2[C@@H](C)CC)cs1 13010847 DTIRUWRARBQMFL-LBPRGKRZSA-N 359.520 4.679 0 40 FJAB COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc(Cl)c1OC(C)C 14598002 CUGQJGGMJAUORI-YOEHRIQHSA-N 365.901 4.931 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccccc2)cc1 14609522 HZMNUMZJHWADRT-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COc1cc(SC)ccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 15199098 YIHBAZBWOTZCFF-HNNXBMFYSA-N 363.479 4.523 0 40 FJAB Cc1ccccc1N/C=C1/C(=O)N(c2ccccc2)C(=O)c2ccccc21 17992164 JMZBYYSCHSEKEE-HMMYKYKNSA-N 354.409 4.635 0 40 FJAB CCCCCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Cl 19943252 OFFMUKRDBFEQCS-HUUCEWRRSA-N 373.946 4.576 0 40 FJAB c1ccc(C(Sc2nnnn2Cc2cccs2)c2ccccc2)cc1 29744154 DHXGBKTXMVSIHA-UHFFFAOYSA-N 364.499 4.665 0 40 FJAB O=C(CCc1ccco1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 40159458 LWYSJIBWSSXDQQ-GOSISDBHSA-N 364.470 4.703 0 40 FJAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1 57509362 VFGMIBDAECCUQU-UHFFFAOYSA-N 367.865 4.602 0 40 FJAB Fc1ccc([C@H](Cc2ccc(Cl)cc2Cl)NCc2ncc[nH]2)cc1 66594192 ZAPLTWDZAKPNJA-KRWDZBQOSA-N 364.251 4.929 0 40 FJAB CCS[C@@H]1CCC[C@H]1NC(=O)c1sc(-c2cccs2)nc1C 75093451 XLDXUGSZVADRFI-VXGBXAGGSA-N 352.550 4.584 0 40 FJAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cccnc2N2CCCC2)o1 75543978 AMRHEJNKKRPILN-CRAIPNDOSA-N 368.481 4.588 0 40 FJAB O=C(NC[C@@H]1CCOC1)c1oc2ccccc2c1CSc1cccs1 84587695 BTCXPVHNRFVHJO-ZDUSSCGKSA-N 373.499 4.553 0 40 FJAB CC(=O)CCCCCCC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 89913593 WPHBKDDRLFMTAM-MRXNPFEDSA-N 358.507 4.917 0 40 FJAB O=C(O)CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 96318816 MGVAVFKIOVJGCU-UHFFFAOYSA-N 361.228 4.863 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166339 USRTXVAINZBSEO-PMACEKPBSA-N 362.448 4.787 0 40 FJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 100394282 BQPYTAHDNRGLSY-XMCHAPAWSA-N 361.441 4.797 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(CCO)cc3)s2)c(C)c1 102499187 LQYCJCWMUDGNRL-UHFFFAOYSA-N 366.486 4.522 0 40 FJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)COc1ccc(C(C)(C)C)cc1 216721630 BUHNYLOFBREHNT-UHFFFAOYSA-N 365.429 4.665 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 219301832 QLTBPDBVSAZJBX-IBGZPJMESA-N 369.505 4.527 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224821392 KPKYOFOZWMSKJG-OAHLLOKOSA-N 373.865 4.655 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(F)(F)F)cc1 224847475 TWUSMFOSCBAUTQ-ZDUSSCGKSA-N 363.379 4.990 0 40 FJAB CCOc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225569875 VFSXQDGZIINZIQ-UHFFFAOYSA-N 367.489 4.697 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c(Cl)c3)n2)cc1 408622004 OYASESDZWKBLFM-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB CCc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1 408623019 QOJIBALXXHOOJF-UHFFFAOYSA-N 367.474 4.526 0 40 FJAB Cc1cccc([C@@H]2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)C2)c1 1138179212 KJRJSGKARDUAPW-HXUWFJFHSA-N 359.473 4.632 0 40 FJAB Cc1ccc([C@@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)[nH]n3)C2(C)C)cc1 1558150290 KPQQFDCRJIFFNN-KRWDZBQOSA-N 363.461 4.695 0 40 FJAB CCCC[C@](C)(O)C/C=C/C1=C(O)CC(=O)[C@@H]1CCCCCCCO 1560405438 XXCSGBOSMKPKOV-GNJIXXJRSA-N 352.515 4.608 0 40 FJAB CCOc1ccc(CNc2cccc(Br)c2F)cc1OC 1889035583 JMFDBBBFKNYKIS-UHFFFAOYSA-N 354.219 4.608 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccccc2C(C)C)c(Br)c1 942637 CNFRDRBALOZGEK-UHFFFAOYSA-N 362.267 4.898 0 40 FJAB CCSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 1062065 UVIAIPLWADRNLJ-UHFFFAOYSA-N 361.517 4.534 0 40 FJAB CCOc1ccccc1C(=O)N(CC)c1nnc(-c2ccccc2C)s1 1345270 SRZBBOWDWHJIGM-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1OC 1744754 FSGIERMUYHKCIC-RIYZIHGNSA-N 370.445 4.892 0 40 FJAB CCN(CC)c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1 3324204 BTOKNQMDPNNZSD-UHFFFAOYSA-N 365.449 4.943 0 40 FJAB Cc1cc(F)ccc1NC(=O)CCCOc1cccc(Br)c1 3431167 FVPHVOBLTZTNQW-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(Cl)c1 4107410 DYPQJUQLSHNMKD-UHFFFAOYSA-N 353.809 4.521 0 40 FJAB CC(C)(CN1CCCCC1)CN(Cc1ccccc1)C(=O)c1cccs1 4167727 HIXFUTJNABOPRZ-UHFFFAOYSA-N 370.562 4.903 0 40 FJAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2ccccc2c1 4242743 NQSCHYGBUIEBFS-NSHDSACASA-N 359.834 4.739 0 40 FJAB Cc1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 5147343 COLMUUFKPPXJNF-UHFFFAOYSA-N 365.433 4.692 0 40 FJAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1)N(O)c1ccccc1 5306500 YAMYXDXWQAYIBN-VXKWHMMOSA-N 371.440 4.662 0 40 FJAB Clc1cnc2[nH]c(SCc3ccc(Br)cc3)nc2c1 5453520 URYWHBIOKQHMJX-UHFFFAOYSA-N 354.660 4.666 0 40 FJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)cc1 5917585 RUCJWNKITTZCTF-QFIPXVFZSA-N 356.425 4.687 0 40 FJAB CCCCN(C(=O)c1cnc2ccccc2n1)c1nc2ccccc2s1 6647118 ZSDGVCOQZOBHSA-UHFFFAOYSA-N 362.458 4.686 0 40 FJAB Cc1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)cc1C 7425365 LPDOAWPSMGQBNY-UHFFFAOYSA-N 363.505 4.718 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2ncsc2c1 8428963 HMNLXGSDOSZCRU-UHFFFAOYSA-N 352.415 4.590 0 40 FJAB COc1ccc(CNc2nc(C)nc3scc(-c4cccs4)c23)cn1 12517171 WSBZUTUHRFJFRE-UHFFFAOYSA-N 368.487 4.744 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(C)c1 12526126 PGDNZKUQCIJFFM-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 12587933 VTUXYEFWBMXHPY-MRXNPFEDSA-N 374.868 4.995 0 40 FJAB O=C(NC1CC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 12913840 YCORKXGWTSPIMZ-MRXNPFEDSA-N 354.208 4.531 0 40 FJAB CC(=O)N[C@H](CSC/C=C(/C)CC/C=C(\C)CCC=C(C)C)C(=O)O 13536927 XTURYZYJYQRJDO-HZCIRJGKSA-N 367.555 4.728 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc2cc(Cl)ccc2o1 14184153 PAYGDFVBRUKDKF-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)c3ccc(F)c(F)c3)cc2C1 14675995 XPSBYXLGEURCLA-WDEREUQCSA-N 364.413 4.579 0 40 FJAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(OC)cc1OC 15583785 XBCWCHYTBYBVEW-ZRDIBKRKSA-N 351.402 4.664 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)c(C)c1 15842329 FVHMXEQUPMSRHE-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 17339774 KQLUCRRTXKAXBD-UHFFFAOYSA-N 359.853 4.878 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccccc1 21580601 PUIJUFWCCBKSLY-SDNWHVSQSA-N 369.424 4.890 0 40 FJAB CCOc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22245320 VADOGZDNHYMROB-UHFFFAOYSA-N 367.474 4.870 0 40 FJAB Cc1ccc(S(=O)(=O)c2nc(C(C)C)oc2NCc2ccccc2)cc1 27061898 NYXOCWVTKPXTMY-UHFFFAOYSA-N 370.474 4.551 0 40 FJAB Cc1nc(NCCNc2ccccn2)c2c(-c3cccs3)csc2n1 29845399 JRDHARBQSZCLFV-UHFFFAOYSA-N 367.503 4.647 0 40 FJAB CC(C)[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(C(C)(C)C)cc1 32744920 IYDKIDLZYDDAEK-LJQANCHMSA-N 367.493 4.602 0 40 FJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 32972051 DIMWQTLJWCLKNE-VKJYCEFSSA-N 365.317 4.908 0 40 FJAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 40114849 KOQXZFYCEAMUGV-LIRRHRJNSA-N 355.869 4.764 0 40 FJAB CC1CCN(C(=O)Cc2cccc(-c3nc4ccccc4s3)c2)CC1 41127640 YWGKDUUZHUKDOP-UHFFFAOYSA-N 350.487 4.764 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCCC[C@H]3c3ccncc3)cc2)n1 49765190 HCQUSGZIWNYICV-QFIPXVFZSA-N 374.488 4.642 0 40 FJAB CC(C)(C)n1nc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1C1CC1 55364654 QLLWOERHHUCKQP-IBGZPJMESA-N 366.509 4.668 0 40 FJAB Cc1cccc2c(O)nc(/C(Cl)=C/c3cn4cc(Cl)ccc4n3)nc12 64360256 QTOWMPNCFJSYBF-AUWJEWJLSA-N 371.227 4.682 0 40 FJAB COc1ccc(NC(=S)Nc2ccccc2Br)cc1Cl 71761833 ULLKKDJPXFHEPP-UHFFFAOYSA-N 371.687 4.920 0 40 FJAB Cc1nc(CC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)cs1 71932092 SXOFXBOAHUPZJM-UHFFFAOYSA-N 361.486 4.541 0 40 FJAB CC(C)CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215325 SOYGEFNYRVQWTR-GOSISDBHSA-N 359.514 4.778 0 40 FJAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccnc1 102585305 DYDBQFPSJFGUBW-OAQYLSRUSA-N 361.445 4.894 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 224045154 TWRAHFXXMWHPMJ-LJQANCHMSA-N 369.505 4.698 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1 224439563 ODDUTGZFYQSMOM-MRXNPFEDSA-N 352.261 4.510 0 40 FJAB CC(C)Oc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224708882 VTVMXYKMFVAEPJ-INIZCTEOSA-N 353.462 4.759 0 40 FJAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c2cccnc12 225471325 KMRYHPWYRFZTKP-CQSZACIVSA-N 351.475 4.599 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225542920 SJGXCUQBSMAOCZ-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)nc1C 225897675 NYOAOLQXJLKJMB-HXUWFJFHSA-N 350.503 4.883 0 40 FJAB COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408557827 QEJROUXSTSJXEM-MRXNPFEDSA-N 354.258 4.781 0 40 FJAB O=c1nc(-c2ccc(OCc3ccccc3Cl)cc2)[nH]c2ccccc12 575410796 BGHRBTWWHUHXQA-UHFFFAOYSA-N 362.816 4.823 0 40 FJAB O=C(CCCCCn1cccc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 604418582 ZSNDKKXDTDTNPR-HXUWFJFHSA-N 364.493 4.679 0 40 FJAB CC(C)(CNC(=O)CCCc1ccc(Cl)c(Cl)c1)c1ccncc1 678174507 KQBBKTXGGNISIB-UHFFFAOYSA-N 365.304 4.805 0 40 FJAB O=C(Nc1ccc(F)cc1)NC1(c2cccc(Br)c2)CCC1 1667065252 MCICLRZRLGGORG-UHFFFAOYSA-N 363.230 4.789 0 40 FJAB O=C(O)C[C@H](c1ccc(Cl)cc1)[C@@H](CC(=O)O)c1ccc(Cl)cc1 1713624 GUQHSNHAMGACCO-IYBDPMFKSA-N 367.228 4.810 0 40 FJAB O=C(O)CSc1nc(-c2ccc(Cl)cc2)nc2c1oc1ccccc12 2334457 HFVNNRWQEUJIFN-UHFFFAOYSA-N 370.817 4.873 0 40 FJAB CSc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 3455736 NAFPUGZSGVAFTM-UHFFFAOYSA-N 356.535 4.911 0 40 FJAB Cc1ccc(-c2noc(-c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 3584839 PYDUAEAUUBJLCI-UHFFFAOYSA-N 356.381 4.931 0 40 FJAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)oc2=S)CC1 4525296 GZZSNZZXZYFQRR-UHFFFAOYSA-N 358.294 4.869 0 40 FJAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(C)c1 6340168 CEKJCWUIBJBJFD-UHFFFAOYSA-N 353.853 4.762 0 40 FJAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 6639533 RNVONIZPJVDUIR-UHFFFAOYSA-N 367.751 4.607 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cn3)o2)cc1C 6814467 LSEIDRQSPHESAR-UHFFFAOYSA-N 371.234 4.973 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(CN2CCCc3ccccc32)cs1 7115051 MCDGRNMRDLKMTG-UHFFFAOYSA-N 363.486 4.781 0 40 FJAB COC[C@H](C)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 7643489 VUPBBSIHNXVPCZ-AWEZNQCLSA-N 367.474 4.509 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc2c(s1)CCCCC2 7987380 ZZZTXYOKKZXYBI-UHFFFAOYSA-N 355.488 4.788 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(C(F)(F)F)c1 8493076 XWJYTLTUNIDXJH-AWEZNQCLSA-N 353.340 4.510 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 9164832 UOGKSPSIWXSOQC-UHFFFAOYSA-N 372.415 4.542 0 40 FJAB Cc1ccccc1Nc1nc(CSc2nnc(C)n2C2CC2)cs1 9885095 CHCCEMHMABOIGK-UHFFFAOYSA-N 357.508 4.722 0 40 FJAB COc1cc(Cl)c(NC(=O)Cc2coc3cc(C)ccc23)cc1OC 11062421 XFEBXPQPIMJPLH-UHFFFAOYSA-N 359.809 4.593 0 40 FJAB S=C(NCc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12532439 CXSKYYYENOMXAU-UHFFFAOYSA-N 364.499 4.778 0 40 FJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(Cl)c(Cl)c1 12749550 RCAZHHXFDKIWHV-UHFFFAOYSA-N 370.305 4.688 0 40 FJAB Cc1ccccc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 12870388 XKFLCRNUPWKCQI-UHFFFAOYSA-N 354.500 4.889 0 40 FJAB CC(C)N(C(=O)CSc1nc2ccccc2n1-c1ccccc1)C(C)C 13147112 CROYCPATHYJJFV-UHFFFAOYSA-N 367.518 4.763 0 40 FJAB CCCOc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 15081216 WILNOXDBFWGPOO-UHFFFAOYSA-N 370.865 4.962 0 40 FJAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)CC2CCCCC2)cc1 19336210 HUJITOPTMOWIIP-XZOQPEGZSA-N 368.496 4.786 0 40 FJAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(Cn4cccn4)c3)c2c1 19715608 GBNNQENKPUABHK-UHFFFAOYSA-N 372.472 4.519 0 40 FJAB CC(=O)Oc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)cc1 25281876 ZEHQXUVDBJVZET-HSZRJFAPSA-N 373.452 4.748 0 40 FJAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12 29073514 IRIBSNDUGLZBCI-HNNXBMFYSA-N 374.469 4.540 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(Cl)ccc1Cl 32817558 JWVOFGXBTAXZGW-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB COC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)c2cc(C)ccc2n1 38486742 XKACUWNIQHLAOM-UHFFFAOYSA-N 356.809 4.735 0 40 FJAB COc1ccc(C2(CNC(=O)Nc3c(F)cccc3F)CCCC2)cc1 38489713 JDNILNVVQAIVIR-UHFFFAOYSA-N 360.404 4.607 0 40 FJAB O=C(COc1nnc(-c2cccs2)o1)c1ccc(-c2ccccc2)cc1 41105097 BXJJXBOHOGUXBJ-UHFFFAOYSA-N 362.410 4.727 0 40 FJAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCc2ccccc21 44945993 FEUSUMLAHPHZOZ-UHFFFAOYSA-N 368.480 4.842 0 40 FJAB C[C@H](c1ccccc1)n1cnnc1SCc1ccc(F)c2cccnc12 53840945 KBPUAZXOYJFZIK-CQSZACIVSA-N 364.449 4.867 0 40 FJAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC(Oc2ccccc2)CC1 55764098 GMXVGZRENZAEFX-UHFFFAOYSA-N 355.821 4.770 0 40 FJAB CN(C(=O)c1nn(-c2ccccc2)c2c1CCCCC2)c1ccccc1F 58370960 CJXDAZBMXPUIBC-UHFFFAOYSA-N 363.436 4.557 0 40 FJAB S=c1oc(-c2ccccc2)nn1CNc1ccc(Br)cc1 59475371 GFLGJEAXAXLFKH-UHFFFAOYSA-N 362.252 4.705 0 40 FJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 67258728 PNMFOWVTVGZMRZ-UHFFFAOYSA-N 350.487 4.988 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)oc12 97255243 SFJIAFBJHRIVFV-UHFFFAOYSA-N 351.280 4.592 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)C1(C)C 107347972 VSPDUSWQQZCQAU-LZQZEXGQSA-N 351.494 4.773 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)c1 138947180 VYHVDQGFKJZUGL-CQSZACIVSA-N 351.368 4.578 0 40 FJAB CC[C@@H](C)Nc1nc(Nc2ccc(F)c(Cl)c2)ncc1Br 143861531 HWJPHFYUHYHODI-MRVPVSSYSA-N 373.657 4.986 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1cncc(-c2ccsc2)c1 218821324 YSHQUUVDHNSIKJ-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSC1CCCCC1 223014392 KMWPBJCOXBEXCO-GOSISDBHSA-N 369.958 4.988 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)[nH]1 224285205 ZFWOJAHZYXAFCD-UXHICEINSA-N 362.502 4.512 0 40 FJAB COc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578343 DFDSARLFVYRWLA-UHFFFAOYSA-N 373.880 4.652 0 40 FJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)C1(c2cccs2)CCCC1 240122393 VYFHGPYEJXDLNM-OAHLLOKOSA-N 353.487 5.054 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)NCCSC1CCCCC1 409025263 OVAGBFNKKHBPCD-UHFFFAOYSA-N 362.322 4.554 0 40 FJAB Cc1nnc(-c2cccc(N[C@@H]3CCN(Cc4ccccc4)C4(CC4)C3)c2)o1 567870147 UIVXDDULJPIBRX-OAQYLSRUSA-N 374.488 4.654 0 40 FJAB Cc1ccc2nc3c(c(Nc4ccc(N5CCOCC5)cc4)c2c1)CCC3 947018 BNUPOZBDGOSFTI-UHFFFAOYSA-N 359.473 4.612 0 40 FJAB Cc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccccc4)cs3)n2)cc1 1405065 IDIPTGKEDXCYHN-UHFFFAOYSA-N 360.442 4.540 0 40 FJAB O=C(Nc1ccc(Br)cc1)Nc1cccc(Br)c1 1665921 ORURTYLIQVPMCD-UHFFFAOYSA-N 370.044 4.856 0 40 FJAB CC(C)CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 1713632 HGHIWXFWEIFLTK-KSEOMHKRSA-N 350.458 4.732 0 40 FJAB CCCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 1927069 TYVMFJJABHNMEO-UHFFFAOYSA-N 355.869 4.810 0 40 FJAB CCOC(=O)[C@@H](C)Sc1ncnc2sc(C)c(-c3ccccc3)c12 2888473 WMISCZYGRPZBKN-GFCCVEGCSA-N 358.488 4.710 0 40 FJAB CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc1 3220441 OISRRJMTVXLBRZ-UHFFFAOYSA-N 350.345 4.637 0 40 FJAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CCC2 3885046 UCULWJOGCNNOQC-GXDHUFHOSA-N 359.381 4.539 0 40 FJAB COc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)cc1 4000158 NHWXQGNCQKMEBQ-BWSGXRDBSA-N 362.473 4.871 0 40 FJAB biogenic CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 4372496 LEANRCCSPXJZNO-UGKGYDQZSA-N 366.436 4.655 0 40 FJAB CCSc1nc2ccccc2n1C(=O)/C=C\c1ccc(OC)c(OC)c1 4567636 NJKXCECKMAPPHS-BENRWUELSA-N 368.458 4.519 0 40 FJAB C[C@H](c1ccccc1)[C@H](CC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 4602060 GOONKHBSKADUIL-RISCZKNCSA-N 366.244 4.827 0 40 FJAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)CC(C)C)cc1 4815052 OZBTWSPMJCCPTK-NHCUHLMSSA-N 374.488 4.700 0 40 FJAB O=c1[nH]c(/C=C/c2ccc(Cl)c(Cl)c2)nc2sc3c(c12)CCC3 5268627 OJLGBEDJZYZKPF-FNORWQNLSA-N 363.269 4.951 0 40 FJAB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1ccccc1 5360648 JATFPAPIXJORGC-HAVVHWLPSA-N 359.477 4.617 0 40 FJAB CC(C)c1ccc(C(=O)CSc2nnc3ccccn23)c(C(C)C)c1 6114772 URXCIIQYOCRBCE-UHFFFAOYSA-N 353.491 4.951 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CSc2nc3ccccc3s2)cc1 6150896 AUPBBTWDRXMWCJ-CYBMUJFWSA-N 371.483 4.511 0 40 FJAB C=CCn1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 6325093 VTRQXFGCXVYNDL-FOLIBTTPSA-N 367.518 4.916 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c(C)c1 6501519 ZVUYXYRMMNFAIG-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccccc2)on1 7616104 GXFRRLXQPYQPCZ-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB Cc1cccnc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1 7736988 NSDHCOQKHNIPGA-UHFFFAOYSA-N 352.821 4.875 0 40 FJAB CCCCc1nnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 7996129 RRUBCSGANBTBJW-UHFFFAOYSA-N 358.492 4.565 0 40 FJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1 8194613 YQEBZBXGLXULEP-UHFFFAOYSA-N 368.864 4.959 0 40 FJAB C(=C/c1nn2c(CSc3ccccc3)nnc2s1)\c1ccccc1 8393266 ZQIVAXYQUFLPDS-VAWYXSNFSA-N 350.472 4.649 0 40 FJAB Cc1ccc2cc3c(NC(=O)c4cccs4)nn(CC(C)C)c3nc2c1 9350952 YSMSOZMPFWUZFV-UHFFFAOYSA-N 364.474 4.863 0 40 FJAB COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120012 GWYIPOJNXOOPDS-UHFFFAOYSA-N 358.397 4.680 0 40 FJAB CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 11725514 HGNKOYGWKJJREN-IBGZPJMESA-N 359.853 4.880 0 40 FJAB CCOc1ccc(-n2ccnc(SCc3cc(C)ccc3C)c2=O)cc1 12361018 HZUTVYICUHAMLQ-UHFFFAOYSA-N 366.486 4.540 0 40 FJAB C[C@H](Oc1ccccc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 12409303 TZPAJGWWQILOHC-ZDUSSCGKSA-N 373.441 4.541 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1nn(-c2ccccc2)c2c1CCC2 13016389 YVFZFKPXIPRSGZ-UHFFFAOYSA-N 372.255 4.920 0 40 FJAB CCCCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 15832421 IRXGKPBBCBOHHV-UHFFFAOYSA-N 366.486 4.919 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 16598114 LTJYZYHEFUJZAN-UHFFFAOYSA-N 355.397 4.558 0 40 FJAB COc1ccc(C)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1 16850229 QKVRNHMQQVJBCD-UHFFFAOYSA-N 371.437 4.524 0 40 FJAB CC[C@H](C)N(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@H](C)CC 19316462 ZKAPOWNFQZVGRH-IYBDPMFKSA-N 373.566 4.827 0 40 FJAB c1cnc2c(CN[C@@H](Cc3ccsc3)c3nccs3)cccc2c1 19347323 VUKMOODEOZGLQC-KRWDZBQOSA-N 351.500 4.826 0 40 FJAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 19910699 YNGKMBYRNLXVKW-UHFFFAOYSA-N 370.412 4.620 0 40 FJAB COC(=O)c1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 19945513 DCQIPJBZIPVFBC-UHFFFAOYSA-N 357.837 4.577 0 40 FJAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OC 19987142 STILNPZRCIHHQJ-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB Cc1n[nH]c(SCc2ccc(NC(=O)c3cccc4ccccc34)cc2)n1 20293654 IKGLNTGHPYZSSC-UHFFFAOYSA-N 374.469 4.811 0 40 FJAB CC(C)Oc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 20455532 ISMJUNKKSNVCCD-UHFFFAOYSA-N 363.910 4.926 0 40 FJAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc(Cl)ccn1 21021331 AEQZPQYRTBOVJJ-UHFFFAOYSA-N 373.909 4.912 0 40 FJAB COc1ccc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)cc1Cl 22107384 ITAYADLKRQMDPZ-QKKBWIMNSA-N 371.864 4.820 0 40 FJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1C1CCCC1 28608835 XEVPLJBCOKGVOQ-UHFFFAOYSA-N 354.450 4.943 0 40 FJAB Clc1ccc([C@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1 35655286 FWDWYWPDCCFGDL-MRXNPFEDSA-N 370.890 4.887 0 40 FJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Sc2ccccc2)c1 39981659 SLLMLKJVVDRMFI-HNAYVOBHSA-N 371.502 4.548 0 40 FJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104626 AQPHCSSKNOLCPM-CQSZACIVSA-N 371.456 4.579 0 40 FJAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 57398981 KJMFZPIBOFHPNZ-QGZVFWFLSA-N 362.395 4.713 0 40 FJAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 59488481 LWHSAAHZAUAVCJ-INIZCTEOSA-N 370.880 4.674 0 40 FJAB C[C@H](Sc1nnc(-c2cc3ccccc3o2)n1C)C(=O)c1ccccc1 72191448 ZYHDKWKYDQKIKQ-ZDUSSCGKSA-N 363.442 4.592 0 40 FJAB O=C(Nc1nc(-c2ccco2)cs1)c1cccc(Oc2ccccn2)c1 96122639 YTRDOPFEYOIYLB-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(OCc2ccccc2Cl)cc1 100098748 GZOIADSRYIUVIJ-KKVAFCGZSA-N 355.865 4.837 0 40 FJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)cc1 102699517 FFXSMVWJBYTDTL-OFNKIYASSA-N 362.473 4.824 0 40 FJAB Cc1noc2c1[C@@H](c1cccnc1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102726767 WBSCCSKSHRJOCG-MGPUTAFESA-N 373.412 4.691 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(Cl)c3)N21 222665012 RCOGFSMZVNJCSV-MORSLUCNSA-N 373.909 4.723 0 40 FJAB O=C(CSCc1ccc(Cl)cc1Cl)NCCc1ccccc1 222714918 XHHPSMQTSCUZMR-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1C 224095016 KHENKELQZFVHBK-UHFFFAOYSA-N 353.462 4.645 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc21 225074205 ZXRWJKQWUHHLNQ-UHFFFAOYSA-N 367.257 4.642 0 40 FJAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)N1CCCCC1 225151203 XFMFWFKBWGVXGO-GOSISDBHSA-N 359.853 4.614 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259372 JEOJVSVHWLZSEO-KRWDZBQOSA-N 369.468 4.981 0 40 FJAB CCCCC[C@@H]1O[C@H](OC)c2c3c(cc(O)c2[C@@H]1OC)C=CC(C)(C)O3 225420597 HSPFKRKQHGQFJG-BEVDRBHNSA-N 362.466 4.888 0 40 FJAB biogenic,in-vitro CCCO[C@](C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C1CC1 225671160 QJGIWFDPWFYQFQ-QFIPXVFZSA-N 353.462 4.799 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 225717988 ZWBOMTKQYCSOAM-OAHLLOKOSA-N 364.898 4.795 0 40 FJAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 257259929 LARSFAQXRPZVNA-JTAQYXEDSA-N 371.569 4.577 0 40 FJAB Cc1ccc(C)n1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 522720701 SBQFVQGNBJEXGB-UHFFFAOYSA-N 350.384 4.601 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1 522919228 NZZKELCOJITSSB-LJQANCHMSA-N 365.864 4.636 0 40 FJAB Cc1cc([C@@H](C)N2CCC(Cc3c(F)cccc3F)CC2)oc1C(=O)O 568296754 URIQLHXEBUWGEW-CYBMUJFWSA-N 363.404 4.580 0 40 FJAB Cc1cc(CN(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccn1 621272408 PTUJJYZLUMORKW-UHFFFAOYSA-N 356.857 4.504 0 40 FJAB Cc1ccc([C@H]2CCN(C(=O)c3cccc4cc(O)ncc34)C2(C)C)cc1 1583668330 PDMHSDAUBMAZLB-HXUWFJFHSA-N 360.457 4.657 0 40 FJAB Cc1ccccc1NCc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 992752 BNMIOWLBLOPSKC-UHFFFAOYSA-N 359.425 4.647 0 40 FJAB CC(=O)c1oc2nc3c(c(C)nn3-c3ccccc3)c(-c3ccco3)c2c1N 2585267 ZYCRAYVCRMSJLF-UHFFFAOYSA-N 372.384 4.520 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(NCc3ccccc3)s2)cc1 2651067 LPNZTBRMSFJWGK-AWEZNQCLSA-N 369.515 4.822 0 40 FJAB CCCCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721314 OOYAXVGRTIQKCH-AWEZNQCLSA-N 355.869 4.981 0 40 FJAB O=C(CSCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1 3211958 CGYHTFXKTCRMSA-UHFFFAOYSA-N 373.477 4.812 0 40 FJAB COC(=O)c1ccccc1/C(Cl)=C(/Cl)c1ccccc1C(=O)OC 3845502 AKZAADMIHQBAJI-NXVVXOECSA-N 365.212 4.563 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)c1 4070416 QQCRXVISYQPDLQ-UHFFFAOYSA-N 351.475 5.000 0 40 FJAB Cc1ccc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 4657388 ZNNFKLBBRPCSQU-NOCBQHASSA-N 370.562 4.513 0 40 FJAB Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Br)c1 4678526 VLZBRDFLPBTUBE-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB CCc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 4888023 USTOUUZXGBUVQB-YQQQUEKLSA-N 367.493 4.549 0 40 FJAB CO[C@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 4896288 IENZOKQPSSBWKD-DNQXCXABSA-N 359.469 4.760 0 40 FJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C)C2)cc1Cl 6598482 VVLRHHWLHILNTA-FOIQADDNSA-N 372.896 4.760 0 40 FJAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c1 7929133 HKQCOLHVNLIEAX-GOSISDBHSA-N 365.473 4.694 0 40 FJAB CC[C@@H](CO)NCc1c(OCc2ccccc2Cl)ccc2ccccc12 8326254 XQKURUITCVXKJN-SFHVURJKSA-N 369.892 4.933 0 40 FJAB Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 8391189 GQQKPZPRQDACND-JOCHJYFZSA-N 365.860 4.933 0 40 FJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(OC)c1 9594424 WJJLVVJZNRLBIJ-UHFFFAOYSA-N 359.882 4.919 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 10277957 CBSRXWAJHHTJGD-DYESRHJHSA-N 368.477 4.665 0 40 FJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503797 ILFXGDYPWHLPBL-CQSZACIVSA-N 373.378 4.602 0 40 FJAB COc1ccc(NC(C)=O)cc1NCc1cc2ccc(C)cc2nc1Cl 11620494 HRDUARSZNKPMSQ-UHFFFAOYSA-N 369.852 4.776 0 40 FJAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 12557042 HYIJCQKPNQKVKT-UHFFFAOYSA-N 369.286 4.525 0 40 FJAB O=C(NCCCn1ccc2ccccc21)C1(c2ccc(Cl)cc2)CC1 12563309 YONYYYBAYAXCFJ-UHFFFAOYSA-N 352.865 4.533 0 40 FJAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 16087288 CKKCBLJEZRQXQL-VMPCVLLUSA-N 356.274 4.645 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)O)ccc1Cl 20141315 XVJYGUORFJAPSW-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 20896869 AOIFYJDEXWIOFA-UHFFFAOYSA-N 355.434 4.808 0 40 FJAB O=C(c1occc1-c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 25613382 WYDJGVMZYAZTJA-UHFFFAOYSA-N 369.424 4.752 0 40 FJAB CCOc1cccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)c1 27584646 NPWPWBDZAZPQDL-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB CC(=O)c1ccc(OCc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)cc1 28230985 ASXJGUYWEOVIKW-HNNXBMFYSA-N 363.413 4.552 0 40 FJAB Cc1ccc2c(C)c(C(=O)Nc3ccnn3Cc3cccs3)oc2c1 28405181 PJIUERSYFQIBPN-UHFFFAOYSA-N 351.431 4.608 0 40 FJAB Cc1c(C(=O)Nc2cccc(Cn3cccn3)c2)sc2cccc(F)c12 31968568 NOIPBVVYXXHJDA-UHFFFAOYSA-N 365.433 4.846 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)cc1 44880422 NREGCEYFVNFGJF-PXNSSMCTSA-N 355.478 4.655 0 40 FJAB Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 57364747 OPBPNELEYQRZBO-KGLIPLIRSA-N 350.384 4.692 0 40 FJAB Cc1csc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n1 61718257 SOHJAZLYTXOWAI-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB Cn1ccnc1Sc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 65565793 GKJQOBCAPSYXNV-DHZHZOJOSA-N 369.877 4.877 0 40 FJAB Fc1ccc(-c2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)cc1 71889752 YFIZCMCXLXXYJV-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB Cc1ccccc1OC[C@H](O)Cn1c(C2CCCCC2)nc2ccccc21 76556323 IVWMUACRHHQSPC-LJQANCHMSA-N 364.489 4.832 0 40 FJAB O=C(N1CCC(CSc2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 85557467 PNDQJVWILSNWCI-UHFFFAOYSA-N 370.562 4.629 0 40 FJAB Cc1nc(CNc2ccc(OC(F)(F)F)cc2Br)cs1 95975421 IPBAIFCHMZVVOJ-UHFFFAOYSA-N 367.190 4.725 0 40 FJAB CCC[C@@]1(C(F)(F)F)CCCN1Cc1cnc(-c2ccccn2)s1 97032761 CWUHEHZPJIHLMT-INIZCTEOSA-N 355.429 4.902 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222665695 SZUJNPDSUNXJBO-KRWDZBQOSA-N 374.484 4.939 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSc1ccccc1 223009088 DPXCHOAOUGGFTR-GOSISDBHSA-N 363.910 4.714 0 40 FJAB O=C(NCCOc1cccc2ccccc12)C1(c2ccccc2)CCCC1 223575017 CVHIMCDDIBNRAI-UHFFFAOYSA-N 359.469 4.847 0 40 FJAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(C)cc1 224121707 SOUYUTJBVVGUCK-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224435478 XMCAOMJENUUPHM-FQEVSTJZSA-N 369.505 4.645 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 224607829 UEROSARZLLCLGT-SFHVURJKSA-N 360.457 4.695 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COCC(C)C 224738457 JTSXEVKIHWAWIF-UHFFFAOYSA-N 357.450 4.519 0 40 FJAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1 225613986 SPBMXCXVAOOWJY-OAHLLOKOSA-N 372.774 4.604 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccccc2C)c1C 225758315 CBQYVZWQXKZTPF-GOSISDBHSA-N 370.518 4.918 0 40 FJAB Fc1ccc(C2(CNC(=S)Nc3ccc(F)cc3F)CCCC2)cc1 225810428 PBXWOVWXYLIBHZ-UHFFFAOYSA-N 364.436 4.902 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccco3)CCCC2)c1 225864431 ISNSNLWJLHXXOE-UHFFFAOYSA-N 372.490 4.521 0 40 FJAB COc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1 408892674 BRLYWZBAGXNBJO-UHFFFAOYSA-N 374.849 4.843 0 40 FJAB Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1C1CC1 409135389 UYBDYOBASSLHEI-UYRXBGFRSA-N 366.486 4.719 0 40 FJAB CCOc1ccc(OCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 662908 PFYHIPFHBGUSAU-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB CCCN(CCC)c1ccc(CC(=O)N[C@@H](C)Cc2ccccc2)cc1 825326 KCLKFJVOXMQQQD-IBGZPJMESA-N 352.522 4.603 0 40 FJAB C/C(=C(/NC(=O)c1ccccc1)C(=O)Nc1ccc(C)cc1)c1ccccc1 2126952 YLJNOYDRTJZDDO-PYCFMQQDSA-N 370.452 4.795 0 40 FJAB O=C(CN(C1CCCCC1)C1CCCCC1)N1CCc2ccccc2C1 2642719 YJGMGNKJGNMJOH-UHFFFAOYSA-N 354.538 4.539 0 40 FJAB Cc1cc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)ccc1F 2685089 ABVQKHJEJFTSFW-UHFFFAOYSA-N 356.374 4.801 0 40 FJAB CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2c(CC)cccc2CC)c1C 2685898 UAEAFKZXZKVDSW-UHFFFAOYSA-N 357.454 4.577 0 40 FJAB O=C(CCc1ccccc1)Nc1nnc(SCc2cccc(F)c2)s1 4087836 XBYPVKIPYVWLJD-UHFFFAOYSA-N 373.478 4.541 0 40 FJAB O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccco1 4162538 APQWRDMZBKVIOI-UHFFFAOYSA-N 364.332 4.670 0 40 FJAB Cc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)N2Nc2ccccc2)cc1 4567334 ZVYLQBPHJYSOIR-QNGOZBTKSA-N 371.415 4.791 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 4854170 QQUWJKDXZFVXEN-IBGZPJMESA-N 351.837 4.779 0 40 FJAB c1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccco4)SC3)cc2)cc1 5092572 GFCKZXRXKYQREV-UHFFFAOYSA-N 358.426 4.563 0 40 FJAB COc1cccc(NCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)c1 5516586 JNSZFNLDSCHYOV-UHFFFAOYSA-N 373.408 4.786 0 40 FJAB aggregator,biogenic COc1ccc(CCN(C)C(=O)Nc2cccc3ccccc23)cc1OC 5525292 DRNLZPBWTGVHPU-UHFFFAOYSA-N 364.445 4.563 0 40 FJAB CC(C)Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F 6598748 YARQXGHNBKEUBO-UHFFFAOYSA-N 366.820 4.818 0 40 FJAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1C 8105264 CWWRIPCIZZIEEH-INIZCTEOSA-N 350.487 4.933 0 40 FJAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc2ccccc12 8156315 HUSQTVFTRUHEML-AWEZNQCLSA-N 359.454 4.902 0 40 FJAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1C 8185822 QGQUPILHISOYFI-CQSZACIVSA-N 355.507 4.779 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1 8269502 VAFJLCBSQALYAU-UHFFFAOYSA-N 371.767 4.519 0 40 FJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)O)cc1 8720901 XGGYNOALMDYQAQ-BTYIYWSLSA-N 372.424 4.713 0 40 FJAB CSc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 8734960 GBCREYSJLWHXLJ-UHFFFAOYSA-N 356.422 4.774 0 40 FJAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@H](C)c2cccs2)c1Cl 9458946 YQBKOPXJRBMNEK-LLVKDONJSA-N 357.306 4.995 0 40 FJAB COc1cccc2c(C)cc3nnc(SCc4ccc(F)cc4)n3c12 11907895 QWEOFWJYKJTNHG-UHFFFAOYSA-N 353.422 4.631 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12586173 UIWBHFJOGZJACD-CQSZACIVSA-N 351.475 4.866 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708326 FGDZKHPKIKJNDV-ZDUSSCGKSA-N 355.821 4.908 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1ccc(F)cc1F 18015759 YCMMTMGROARATL-ZDUSSCGKSA-N 352.384 4.826 0 40 FJAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)cc1C 19213867 NTRDJSOGZCPLDN-QFIPXVFZSA-N 359.473 4.526 0 40 FJAB CCCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20141741 MKQNEGRWCDMPQK-UHFFFAOYSA-N 365.429 4.788 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 20528892 UIMIHHUARIJNSP-UHFFFAOYSA-N 355.434 4.539 0 40 FJAB CCc1ccc(N(CC(=O)c2ccc(F)cc2)C2=N[C@@H](CC)CS2)cc1 27525254 JFGFHITVHMUQKM-SFHVURJKSA-N 370.493 4.959 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccccc2)o1 29885023 OASDHNSRAPGSPX-HRAATJIYSA-N 373.452 4.906 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 32777522 FSAGXRZMMTZQEO-GFCCVEGCSA-N 367.276 4.634 0 40 FJAB Cc1cccc2sc(C(=O)NC[C@H](c3ccccc3)N(C)C)c(Cl)c12 32906820 PFNVXLSZQZEUSZ-OAHLLOKOSA-N 372.921 4.896 0 40 FJAB Cc1cc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2cc1C 35288734 FTCLWZBMGBMFSN-NSHDSACASA-N 353.491 4.521 0 40 FJAB Cc1ccsc1-c1nnc2sc(-c3cnoc3-c3ccccc3)nn12 35326433 GIQGVZLLBDZMOV-UHFFFAOYSA-N 365.443 4.545 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(Cl)c2)c1 36360315 DSHUOWMRBRSEHX-INIZCTEOSA-N 353.809 4.658 0 40 FJAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1C 38835178 LJTUGGUWKCUQJC-GOSISDBHSA-N 356.897 4.808 0 40 FJAB O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl 40096575 DIWFUTYSTWJGPN-CQSZACIVSA-N 359.640 4.502 0 40 FJAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCOCC2)cc1 63930102 YZOYMQOHEMGLHX-UHFFFAOYSA-N 372.424 4.675 0 40 FJAB COC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc(C)c1C 67339793 SGVZVHUJQPSNPE-BQYQJAHWSA-N 369.442 4.858 0 40 FJAB CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215613 KJXMQVPOIUMVRT-GOSISDBHSA-N 359.514 4.923 0 40 FJAB Fc1cccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)c1 72348820 CMHMRWWZLDGHEB-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1csc(COC)n1 84810945 JXBOVIVHIWCWQJ-ZDUSSCGKSA-N 374.506 4.621 0 40 FJAB C[C@@H](NC1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90799984 TUZAINVKHTTYJS-BZFQTPOWSA-N 355.322 4.678 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OC(C)C 219744834 ZWDRLUAVRBXDTB-GOSISDBHSA-N 353.462 4.814 0 40 FJAB COc1ccc(-c2ncc(C(=O)Nc3c(C)cc(C)cc3C)c(C)n2)cc1 223145879 GLTJWPXWWXRTEK-UHFFFAOYSA-N 361.445 4.638 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CCCc2ccccc21 225066123 UVLAZNKTJMFOJQ-GOTSBHOMSA-N 363.501 4.917 0 40 FJAB O=C(C1CCCCC1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225263279 JMQOBECAHYCXIE-GZTJUZNOSA-N 371.531 4.659 0 40 FJAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408594025 DFLVOGOKUSKCSG-UHFFFAOYSA-N 367.301 4.991 0 40 FJAB O=C(Nc1ccccc1)[C@H](NCc1ccccc1)c1ccc(Cl)cc1 408734028 DDHHXHGKGIABDK-HXUWFJFHSA-N 350.849 4.810 0 40 FJAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(OC(C)C)cc3)sc2n1 950116 LBRMBCYBBKPUSW-UHFFFAOYSA-N 355.463 4.535 0 40 FJAB Cc1ccc(C)c(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1 1026429 KOPYJLUBRCVGLH-UHFFFAOYSA-N 374.469 4.810 0 40 FJAB O=C(C1CC1)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1337743 WHUMCSLFDARFEY-UHFFFAOYSA-N 361.470 4.853 0 40 FJAB C1CCC2(CC1)COC1(CCC3(CC1)OCC1(CCCCC1)CO3)OC2 1711205 WYMPXCDREHLNRC-UHFFFAOYSA-N 364.526 4.948 0 40 FJAB CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(C)c1C 2193993 LUERUDORCQEBHN-UHFFFAOYSA-N 361.854 4.882 0 40 FJAB O=C(CCc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 2240738 IONFRQPTQRYFKG-UHFFFAOYSA-N 359.385 4.568 0 40 FJAB NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N 2255194 WNPYINSNRDXVMW-UHFFFAOYSA-N 369.446 4.512 0 40 FJAB Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1 2601937 HZIHNGNMMJBILH-YJBOKZPZSA-N 373.250 4.527 0 40 FJAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1Cl 2731532 NYKVPBGFWBKWIL-UHFFFAOYSA-N 355.202 4.611 0 40 FJAB COc1ccccc1Nc1ccc(NC(=S)NCc2ccccc2)cc1 3370052 NHDZUCLCXXXQCG-UHFFFAOYSA-N 363.486 4.925 0 40 FJAB CCCN(Cc1ccccc1)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 3384475 QIYXRCMWBVNVIS-LAUBAEHRSA-N 361.913 4.691 0 40 FJAB Clc1ccccc1CSc1ccc2nnc(-c3cccs3)n2n1 4326777 LYHPXJOYFZFHGH-UHFFFAOYSA-N 358.879 4.799 0 40 FJAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)o1 5030015 MOVVVHJWCNHYEC-YLJYHZDGSA-N 365.820 4.879 0 40 FJAB O=S(=O)(Nc1cccc2ccccc12)c1cccc(Cl)c1Cl 6317234 VCQFXNIDGRLFTD-UHFFFAOYSA-N 352.242 4.947 0 40 FJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 6514553 HFEXTAKSAJFCKR-UHFFFAOYSA-N 359.665 4.774 0 40 FJAB CSc1nc2ccc(NC(=O)CCC(=O)c3cccs3)cc2s1 6602756 FHPAWCVFKQWBNO-UHFFFAOYSA-N 362.501 4.681 0 40 FJAB C[C@@H]1C[C@@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(=O)O1 8326251 SOIHZPDWALMKBI-CZUORRHYSA-N 351.427 4.805 0 40 FJAB CCCCN(CC)Cc1c(C)nc2ccc(Br)cc2c1O 8714078 UCOXSEPSZDYGLK-UHFFFAOYSA-N 351.288 4.633 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3cc(C)ccc3C)ccc21 9137082 ADZZTNKFLUOQBU-UHFFFAOYSA-N 350.462 4.635 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCC1=CCCCC1 9315228 ZBJQJYMPYDTLDQ-UHFFFAOYSA-N 358.463 4.522 0 40 FJAB O=C(c1ccc(COc2ccccc2)o1)N(Cc1ccc(F)cc1)C1CC1 9477124 RFXVFVFPMWHSAM-UHFFFAOYSA-N 365.404 4.803 0 40 FJAB c1csc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 9832106 DCPMTDTYHMPVAI-UHFFFAOYSA-N 360.533 4.968 0 40 FJAB O=C(COc1cc(Cl)ccc1Cl)N[C@@H](c1ccccc1)C1CC1 11217681 GEHNRHBIVASMPY-SFHVURJKSA-N 350.245 4.640 0 40 FJAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(F)ccc3F)cc2)CC1 12601793 BUSKNAVGUWSOBM-HNNXBMFYSA-N 373.447 4.640 0 40 FJAB C[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1ccc(-c2ccccc2)cc1 12980353 HPFQNXHHRRNECJ-MRXNPFEDSA-N 368.436 4.686 0 40 FJAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)n2)c1 13036982 CTJJYNACPCDWQN-GOSISDBHSA-N 361.445 4.689 0 40 FJAB CC(C)c1nc2oc3c(=O)n(Cc4ccccc4)cnc3c2c2c1CCCC2 13693336 ZBKHPDQKMDTPPR-UHFFFAOYSA-N 373.456 4.588 0 40 FJAB CC(C)c1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)[nH]1 14201256 DJPPLIDMFRAKRY-KRWDZBQOSA-N 370.547 4.731 0 40 FJAB CC(C)Sc1nc2ccccc2n1CC(=O)N1c2ccccc2C[C@H]1C 15913184 GOTJTMCORCMCOI-OAHLLOKOSA-N 365.502 4.515 0 40 FJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)C3CCCC3)c2)cc1 19691330 CQSHVMKGLVGIBC-QFIPXVFZSA-N 364.489 4.919 0 40 FJAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)N(c2ccccc2)c2ccccc2)C1 19823677 OGXXNCFSMLNHCZ-RTBURBONSA-N 364.489 4.636 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1C 20460501 VXUGOLFTPIULLE-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB COc1ccc(OC)c(CNC(=O)c2sc3ccccc3c2Cl)c1 23305954 OIVOGNGNUNYSSX-UHFFFAOYSA-N 361.850 4.502 0 40 FJAB Cc1cccc(OCC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1 24384091 RMMKFAOPZXTSSX-GOSISDBHSA-N 366.486 4.737 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1Cc2ccccc2O1 24709538 DUBCTDOZWDSVJT-DHIUTWEWSA-N 369.420 4.642 0 40 FJAB COc1ccc2nc(S[C@H](C)c3nc(-c4cccs4)no3)[nH]c2c1 26008261 MNFCYRZCZZBXBX-SECBINFHSA-N 358.448 4.536 0 40 FJAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccc(Br)s1 26073206 URYGIIBVKDQWMK-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3nc2C)cc1 32856154 OYBXOYONJLTOED-OAQYLSRUSA-N 364.420 4.668 0 40 FJAB Cc1ccc([C@@H](NC(=O)Nc2ccc3c(c2)OCO3)c2cccs2)cc1 32869820 KCGJDKWOMPHKMX-LJQANCHMSA-N 366.442 4.696 0 40 FJAB Cc1noc(C)c1CSCC(=O)N[C@@H](C)c1ccc2ccccc2c1 36770114 QUPVFHLDDSMSOC-ZDUSSCGKSA-N 354.475 4.555 0 40 FJAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39761042 GPNUIJWQSJMPKA-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB O=C(COc1cccc(Cl)c1Cl)N1CCC[C@H]1c1cccs1 48272759 HYDNYGSVCBHCTP-LBPRGKRZSA-N 356.274 4.797 0 40 FJAB C[C@H](CNC(=O)/C=C/c1c(F)cccc1F)c1nc2ccccc2s1 65595121 CKVHIENRBJDREJ-BZYZDCJZSA-N 358.413 4.508 0 40 FJAB Cn1c(-c2cccc(NC(=O)COC3CCCCC3)c2)nc2ccccc21 70036481 KSTBAOZFEFMZPG-UHFFFAOYSA-N 363.461 4.528 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)C1(C)C 71895326 ONLSOJYRYUVMGS-KDOFPFPSSA-N 360.885 4.644 0 40 FJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc4ccccc4c3)[nH]n2)c1 72238540 WTDQZEIMGFJWLK-UHFFFAOYSA-N 357.413 4.805 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349003 BXFQOGPTMJNAJG-JOCHJYFZSA-N 370.496 4.621 0 40 FJAB Cc1[nH]c2ccccc2c1C1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 89534419 YEHKPUWQPBRFFY-NRFANRHFSA-N 370.443 4.668 0 40 FJAB CCN(C(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 89969508 JULUHDCHCDJRIQ-SFHVURJKSA-N 373.500 4.699 0 40 FJAB Cc1ccc(-c2cs/c(=N\C(=O)C(C)C)n2-c2ccc(C)cc2)cc1 100841015 YIEDWGGOUSPLNU-DQRAZIAOSA-N 350.487 4.906 0 40 FJAB Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)o1 216816035 AGKHFRULTFUSLI-UHFFFAOYSA-N 370.623 4.858 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219549808 SNVNMIITERNJCB-FXAWDEMLSA-N 367.489 4.798 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223134859 GSMGBBJCWDOJHG-CYBMUJFWSA-N 362.454 4.949 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)NCCOc1ccc2ccccc2c1 223582015 PZKNHZUCQGSWJJ-QGZVFWFLSA-N 365.498 4.657 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1C 224102016 CYFKGIDANOENBY-UHFFFAOYSA-N 353.462 4.599 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)CC)o2)cc1 224915468 WJMIOZIFVADNEY-HNNXBMFYSA-N 364.445 4.936 0 40 FJAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OCC 225065466 UURRBXHFATYLGT-KRWDZBQOSA-N 369.461 4.516 0 40 FJAB CCOCCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225370309 QKQVTZRTPLPLCK-UHFFFAOYSA-N 360.548 4.692 0 40 FJAB Cc1cnccc1CN1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 2037988735 GMKTWXBOGYDCHS-JOCHJYFZSA-N 353.485 4.553 0 40 FJAB CCOc1cc(C(=O)NCc2cccc3ccccc23)cc(Cl)c1OC 667545 ZTNBLJMUARQAKZ-UHFFFAOYSA-N 369.848 4.831 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc(Br)c1 865340 KZYPTIVHJYVHBU-UHFFFAOYSA-N 352.231 4.953 0 40 FJAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)c1 990705 IDNICEBBFZPKSO-MOPGFXCFSA-N 353.418 4.617 0 40 FJAB O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccccc1O 992780 OPYITLSYJRSYEJ-UHFFFAOYSA-N 365.772 4.639 0 40 FJAB CCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCC)c(Cl)c1Cl 1605859 CSCPMMVUJUFKHG-UHFFFAOYSA-N 360.020 4.654 0 40 FJAB C[C@H](NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccccc1 2322263 UFSKYRUFWVCZIA-JTQLQIEISA-N 362.212 4.591 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2)c1 2362950 TZMJVMXAFXOHBG-SNVBAGLBSA-N 354.233 4.502 0 40 FJAB Cc1ccc(-n2ncc3c(SCc4ccccc4F)ncnc32)cc1 2454367 ABWCAVFIMDQOQQ-UHFFFAOYSA-N 350.422 4.555 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(Oc2ccccc2)c1 2561958 IKJRJUQSXZXDRH-UHFFFAOYSA-N 356.425 4.933 0 40 FJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cn1 3450712 SETKDDJYEXYFDP-UHFFFAOYSA-N 366.031 4.713 0 40 FJAB CC(C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3492355 TVHXUEJISHWAHG-UHFFFAOYSA-N 352.459 4.625 0 40 FJAB CC(C)=CCOc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4340018 CIIVHXZGYZXBBY-UHFFFAOYSA-N 374.392 4.911 0 40 FJAB biogenic O=C(Nc1ccc(N2CCCC2=O)cc1)c1sc2ccccc2c1Cl 4520613 YFDRECAKNILBGU-UHFFFAOYSA-N 370.861 4.934 0 40 FJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)cc1C 4538971 KTOKZMPPILEBST-UHFFFAOYSA-N 369.515 4.528 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NCCc2ccccc2)cc1 4699146 CTMQCSXNJLGVIA-GOSISDBHSA-N 366.505 4.524 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1ncoc1-c1ccc(Cl)cc1 5002042 JOHQQRNKXCGBFY-AWEZNQCLSA-N 354.837 4.746 0 40 FJAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)c(C)c1 5053237 UBDHBUFRKIPGCT-UHFFFAOYSA-N 354.475 4.628 0 40 FJAB CN(C)CCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 5345728 KOUSBZMTRLNIFB-UHFFFAOYSA-N 372.472 4.920 0 40 FJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 5439846 VMQUBRXJMJTKOQ-UHFFFAOYSA-N 356.425 4.733 0 40 FJAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 5556339 MBRIECLSPOQFBS-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)c1 5635962 QYCWNETXSSXQDK-LJQANCHMSA-N 365.454 4.902 0 40 FJAB Cc1ccc(CSc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 6237432 XBZMEBSBCVCINQ-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB CCc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 6461113 HFBMFJUPRZAQRT-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2CC)cc1 6609334 SNZTYEUFTJOVLI-HNNXBMFYSA-N 365.502 4.891 0 40 FJAB CCOc1ccc(Cl)cc1/C=C1\S/C(=N\C(C)C)N(C(C)C)C1=O 6963815 XSTKFDURVNODLE-XXUJCTABSA-N 366.914 4.828 0 40 FJAB CC(C)N(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 8690610 UVKXUOBABZMSIX-UHFFFAOYSA-N 350.434 4.895 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2[nH]cnc2c1 8718781 LRJKETLZSYXPFU-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccnn1Cc1cccs1 9365201 ZQYGYKKGMLNYJC-UHFFFAOYSA-N 373.481 4.841 0 40 FJAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccco2)c2ccccc21 9553860 XNRYWAARYGRZBL-KKSFZXQISA-N 374.440 4.813 0 40 FJAB Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1Cc1ccccc1 11905594 RBMXZBGRKISOSS-UHFFFAOYSA-N 356.878 4.615 0 40 FJAB CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1F 12520348 QXTYWKLJTIFHFC-UHFFFAOYSA-N 357.454 4.562 0 40 FJAB C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1F 12787202 UIHHZVVHSOBOKL-SECBINFHSA-N 356.622 4.733 0 40 FJAB CCOc1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 15838681 VFMJYDMGKACBKT-UHFFFAOYSA-N 371.820 4.676 0 40 FJAB COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)N[C@@H](c1ccc(C)cn1)C2 19216063 HMBKCWCSBRFTPX-FGZHOGPDSA-N 374.484 4.578 0 40 FJAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1-c1cccs1)c1cccs1 21493682 BWMNYESWTMVSFS-INIZCTEOSA-N 370.499 4.683 0 40 FJAB O=C(CCc1cnn(-c2ccccc2)c1)Oc1cccc(Cl)c1Cl 21675412 XWWZFSIIBSOTED-UHFFFAOYSA-N 361.228 4.717 0 40 FJAB Cc1ccc(C(C)C)c(OCCN2C(=O)[C@@H](C)CNc3ccccc32)c1 31903334 HAKZRWXCQXXHJV-KRWDZBQOSA-N 352.478 4.592 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc(=N)n2CC(=O)c2ccc(Cl)cc2)C1 34172662 HRFUOUXUXLICCS-CYBMUJFWSA-N 362.926 4.716 0 40 FJAB COc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)c1 36618575 NBIFIIZWHDFYRR-UHFFFAOYSA-N 351.372 4.551 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)Cn2nc(C)c(Cl)c2C)cc1 40146612 CXQLNKUTZJCDCG-UHFFFAOYSA-N 369.852 4.893 0 40 FJAB COc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OC(F)F 43995353 VZDOKWNYLVTJQD-SNVBAGLBSA-N 370.783 4.833 0 40 FJAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H](c2nc3ccccc3o2)C1 46407731 JTCZUCBOTKYXNE-ZDUSSCGKSA-N 372.827 4.569 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccc(N2CCCCC2)cc1 59477077 DUGPFNPJUHXCAO-UHFFFAOYSA-N 360.457 4.848 0 40 FJAB Cc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c(C)n1 71946643 HGOQMWZHCKZATB-UHFFFAOYSA-N 350.393 4.560 0 40 FJAB Cc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1Cl 72288993 QHKUTTXIRPIFRL-IBGZPJMESA-N 360.885 4.699 0 40 FJAB CN(C(=O)c1cnc(-c2ccsc2)s1)[C@@H]1CCc2ccccc2C1 95959724 NOKGZQHZFPEQKD-MRXNPFEDSA-N 354.500 4.501 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl 96586411 BXHXAEJPBYCFFP-ZDUSSCGKSA-N 359.853 4.633 0 40 FJAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1Cc1ccco1 102723940 SNXKSICTXSWUTI-UHFFFAOYSA-N 371.849 4.819 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219366480 AAYQOQKZYLURST-OALUTQOASA-N 367.489 4.879 0 40 FJAB CCc1ccc(CC)c(CNC(=O)COc2ccc(Cl)cc2Cl)c1 223413739 YDOYNDUSJACTPZ-UHFFFAOYSA-N 366.288 4.813 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 223590093 SEBINXQVLZYFHN-UHFFFAOYSA-N 372.468 4.528 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224121324 GIDYPOXQEHSVFZ-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB CCCSc1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 224480529 IKOXAVWLXBCNHD-VIFPVBQESA-N 373.956 4.813 0 40 FJAB O=C(Cc1cccc(Cl)c1)NCCSCc1ccccc1Cl 224820068 MNGXFLDKSAGTPU-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB CCCSc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 224982638 XMOJFBKTJOIMNL-UHFFFAOYSA-N 369.515 4.888 0 40 FJAB COc1cccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)c1 225359159 DPLUMYTXWUIYJR-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB COc1cc(C)c(C(=O)NCCSCc2ccccc2)cc1C(C)C 225656629 CMMIEUARQLOGQW-UHFFFAOYSA-N 357.519 4.790 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)C1 252207652 VLLIYTVYPXHALX-DLBZAZTESA-N 354.469 4.549 0 40 FJAB COc1ccc(NC(=O)c2cc3c4ccccc4n(C)c3cc2O)c(C)c1 255186993 AMVKCTPOEKCVHQ-UHFFFAOYSA-N 360.413 4.606 0 40 FJAB CC(C)C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)c1cccs1 663771192 ICNYZECDEWMAMN-FGTMMUONSA-N 364.555 4.826 0 40 FJAB FC(F)(F)Oc1cccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 1191692111 VTEHPXUFCFQOAZ-FQEVSTJZSA-N 372.390 4.992 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)CCC(F)(F)F)CN1c1cccc(F)c1 2037988435 ICTDYWUCUMDNIY-GOSISDBHSA-N 372.406 4.518 0 40 FJAB CCc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1327024 KDRHQRFHEGPIBR-UHFFFAOYSA-N 364.518 4.702 0 40 FJAB Cc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NC3CCCC3)cc2c1 1330239 JZEAMEBZUUXAIR-UHFFFAOYSA-N 372.472 4.814 0 40 FJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)c1cccc(Cl)c1 1370451 FUBOBDOVQPLINL-NHCUHLMSSA-N 368.908 4.656 0 40 FJAB CC1(C)CN(c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)C1=O 1387649 RDDBJIWEBPSOJA-UHFFFAOYSA-N 370.758 4.919 0 40 FJAB C[C@@H]1CCc2sc3nc(Cl)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2372526 CMNQGQZXMIPYKM-SECBINFHSA-N 365.285 4.879 0 40 FJAB O=C(NCc1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 2654341 QOONWLOYQHTVJI-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C1CCCCC1 4305544 NHHBUFIBIRHIKR-IBGZPJMESA-N 354.519 4.548 0 40 FJAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)CCCc2ccccc2)cc1 4689743 RIKKOULEKCWUMA-HXUWFJFHSA-N 367.489 4.639 0 40 FJAB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccc(O)cc1 4862872 JMQVGEOYZJSMMC-NTEUORMPSA-N 374.827 4.915 0 40 FJAB CCC(=O)Nc1c(-c2ccccc2Cl)c(=O)c2ccccc2n1CC 5246608 QMYFTMIWZUHBMD-UHFFFAOYSA-N 354.837 4.690 0 40 FJAB CC(C)COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6326996 FDMZFHUUCLABQS-QFAYSNGYSA-N 360.523 4.811 0 40 FJAB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 6470673 SUXHOEHSDBUIPY-LDADJPATSA-N 353.443 4.630 0 40 FJAB O=C(COc1cccc2ccccc12)NCc1cccc(C(F)(F)F)c1 6879756 XYNMNLZDYYWVQE-UHFFFAOYSA-N 359.347 4.554 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 7080197 VHCRIGBODAEXHH-ZDUSSCGKSA-N 370.474 4.836 0 40 FJAB O=c1c2c3c(sc2ncn1Cc1ccc(-c2ccccc2)cc1)CCC3 7385105 ZOCRMSAVBYHCFJ-UHFFFAOYSA-N 358.466 4.662 0 40 FJAB COc1cc2c(cc1NC(=O)[C@H](C)N1CCC(C)CC1)oc1ccccc12 7389295 AMGVDYNTVJAHGE-HNNXBMFYSA-N 366.461 4.654 0 40 FJAB COc1cccc(/C=C(\SCC(=O)O)c2nc3ccccc3s2)c1 7911855 NVICMEJMTOBGBP-YBEGLDIGSA-N 357.456 4.621 0 40 FJAB CCN(CC)c1ccc2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8717380 UCQKIGDEXNPYEK-UHFFFAOYSA-N 355.526 4.860 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1ccccc1Cc1ccccc1 8753986 BPMAYLKLBNYUQE-UHFFFAOYSA-N 374.465 4.924 0 40 FJAB CSc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 9613746 MEHMGJHPTWOTHK-OAHLLOKOSA-N 353.491 4.960 0 40 FJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc1 10156890 LELLPOKGCDOZRB-KRWDZBQOSA-N 373.456 4.758 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3F)c(=O)oc2c1 12770218 LPZYHNQGNZJQOT-UHFFFAOYSA-N 373.811 4.774 0 40 FJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1cccnc1 12771519 JFJVJAVFQOEMBB-OAQYLSRUSA-N 370.518 4.655 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSc1ccccc1 13689159 PUWGTLMPIKPXDF-INIZCTEOSA-N 351.471 4.516 0 40 FJAB CC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 13811151 DIIHXNPNCDWTGX-AEFFLSMTSA-N 357.251 4.729 0 40 FJAB CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(C)cc2)c1=S 14231818 IELBRMJFQXWEQP-UHFFFAOYSA-N 358.536 4.560 0 40 FJAB C[C@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 15492198 IOTUAXQRAOVORB-NSHDSACASA-N 371.836 4.757 0 40 FJAB Cc1ccc(C)c([C@H](NC(=O)c2ccccc2Cl)c2cccnc2)c1 15839840 ZEYCIIWJPKIYMZ-HXUWFJFHSA-N 350.849 4.871 0 40 FJAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2cnc(C(C)C)nc2)cc1 19454162 VXFLEUOBDVRCOX-LRSLUSHPSA-N 365.521 4.671 0 40 FJAB Cc1nc(C)c(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)s1 19560447 LHMGKTIGSZDBHZ-HXUWFJFHSA-N 368.527 4.538 0 40 FJAB CCCn1nc(C)c(-c2cncn2C[C@@H](C)Oc2ccccc2Cl)c1C 19654538 IHAYEPOSQPLDQS-CQSZACIVSA-N 372.900 4.894 0 40 FJAB Cc1cccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 20492558 SVGILMYUKSOMNU-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB COc1ccc(-c2nn3c(-c4cccs4)nnc3c3ccccc23)cc1 20744866 PCYUEZLZIKNQJY-UHFFFAOYSA-N 358.426 4.682 0 40 FJAB CC[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 22619739 VPRVWFIOXRTXLG-NQIIRXRSSA-N 370.924 4.787 0 40 FJAB C[C@]1(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1(Cl)Cl 24470628 AXUXMCQZTIOBBC-CYBMUJFWSA-N 352.183 4.569 0 40 FJAB CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 25062803 BKOVOGJSOKCYDZ-UHFFFAOYSA-N 372.774 4.808 0 40 FJAB COc1ccc(C2=N[C@@H](c3ccccc3OC)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504090 SWLHDTSFXKGONJ-GEKCJSMOSA-N 370.452 4.631 0 40 FJAB CCc1ccc(CN(C(=O)COc2cccc(C)c2)c2ccccn2)cc1 28288254 OOAUKLKKZTUXNL-UHFFFAOYSA-N 360.457 4.565 0 40 FJAB CC1(C)CC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC(C)(C)N1 29787704 UCJPIXXVSRZCAF-UHFFFAOYSA-N 360.498 4.593 0 40 FJAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39748726 OEKPLSAPIMTESG-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39754677 XMFDOFXAXRQBHC-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 40141277 HJMHDMRIWJIJLN-DYESRHJHSA-N 362.498 4.609 0 40 FJAB CC(C)Oc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49549131 RNFUYJOOLUZRAT-IBGZPJMESA-N 361.445 4.842 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)c3ccc(F)cc3)c12 55750775 VKSWMMOHNKXTMG-UHFFFAOYSA-N 367.405 4.675 0 40 FJAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1Cl 57463306 HGJMMXNGQBDRAV-KZULUSFZSA-N 363.288 4.664 0 40 FJAB CC(C)N(C)Cc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1 58820400 JSCQPVGBIBATSH-UHFFFAOYSA-N 370.924 4.528 0 40 FJAB CCC(=O)N1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 72353848 QMRPABYITLJCCM-SFHVURJKSA-N 356.897 4.750 0 40 FJAB O=C(NCc1cc(Cl)ccn1)Nc1cccc(COC2CCCCC2)c1 92734606 TXEZDPGUANRFSJ-UHFFFAOYSA-N 373.884 4.906 0 40 FJAB Cc1ccc(-c2nc(CC(=O)O[C@H](C)c3nc4ccccc4o3)cs2)o1 95462437 ADAGKHJNQBOUCG-GFCCVEGCSA-N 368.414 4.700 0 40 FJAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 106708636 SOVBUUOFBZWNPW-SXGWCWSVSA-N 359.834 4.591 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)O)CC[C@@H]32)C1 123183751 RDRFJIOUMNDZPW-WKDAKXDRSA-N 362.554 4.958 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC(C)C)cc1)CC(C)(C)O2 218985200 DLLRWWRROXATLN-LJQANCHMSA-N 369.461 4.515 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 223417855 HPUJENLCNZFOIL-UHFFFAOYSA-N 370.301 4.671 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(C)c1 223546259 AVZKTUYLRDAFNF-IEBWSBKVSA-N 355.478 4.655 0 40 FJAB CCN(CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 224992846 QAKDJQICNRSLDL-UHFFFAOYSA-N 374.912 4.530 0 40 FJAB COc1ccccc1O[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225110056 XAZFTVVTSLRXGQ-NRFANRHFSA-N 364.397 4.562 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226355961 HCCNZIPWRIZNMG-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB COc1ccc(CN2CCC[C@H](c3ncc(C)s3)C2)c2ccccc12 2037845371 BELPWNSCQJFWKF-KRWDZBQOSA-N 352.503 4.993 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2NCc2ccccc2)cc1 640513 OPAHQQYJQITITF-JWGURIENSA-N 367.452 4.529 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4F)sc3nc2c1 1342841 LVRHHGDSEYYMPA-UHFFFAOYSA-N 351.406 4.732 0 40 FJAB COCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3 2361367 LSVSMTSYQXLPKO-UHFFFAOYSA-N 371.531 4.531 0 40 FJAB Cc1scc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)c1-c1ccccc1 2760403 UNQMGYVDVKDKSH-CQSZACIVSA-N 357.504 4.824 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl 3217252 ZOIJFKARCIRBCC-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB Fc1ccc(-n2nc(SCCOc3ccccc3)sc2=S)cc1 3338637 CUVMPZOTIKWXIL-UHFFFAOYSA-N 364.492 4.973 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)c3c(F)cccc3F)c2cc1C(C)C 3512645 PFSWEZDDULEHHW-UHFFFAOYSA-N 372.367 4.860 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2c(C)nc3ccccc32)CCCC1 3648932 IPRMBCGSQNTBJH-SFHVURJKSA-N 373.500 4.548 0 40 FJAB CSc1cccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)c1 4585602 FNGBWAPKXKKIOU-UHFFFAOYSA-N 365.458 4.590 0 40 FJAB O=S(=O)(Nc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 5392782 VCDBZCVUORXPTA-UHFFFAOYSA-N 351.349 4.659 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(N2CCCC2=O)c1 5440513 PBRXZTVGGFFCPH-UHFFFAOYSA-N 370.452 4.662 0 40 FJAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 6590544 URWQXOPTWCMRQJ-OAHLLOKOSA-N 354.456 4.507 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 7929385 PWHRDGMTUJBXRR-OAHLLOKOSA-N 371.864 4.730 0 40 FJAB CCc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 12559438 UEJWTUCZZSZNIN-UHFFFAOYSA-N 361.470 4.806 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3ccccc3)nc21 12619038 KMOSETROYDVFSD-UHFFFAOYSA-N 360.392 4.510 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(OCc2cscn2)cc1 12819081 LJOHFEVELODVMA-OAHLLOKOSA-N 352.459 4.522 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccsc3)no2)c(Cl)c1 12939659 JTXGHMOENQFRMS-UHFFFAOYSA-N 361.854 4.640 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCCC1 13708438 VTTBEYLAJKRAQH-INIZCTEOSA-N 357.519 4.789 0 40 FJAB O=C1C[C@H](c2cccs2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082153 PRKBAVPDRQODDQ-LLVKDONJSA-N 373.430 4.788 0 40 FJAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 16695136 CWGGIPDLAFAGER-INIZCTEOSA-N 355.441 4.572 0 40 FJAB Cc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 19681806 JKLMGSRSCNVECZ-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB Clc1cc(Cl)c(OCCCCCN2CCOCC2)c(Cl)c1 22385616 AJVGPPRFJPIDHP-UHFFFAOYSA-N 352.689 4.528 0 40 FJAB COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1 23053494 YUUQDZICDQPBRW-PTNGSMBKSA-N 371.849 4.536 0 40 FJAB CC(=O)c1c(C)cc(C)c(CSCC(=O)N2CCc3ccccc32)c1C 23415869 ITYIQKPSYPTDNI-UHFFFAOYSA-N 367.514 4.637 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)C1 30753995 DWLPAZDLNKXQBO-QGZVFWFLSA-N 370.924 4.844 0 40 FJAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1csc(-c2ccccc2)n1 32740884 CKLONQKHUKKQOQ-UHFFFAOYSA-N 373.817 4.549 0 40 FJAB CC(C)c1ccc2nc3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 35311087 LPTIEUGARZCNAT-UHFFFAOYSA-N 368.487 4.864 0 40 FJAB COc1cc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)ccc1O 35616123 WYJKAKYMJPLDAI-UHFFFAOYSA-N 366.808 4.508 0 40 FJAB CN(C)c1ccc(NC(=O)CCCc2ccccc2)c(C(F)(F)F)c1 40133663 PALDRLPUHJVGLM-UHFFFAOYSA-N 350.384 4.733 0 40 FJAB Cc1ccccc1OCCN(C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 58290476 DMTDVGVIAURTPW-HNNXBMFYSA-N 371.868 4.770 0 40 FJAB O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccccc1C(F)(F)F 60522911 QAAYOOKXCNMCAC-KRWDZBQOSA-N 357.331 4.552 0 40 FJAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 72403347 QEKRISKDBGMGQW-CQSZACIVSA-N 361.323 4.667 0 40 FJAB CSc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 106704272 OPOSMXDDQSXLFS-BOPFTXTBSA-N 355.484 4.953 0 40 FJAB Cc1cc(C)c(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 224939013 IRNWJHLQCBEOOK-UHFFFAOYSA-N 358.290 4.744 0 40 FJAB O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1cccc2ccccc12 225064141 POACWVQHHVPUIO-GOSISDBHSA-N 371.230 4.677 0 40 FJAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260774966 OMDLFLVNNSVMJS-MAODMQOUSA-N 374.513 4.770 0 40 FJAB CC(C)N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2F)C1=O 409062508 VVZZKEQWCLUNGA-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB c1ccc2c(OCCCc3noc(CC[C@H]4CCCCO4)n3)cccc2c1 547106326 XBQROPPNDNLGQO-GOSISDBHSA-N 366.461 4.736 0 40 FJAB C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 584320509 XPRUSEDTPPQDGH-OAHLLOKOSA-N 360.457 4.630 0 40 FJAB CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(OC(F)(F)F)cc1 1620876858 LJUYLAUESVHCEW-SJKOYZFVSA-N 357.347 4.590 0 40 FJAB O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1 780593 KXEFXSZSQWFQPU-UHFFFAOYSA-N 374.400 4.778 0 40 FJAB CCOc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)[C@@H](C)C2=O 940945 XTTBOBICMQPKIB-JEOXALJRSA-N 374.820 4.558 0 40 FJAB biogenic O=C(Nc1ccc(C2CCCCC2)cc1)C(=S)NCc1ccccc1 1043239 IJLWEIZBBBPTFL-UHFFFAOYSA-N 352.503 4.790 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Oc1cccc2cccnc12 1306391 IUXADHBDLKQHLG-UHFFFAOYSA-N 363.804 4.602 0 40 FJAB Cc1cccc(-c2cc3nc4c(c(N5C[C@@H](C)C[C@H](C)C5)n3n2)CCC4)c1 1340971 QNXSKFGTXRPOHF-IRXDYDNUSA-N 360.505 4.676 0 40 FJAB Brc1ccc(OCCSc2ncnc3sccc23)cc1 2655065 JSICULCQHGCQFJ-UHFFFAOYSA-N 367.293 4.625 0 40 FJAB O=C(CSc1cc(Cl)ccc1Cl)NCCc1ccc(F)cc1 2658081 UVVPBDBHZBTEBV-UHFFFAOYSA-N 358.265 4.584 0 40 FJAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(Cl)cc1 2720936 RULNBUDNSOCCJS-UHFFFAOYSA-N 355.850 4.632 0 40 FJAB COc1ccc([C@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc23)cc1 3330271 JDCTYGZEEZYDRD-FQEVSTJZSA-N 362.473 4.615 0 40 FJAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(Cl)cc1 3892407 UHYOJLQGHYQYCL-UHFFFAOYSA-N 355.850 4.525 0 40 FJAB CCCSc1nnc(NC(=O)c2oc3c(C)c(C)ccc3c2C)s1 4671412 KHVICBZYTNFPFH-UHFFFAOYSA-N 361.492 4.964 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1)c1cccc(Cl)c1 4887811 WGKOWAWOMPOYAV-CTXDPNEZSA-N 360.929 4.788 0 40 FJAB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccco3)sc2cc1C 5152709 SNESVJPQTIJHDR-UHFFFAOYSA-N 363.442 4.748 0 40 FJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 5186810 ACVCKOAEWFQOOF-WIYYLYMNSA-N 362.454 4.999 0 40 FJAB COCCn1cc(NC(=O)Nc2cc(Cl)ccc2OC)c2ccccc21 5266550 LGVUIFCMDTVUSY-UHFFFAOYSA-N 373.840 4.594 0 40 FJAB COc1ccccc1-n1c(/C=C/c2ccccc2C)nc2ccccc2c1=O 6237922 YQCLROGRWOHZPQ-FOCLMDBBSA-N 368.436 4.873 0 40 FJAB COc1cccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)c1 6275268 SMVQYHCYPVOOLH-UHFFFAOYSA-N 360.438 4.785 0 40 FJAB CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 6566948 MTBIYPDJDUSNFJ-UHFFFAOYSA-N 354.519 4.934 0 40 FJAB COc1ccc(OC)c(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 6608152 JRLPMBKUSAQHJB-UHFFFAOYSA-N 374.868 4.600 0 40 FJAB CC(C)[C@@H](C(=O)Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1 6830940 HLQUMPNFGQWRDV-HXUWFJFHSA-N 372.896 4.555 0 40 FJAB O=C(C[C@H]1C=CCC1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 6935637 UZAJWICFUWHUQU-NYHFZMIOSA-N 368.404 4.833 0 40 FJAB COc1ccc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 7294582 QHDJIOVVRYNEKF-UHFFFAOYSA-N 374.462 4.689 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 8036443 CYCZCTHCOPOPNI-QGZVFWFLSA-N 360.841 4.726 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 8316543 YPWYMNKUMISFGB-QHCPKHFHSA-N 354.453 4.811 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)on2)cc1 8612379 LRSIZDQOQKDAGE-MRXNPFEDSA-N 350.418 4.673 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)on2)cc1 8612380 LRSIZDQOQKDAGE-INIZCTEOSA-N 350.418 4.673 0 40 FJAB O=C(Nc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 9063191 HLRSARBLBRFWML-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB CC(C)[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(F)cc1 10983334 LQDFCZPGERCEML-SFHVURJKSA-N 353.409 4.710 0 40 FJAB CCOc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2CC)cc1OC 12992969 ZYXTZDCOFRATAG-UGAXZCSASA-N 371.502 4.705 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2csc(C)n2)s1 14201000 VSWLYGBDVWUVRK-KRWDZBQOSA-N 372.515 4.654 0 40 FJAB Cc1ccc(C)c([C@H](C)NCC(=O)Nc2ccccc2C(F)(F)F)c1 14250044 NXQYFKLRLXZYEK-AWEZNQCLSA-N 350.384 4.612 0 40 FJAB CCCc1nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2s1 14291704 LRHRZTQKJBMGCE-UHFFFAOYSA-N 356.447 4.518 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1Oc1ccccc1 14386321 WVPQCKJREVUPRT-UHFFFAOYSA-N 361.397 4.893 0 40 FJAB COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc(Cl)c1OC(C)C 14598004 CUGQJGGMJAUORI-WMLDXEAASA-N 365.901 4.931 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccccc2)cc1 14609534 IEMLMOOCRCOSMG-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(F)cc1 20107733 KGXIVIVZEMMDNO-NSHDSACASA-N 355.837 4.729 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(C)cc1 20454946 LDZUBAGSICHMLA-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)CCc1ccccc1 21894809 INGYPPUDEBXZKA-OAHLLOKOSA-N 367.880 4.585 0 40 FJAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 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368.458 4.701 0 40 FJAB O=C(C[C@@H]1OCCc2ccccc21)Nc1cc(-c2ccco2)ccc1F 80719029 JUMUOJBSNREYET-FQEVSTJZSA-N 351.377 4.728 0 40 FJAB O=C(c1[nH]c2ccccc2c1Cl)N1CCC(Nc2ccc(F)cc2)CC1 84587534 QGBMPJKHHLFBCL-UHFFFAOYSA-N 371.843 4.677 0 40 FJAB CC/C=C(\C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 96102422 GCDNWJVHOHNDIO-VCHYOVAHSA-N 359.473 4.571 0 40 FJAB COC(=O)c1ccc(/C=C(\Cl)c2nc3ccccc3n2C(F)F)cc1 97096860 WRVQTDSTQYMJFB-RAXLEYEMSA-N 362.763 4.955 0 40 FJAB COc1ccc(Br)c([C@H]2CCCN2C(=O)OC(C)(C)C)c1 199829626 LOPMVFDLNSTKCX-CQSZACIVSA-N 356.260 4.530 0 40 FJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)cc2C)c1 205611624 GGJXFQIOEOQFCP-STZFKDTASA-N 374.440 4.614 0 40 FJAB CCOc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219452837 KDNGJMJBSNHUQJ-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(C)c2C)cc1 222820163 JEZRQGCJSJVVPV-FQEVSTJZSA-N 355.478 4.594 0 40 FJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223369822 DTFMBMRNLRRNLZ-QZTJIDSGSA-N 365.527 4.624 0 40 FJAB 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4.508 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Cl 13708368 KGHOEMANMISPHF-CYBMUJFWSA-N 355.821 4.908 0 40 FJAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccccc1Cl 14091664 UUQKMHVMTZUXJJ-UHFFFAOYSA-N 373.909 4.843 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 14258483 PBAMCSGQFISMJX-UHFFFAOYSA-N 358.869 4.900 0 40 FJAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CCCCC[C@@H]12 17175982 PLKOGXQBDGYGAR-WTTBSCSTSA-N 360.108 4.844 0 40 FJAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@H](C)O3)nc1 19215514 HROFPFRIHGCVTD-KKSFZXQISA-N 364.514 4.849 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N(Cc1cccs1)C1CC1 23151539 MSBAFIMFTVHFTD-UHFFFAOYSA-N 370.449 4.666 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 27988995 SNYUXPGSJPYGQU-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB CCc1c(-c2ccc(Br)cc2)nc2sc(C(C)C)nn12 28539986 YFYOZNXGAIHCTB-UHFFFAOYSA-N 350.285 4.906 0 40 FJAB Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)c(C)n1Cc1cccs1 32737945 XNRYVQFPVGYXQB-OAHLLOKOSA-N 350.487 4.806 0 40 FJAB 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Cc1cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c(C)n1C 3533130 LVYNQXCTEWWNAO-UHFFFAOYSA-N 361.850 4.550 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 3648896 ZXYFJRCHGYTAAR-QZTJIDSGSA-N 374.484 4.662 0 40 FJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2c(s1)CCCC2 4472802 RACSNBNSDCUHOB-UHFFFAOYSA-N 364.898 4.781 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(C)C)cc2)N3)C1 4556419 CWQPYXVLBNMCBP-GOSISDBHSA-N 355.507 4.678 0 40 FJAB c1ccc(CN2CC[C@@H](NCc3cccs3)[C@H](c3ccccc3)C2)cc1 4981604 UXYJZCLJPYUZCM-XZOQPEGZSA-N 362.542 4.896 0 40 FJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1cc3cc(Cl)ccc3oc1=O)C2 5047867 CBFWQRKCLVOYKR-RRBXVBTKSA-N 360.837 4.818 0 40 FJAB CCOP(=O)(OCC)c1cc2c([nH]c1=S)[C@H]1C[C@@H]2[C@H]2CCC[C@H]12 5980168 YVYSETWCPIFJKA-RVMXOQNASA-N 353.424 4.636 0 40 FJAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1c(F)cccc1F 6839742 NZCGURRLZLPNCK-UHFFFAOYSA-N 362.426 4.819 0 40 FJAB Cc1ccc2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2n1 6865780 RQFRKXJOPBXIJE-UHFFFAOYSA-N 360.335 4.580 0 40 FJAB Cc1ccc(NCC(=O)Nc2ccc(Br)cc2F)c(Cl)c1 7972378 BURDVOKMDKCAQP-UHFFFAOYSA-N 371.637 4.601 0 40 FJAB COc1ccc2oc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c(C)c2c1 7987355 JSSZMUBUBUKCCK-UHFFFAOYSA-N 365.216 4.891 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8428795 PTOPFQINZCKLHY-AWEZNQCLSA-N 355.459 4.847 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 8673940 XMDGNWAQHXTUNR-UHFFFAOYSA-N 364.401 4.551 0 40 FJAB O=C(COc1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1ccco1 9051457 HHBWEBBWCLGALB-QHCPKHFHSA-N 357.409 4.717 0 40 FJAB Cc1c(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)oc2ccccc12 11913912 WPOMYHMZOXJJAH-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB O=C1C[C@H](c2cccc(OCc3ccccc3F)c2)c2sccc2N1 12375568 JEAYEZNQROLPFF-MRXNPFEDSA-N 353.418 4.940 0 40 FJAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12999625 NLCBSRNLQSNJSS-CQSZACIVSA-N 356.878 4.970 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C 13842805 RSBWDMAFKKJLLQ-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB COc1c(Cl)cc(Cl)cc1-c1nc2ccc(Cl)cc2c(=O)o1 13941661 ZACCIIGCWAZGNX-UHFFFAOYSA-N 356.592 4.824 0 40 FJAB CCOc1ccc(/C=C/C(=O)Nc2cc(OCC)ccc2OCC)cc1 15596104 FOXNDBAXIQJWEU-NTEUORMPSA-N 355.434 4.535 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 16032298 AMCGQVWPCLQXQL-UHFFFAOYSA-N 355.365 4.649 0 40 FJAB C[C@H]1CCCC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1cccnc1 17311197 NCDNQCQLJMZYPG-PGRDOPGGSA-N 360.505 4.662 0 40 FJAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1cccc(Cl)c1 17316106 QFHPMVCFXFVJDD-UHFFFAOYSA-N 365.824 4.611 0 40 FJAB CC(C)(C(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc(F)cc1 19718400 HKCTUAJLFUXSIZ-UHFFFAOYSA-N 354.469 4.860 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20481278 VBYMMIUNBAHRQX-HNNXBMFYSA-N 372.896 4.833 0 40 FJAB CC(C)(C)C1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 21704297 XYWIVFDIOHYDGP-NKELODKYSA-N 371.521 4.974 0 40 FJAB COc1ccc(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)c(OC)c1 24832162 BRNNGKATOWRNFD-JXMROGBWSA-N 368.820 4.557 0 40 FJAB O=C(/C=C/c1cnc2ccccc2n1)N1CCC(CCc2ccccc2)CC1 25044798 VNINLAWXIOPXEQ-OUKQBFOZSA-N 371.484 4.514 0 40 FJAB Cc1c(C(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)oc2ccccc12 28250924 YEMYAAPJMXUHPN-SFHVURJKSA-N 367.420 4.702 0 40 FJAB Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 31038061 KKTLBYDIKJGYMH-OAQYLSRUSA-N 355.441 4.585 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 32777520 FSAGXRZMMTZQEO-LBPRGKRZSA-N 367.276 4.634 0 40 FJAB Cc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccccc3)s1)C=CO2 33321263 SRUAQZJZFRPILE-UHFFFAOYSA-N 374.465 4.971 0 40 FJAB C[C@@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)[C@@H]1C 40387704 UMHHCJGRDWHUNG-JXXFODFXSA-N 372.472 4.708 0 40 FJAB Cc1nc(C)c([C@@H](C)NC(=O)N(C)Cc2ccc3ccccc3c2)s1 56487170 GFUJLLHGJFGHEQ-CQSZACIVSA-N 353.491 4.816 0 40 FJAB CC[C@@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCCO2 64986944 GAVKCGUXLWZKIW-HXUWFJFHSA-N 361.441 4.882 0 40 FJAB Cc1ccc(Oc2ccccc2)c(NC(=O)CSc2ccncc2)c1 75108750 YBUQHTQQXYCBLA-UHFFFAOYSA-N 350.443 4.913 0 40 FJAB O=C(c1ccc(CN2CCSCC2)cc1)c1cc(Cl)ccc1Cl 85651296 DBJVUKOOBVIUHF-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 103067495 VYZOCEONWSXNJT-GKVPXEHWSA-N 352.305 4.577 0 40 FJAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1C 106706740 RDTNSWLAWQZEFS-WQRHYEAKSA-N 354.475 4.670 0 40 FJAB C[C@@H]1CN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@@H](C)O1 216840051 SPFVSBDBQFOZNE-ZIAGYGMSSA-N 356.853 4.757 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(C(C)C)cc1 219364943 ZNQWGZHWHQKQSX-QFIPXVFZSA-N 369.505 4.725 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(C)c(C)c1 225558835 VTSKZAIPGJUZLH-HXUWFJFHSA-N 367.489 4.663 0 40 FJAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1Cl 225568475 NDZYLGJBGRNYNC-UHFFFAOYSA-N 373.880 4.734 0 40 FJAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833260 OXWLQYLTUNWNDD-MRXNPFEDSA-N 363.461 4.641 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)s2)cc1 225869215 ARVZOBLFHOJHDQ-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)S1 260769248 KTRZODFBJTXRRP-NIKGAXFTSA-N 352.507 4.588 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccn(C(C)(C)C)c3)N21 260778003 QXJMUZCGPKYQTO-NJAFHUGGSA-N 354.523 4.618 0 40 FJAB Fc1cc(Br)ccc1NC(=S)NCCCc1ccccc1 408585323 DLIZEEBHZPJMEF-UHFFFAOYSA-N 367.287 4.507 0 40 FJAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Cl)cc2)c1 408847968 WFYMIOAQONEQEK-XSFVSMFZSA-N 373.843 4.878 0 40 FJAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001560 JBPRFJNHOITOJC-KRWDZBQOSA-N 374.440 4.607 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)cnc2c(-c3ccc(Cl)cc3)cnn12 409226838 VXVUKPVQMVVSIR-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB O=C(c1cnc(O)c2ccccc12)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 530334638 KQRZYKJQBFBWKL-STZQEDGTSA-N 372.468 4.739 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(F)cc2)CN1c1cccc(F)c1 1615124541 XWUAXOJWBCRFOI-QFIPXVFZSA-N 370.443 4.629 0 40 FJAB Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl 756734 QUIQRPRTUXCJEH-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB Cc1cccc(NCN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)c1 2120056 BPGOBSRTERHGKV-AWTFBBCTSA-N 350.443 4.657 0 40 FJAB Cc1ccc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)cc1 2787504 XIBGRMPCBVHDJQ-UHFFFAOYSA-N 352.182 4.713 0 40 FJAB O=C(NCc1ccccc1Cl)c1cc(-c2cccnc2)nc2ccccc12 3044766 GEHBABZDVJHBGD-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1 3217400 RIHFTVXEGWEOQF-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccccc1 3262854 LCFMDBSRMBCROJ-UHFFFAOYSA-N 360.482 4.996 0 40 FJAB O=C(Nc1cc(Cl)ccc1O)c1ccc(NC(=O)c2cccs2)cc1 4520052 ZSSHKWNWLOYUHR-UHFFFAOYSA-N 372.833 4.612 0 40 FJAB COc1cccc(CNCc2ccco2)c1OCc1ccc(Cl)cc1 4998561 VOYVGARTWJMXAS-UHFFFAOYSA-N 357.837 4.810 0 40 FJAB Cc1nc(SCC(=O)c2c(C)[nH]c3ccccc23)n(CC(C)C)c1C 5178195 BNTUCSRZRRZVOB-UHFFFAOYSA-N 355.507 4.921 0 40 FJAB Cc1ccc(-[n+]2c3c(cc4c2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 5546378 HNZQGVQHTPCFDM-UHFFFAOYSA-N 362.493 4.582 0 40 FJAB O=C(CCCOc1ccc(Br)cc1)Nc1ccccc1Cl 5558863 XQIZHMJSUOYMDX-UHFFFAOYSA-N 368.658 4.900 0 40 FJAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)N1CCCCCC1 5569809 WVRFXZBPQLYPCC-UHFFFAOYSA-N 358.486 4.502 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 6331785 LGYVKYROLSAZLR-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1 6810669 VHLLFUFHDFBYEV-UHFFFAOYSA-N 369.848 4.849 0 40 FJAB Cc1cc(Br)ccc1NC(=O)CC1(CC(=O)O)CCCCC1 6847358 DIHOKHRMGHMZMS-UHFFFAOYSA-N 368.271 4.511 0 40 FJAB CCN1C(=O)/C(=C\c2cccc(Cl)c2)S/C1=N/c1ccc(OC)cc1 6954457 FFDQYEBXVWSNFR-HWWZFDGNSA-N 372.877 4.973 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)c(C)c1 8368916 WKTBGBSYJPMOHL-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB Fc1ccccc1-c1nnc(SCc2cccc(F)c2F)n1C1CC1 9864713 UHFOSJCBHMIMLR-UHFFFAOYSA-N 361.392 4.990 0 40 FJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)c1ccc[nH]1 10220064 QRKZYACLIYHCLV-UHFFFAOYSA-N 351.456 4.661 0 40 FJAB O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)Nc1ccccc1 10330524 VUNQTMOJYFSADF-JOCHJYFZSA-N 359.473 4.798 0 40 FJAB Cc1cc(=O)oc2cc(OCc3cccc4cccnc34)c(Cl)cc12 11290960 ICZSKHKXEWLSAB-UHFFFAOYSA-N 351.789 4.882 0 40 FJAB CC(C)C(=O)/N=c1\scc(-c2ccccc2)n1-c1ccccc1Cl 12570766 XCAXYYDOKXTSPT-VZCXRCSSSA-N 356.878 4.943 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(C(F)(F)F)cc1 12764717 VXCFVAAXDJSTHP-UHFFFAOYSA-N 355.385 4.857 0 40 FJAB Cc1ccccc1CN(C)Cn1nc(Nc2cccc(F)c2)sc1=S 12897243 JETNIIDHIVBRLS-UHFFFAOYSA-N 374.510 4.955 0 40 FJAB CC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3F)nc2C)cc1 13683210 JZWMDHGSNMGQKT-UHFFFAOYSA-N 354.406 4.713 0 40 FJAB O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(Cl)nc(Cl)n1 14084425 BKTUBTCHNFKHML-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB Cc1ccc(-c2nonc2NC(=O)c2ccc(OCC(C)C)cc2)cc1C 27583225 AMSMFZUPMNRILT-UHFFFAOYSA-N 365.433 4.641 0 40 FJAB FC(F)(F)[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 29118817 NBSUTKVDXVVSSV-INIZCTEOSA-N 359.395 4.776 0 40 FJAB CNCCOc1ccc(/C(=C(\c2ccccc2)[C@@H](C)O)c2ccccc2)cc1 30731093 GREXPZNIZPCGIV-KRXRYSOXSA-N 373.496 4.625 0 40 FJAB world Cc1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 35078144 HTDNCMMGWZWIOL-UHFFFAOYSA-N 354.409 4.736 0 40 FJAB O=S(=O)(Cc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21 40127605 ZKJRNPSELZSKFZ-KRWDZBQOSA-N 355.286 4.986 0 40 FJAB CN(C(=O)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccccn1 40135594 GBBABZOXJDZSEA-LJQANCHMSA-N 351.837 4.988 0 40 FJAB CC1=C[C@@]2(Nc3ccc(C)c(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545379 ZJOHDZRMEVCXBU-QFIPXVFZSA-N 359.429 4.751 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H](c1cccs1)C1CCCC1 48277298 GOBJCDUHZFVUBO-SFHVURJKSA-N 358.463 4.572 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(F)c1 57315761 IWAWGMDNTFYCQC-ZRDIBKRKSA-N 366.417 4.612 0 40 FJAB CCCN(C(=O)c1ccc(C)nc1)[C@H](C)c1ccccc1Br 59120247 JFWBNNJHAGUZBW-CQSZACIVSA-N 361.283 4.766 0 40 FJAB Cc1[nH]c2ccc(CNC(=O)c3nc(-c4ccco4)sc3C)cc2c1C 65118571 RNDNOXSCHHEDOU-UHFFFAOYSA-N 365.458 4.740 0 40 FJAB Fc1ccccc1Oc1ccc(CNCc2cccc3c2OCO3)cc1F 65932717 CCEYHOQXARNIKO-UHFFFAOYSA-N 369.367 4.776 0 40 FJAB Nc1nc(CN2CCC[C@H]2c2cccs2)nc2sc3c(c12)CCCC3 97495038 SOBABHSOVQFVGS-ZDUSSCGKSA-N 370.547 4.551 0 40 FJAB COc1ccc(-c2n/c(=N/c3ccccc3)sn2-c2ccccc2)cc1 100341884 VLXHXUIVBOJLGD-DQRAZIAOSA-N 359.454 4.842 0 40 FJAB CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 101663154 OOPDHKDZSHGNLI-MRXNPFEDSA-N 354.866 4.709 0 40 FJAB COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccsc3)=NN12 106922045 FNLUEFFLEHDPQB-NQIIRXRSSA-N 362.454 4.999 0 40 FJAB CSc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 127930820 HUSUYIOMHOTPHM-UHFFFAOYSA-N 351.475 4.522 0 40 FJAB Cc1cc(O[C@H](C)C(=O)NCCSC2CCCCC2)ccc1Cl 222842520 QPXOZCQDQKIIHK-CQSZACIVSA-N 355.931 4.598 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222977848 FVMKIUWCEPCPIW-YWZLYKJASA-N 355.453 4.739 0 40 FJAB Cc1ccccc1CSCC(=O)NCCOc1ccc(C(C)(C)C)cc1 223398348 JMUWOHJYPHLPKJ-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB CC(C)c1ccc(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224989492 TXAGFBVVHRMEMA-UHFFFAOYSA-N 359.897 4.980 0 40 FJAB O=C(c1ccc(Br)cc1)N1CCS/C1=C/c1cccs1 225233326 ZHKYDDVDTLZSFC-GXDHUFHOSA-N 366.305 4.698 0 40 FJAB S=C(Nc1cccc(Br)c1)NC1(c2ccco2)CCCC1 225845832 WGJPKOOYWSHHNJ-UHFFFAOYSA-N 365.296 4.798 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2cccnc12 225890540 CLFOQVKGBKGXIY-OPAMFIHVSA-N 370.493 4.948 0 40 FJAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 226335696 OFAMYSPBEIIXLD-BQYQJAHWSA-N 364.800 4.643 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccoc2)s1 390830285 JYETZNRORQRMST-UHFFFAOYSA-N 361.850 4.643 0 40 FJAB Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)c2c(F)cccc2F)c(C)c1 676721859 NBZMNBCJHLDMNG-JXFKEZNVSA-N 355.432 4.870 0 40 FJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C1=O 1024857 OQFDXTVYNVACPP-FYXYJPLOSA-N 367.876 4.831 0 40 FJAB Cc1cc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c(C(=O)O)c1C 1618462 KHTNAMUYXJAPGK-UHFFFAOYSA-N 362.303 4.794 0 40 FJAB COc1ccc(OC)c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 3236033 NJMYHCQYNMQQRF-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB COc1cc2c(cc1OC)C1=Cc3cc(OC)c(OC)cc3[C@@H](C)N1C=C2 3589327 HXRVLYCRGOAIRA-CYBMUJFWSA-N 365.429 4.580 0 40 FJAB O=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 3903686 QRAASQPZCBBCKR-UHFFFAOYSA-N 368.502 4.877 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@@H](CCCC)[C@H](C(C)=C[C@H]1C)[C@H]2C 4023284 WJHCKHVBUITAAF-GQUPQBGVSA-N 351.531 4.936 0 40 FJAB COc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C 4126644 WIUJSEGCNCMDBE-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 4406918 BSXWDFAAVGYBTA-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)CC(C)C)cc1 4815051 OZBTWSPMJCCPTK-LEWJYISDSA-N 374.488 4.700 0 40 FJAB Clc1ccc(OCc2nnc3sc(/C=C/c4cccs4)nn23)cc1 5032348 YBXLGCKJOJAPCI-BQYQJAHWSA-N 374.878 4.650 0 40 FJAB O=C(OCc1cn2cc(Cl)ccc2n1)C1(c2ccccc2)CCCC1 5983429 YKEGOMLJTNCXAP-UHFFFAOYSA-N 354.837 4.543 0 40 FJAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 6327039 UXTPYWHBYXVNBP-UHFFFAOYSA-N 373.865 4.535 0 40 FJAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 6470588 KYXMTOPZFLSMQV-GZTJUZNOSA-N 373.861 4.975 0 40 FJAB CC(C)Cn1c(-c2ccc(COc3ccc4c(c3)CCC4)o2)n[nH]c1=S 6883850 CULDTNHLNHFZJB-UHFFFAOYSA-N 369.490 4.924 0 40 FJAB CN(Cc1ccc(Br)s1)C(=O)/C=C/c1cccc(Cl)c1 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FJAB CC(=O)c1c(C)[nH]c(C(=O)c2cc3cc(Br)ccc3o2)c1C 12973558 ALXTVMCPQIKJSU-UHFFFAOYSA-N 360.207 4.574 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(F)c2)c1C 19557973 ZVOJFOLATYYFDT-GOSISDBHSA-N 354.429 4.548 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccnc3)on2)cc1 19558083 DZDZBOVYVICGQV-NRFANRHFSA-N 363.461 4.863 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20141712 QQERLEONFOHCLK-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC)cc1 21836674 DYZRVEOUUUJPJD-HXUWFJFHSA-N 355.478 4.773 0 40 FJAB O=C1C[C@@H](C(=O)OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1 22310630 VDSAOTYHVBZPRO-HXUWFJFHSA-N 357.409 4.523 0 40 FJAB CCc1nc2ccccc2c(C)c1C(=O)Nc1cc(OC)c(OC)cc1C 25063425 SICZWQZUKXQUIY-UHFFFAOYSA-N 364.445 4.684 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Oc2ccccn2)cc1 29256187 SQSHIUWVDVNQNR-UHFFFAOYSA-N 368.820 4.853 0 40 FJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1nc2c(C)cccc2s1 29282856 KYYJDQJIHXWFKF-UHFFFAOYSA-N 355.444 4.882 0 40 FJAB COc1ccc2nc(C(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)ccc2c1 30315204 YKUYNXUDNMYEHG-ZDUSSCGKSA-N 354.837 4.730 0 40 FJAB O=c1c(Oc2cccc(Cl)c2)c(C(F)(F)F)oc2cc(O)ccc12 31773418 NUOJGQBOKSHSAQ-UHFFFAOYSA-N 356.683 4.963 0 40 FJAB Cc1cc(C)c2c(n1)oc1c(=O)n(Cc3c(Cl)cccc3Cl)cnc12 32071286 CSEHTAKLCJBNMI-UHFFFAOYSA-N 374.227 4.510 0 40 FJAB CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccccc1)CC(=O)C[C@H]2c1ccccc1 34557220 XPPIZIALVLDCOF-SFTDATJTSA-N 374.480 4.862 0 40 FJAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2C)C3)cc1 35290321 UJWHDFJSWJBSFF-FRIKZZABSA-N 362.517 4.619 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38849626 IGWUJLCEUCKWPH-INIZCTEOSA-N 360.860 4.638 0 40 FJAB COc1cccc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2Cl)c1 40034400 FGVCPRNLFVDAEE-INIZCTEOSA-N 350.245 4.979 0 40 FJAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 44933997 VMPBYCBCKDQCOV-YJBOKZPZSA-N 374.887 4.569 0 40 FJAB C[C@]1(CC(=O)Nc2ccccc2)NN=C(c2cccc3ccccc23)S1 59398919 ZPSYUJWQBALWCM-NRFANRHFSA-N 361.470 4.583 0 40 FJAB C[C@H](O)c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 64931298 ZGGBICPGEZKNJQ-INIZCTEOSA-N 355.441 4.962 0 40 FJAB CN(C)C1(CNC(=O)c2sccc2-c2ccc(F)cc2)CCCCC1 66041565 MMDMLPDLQGAACI-UHFFFAOYSA-N 360.498 4.549 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 70462928 GPFQESDZRGPXJJ-NSHDSACASA-N 353.249 4.598 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 72288762 GVLHGSSVYKWQPS-IRXDYDNUSA-N 365.477 4.570 0 40 FJAB CC(C)(C)Sc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 95467106 MLZJRFUIUQDMFS-DLBZAZTESA-N 364.555 4.838 0 40 FJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cccs1 96119739 GPYFAQIYAWQDEG-UHFFFAOYSA-N 367.455 4.703 0 40 FJAB CCOc1ccccc1CCCNC(=O)COc1ccc(C(C)(C)C)cc1 218932057 CXTAWMKAPIQMCL-UHFFFAOYSA-N 369.505 4.511 0 40 FJAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219494300 PACIMVGLJFCRKD-JKSUJKDBSA-N 355.478 4.637 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1 222795940 MEXAOGGNMOSMKQ-HXUWFJFHSA-N 353.849 4.967 0 40 FJAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223132794 HMGSVGWWTNSYDG-OAQYLSRUSA-N 351.490 4.692 0 40 FJAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(C)cc1 224121635 QLOXKIKLNXMRLD-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)c1 224288627 GXQRXSVZTRRFNQ-RBUKOAKNSA-N 365.527 4.937 0 40 FJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 224323577 MLADTKMNBBHHFB-RTBURBONSA-N 365.527 4.883 0 40 FJAB COc1cccc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)c1 225139331 ISSMCMQKXRUWFP-NRFANRHFSA-N 364.397 4.562 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1 225351931 YCAVBWROLIEXJD-HKUYNNGSSA-N 355.478 4.655 0 40 FJAB O=C(NCc1cccnc1-c1cccs1)NCc1cccc2ccccc12 225762486 ZJARTOJUJRKIBX-UHFFFAOYSA-N 373.481 4.963 0 40 FJAB C[C@@H](O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 226272778 NSQHMIQEXDXHDZ-GFCCVEGCSA-N 370.246 4.908 0 40 FJAB CC1(C)Oc2ccc(-c3ccccc3)cc2[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 257229531 FYLJKFYJKSNBQK-CDXJDZJCSA-N 352.430 4.836 0 40 FJAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260753130 BMOCAGXSICQZPB-MAODMQOUSA-N 374.513 4.770 0 40 FJAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408564070 XKWPEDWGZIMWIS-QOCHGBHMSA-N 358.413 4.564 0 40 FJAB Fc1ccc(COc2cccc(C(=S)NCc3ccccc3)c2)cc1 408577626 UBQQTYMBBOLFOW-UHFFFAOYSA-N 351.446 4.870 0 40 FJAB CCOc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 409339676 KLBLZNQNTHANPB-LFIBNONCSA-N 359.834 4.980 0 40 FJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)c(F)c1 1137483673 GJBFSKCUCYOZII-UHFFFAOYSA-N 360.841 4.575 0 40 FJAB CC(=O)Oc1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1097922 KHFISQREWFACAU-UHFFFAOYSA-N 358.608 4.824 0 40 FJAB Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC4)n3n2)cc1 1341232 KIUAGCHZWQYJHZ-UHFFFAOYSA-N 358.420 4.803 0 40 FJAB COc1cc(C(=S)N2CCCCC2)ccc1OCCCc1ccccc1 1792330 UVWUTPOMBCTFOG-UHFFFAOYSA-N 369.530 4.868 0 40 FJAB CCCCCC(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 2052159 PCTYBBRBVZHYJH-UHFFFAOYSA-N 367.946 4.724 0 40 FJAB COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1 3317194 XIQLYVKOZYDHPM-UHFFFAOYSA-N 371.487 4.574 0 40 FJAB c1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2cccs2)cc1 3487781 DJHXACZRQFJGFU-HNNXBMFYSA-N 357.504 4.657 0 40 FJAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 4167331 JVMKKICQBHUPTC-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB FC(F)(F)c1cccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)c1 4538909 LXPKZHGGXAYMGZ-VOTSOKGWSA-N 362.336 4.635 0 40 FJAB CCCCCN(CCCCC)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 4889360 OJQWSCCGISNPFM-FQEVSTJZSA-N 358.526 4.563 0 40 FJAB Cc1ccccc1OCCSc1nnc(-c2ccccc2F)n1C1CC1 5312945 QEOBPBPRQJTTPN-UHFFFAOYSA-N 369.465 4.899 0 40 FJAB CC[C@@H](C(=O)Nc1nc(-c2ccc(OC)cc2)cs1)c1ccccc1 5876049 QQBMOEFQKGISDG-QGZVFWFLSA-N 352.459 4.951 0 40 FJAB C[C@@H]1CCc2nc(NC(=O)CCCc3c[nH]c4ccccc34)sc2C1 6607448 LIXQZXMMWVIMCY-CYBMUJFWSA-N 353.491 4.711 0 40 FJAB Cc1cccnc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 6787275 LUHDAYISOKLIOX-UHFFFAOYSA-N 371.849 4.610 0 40 FJAB O=c1c(-c2ccccc2)c(O)cc(-c2ccccc2)n1Cc1ccccc1 6864294 ZIBXMMKNQQNTRI-UHFFFAOYSA-N 353.421 4.936 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6931679 CMAYMSMJJNCEKO-SECBINFHSA-N 361.722 4.904 0 40 FJAB CCC[C@@H](C(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1 7408218 LNTCXENLAIGIEI-HXUWFJFHSA-N 352.478 4.691 0 40 FJAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(Br)cc1 7598775 YUJLUFQDCJXEKW-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB CN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccsc2)n1 7960968 NUFHHTCEPIGYLC-UHFFFAOYSA-N 354.909 4.859 0 40 FJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ncc(-c2ccc(F)cc2)o1 9321896 DJAHNIRJNQZRKN-UHFFFAOYSA-N 368.261 4.891 0 40 FJAB Cc1[nH]c2ccc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2c1C 9683271 ZEERLTNVAWTCRF-UHFFFAOYSA-N 373.456 4.946 0 40 FJAB CC(=O)c1c(C)nc(C)nc1SCc1nc(-c2cccs2)oc1C 12820022 COQISGSDOLXSED-UHFFFAOYSA-N 359.476 4.613 0 40 FJAB COc1cccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c1O 13125549 PRMOGYNWUAGZFA-UHFFFAOYSA-N 357.413 4.623 0 40 FJAB CC1(C)C2=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC12OCCO2 17354761 OTRVYDAQFLISBU-AHMAJHLOSA-N 360.538 4.689 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN3CCCc3ccccc3)o2)s1 19217706 AMAPZFAFVWSQFY-KRWDZBQOSA-N 353.491 4.876 0 40 FJAB Cc1ccccc1OCCNc1ccc(OCCOc2ccccc2)cc1 19738239 QGMIUPGWQYBXJD-UHFFFAOYSA-N 363.457 4.944 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20108354 JIBDIGVVRQINGQ-AWEZNQCLSA-N 359.491 4.694 0 40 FJAB COc1ccc(-n2nc(Nc3cccc(C)c3)c3c2C[C@@H](C)CC3=O)cc1 20796937 CKAXLXVYVLSYKP-OAHLLOKOSA-N 361.445 4.698 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)c2cccs2)c1 24925357 FXAJJWBHSDRLOW-CQSZACIVSA-N 362.454 4.592 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 27970374 AGOKHVANZJLRAJ-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)CCc1c[nH]c2ccccc12 30899287 IFLLOLOJODLMMS-UHFFFAOYSA-N 360.379 4.778 0 40 FJAB Cc1ccc(C)c(NC(=O)CSCc2csc(-c3ccco3)n2)c1 31420412 DEVZGXWMLWEGES-UHFFFAOYSA-N 358.488 4.892 0 40 FJAB C[C@@H](NC(=O)/C=C\c1ccco1)c1nc2ccccc2n1Cc1ccccc1 34794451 SQDVIQOMBJHZFW-LKBMAGLMSA-N 371.440 4.568 0 40 FJAB 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IJTIZXKPRCIVOH-JTQLQIEISA-N 372.184 4.959 0 40 FJAB O=C(N[C@H]1CCOc2ccccc21)c1ccc2noc(-c3ccccc3)c2c1 9607335 OGTIBJGWKIRBHO-IBGZPJMESA-N 370.408 4.748 0 40 FJAB COc1cc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C(C)C 11566468 UCCAGQBAHPSSTC-UHFFFAOYSA-N 355.544 4.620 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1OCC 11654381 ALXLWKSAODTVLI-UHFFFAOYSA-N 373.449 4.532 0 40 FJAB CCOc1ccc(CN(C)C(=O)c2sc(-c3cccs3)nc2C)cc1 12759355 ZIZNNIUVRSBNHT-UHFFFAOYSA-N 372.515 4.851 0 40 FJAB CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2Cl)c(C)n1 12997842 PRNOUFICEALLTF-UHFFFAOYSA-N 370.305 4.693 0 40 FJAB CC(C)COc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 15832354 JFOMBEOXMFWRMF-UHFFFAOYSA-N 366.486 4.775 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2ccccc2)n1 15989923 UTONOERTWVBIHN-UHFFFAOYSA-N 356.878 4.665 0 40 FJAB CC(C)Cn1c([C@H](CNc2ccc(F)cc2)CC(=O)O)nc2ccccc21 17113354 JAJGACUCICOUHU-HNNXBMFYSA-N 369.440 4.502 0 40 FJAB Cc1cc(NC(=O)CCCn2c(C)nc3ccccc32)c2ncccc2c1 19665167 WJLRLCPWIRCLAD-UHFFFAOYSA-N 358.445 4.620 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(NC(C)=O)c1 20450866 RVLNPUPXNQEKOZ-FQEVSTJZSA-N 362.429 4.594 0 40 FJAB Cc1cc(C)c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c(Cl)c1 23244967 FYFPVZDFQIXLDS-UHFFFAOYSA-N 352.217 4.634 0 40 FJAB CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3ccccn3)cs2)cc1 24828749 ZWFOPRWMQCLKJO-CQSZACIVSA-N 351.475 4.820 0 40 FJAB Cc1ccccc1Cn1nc(C)c(NC(=O)CSc2ccccc2)c1C 27921995 IMBVRBKMNKWYSS-UHFFFAOYSA-N 365.502 4.587 0 40 FJAB Cc1cccc(NC(=O)[C@@H](C)SCc2csc(-c3ccco3)n2)c1 31421060 DSHKRYPLZGCIDN-CYBMUJFWSA-N 358.488 4.972 0 40 FJAB O=C(c1ccccc1)c1ccc(OCc2noc(-c3cccs3)n2)cc1 31679674 XPDGCAXONZLELM-UHFFFAOYSA-N 362.410 4.608 0 40 FJAB CN(Cc1nc2ccccc2n1CCC1CCCCC1)C(=O)c1ccco1 31903389 ZEENIJRPNZQSMS-UHFFFAOYSA-N 365.477 4.872 0 40 FJAB Cn1cccc1-c1nnc(SCc2ccc(Br)cc2)s1 32615246 CVJKIRRCRIBOGQ-UHFFFAOYSA-N 366.309 4.598 0 40 FJAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1C 38835179 LJTUGGUWKCUQJC-SFHVURJKSA-N 356.897 4.808 0 40 FJAB CCC1CCC(c2ccc(C(=O)O)cc2I)CC1 39951843 YMDSJUWEVJSDLM-UHFFFAOYSA-N 358.219 4.673 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(C)cc1 44840845 LOBRZRAPVBMOCD-CRAIPNDOSA-N 373.518 4.760 0 40 FJAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 44934020 HCANGIHHYOOZER-YJBOKZPZSA-N 374.887 4.569 0 40 FJAB O=C1C[C@H]2Sc3ccccc3N=C2N1Cc1ccc(Cl)cc1Cl 59682025 LIZMQTRAFGLLTN-OAHLLOKOSA-N 363.269 4.930 0 40 FJAB O=C1N=C(Nc2cccc(Br)c2)/C(=C/c2cccnc2)S1 71289000 DHXFGEHQHLJMOD-QPEQYQDCSA-N 360.236 4.562 0 40 FJAB Cc1cc(CNc2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)no1 79173946 MEILMNVGNDVMLN-BETUJISGSA-N 361.873 4.652 0 40 FJAB CCc1ccc(-c2noc(CNc3ccc4nc(C)sc4c3)n2)cc1 83825299 CYERVRMLGIDPMV-UHFFFAOYSA-N 350.447 4.829 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84008343 OWNHVBDBQHGVFE-LSDHHAIUSA-N 365.399 4.842 0 40 FJAB Clc1ccccc1CN1CCC[C@]12CCCN(Cc1ccccc1)C2 96214648 KDUUEEJSPMAZLZ-QFIPXVFZSA-N 354.925 4.971 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccccc2-c2nc(C(C)C)no2)c1 96346510 MFIOIDFCZVRQIP-UHFFFAOYSA-N 365.433 4.901 0 40 FJAB Cc1cc(C)c(C(=O)NCc2ccccc2CN2CCCCC2)cc1C 224854144 IFSRRJATPBFJFY-UHFFFAOYSA-N 350.506 4.528 0 40 FJAB CCOC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225484738 ZAPDMBBHTQCURV-UHFFFAOYSA-N 360.457 4.652 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)s2)cc1 225567797 FORZDCUBSJMDLY-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 247946038 QYYCSTCJWNHDNP-WGMWDUQUSA-N 355.478 4.513 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1Cl 408705872 PFWGCEQNRFVQAS-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H]3CCC[C@H]3C)cccc2c1=O 729661297 GOXYCVQFJVXXJG-KUHUBIRLSA-N 361.441 4.687 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 842361 VEUKCZLMEKNJBG-UHFFFAOYSA-N 359.385 4.541 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Oc1ccc(I)cc1 1087221 LEVSLDBCJBRDMJ-UHFFFAOYSA-N 373.577 4.556 0 40 FJAB COc1ccc(C(NC(=O)/C=C/c2ccccc2)c2ccc(OC)cc2)cc1 1212158 JQYOBZQUQVIJSD-CAOOACKPSA-N 373.452 4.623 0 40 FJAB CCN(CC)CCSCCCNc1ccnc2cc(Cl)ccc12 1729587 BYDNHHBNMRLXDA-UHFFFAOYSA-N 351.947 4.765 0 40 FJAB Clc1cc(Cl)c(OCc2cn(-c3ccccc3)nn2)c(Cl)c1 2274375 GOMGCKKSMHPHPO-UHFFFAOYSA-N 354.624 4.807 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC1CCCCC1 2661057 CHZVQNWXGORVMM-UHFFFAOYSA-N 359.901 4.512 0 40 FJAB CC(C)c1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 2725248 VKEOQOKECFUFMZ-UHFFFAOYSA-N 366.339 4.619 0 40 FJAB O=S(=O)(Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 3148909 KWNGYXJHBYVRQL-UHFFFAOYSA-N 359.834 4.933 0 40 FJAB COc1ccc(CCNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 3302707 MCNBWLWKXSJNDL-UHFFFAOYSA-N 365.473 4.775 0 40 FJAB Cn1c(-c2ccccc2)c(C(=O)CSc2ncccn2)c2ccccc21 3329384 SRGMYCKQAYNBBH-UHFFFAOYSA-N 359.454 4.610 0 40 FJAB Cc1c([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)c2ccccc2n1C 4092302 DGECMFCTJZBCGV-JEOXALJRSA-N 365.502 4.527 0 40 FJAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(OC(=O)C(C)C)cc12 4340705 QCZOCZFXFQVOSZ-UHFFFAOYSA-N 356.805 4.983 0 40 FJAB biogenic Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1Cl 5942642 MFGQZLAJNQFUBU-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB Cc1ccc(Nc2nc(CSc3nnc4n3CCCCC4)cs2)cc1 6097562 DDSNLSOUTIUIBZ-UHFFFAOYSA-N 371.535 4.805 0 40 FJAB Cc1cc(F)ccc1NC(=O)COc1ccc(Cl)cc1Br 6260219 ZNNRYZGSWQGCDX-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 6611052 XEQHOMPRKGOKIF-UHFFFAOYSA-N 361.441 4.726 0 40 FJAB O=C1CCCN1c1ccc(-c2csc(COc3ccccc3)n2)cc1 8324832 ASZRKNUKDXJRQE-UHFFFAOYSA-N 350.443 4.516 0 40 FJAB COC(=O)c1sc2nc(C)nc(N[C@H](c3ccccc3)C3CC3)c2c1C 10044484 LBNSDZZJOKEVDY-MRXNPFEDSA-N 367.474 4.658 0 40 FJAB Cc1nc2ccc(C(=O)N[C@@H](c3ccncc3)c3ccccc3C)cc2s1 12148524 YGFCDCNQQDRTHC-NRFANRHFSA-N 373.481 4.828 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3c(F)cccc3Cl)c12 12985816 VDQPWHSSWYSMJP-UHFFFAOYSA-N 360.772 4.558 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 13945737 STRGRNJBFZRHLQ-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB CCCCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1 14258090 WSSFNAOOXRLXKW-UHFFFAOYSA-N 350.466 4.748 0 40 FJAB O[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(CCC(O)(c1ccccc1)c1ccccc1)C3 18102997 VRDCOVZTKCMJMY-NLJZRFBISA-N 362.513 4.890 0 40 FJAB O=C(CCc1ccsc1)Nc1cccc(NC(=O)c2cccs2)c1 21142338 GLHXSINOWBLUEY-UHFFFAOYSA-N 356.472 4.633 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCSc2ccccc21 21899814 GDQMGLQQDVAGTD-INIZCTEOSA-N 350.443 4.617 0 40 FJAB COc1ccc2nc(NC(=O)c3cc4ccc(F)cc4nc3C)sc2c1 24780836 KWVLBDWCWGYJOT-UHFFFAOYSA-N 367.405 4.553 0 40 FJAB Cc1ccc(Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)cc1 40485249 LALQWGXCZRNBPS-UHFFFAOYSA-N 365.436 4.673 0 40 FJAB CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCNC2)c(Br)c1 42770671 KRCRZTTVEPAOPW-HNNXBMFYSA-N 374.322 4.763 0 40 FJAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 59681671 LHOJUCCKHYZBER-QPJJXVBHSA-N 364.257 4.958 0 40 FJAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3Cc3ccccc3C)n2)n1 72375265 OILZHIHCIHHKQN-OAQYLSRUSA-N 373.504 4.878 0 40 FJAB O=C(Nc1cccc(Cl)c1F)N1CCSC[C@@H]1c1cccs1 95403779 XKHXXTZQFXIPCS-GFCCVEGCSA-N 356.875 4.863 0 40 FJAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 222571714 GJEQJIIQNUQIIL-UHFFFAOYSA-N 357.763 4.833 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222969233 VXGKFPVSUHXVIG-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB CC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223130722 HGQMTMGNHGOAKQ-HXUWFJFHSA-N 357.519 4.612 0 40 FJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(Cl)cc1F 223193876 PTROBWWFNWVPFB-UHFFFAOYSA-N 374.843 4.748 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 224357164 IZQJTHAJRBPFRC-UXHICEINSA-N 362.502 4.710 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)N[C@@H]1CCCc2ccccc21 224916976 XXCASOVBYBQTCN-GOSISDBHSA-N 363.885 4.906 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225344830 BMLBWVXFTBLMMV-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB Nc1ccc(Nc2ccc(Cl)cc2Cl)c(C(=O)N2CCCC2)c1 225475343 BBPKIELNUMYEDG-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB CCc1ccccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225807965 SYQFFTKTCDTLFE-UHFFFAOYSA-N 355.825 4.524 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)c2ccccc2O1 225810561 CGQOANFHXBWJCH-YLJYHZDGSA-N 367.489 4.961 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 408573389 DNMQMZGPJJBMKE-OAHLLOKOSA-N 370.518 4.643 0 40 FJAB Cc1ccccc1CSCCNC(=O)CSCc1ccccc1C 409028049 IYNVSLDSNSLDBA-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(OC)c1C 409098406 LHUQDTXPXBXPEQ-ZSOIEALJSA-N 363.335 4.524 0 40 FJAB Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)c2ccc(C(F)F)nc2)cc1 657904483 TVEHFKNABFMWTK-KGLIPLIRSA-N 356.420 4.925 0 40 FJAB O=C(N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1cnn2c1CCCC2 1140567864 TXSRJJICRQGXAB-HKUYNNGSSA-N 371.912 4.719 0 40 FJAB Cc1ccccc1CNc1ccccc1NC(=O)c1cn2c(n1)CC[C@@H](C)C2 1295756551 USZBWROZALGECI-MRXNPFEDSA-N 374.488 4.638 0 40 FJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1 666661 YSEBGDIFTINBHF-JOCHJYFZSA-N 374.415 4.826 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2OCC(=O)c2ccc(F)cc2)c1 993177 LGJVKHJQDGVNGD-UHFFFAOYSA-N 363.388 4.648 0 40 FJAB Cc1cccc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)c1 1018215 UHEWCAVMFKOLDD-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 1369811 KIDOFKNTYRTJQS-HUUCEWRRSA-N 369.431 4.622 0 40 FJAB CCCCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 1901605 LUJLOANMCOPDJX-UHFFFAOYSA-N 357.479 4.660 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCc2ccccc2)c1 2187747 KKITUHOJPQBMBC-RCCKNPSSSA-N 355.393 4.610 0 40 FJAB O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc12 4163016 ACOUXPUUXIKFSN-UHFFFAOYSA-N 368.436 4.580 0 40 FJAB Cc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(F)cc1 4695454 IFCLTRXLEAZBCI-QGZVFWFLSA-N 370.449 4.710 0 40 FJAB CCCCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 5608185 DCPKMFOWPXXKPZ-UHFFFAOYSA-N 351.475 4.651 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 6263863 UPMGPLQTOPBDCX-UHFFFAOYSA-N 351.233 4.984 0 40 FJAB COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 6515493 MHDUEDYYXVJXBB-KPKJPENVSA-N 369.461 4.662 0 40 FJAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 6536403 JFZIIGSLBAOGIC-NRFANRHFSA-N 355.441 4.585 0 40 FJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1c(Cl)cccc1Cl 7158726 RYEYWQSRGDXPDG-UHFFFAOYSA-N 361.272 4.721 0 40 FJAB CC(C)C(=O)Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 8040414 IIBCODKCTGJOKQ-UHFFFAOYSA-N 366.244 4.945 0 40 FJAB O=C(/C=C/c1cccs1)N1CCc2sccc2[C@@H]1c1ccccc1 8115263 PPKDYJIRAZFQTJ-IBDYFIJFSA-N 351.496 4.997 0 40 FJAB CCc1cccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c1 8275839 CBYMZNIBOOFCQY-UHFFFAOYSA-N 352.459 4.845 0 40 FJAB CSc1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 9112933 MMBMJPYWILYNFR-HMHCLHNZSA-N 354.566 4.526 0 40 FJAB CCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 9164631 IOKSMYHTJCIAGZ-NRFANRHFSA-N 354.519 4.943 0 40 FJAB COc1ccccc1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 9465409 CVRIHNRRNFSWLZ-UHFFFAOYSA-N 359.469 4.876 0 40 FJAB c1ccc(Cc2nnc(SCc3ccccn3)n2-c2ccccc2)cc1 12106034 XAXSTQXKLOPKMZ-UHFFFAOYSA-N 358.470 4.545 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3cccs3)ns2)c1 15669651 ZXOASQVUFDLTKR-UHFFFAOYSA-N 373.503 4.716 0 40 FJAB O=C(O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl 18194145 XTPNIAMZGVKPCL-UHFFFAOYSA-N 365.816 4.809 0 40 FJAB Cc1nc(-c2cccs2)c(CCC(=O)NCc2ccccc2F)s1 19819628 WCJMTLFWYZEFFL-UHFFFAOYSA-N 360.479 4.568 0 40 FJAB Cc1ccc(CSCC(=O)NCCSc2ccc(Cl)cc2)cc1 20237717 VUUNICFSNPMURP-UHFFFAOYSA-N 365.951 4.790 0 40 FJAB CCc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 20897469 FMGJLDBYTMQQOL-HNNXBMFYSA-N 372.534 4.874 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 21601285 NJXZRWSHLALXNF-AWEZNQCLSA-N 371.893 4.704 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(OC(=O)c2sccc2C)cc1 27383824 RLCDLZSCXYAQHF-UHFFFAOYSA-N 367.426 4.537 0 40 FJAB O=C(c1ccccc1)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 27664155 ZTHAYOIRPGPMPQ-UHFFFAOYSA-N 374.421 4.886 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NCc2ccc(-c3ccc(F)cc3)o2)c1 28925063 YBMDYOSTJVESLP-CQSZACIVSA-N 352.409 4.895 0 40 FJAB Cc1cc(SCC(=O)Nc2ncccc2C)c(C)cc1Br 32721861 PEUIJIJARWPHEE-UHFFFAOYSA-N 365.296 4.500 0 40 FJAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc(Br)c1 32803387 UXNHZOITLKLGJR-KBPBESRZSA-N 361.283 4.913 0 40 FJAB FC(F)(F)c1ccc2[nH]c([C@H]3CCN(Cc4ccsc4)C3)nc2c1 35446711 NOWYCCTVZNGESK-LBPRGKRZSA-N 351.397 4.633 0 40 FJAB biogenic,in-vitro CSc1cccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 35598017 RUVNPFYPVTWLOY-UHFFFAOYSA-N 365.462 4.895 0 40 FJAB O=C(COc1ccccc1Cl)Nc1cccnc1Oc1ccccc1 40087993 ZYQKTBVOJVOJGN-UHFFFAOYSA-N 354.793 4.545 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(Cn2cccn2)c1 44247323 XKUYEQNOCJLBJW-SFHVURJKSA-N 366.490 4.534 0 40 FJAB CN(Cn1nc(-c2cccs2)[nH]c1=S)[C@H]1CCCc2ccccc21 45773860 RIZDMTLSVZOFDD-HNNXBMFYSA-N 356.520 4.636 0 40 FJAB Cc1nn(C)c2c1[C@H](c1ccc(-c3ccccc3F)o1)SCC(O)=N2 49546061 KWTCYDRYEPILJU-KRWDZBQOSA-N 357.410 4.552 0 40 FJAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c1 49548849 UWNPGQKRISNTCW-INIZCTEOSA-N 367.836 4.717 0 40 FJAB ClC(Cl)(Cl)Oc1ccc(Br)cc1Br 95215659 WFSOVZLZWIMHOT-UHFFFAOYSA-N 369.267 4.918 0 40 FJAB c1ccc(CN2C[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1 96245626 NRDJASDCGQPBAS-UIOOFZCWSA-N 368.524 4.917 0 40 FJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 102550234 STZBREGCNXRMRU-AFJOWOCMSA-N 365.860 4.578 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1cccs1 225788544 GTCXCBDVGFYYJQ-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225906258 DOTIOTHMIJPFID-NRFANRHFSA-N 358.482 4.946 0 40 FJAB C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccc(Cl)cc1 226042386 MLRDVLNHOZJHDU-JTQLQIEISA-N 362.212 4.591 0 40 FJAB O=C(N1CCCCC1)C1(Cc2ccccc2-c2cccs2)CCOCC1 257296478 RDAMMICHCAEXKR-UHFFFAOYSA-N 369.530 4.767 0 40 FJAB Cc1ccc(C)c(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)c1 408533748 PAFMNQDPHVHEHH-UHFFFAOYSA-N 370.452 4.857 0 40 FJAB CC(C)(C)NC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408977681 JMWQLSFCYIGYQP-UHFFFAOYSA-N 374.448 4.540 0 40 FJAB Fc1ccc2c(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)noc2c1 564385845 WSAOQUSQUOEHCB-UHFFFAOYSA-N 365.330 4.765 0 40 FJAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)/C=C/c1cccnc1 728006786 QOLOXYVNPSBNPD-JXMROGBWSA-N 362.404 4.760 0 40 FJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1 661917 INENRHICQOWBEB-NSHDSACASA-N 369.465 4.785 0 40 FJAB O=C1C[C@H](c2ccco2)Cc2nc(Nc3cccc(C(F)(F)F)c3)ncc21 2224376 KZLNBWCGZBGZOO-LLVKDONJSA-N 373.334 4.745 0 40 FJAB CCOc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1 2263883 POMGSZWDLWDCCL-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2ccc(C)cc2nc1Cl 4075835 GIJICNYKDQHEOC-HXUWFJFHSA-N 363.848 4.894 0 40 FJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccccc2C)CSC3)c1 4175919 YUAHZSKKJCXCLZ-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(F)c(Oc2ccccc2)c1 4664137 RGYFZOIRRUMKIV-UYRXBGFRSA-N 359.356 4.963 0 40 FJAB C[C@@H]1CCc2nn(-c3nc(-c4ccncc4)cs3)c(C(F)(F)F)c2C1 4916200 IBALWCYAFGNELW-SNVBAGLBSA-N 364.396 4.534 0 40 FJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1 5066367 DQAMXDXAACEOAH-UHFFFAOYSA-N 354.388 4.834 0 40 FJAB aggregator CCOC(=O)c1c(NC(=O)Nc2cccc(F)c2)sc2c1CCCC2 5953175 DCEQDYNYGNDWJM-UHFFFAOYSA-N 362.426 4.587 0 40 FJAB Cc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 6531708 XNZCDXAQTDIPNB-UHFFFAOYSA-N 372.497 4.989 0 40 FJAB O=S(=O)(Nc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6588856 JMVRUTDEROMOOP-UHFFFAOYSA-N 367.514 4.955 0 40 FJAB CN1CCC(NCC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 6759099 LRIJTMWZNPBCOZ-NRFANRHFSA-N 360.904 4.685 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 7402330 QVJJETRHSDFUJC-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(Cl)cc1 8133062 ZRPJCUCXZVHLOF-MRXNPFEDSA-N 371.893 4.725 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2ncnc3ccccc23)c(Cl)c1 8188769 WJRKTXVHBOGNCU-UHFFFAOYSA-N 357.866 4.631 0 40 FJAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063371 JQCGSGTXHHGCJX-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB CC[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1 9479314 GBKRIDBLVVXRPZ-HNNXBMFYSA-N 373.865 4.899 0 40 FJAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 11314599 ZCLYRRMSBKLFHT-MGPUTAFESA-N 350.462 4.804 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 11914419 IUFZLGVLOVDOAK-UHFFFAOYSA-N 359.476 4.698 0 40 FJAB CC(C)Oc1cccc(CN2CCC(c3cc4ncccc4cn3)CC2)c1 12220302 MILHXGDYMCNUNK-UHFFFAOYSA-N 361.489 4.797 0 40 FJAB CC(=O)NCCc1ccc(C(=O)c2cc3c(ccc4ccccc43)o2)s1 12906311 KGTPQMJOUDXWNU-UHFFFAOYSA-N 363.438 4.557 0 40 FJAB CCN(CC)CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 13734112 PHGSGQFYSZQGSU-UHFFFAOYSA-N 360.929 4.741 0 40 FJAB Cc1cc(F)ccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 14061182 SWQYKPOVQQKGMP-UHFFFAOYSA-N 360.335 4.639 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc4c(c3)CCC4)c12 14233675 DUJAHRSREPRSOF-UHFFFAOYSA-N 359.385 4.532 0 40 FJAB O=C(O)c1sc2c(c1-c1ccccc1)N=C(O)C[C@H]2c1ccc(O)cc1 15082263 IYCLKKRMAMTEDB-AWEZNQCLSA-N 365.410 4.943 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(OC)c3)o2)cc1 15867376 ONNUYWPAHRTLKO-UHFFFAOYSA-N 351.402 4.535 0 40 FJAB Cc1sc2[nH]c(=S)n(Cc3cccnc3)c(=O)c2c1-c1ccccc1 17075121 IYSQXSQTVJLYFV-UHFFFAOYSA-N 365.483 4.539 0 40 FJAB O=c1cc(O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2[nH]1 18067858 KBUPMWTZONXLGG-UHFFFAOYSA-N 368.361 4.591 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSc1ccccc1 20485279 LKFVYADDRWAOAK-OAQYLSRUSA-N 365.498 4.906 0 40 FJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CC=CCC1 21930592 PKEJVMGTNXSJRL-HXUWFJFHSA-N 371.484 4.854 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c1 22534037 SCSHZJDEUXASAP-QGZVFWFLSA-N 359.897 4.782 0 40 FJAB CSc1ncccc1C(=O)Nc1ccccc1CN(C)C1CCCCC1 23352515 AHPVKFWMTPMMPP-UHFFFAOYSA-N 369.534 4.820 0 40 FJAB CC(=O)c1cccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 23716956 VHMIZJLDJNAVPW-UHFFFAOYSA-N 372.273 4.614 0 40 FJAB CC[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(C)cc1 24706988 ZOYPQJHCWLGUKC-GFCCVEGCSA-N 357.322 4.501 0 40 FJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc2ncccc12 31689219 YMQWOXBWHQTFNE-NSHDSACASA-N 361.228 4.948 0 40 FJAB Cc1noc(C)c1CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 36396143 PVTRCFYOCJHXPZ-UHFFFAOYSA-N 354.494 4.585 0 40 FJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 44935739 UOEGNSMLRGINRK-QHCPKHFHSA-N 364.533 4.783 0 40 FJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(OC(C)C)cc1 45889381 AYBHAXZHJOFCOU-UHFFFAOYSA-N 355.463 4.535 0 40 FJAB C[C@@H](Cc1ccccc1F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 59992625 LLMXIZRAIPXISS-ZDUSSCGKSA-N 368.374 4.617 0 40 FJAB COc1ccc2c(c1)S[C@H](CC(=O)Nc1cccc(SC)c1)C(O)=N2 61719389 SUODEQCOAMNPJO-MRXNPFEDSA-N 374.487 4.508 0 40 FJAB Nc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)n1 71978028 VSCASRAFQMBCIL-UHFFFAOYSA-N 360.642 4.809 0 40 FJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72358008 TUWJEIQGHQVIRM-NRFANRHFSA-N 364.489 4.535 0 40 FJAB COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(C)c2c1 82048877 HJBAPIANSROCOV-UHFFFAOYSA-N 350.256 4.775 0 40 FJAB Cc1nc(-c2noc3ccc(C(=O)Nc4cccc(F)c4)cc23)cs1 96037851 ZKDJCDVXZWTANR-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB Cc1cc(S(=O)(=O)Oc2ccnc3ccc(Cl)cc23)ccc1Cl 96305753 ZGLYYTMVPFMRHM-UHFFFAOYSA-N 368.241 4.618 0 40 FJAB O=C1[C@H]2CC[C@@H](c3ccccc3)C[C@@H]2C(=O)N1c1cccc2ccccc12 101464092 FMPOWQSUNMGUMG-GIVPXCGWSA-N 355.437 4.913 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)C[C@H](c2ccco2)C1 102660516 ITEVQBJIMWIIPU-KPZWWZAWSA-N 366.808 4.590 0 40 FJAB CSc1nc2n(n1)[C@H](c1ccccc1C)C1=C(O)CC(C)(C)CC1=N2 102670957 OAFMBRIHFRZCTF-MRXNPFEDSA-N 354.479 4.616 0 40 FJAB C[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@@H]2CCCC[C@@H]12 195528849 FQIVCERLPVIKBJ-PVXIVEMSSA-N 354.263 4.629 0 40 FJAB Cc1cccc(CN2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)c1 222799659 XBSTVTNSZKECHC-UHFFFAOYSA-N 372.512 4.677 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 224061546 JDIUXOFZDMLMDI-UHFFFAOYSA-N 373.518 4.717 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COC 224684926 RDBDWGWROOKTFR-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NCCCOC2CCCCC2)cc1 225617548 PILFZUJXGIFWPH-UHFFFAOYSA-N 360.445 4.731 0 40 FJAB O=C(C1CCCCC1)N1CCC(c2cccc(Nc3nccs3)n2)CC1 2037834855 XZNKMEUXFPQZOY-UHFFFAOYSA-N 370.522 4.568 0 40 FJAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCCCC1 793603 XMJIQXDCHKLIPO-UHFFFAOYSA-N 372.538 4.693 0 40 FJAB Cc1csc2n1c(C(=O)c1ccc(Cl)cc1)c(C)[n+]2-c1ccccc1 855447 LWRWLTQOLBHNFA-UHFFFAOYSA-N 367.881 4.779 0 40 FJAB CCc1c(C(=O)c2ccc(C)cc2)n2c(C)csc2[n+]1-c1ccccc1 1498005 QHSOIODAOHUPMN-UHFFFAOYSA-N 361.490 4.688 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1C 3323943 WCUSIBCNYUQRMK-CMDGGOBGSA-N 365.454 4.661 0 40 FJAB Cc1cc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c(Cl)c1 3341879 BCABENTXFJIZTD-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCCCCC1)oc1ccccc12 3345478 XAERRZVTCOBAHM-OAHLLOKOSA-N 366.461 4.798 0 40 FJAB CCN(c1ncnc2c1cnn2-c1cc(Cl)ccc1C)C1CCCCC1 4354804 SCIWWLCIYGZFFR-UHFFFAOYSA-N 369.900 4.936 0 40 FJAB O=C(CCCCCCCC(=O)N1CCCCCC1)N1CCCCCC1 4742800 IDOPXNBOQJSBTC-UHFFFAOYSA-N 350.547 4.522 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1nc(C)cs1 4849266 OXJHHCVXWQPZBN-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(Cl)cc1 5137125 GMPZSCOIUCAEQF-UHFFFAOYSA-N 374.868 4.884 0 40 FJAB CCOc1ccc(-c2nnc(SCc3cc(C)ccc3OC)o2)cc1 5349311 JXJDRVTUVGSJRM-UHFFFAOYSA-N 356.447 4.745 0 40 FJAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 5545811 YECFRJWJJJSBCV-CQSZACIVSA-N 355.869 4.715 0 40 FJAB Clc1ccccc1C1=Nn2c(nnc2-c2ccccc2Cl)SC1 5557205 FBMAVRVPAVWHJF-UHFFFAOYSA-N 361.257 4.610 0 40 FJAB COc1ccccc1-c1noc(COc2cc(Cl)ccc2Cl)n1 7040225 PTNJXKODANEQLX-UHFFFAOYSA-N 351.189 4.631 0 40 FJAB CCCCOc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 7261958 XZSGVXOJXPNYKO-UHFFFAOYSA-N 367.367 4.902 0 40 FJAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C 7360897 BQWKUTOCVCCKSK-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB Cc1cc(COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)no1 7834846 MVZNWPQZZCQCBF-UHFFFAOYSA-N 351.280 4.619 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc2c(c1)OCCCO2 7868993 ZDEDWFZNAODNKU-HNNXBMFYSA-N 357.475 4.584 0 40 FJAB O=C(NC1CC1)[C@H](Sc1cccc(C(F)(F)F)c1)c1ccccc1 7917983 PXJPSZVYZFFJNY-MRXNPFEDSA-N 351.393 4.817 0 40 FJAB CCOc1cccc(CNCCc2ccccc2)c1OCc1ccccc1 8325507 YHNIAFFEPHYXRR-UHFFFAOYSA-N 361.485 4.997 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 8586789 QZGZZEJADPJPTK-OAHLLOKOSA-N 372.534 4.928 0 40 FJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)cc1 8753459 TZQVFIOUIFCLJT-LBPRGKRZSA-N 365.401 4.610 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)s2)cc1 8793808 IKHKMLIJVIYYIJ-UHFFFAOYSA-N 353.447 4.553 0 40 FJAB COc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C 9063962 UCDSJLAWPAGWJM-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)(C)C)cc1 9234650 CCJPPVXMEPCYIX-UHFFFAOYSA-N 362.473 4.586 0 40 FJAB O=C(c1ccc(F)cc1F)N1CCc2sccc2[C@@H]1c1ccccc1 9576304 XWNDJTPKTZBMGK-IBGZPJMESA-N 355.409 4.814 0 40 FJAB Cc1[nH]c(SCc2nc(-c3ccsc3)no2)nc1Cc1ccccc1 12559198 ZSQOYNIGZWTYBV-UHFFFAOYSA-N 368.487 4.713 0 40 FJAB Cc1nc(COc2cccc(C(=O)Nc3cccc(C)c3C)c2)cs1 12870369 SENHCBABPZKEIE-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)N[C@H]3CCc4ccccc43)o2)cc1 13000439 NXKIAHLGGXDVMT-NRFANRHFSA-N 361.441 4.692 0 40 FJAB CCCNCc1ccc(-c2ccc(Br)cc2Br)o1 13730677 MYJIILISLPBNKD-UHFFFAOYSA-N 373.088 4.971 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(OC)c1 14375669 GXPQMNHGZBMQBO-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB CCc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 15838608 ASZAVXFYVUAXCK-UHFFFAOYSA-N 370.246 4.940 0 40 FJAB CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 17296746 IBWIMMPKHGFUQI-UHFFFAOYSA-N 364.840 4.644 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140367 WRYBPDOUUJUXGI-UHFFFAOYSA-N 373.767 4.998 0 40 FJAB COC(=O)c1ccoc1CSc1nccn1-c1cccc(Cl)c1C 23355246 KFSUVEQUUJNDTR-UHFFFAOYSA-N 362.838 4.506 0 40 FJAB O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1F 36390939 WPEMEMOIVIHWAS-UHFFFAOYSA-N 373.811 4.719 0 40 FJAB O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 38835759 CODTZFPFBJMNDI-OAHLLOKOSA-N 369.336 4.608 0 40 FJAB CC1=C[C@@]2(Nc3cc(C)cc(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545553 XSWSDBCIJLGBIS-QFIPXVFZSA-N 359.429 4.751 0 40 FJAB Cc1ccsc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42730441 YDVAUTLRRSIQKT-UHFFFAOYSA-N 360.866 4.871 0 40 FJAB COc1c(Br)cc(C(C)C)cc1C(=O)NC1CCCCC1 57339405 VYTVVRXITOQJLW-UHFFFAOYSA-N 354.288 4.644 0 40 FJAB Cn1c(C(=O)Nc2cccc(COCC3CC3)c2)cc(Cl)c1Cl 60104635 QYGYIDGDOIELMJ-UHFFFAOYSA-N 353.249 4.511 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 63790288 DBAVNJAEIBHMNM-GFCCVEGCSA-N 352.862 4.541 0 40 FJAB COc1ccc2oc(-c3ccc(CNC(=O)C4CCCCC4)cc3)nc2c1 67207104 QLSWFKKNIATXDG-UHFFFAOYSA-N 364.445 4.700 0 40 FJAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)cc1 96047254 YGQRHEGMFTYUCM-UHFFFAOYSA-N 354.563 4.935 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1Cl 98086726 HYZQFUZZGHENFP-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB C[C@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@@H]2CCCC[C@@H]12 195528851 FQIVCERLPVIKBJ-DETPVDSQSA-N 354.263 4.629 0 40 FJAB Cc1cccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1C 223898454 NLKDKXMSYYIKIR-SDNWHVSQSA-N 351.490 4.809 0 40 FJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224152432 AYOAOHJITIIFLC-SJORKVTESA-N 351.500 4.629 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)C)o2)cc1 224915281 KBISUXLKDHEYBR-UHFFFAOYSA-N 350.418 4.546 0 40 FJAB CSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225133741 NYSZVIRAFPGYMG-UHFFFAOYSA-N 358.488 4.618 0 40 FJAB CCCCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 231431348 WAGPVQRHCNGAJU-UHFFFAOYSA-N 355.544 4.667 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 257173438 NIITWBWPXPSFRM-KZNAEPCWSA-N 358.526 4.669 0 40 FJAB Cc1cc(O)nc2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)ccc12 561846654 CYLAUBLKLIUSNK-SJBKTWHCSA-N 372.468 4.657 0 40 FJAB COc1ccc2cc(C(=O)N(Cc3ccc(C)nc3)CC3CC3)sc2c1 1537399207 LGSCXWFFCKAKAD-UHFFFAOYSA-N 366.486 4.666 0 40 FJAB CCOc1ccc(N2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 1248139 JMYPJJJGXVVQOD-WJDWOHSUSA-N 359.834 4.980 0 40 FJAB COc1cc(SC)ccc1C(=O)Nc1ccc(C)cc1Br 2647120 DKCJWYHHEKTUOW-UHFFFAOYSA-N 366.280 4.740 0 40 FJAB O=C(OCc1csc(-c2ccccc2)n1)c1cnc(Cl)c(Cl)c1 3263829 APOYOKGSEOHYNN-UHFFFAOYSA-N 365.241 4.869 0 40 FJAB Cc1ccc(CSC2=N[C@@H](C(C)C)C(=O)N2c2ccc(C)cc2)cc1 3300135 WFOKETGOQDYKGE-IBGZPJMESA-N 352.503 4.964 0 40 FJAB Cc1ccc([S@@](=O)(=NC(=O)c2ccccc2)Oc2ccccc2)cc1 5218269 WGNAYXYMNHTZTR-VWLOTQADSA-N 351.427 4.656 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3CS2)c1 5325105 PUIVHVJQCBOARU-ZDUSSCGKSA-N 370.499 4.884 0 40 FJAB COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1F 5332951 GIDAURWPRCQXCY-UHFFFAOYSA-N 373.428 4.859 0 40 FJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(c2cccc(C(=O)O)c2)C1=O 5376136 YFNIPUJYZVXQHD-YAXRHUFXSA-N 365.410 4.572 0 40 FJAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc([N+](=O)[O-])cc1 6961871 MWFUEQAMPYOGMT-DEDYPNTBSA-N 373.412 4.519 0 40 FJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(C)c3)n2C)cc1 6963720 MEFJMWRFXPYTOS-DQRAZIAOSA-N 366.486 4.510 0 40 FJAB Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@@H](C)c1ccccc1 7194221 OXLQPPSEKNGFMK-ZDUSSCGKSA-N 357.504 4.541 0 40 FJAB COC(=O)c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 7539218 JDKJXWQSBZEGMN-UHFFFAOYSA-N 374.440 4.547 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSC1CCCCC1 8040792 YAOLYGPGAZXUGD-QGZVFWFLSA-N 355.931 4.680 0 40 FJAB Cc1nc2cc(C(=O)Nc3ccc(F)cc3F)ccc2n1-c1ccccc1 8281388 ULPWKJVSCXZOGG-UHFFFAOYSA-N 363.367 4.864 0 40 FJAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 9360770 BSMOKMCACLKUEA-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c2c1 9463358 PIXCFJCUHPXEMZ-UHFFFAOYSA-N 374.465 4.745 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 10332484 FOEPTAAFIMQBPB-UHFFFAOYSA-N 364.489 4.629 0 40 FJAB C/C(=C\c1ccccc1)CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccc(F)cc2)C1 12129046 XBROMOWZXFCOPQ-NECQWFDASA-N 361.464 4.835 0 40 FJAB CC(C)c1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1 12730129 OZBIFUYQRUIQDU-UHFFFAOYSA-N 357.508 4.547 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)cc3C)cs2)cc1 12777757 RXTZIMBRELOJSD-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c12 12795467 YCWNTXBLVRMCPD-SNVBAGLBSA-N 355.825 4.553 0 40 FJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 13001989 LACVOLPWKLOPRU-CQSZACIVSA-N 357.413 4.689 0 40 FJAB CCCSc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 13282010 HFVHKODKTKGRDR-UHFFFAOYSA-N 359.520 4.901 0 40 FJAB Cc1cc(-c2csc(NC(=O)c3ccc4nccnc4c3)n2)c(C)s1 14136024 DVEAVKRTWSVGSH-UHFFFAOYSA-N 366.471 4.684 0 40 FJAB CCOc1ccc(OCc2nc(-c3cc(C)nc4ccccc34)no2)cc1 17074396 RXCQCEKJSQWZKS-UHFFFAOYSA-N 361.401 4.571 0 40 FJAB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cc(N)ccc1OC 19736742 IBYZDFDXENTZJI-KDOFPFPSSA-N 356.466 4.587 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)c(C)c1 20044758 OUYDNPGHUYYBSL-UHFFFAOYSA-N 363.413 4.586 0 40 FJAB CCc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 20578928 KWCHNCCGIZRPDL-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28303493 XMPUONVDRDJXRU-UHFFFAOYSA-N 357.866 4.808 0 40 FJAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1cccc(F)c1 32097338 GEZJTZIBHCEAFB-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Nc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Br 40296106 FIPGEMVBIVAXGB-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB c1ccc(CN(Cc2ccccc2)Cc2nnc(-c3ccccc3)o2)cc1 54220059 KHFWVRPMIXISKP-UHFFFAOYSA-N 355.441 4.939 0 40 FJAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1 61997126 FDNLBUFKPRYTIJ-UHFFFAOYSA-N 366.417 4.780 0 40 FJAB CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 67295355 XDPFOSRBMHQKGT-BZZOAKBMSA-N 372.424 4.751 0 40 FJAB Fc1ccccc1-c1ccc(CNCc2ccc3c(c2)OCCO3)s1 71798162 RXQYZQUKWDWLHR-UHFFFAOYSA-N 355.434 4.615 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214316 HZEQIILQADIFEI-CQSZACIVSA-N 363.458 4.501 0 40 FJAB Fc1cccc(Cc2cccc(C3CCN(Cc4ccccn4)CC3)n2)c1 72348947 OMKJFUXGICPDET-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB O=C(Nc1ccccc1C(=O)O)/C(Cl)=C/c1ccc(Cl)c(Cl)c1 77024561 CTDIQJBZKRRDAL-JYRVWZFOSA-N 370.619 4.910 0 40 FJAB COc1ccc(-c2nnc(NCc3scnc3C)c3ccccc23)cc1 96006380 QEEHTOOPRDGFDB-UHFFFAOYSA-N 362.458 4.682 0 40 FJAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)c(C)c1 139012165 PIASYCAOFDYVDE-AWEZNQCLSA-N 351.368 4.578 0 40 FJAB CSc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2F)CC1 219104611 QPHUJFDPVLAXCS-GOSISDBHSA-N 361.507 4.868 0 40 FJAB CCSc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 223628243 SMVLDPJLWWTANX-UHFFFAOYSA-N 351.471 4.761 0 40 FJAB CCN(CC)C(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224208168 FYCBDYUWYWMQHE-UHFFFAOYSA-N 361.869 4.718 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccc(C)c(C)c1 224617578 BQBRIWFBFZJPAH-QGZVFWFLSA-N 355.478 4.809 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924257 RWFXIFRLZKLCMM-LJQANCHMSA-N 358.869 4.736 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 224976778 RWWUODBGORAJAR-UHFFFAOYSA-N 366.505 4.992 0 40 FJAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225331663 AOWIGHCHYKUJJZ-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB S=C(NCc1ccco1)c1ccccc1OCc1ccc(Cl)cc1 408572694 HRLQHPFGGLJDRZ-UHFFFAOYSA-N 357.862 4.977 0 40 FJAB O=C(Nc1ccccc1N1CCOCC1)c1cccc2c(Cl)cccc12 408620705 JDEANOFBPQHROA-UHFFFAOYSA-N 366.848 4.582 0 40 FJAB CCc1ccc2oc(-c3cc(NC(=S)NC(C)=O)ccc3Cl)nc2c1 408624862 CUAGBAYCZZRJNU-UHFFFAOYSA-N 373.865 4.544 0 40 FJAB COc1cccc(-c2nnc(SC(=O)c3cccc4ccccc34)o2)c1 408670934 YOMDWKWDJXOBON-UHFFFAOYSA-N 362.410 4.831 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CC2(CCCC2)c2c(F)cccc21 500150850 NLSNATOFIIYFLQ-UHFFFAOYSA-N 352.434 4.908 0 40 FJAB CC(C)Oc1ccc(-c2noc(Cc3cscn3)n2)c(C(F)(F)F)c1 664780230 NYPAIKCNLHHCBD-UHFFFAOYSA-N 369.368 4.590 0 40 FJAB CCn1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 703986 LDDGVCBQPZCEID-QGZVFWFLSA-N 355.441 4.730 0 40 FJAB O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 843738 GWYNCPHSVZRTDS-ZHACJKMWSA-N 366.804 4.837 0 40 FJAB CC(C)c1ccccc1NC(=O)c1cccc(I)c1 869711 ODCYUKJXYLXXTA-UHFFFAOYSA-N 365.214 4.667 0 40 FJAB O=C(c1ccc(COc2ccccc2Br)cc1)N1CCCCC1 998807 ZZLYSPCQPXRIKW-UHFFFAOYSA-N 374.278 4.654 0 40 FJAB CCN(CC)c1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 1097939 UUXBZDNYOZWARK-UHFFFAOYSA-N 361.283 4.856 0 40 FJAB Cc1ccc(S[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3053190 OGAQXYOPIHTGAY-CYBMUJFWSA-N 354.730 4.946 0 40 FJAB CCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)ccc2C)o1 4585709 HLUIOCZVMRVVBV-UHFFFAOYSA-N 353.447 4.718 0 40 FJAB O=C(NCc1ccccc1)c1cc2sccc2n1Cc1ccc(F)cc1 4971310 IKQYAUKXIONRPW-UHFFFAOYSA-N 364.445 4.820 0 40 FJAB Cc1cccc(OCCSc2nnc(-c3ccccc3F)n2C2CC2)c1 5312943 CGINRDADWIIFCW-UHFFFAOYSA-N 369.465 4.899 0 40 FJAB CCN(CC)CCCN[C@@H](C)C[C@]1(c2ccccc2)CCOC(C)(C)C1 5347063 PNIFHKSWZZWSNA-NZQKXSOJSA-N 360.586 4.614 0 40 FJAB FC(F)(F)c1ccccc1-n1c(S)nnc1-c1cccc(Cl)c1 6189907 XAZURHOHHORKPA-UHFFFAOYSA-N 355.772 4.895 0 40 FJAB Cc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 6811722 DTNLVWACJVSXCI-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB O=C1c2ccccc2N[C@H](c2c[nH]c3ccccc23)N1Cc1ccccc1 7088010 YHXLUHQHXAGVFA-QFIPXVFZSA-N 353.425 4.935 0 40 FJAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1C 7580303 NDPNLOVZAAJHIO-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCc2ccccc21 8126762 HXGGXHBPTDGCSA-QGZVFWFLSA-N 363.288 4.941 0 40 FJAB COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)c1OC 8169004 FAJDEBOTEUDOBK-UPRAQXHNSA-N 359.853 4.992 0 40 FJAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N(CC)CC 8495730 FGKFUGUEQMFRPV-UHFFFAOYSA-N 356.491 4.533 0 40 FJAB Cc1cccc(O[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 9190807 SDLOFKHEZNFFJI-GFCCVEGCSA-N 359.223 4.948 0 40 FJAB O=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S1 13146031 ZKLAGSAGWMECRU-XFFZJAGNSA-N 353.877 4.877 0 40 FJAB Cc1ccc(Cl)c(NC(=O)CSc2nc3ccccc3[nH]2)c1Cl 13284284 QMPXQGSUPWMMPY-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB CCN(CC)c1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17288098 LJSQTRQLFVBJIV-UHFFFAOYSA-N 372.476 4.714 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(C(C)C)cc1 20106067 AAEOXMNVBRZTAV-OAQYLSRUSA-N 353.506 4.943 0 40 FJAB CCN(C(C)=O)c1nc(CSC2=Nc3ccccc3CS2)cs1 22022276 LUGACHPKWBKFMR-UHFFFAOYSA-N 363.533 4.684 0 40 FJAB CSc1ccc([C@H](C)NC(=O)c2cc(F)ccc2Br)cc1 27162130 QKOWWUGWGNDJLJ-JTQLQIEISA-N 368.271 4.801 0 40 FJAB COc1ccccc1-c1csc(NC(=O)CSc2ccc(C)cc2)n1 28232815 FJOHZRPFGHYZSX-UHFFFAOYSA-N 370.499 4.858 0 40 FJAB COc1cccc2cc(/C=C/C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)oc12 32970299 SHYNOYKVIYZLOG-SXQONABPSA-N 365.429 4.830 0 40 FJAB C[C@@H](NC(=O)CCC1CCCC1)c1ccc(OCc2cccnc2)cc1 36398049 DPCFVTTUIHYTFU-QGZVFWFLSA-N 352.478 4.808 0 40 FJAB CCOc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 43568664 GYIAPLPLOLNNDY-UHFFFAOYSA-N 356.369 4.793 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccc(Cl)cc1 49548387 WXZZZLKWXKVCAX-INIZCTEOSA-N 367.836 4.717 0 40 FJAB Cc1cn2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc2n1 58406500 SFUWTIUHHLVZGA-UHFFFAOYSA-N 355.441 4.803 0 40 FJAB FC(F)(F)c1ccn(-c2ccc(CNc3nc4ccccc4o3)cc2)n1 58406835 COOOZEYIGUQPEG-UHFFFAOYSA-N 358.323 4.644 0 40 FJAB CN(C(=O)/C=C/c1cc2cc(Br)ccc2o1)c1ccccc1 67340050 KARNVLJNLBGZBW-CSKARUKUSA-N 356.219 4.872 0 40 FJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(Cl)c2c1 72329837 PVFCNUQRRVJFEO-UHFFFAOYSA-N 366.269 4.991 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349618 WBNMYEXGKKTHSS-GOSISDBHSA-N 352.453 4.784 0 40 FJAB CC(C)c1noc2ncc(-c3nnc(Cc4ccc(Cl)cc4)o3)cc12 75136595 NNWIQEZOCLWQGJ-UHFFFAOYSA-N 354.797 4.640 0 40 FJAB Clc1ccc(C2(c3ccc(Br)cc3)CCNCC2)cc1 89212551 HMEHLWUVHGJFIM-UHFFFAOYSA-N 350.687 4.772 0 40 FJAB CCc1cc2c(=O)c(-c3ccccc3Cl)c(C)oc2c(COC)c1O 94993387 CZFAJBDLPNKNKP-UHFFFAOYSA-N 358.821 4.836 0 40 FJAB COc1cccc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1 96047240 VEXFZRAWEFIBKQ-UHFFFAOYSA-N 370.562 4.635 0 40 FJAB O=C(Nc1cccnc1SCc1ccccn1)c1ccccc1Cl 96224096 HXLLQFVWPJPBJM-UHFFFAOYSA-N 355.850 4.675 0 40 FJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccc(F)cc3)c2)o1 96295612 HDEVKIACDMCFLY-UHFFFAOYSA-N 358.752 4.909 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2c(Cl)cccc23)c1 101170066 PJRBAVHSBAOYNV-APWZRJJASA-N 358.894 4.891 0 40 FJAB O=C(Nc1cccnc1)c1ccc(OCCSc2ccccc2)cc1 113949012 GCAUYGBIHNQHFU-UHFFFAOYSA-N 350.443 4.505 0 40 FJAB Cc1ccc(CSCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223400083 OPYKSBSLGQKGQV-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB Cc1cccc(CSCC(=O)NCCOc2cccc3ccccc23)c1 223570316 SGKXTBMUGWBTSN-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CC(C)C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1 225016985 PLAJWIBNYIIENI-NRFANRHFSA-N 351.490 4.848 0 40 FJAB CC(C)c1ccccc1O[C@H](Cc1cccc(Br)c1)C(=O)O 225063641 FCTWUGUFGQAIKT-QGZVFWFLSA-N 363.251 4.647 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 225297259 BJVVZCADKODBLQ-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB S=C(NCCSC1CCCCC1)Nc1cccc(Br)c1 225356545 NGWQFOKEAPKTEX-UHFFFAOYSA-N 373.385 4.801 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc3c(c1)CCCC3)CC(C)(C)O2 225633137 RIZCXRINDGZMJT-FQEVSTJZSA-N 365.473 4.606 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225807189 WEXAPMVMBODYDP-QGZVFWFLSA-N 365.517 4.774 0 40 FJAB CCOc1ccc(CCC(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 569167198 SKAXDPBCXGNUSL-UHFFFAOYSA-N 362.429 4.844 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)o2)c1 687468 BUOWOGYFUAUJIP-UHFFFAOYSA-N 367.474 4.701 0 40 FJAB CC(=O)c1sc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)nc1C 1903873 ZVKMVJHFKJVALZ-UHFFFAOYSA-N 374.506 4.749 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2ccccc12 3219374 CXVOIIKZWBKAPG-UHFFFAOYSA-N 353.805 4.597 0 40 FJAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccccc1 4088081 IMXKWQCUJPDJDK-LJQANCHMSA-N 367.905 4.944 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 4342364 ZOZFZRKEOXCKSJ-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CC(C)C(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 4478318 POOXSFDRNHSDLF-UHFFFAOYSA-N 354.837 4.772 0 40 FJAB CCCC[C@H](CC)C(=O)OCCOCCOC(=O)[C@@H](CC)CCCC 5822049 GWQRPOCMBMQBTK-ROUUACIJSA-N 358.519 4.522 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1 6553152 WSESCZGJNTXTCS-UHFFFAOYSA-N 364.367 4.828 0 40 FJAB COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 6970905 CECVHFUTPVFXEW-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB O=C(OCc1coc(-c2cccs2)n1)C1(c2ccc(Cl)cc2)CC1 7491321 BVFJYJHTVYBMCG-UHFFFAOYSA-N 359.834 4.832 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21 7989524 OPYLESZRJAJECC-QHCPKHFHSA-N 373.500 4.616 0 40 FJAB CCOc1cc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)cc1Cl 8132505 NLFDHHPUAPSUJB-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1OC 8163789 YOEWOHNYWDMFTN-XMHGGMMESA-N 357.409 4.923 0 40 FJAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1C 9461810 PWPNBBWWLUIDKI-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1C/C=C/c1ccccc1 11667420 RNUPUPYWMHSUKT-VDZSZVPASA-N 371.440 4.834 0 40 FJAB Cc1ccc2cc(CN(C(=O)C(C)(C)C)C3CCCCC3)c(=O)[nH]c2c1 13750184 KRELNBKDDHOWBJ-UHFFFAOYSA-N 354.494 4.544 0 40 FJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cc2ccccc2o1 14189618 QMKGPEVXHQQHTR-UHFFFAOYSA-N 351.793 4.583 0 40 FJAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 15422575 MBKGHXXSXRXBHM-UHFFFAOYSA-N 354.793 4.811 0 40 FJAB Cc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)oc2ccccc12 15832100 CPQKGPKGPXCTIX-UHFFFAOYSA-N 360.413 4.902 0 40 FJAB COc1cccc(CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1OC 19598355 HBBGVTGGBSOFHV-UHFFFAOYSA-N 373.452 4.846 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 20460423 VSYBXFGMRXABDK-IRXDYDNUSA-N 363.457 4.883 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 22009125 XBLNAVCUYFMXFV-UHFFFAOYSA-N 370.518 4.516 0 40 FJAB CCOc1ccccc1-c1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)o1 24046912 XCLFGBVIJIVHLY-NSHDSACASA-N 374.466 4.669 0 40 FJAB COc1cc([C@H](C)NC(=O)c2c(F)cccc2Cl)ccc1OC(C)C 26948675 XEFNDQRAIKDRCI-LBPRGKRZSA-N 365.832 4.766 0 40 FJAB CCC(=O)Nc1ccc([C@H](C)NCc2csc(Br)c2)cc1 30640187 PHROUQPIJWRNEH-NSHDSACASA-N 367.312 4.710 0 40 FJAB O=C(CSc1nccn1C1CC1)N(C1CCCCC1)C1CCCCC1 32883995 ZYXJOYXMKSRJSQ-UHFFFAOYSA-N 361.555 4.804 0 40 FJAB CC(C)c1ccc(NC(=O)CSCc2cc(=O)c3ccccc3[nH]2)cc1 33063950 XFWWSVJQWVMURR-UHFFFAOYSA-N 366.486 4.523 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1Nc1ccccc1 36393741 PNEAAJVPTZGBNC-UHFFFAOYSA-N 371.440 4.809 0 40 FJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1CCCC1 40040598 UHJJNOOGPJJDFI-MRXNPFEDSA-N 350.462 4.649 0 40 FJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1Cn1cccn1 40152271 XKLSGMPNJMVIHT-NRFANRHFSA-N 360.461 4.609 0 40 FJAB Cc1cc2oc(=O)cc(CN(C[C@H](C)O)c3ccccc3)c2cc1C(C)C 58425906 AYHOETXMFQCXLY-KRWDZBQOSA-N 365.473 4.612 0 40 FJAB COc1ccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 59851978 CPZQLIOFRZTFLA-UHFFFAOYSA-N 373.496 4.966 0 40 FJAB O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2sc3c(c12)CCCC3 60486231 YNFSDNHFYZXMKX-UHFFFAOYSA-N 351.258 4.837 0 40 FJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357979 CSARAZZPTUBOOB-HSZRJFAPSA-N 374.459 4.718 0 40 FJAB CCCOc1ccc(NC(=O)Nc2c(C)nn(CC)c2C)cc1Cl 76069341 HMRHOHFOVUXMIF-UHFFFAOYSA-N 350.850 4.606 0 40 FJAB COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1C 79106299 VZMRVOGMPBTYFG-LJQANCHMSA-N 360.413 4.588 0 40 FJAB O=C(c1cccs1)c1ccc(CNC(=O)c2ccccc2Cl)s1 85474148 UKDBLMJRBBUNHR-UHFFFAOYSA-N 361.875 4.624 0 40 FJAB CCCC[C@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96113981 NYWWAIACGJVGOL-KNQAVFIVSA-N 367.574 4.948 0 40 FJAB biogenic CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 96252982 GFZQNLFTCSUBSR-JOCHJYFZSA-N 374.440 4.865 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219317783 UXHGARIBDQPSMP-VQTJNVASSA-N 367.489 4.879 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 222897262 UQVVMZPPFNAQRF-QFIPXVFZSA-N 369.505 4.554 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 223183044 CKDSLKOJEZFPJE-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB O=C(CCSc1ccccc1)NCCOc1ccc2ccccc2c1 223582307 LFAMLUCAJMFYFA-UHFFFAOYSA-N 351.471 4.517 0 40 FJAB CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225063221 RLVBPSGGJPNQMS-UHFFFAOYSA-N 366.269 4.972 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 225150680 QJXOCCDZQKXTAR-HOTGVXAUSA-N 355.478 4.637 0 40 FJAB Cc1ccccc1-c1noc(CN(C)C(=S)Nc2ccc(Cl)cc2)n1 225466545 AXHZEDQWFSFUTK-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)cc1 225483547 ZTKFAPJQXZTPRB-KRWDZBQOSA-N 356.491 4.528 0 40 FJAB CCc1nc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2n1C 225897736 PWGVFQWWOAPLES-UHFFFAOYSA-N 369.468 4.655 0 40 FJAB Cc1cc(Oc2ccccc2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963166 YQHCZVWRANKCKX-OAHLLOKOSA-N 364.474 4.625 0 40 FJAB COc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3C)o2)cc1Cl 226765637 ZDNKAFMWSFPNQQ-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB O=S(=O)(Nc1c(O)cccc1Cl)c1ccccc1-c1ccccc1 647919704 NCAJBEMDCOZTBW-UHFFFAOYSA-N 359.834 4.513 0 40 FJAB Cc1[nH]c2ccccc2c(=NC(=O)c2ccc(C(F)F)nc2)c1C(C)C 653756433 MHPSHYZOVSNTND-UHFFFAOYSA-N 355.388 4.673 0 40 FJAB O=C(Nc1cnc2c(c1)CCCC2)c1cncc(-c2ccc(Cl)cc2)c1 1522381303 HKUYFTFQLYJBCN-UHFFFAOYSA-N 363.848 4.928 0 40 FJAB CCSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 857335 KLZNRAWYCWTFHJ-UHFFFAOYSA-N 354.519 4.800 0 40 FJAB biogenic CC[C@]1(C)Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CO1 985046 WKOSVJGIGWXNAM-LJQANCHMSA-N 371.531 4.807 0 40 FJAB CC(C)OC(=O)N[C@@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2071646 OFEQDKVKFZGQRC-JTQLQIEISA-N 361.052 4.550 0 40 FJAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1 2446348 BEPXWXMUTMHYLN-UHFFFAOYSA-N 369.881 4.787 0 40 FJAB COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccccc2)s1 2662564 FMOKLOIMDVGFMO-UHFFFAOYSA-N 371.487 4.785 0 40 FJAB aggregator O=C1c2cccc(OCc3ccccc3)c2CCN1Cc1ccccc1F 2716481 KSHCMASNCKOFMY-UHFFFAOYSA-N 361.416 4.603 0 40 FJAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)cc1C 3117429 MNUTXCCRYHRUAY-JXFKEZNVSA-N 368.477 4.583 0 40 FJAB biogenic CCOc1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)cc1 3887389 ADRIAXARKLIRED-UHFFFAOYSA-N 353.491 4.919 0 40 FJAB Cc1ccc(Cn2cc(SCC(=O)N3CCCC3)c3ccccc32)cc1 4059709 IHWHBWAPSVYABA-UHFFFAOYSA-N 364.514 4.713 0 40 FJAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1 4273150 ZZZBZSGETVNMMV-UHFFFAOYSA-N 365.483 4.908 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1nc2ccc(F)cc2s1 5559151 PGTMZFHBHIPBGE-UHFFFAOYSA-N 352.390 4.606 0 40 FJAB C[C@H](NC(=O)/C=C\c1ccco1)c1nc2ccccc2n1Cc1ccccc1 6187590 SQDVIQOMBJHZFW-NJWFCXLTSA-N 371.440 4.568 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccccc3F)s2)c1 6237385 QFXKRZKCWDPWFQ-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 7146528 HAYHGMSJCQTZOY-UHFFFAOYSA-N 359.344 4.596 0 40 FJAB Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2C)c1 7236349 LAKOHYNSQNYWHX-UHFFFAOYSA-N 359.882 4.648 0 40 FJAB Cc1ccc(-c2nnc(SCc3nnc(-c4cccc(C)c4)o3)o2)cc1 7485429 FIXIGQRIEGDQAI-UHFFFAOYSA-N 364.430 4.696 0 40 FJAB O=C(c1ccc(COc2ccccc2)o1)N1CCSc2ccccc21 8231375 ACXXUIGHEOMEKI-UHFFFAOYSA-N 351.427 4.611 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(C)c2)cc1 8404002 GLQPKQJKICEDGU-INIZCTEOSA-N 365.502 4.862 0 40 FJAB Cc1cccc(CSCCNC(=O)COc2ccccc2C(C)(C)C)c1 8558769 NMKROIZLBYWZIN-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1Cl 9063578 YMTKGKGDRGORGW-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1 9348571 PJCQDOGEHOWRGL-UHFFFAOYSA-N 374.444 4.501 0 40 FJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)CCC2 10733036 XFMGNCWLIYPIMU-UHFFFAOYSA-N 371.436 4.689 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1F 12760540 LVBRZPGPLDIGCG-WDEREUQCSA-N 356.224 4.777 0 40 FJAB Cc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 12914033 NXFQVJYMSIIVAC-FQEVSTJZSA-N 368.527 4.704 0 40 FJAB O=C(CCSCc1cccc(F)c1F)NCc1ccccc1Cl 13016004 WKRVIGOJHKXZGH-UHFFFAOYSA-N 355.837 4.558 0 40 FJAB CC(=O)c1ccc2ccccc2c1OCC(=O)N[C@@H](C)c1ccccc1C 14232955 DMXIVZVKZVFKSY-INIZCTEOSA-N 361.441 4.607 0 40 FJAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 15350350 UENIGJMNCLOBGH-UHFFFAOYSA-N 360.251 4.613 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 15578898 DTSUJACXZXVDGD-UHFFFAOYSA-N 374.868 4.925 0 40 FJAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1C1CCCC1)CCC2 15840371 SWDNNNMECKFCNO-UHFFFAOYSA-N 360.910 4.793 0 40 FJAB CCOc1ccc(NC(=O)c2ccccc2Br)c2cccnc12 15840741 FTHPEZDMVLMCGR-UHFFFAOYSA-N 371.234 4.648 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 20030026 JHDAZSISQGXRTE-ZDUSSCGKSA-N 367.898 4.512 0 40 FJAB COc1ccc(CCn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 20799317 FTDQQRJGYYWOGU-UHFFFAOYSA-N 370.452 4.623 0 40 FJAB Cc1nccn1-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 28305319 QOLXUMWKAJWKMV-UHFFFAOYSA-N 360.339 4.844 0 40 FJAB Cc1nc(COc2ccc(/C=C/C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cs1 29515872 SSLLIPQUWCPUJG-OFVOXDDOSA-N 370.518 4.548 0 40 FJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 30729188 FKDRTPPOFBKQAT-FQJIPJFPSA-N 374.521 4.813 0 40 FJAB biogenic,in-vitro C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cc2ccccc2o1 32740954 IZRPEEGVRNSJCT-HNNXBMFYSA-N 371.440 4.987 0 40 FJAB NC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 33407638 DAPSBYMSZAOQGY-KXXLANPWSA-N 367.399 4.640 0 40 FJAB CC1(C)CC(N(Cc2ccc(F)cc2)Cc2cccnc2)CC(C)(C)N1 36740457 VLUJJRYSNUUFFD-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB CCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C 65322294 RRCPERKKUDWILC-UHFFFAOYSA-N 356.514 4.588 0 40 FJAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H](C)CCC[C@H]3C)cc2F)n1 76069316 IOYSVQIHZHRSSL-UKRRQHHQSA-N 358.461 4.671 0 40 FJAB CC(C)[C@@H](N[C@H]1CCc2c(F)cc(Br)cc21)c1ccccn1 95968211 WNPQMUMEKDHPHG-FUHWJXTLSA-N 363.274 4.957 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(Cl)c2Cl)C1 102222742 FDDWLPBXZBOSPT-MEDUHNTESA-N 362.322 4.583 0 40 FJAB C[C@H](c1ccccc1)N(Cc1ccncc1)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 105549148 YLBRGPDFOXNXKK-LGYWMIHWSA-N 365.546 4.708 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 170569439 NCMQNAMJFMGPIS-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB C[Si](c1ccccc1)(c1ccccc1)[C@@H]1Cc2cccc3cccc1c23 195786954 OLDWHYHXGFBURW-XMMPIXPASA-N 350.537 4.912 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222801895 LYVRINWMNPEKNN-HXUWFJFHSA-N 353.849 4.967 0 40 FJAB COc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1C 223007540 NOXHQHMWENOGGL-UHFFFAOYSA-N 352.261 4.559 0 40 FJAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 224565714 XRQBZOZPYXUEJN-LBPRGKRZSA-N 372.317 4.736 0 40 FJAB C[C@@H]1[C@H](O)CC[C@@H]2[C@@](C)(COc3ccc4ccc(=O)oc4c3)CCC[C@]12C 254519291 HCHKBKRQLFXVQM-MBMKLCEZSA-N 370.489 4.775 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C 408627111 KGUCZLWJBCSVDB-UHFFFAOYSA-N 369.515 4.885 0 40 FJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C1CCCCC1 408714959 ZKUKNOABUHHPLP-UHFFFAOYSA-N 355.482 4.573 0 40 FJAB CCc1cc(Oc2cncc(-c3ccccc3)c2)nc(-c2ccncc2)n1 563757822 TUTZAJBPEJVZMI-UHFFFAOYSA-N 354.413 4.955 0 40 FJAB O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(C(F)(F)C(F)(F)F)cc1 1537703493 DFWNZHPHBIBBDI-OAHLLOKOSA-N 373.296 4.897 0 40 FJAB O=S(=O)(c1c(Cl)ccc2ccccc12)N1CCCC2(CCCC2)C1 1622039294 MLCYXAYRKFUJAN-UHFFFAOYSA-N 363.910 4.838 0 40 FJAB COc1cccc(NC(=O)NCc2cc(-c3ccsc3)cs2)c1OC 1775969647 DUMSLUNNCTWTJK-UHFFFAOYSA-N 374.487 4.816 0 40 FJAB CSc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1 664491 RKWCBORIQSENIY-UHFFFAOYSA-N 369.515 4.732 0 40 FJAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2ccc(Cl)cc2)o1 856255 BLBAHPDWBZHLAK-UHFFFAOYSA-N 359.168 4.817 0 40 FJAB S=C1N(c2ccccc2)[C@H](c2c(Cl)cccc2Cl)N2CCCN12 2325049 YBCGBOJGOYQVQM-MRXNPFEDSA-N 364.301 4.720 0 40 FJAB CC1(C)[C@]2(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC[C@@]1(C)C(=O)O2 2890490 PZMYQJPTKLOLNI-FCHUYYIVSA-N 365.429 4.539 0 40 FJAB O=C([C@H]1CCCO1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3360454 QXDCCNRMIKJNSG-OAHLLOKOSA-N 358.850 4.793 0 40 FJAB Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)c1 4328238 VCXICBDDVBFRLN-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5467955 MHIIRUISZBFHSO-GDBMZVCRSA-N 370.880 4.845 0 40 FJAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)c2ccc(F)c(F)c2)cc1 6056455 WAINJGJLLMDQCB-GFCCVEGCSA-N 373.428 4.526 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(C2CCCCC2)cc1 6822763 FFSUEAVVIXHPLB-UHFFFAOYSA-N 364.489 4.823 0 40 FJAB O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1noc2c1CCCCC2 7000107 RRZLQPBUQAOKCS-UHFFFAOYSA-N 357.797 4.504 0 40 FJAB c1ccc(CN2CN(CCc3cccs3)Cn3c2nc2ccccc23)cc1 7499270 TYDQNKPKFJGRQR-UHFFFAOYSA-N 374.513 4.578 0 40 FJAB CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7684923 XDDIMIUFLCGVQO-KRWDZBQOSA-N 350.487 4.879 0 40 FJAB Cc1cc(-c2nnc(CSc3nc4ccc(Cl)cc4[nH]3)o2)c(C)o1 8013320 ARUGDEDIQAWXHF-UHFFFAOYSA-N 360.826 4.768 0 40 FJAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 8229575 ICXMHFHDPYRHMH-QFIPXVFZSA-N 357.457 4.772 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9141868 YXSOMYCEFJUJTR-UHFFFAOYSA-N 362.429 4.695 0 40 FJAB CC(C)(C)Nc1nnc(SCc2cc(Cl)cc3c2OCOC3)s1 9446363 HDQDDIDTDGWIRJ-UHFFFAOYSA-N 371.915 4.561 0 40 FJAB Cc1cc2occ(CC(=O)Nc3ccnn3Cc3cccs3)c2cc1C 9447344 RXVZWPBULUDXON-UHFFFAOYSA-N 365.458 4.537 0 40 FJAB Cc1cccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1C 10289157 FSTDOPUEORGMFF-NRFANRHFSA-N 369.461 4.789 0 40 FJAB COc1ccc2cc(COC(=O)c3c(F)cccc3F)c(Cl)nc2c1 11129212 ISKXVUWTHOIDGV-UHFFFAOYSA-N 363.747 4.532 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 12602206 HIIMVKVZZAEENL-HUUCEWRRSA-N 372.490 4.554 0 40 FJAB CC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(C)oc2c1C 12602213 VFXXRCVNTHNJDI-UHFFFAOYSA-N 359.381 4.550 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 14399547 VLJPAPANQNALIC-MRXNPFEDSA-N 365.404 4.811 0 40 FJAB CCOc1cc(C(=O)Nc2ccc(C)c(F)c2)nc2ccc(Cl)cc12 15829209 BFTPUSFDTMRMHI-UHFFFAOYSA-N 358.800 4.987 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)c1 15832371 LCVNEAIWUKIESF-MRXNPFEDSA-N 366.486 4.511 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSC1CCCCC1 20454886 RXAQUQGMPCMXHV-INIZCTEOSA-N 355.931 4.680 0 40 FJAB COc1cc(CN[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C 22773723 ZIKMGVKDGDHWAM-IFXJQAMLSA-N 358.482 4.547 0 40 FJAB O=C(CSCCOc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 23411626 VEJPWBOHMFSDSF-UHFFFAOYSA-N 373.371 4.595 0 40 FJAB CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)ncn2)cc1 24840008 GDUJBXLNSNDQGL-UHFFFAOYSA-N 350.422 4.761 0 40 FJAB Cc1ccc(C)c(CC(=O)NCCSCc2c(F)cccc2Cl)c1 30866186 KZTAJPNPOOLRQW-UHFFFAOYSA-N 365.901 4.688 0 40 FJAB O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccco1 32623602 OREJGBBKSYQPFE-UHFFFAOYSA-N 365.776 4.902 0 40 FJAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 32889579 HLLORIGQAFODLR-HRAATJIYSA-N 368.477 4.605 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccccc2)c1 41008070 WEMHTIUVHSWJMZ-GOSISDBHSA-N 371.546 4.935 0 40 FJAB CSc1ccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44839229 SBXNEJAITLQDSU-UHFFFAOYSA-N 373.481 4.882 0 40 FJAB O=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2F)o1 47073261 YGFZDMNCPNFOGM-UHFFFAOYSA-N 362.360 4.798 0 40 FJAB Cc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc23)cc1 49004665 MIWXDAYIWQQZKS-UHFFFAOYSA-N 360.461 4.616 0 40 FJAB CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCCC2 56898642 IPIPKPBINLUMGX-UHFFFAOYSA-N 371.502 4.765 0 40 FJAB CCOCCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 58134182 RUBFURJWISTPKR-UHFFFAOYSA-N 363.910 4.789 0 40 FJAB Cc1cc(Br)ccc1NC(=O)[C@@H](c1ccccc1)N1CCCC1 58379553 NROVVFPHWLRLOB-GOSISDBHSA-N 373.294 4.533 0 40 FJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C1C2CC3CC(C2)CC1C3 60106401 KDVQTSGVQVLHJY-UHFFFAOYSA-N 363.461 4.588 0 40 FJAB CCc1c(C(=O)N(C)c2ccc(C)cc2)cnn1-c1cccc(Cl)c1 60352236 BZNRRQGVXXMCCX-UHFFFAOYSA-N 353.853 4.673 0 40 FJAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72219316 RZHPWNUEVWFDHW-NRFANRHFSA-N 363.505 4.748 0 40 FJAB Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c(C)n1-c1cccnc1 95349502 UZPJSTCFXQBSKG-UHFFFAOYSA-N 373.412 4.501 0 40 FJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccccn2)c1 96122684 HDQFLPCOJJMBTB-UHFFFAOYSA-N 372.346 4.823 0 40 FJAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1ccc(C(C)(C)C)cc1 100137651 CUXWTNCPWRDJCZ-UHFFFAOYSA-N 360.461 4.651 0 40 FJAB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](c4ccccc4)C3)[C@H]2C(=O)N1c1cccc2ccccc12 100394322 OGHYAEQLPCICKY-SNVADZQDSA-N 367.448 4.769 0 40 FJAB CCc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cc(C)cc(C)c2)C(=S)N1 101170028 MBHQAUMFTMMZFO-GHTZIAJQSA-N 352.503 4.800 0 40 FJAB Fc1cccc(Cl)c1CN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 105767392 FMWRCYIUOICHLI-NVGCLXPQSA-N 352.906 4.507 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccccc2C)c1 223722834 PYRVSAFMEWDWNO-UHFFFAOYSA-N 371.546 4.855 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCCC2)cc1 224095272 GVFIZAVHURSWMN-UHFFFAOYSA-N 356.469 4.787 0 40 FJAB Cc1cccc(NC(=S)NCCCSCc2ccccc2Cl)n1 225608240 MVJRKLAXRZBGFA-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 225881854 COUCYIQUAKHYCL-UHFFFAOYSA-N 365.517 4.979 0 40 FJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)c(C)n1 225912384 ZIUOSOAJXJGDRY-UHFFFAOYSA-N 362.514 4.883 0 40 FJAB Clc1ccc(Cc2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 226300026 QXMWFXGLWZEWKI-UHFFFAOYSA-N 361.257 4.750 0 40 FJAB C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H]2CCCC[C@H]12 543918947 RFSJZRJBJUKMDZ-FSPWUOQZSA-N 358.482 4.529 0 40 FJAB COc1ccc2nc(S[C@@H](C)C(=O)c3cc(C)c(C)cc3C)[nH]c2c1 1643357464 NDVDYPVKCDOPKD-AWEZNQCLSA-N 354.475 4.860 0 40 FJAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 1453987 ZWRHJHMRFMXNLP-WIYYLYMNSA-N 362.454 4.999 0 40 FJAB Cc1nc(NC(C)(C)C)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2350252 UMPYKWPFZSSRDT-UHFFFAOYSA-N 356.495 4.610 0 40 FJAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C2CCCCC2)cc1 3662199 NJVCZGSVAIFBQA-MRXNPFEDSA-N 355.503 4.874 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1Oc1ccccc1 4276202 DNQWYXBIAKJHRH-UHFFFAOYSA-N 357.369 4.781 0 40 FJAB CCOC(=O)Cn1c(-c2ccc(CC)cc2)cs/c1=N\c1ccccc1 4523770 UBCCYZRXZOFIGV-DQRAZIAOSA-N 366.486 4.575 0 40 FJAB Cc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)[C@@H](C)S3)cc1 6234057 ROWANUVTKUFXQF-GFCCVEGCSA-N 354.866 4.654 0 40 FJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(N(C)C)c3)n2)c1 6237581 REOKNPLZRDCPPD-UHFFFAOYSA-N 351.475 4.745 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 6649340 GKYHFPWLVHVILS-OUKQBFOZSA-N 356.853 4.522 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Br)cc2)o1 6747388 OQUMEESATSVMFK-UHFFFAOYSA-N 374.234 4.786 0 40 FJAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1cccc2ccccc12 7108820 VCIYUYNKPWGHLW-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(-c3ccccc3)cc2)cc1 7224818 QXZMFUAUYYWRSI-INIZCTEOSA-N 358.441 4.995 0 40 FJAB CCOc1ccc(CC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 7614700 LWYQZTAWCXRFBT-UHFFFAOYSA-N 373.452 4.806 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2cccc(C)c2)c2cccs2)cc1 7739957 UHURTDFTDBZBLF-NRFANRHFSA-N 351.471 4.650 0 40 FJAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1c(Cl)cccc1Cl 7788406 IMNHVJVLHJTYHJ-UHFFFAOYSA-N 367.251 4.736 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1NC(=O)c1ccco1 8340679 ITCWRNUEDISKIY-APWZRJJASA-N 366.461 4.635 0 40 FJAB CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1cccc(Cl)c1 8583974 AHWSHOGGDGQMBO-UHFFFAOYSA-N 363.852 4.935 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccccc2F)o1 8751977 NXFMGSOEHUDVBA-UHFFFAOYSA-N 374.799 4.714 0 40 FJAB C[C@@H](SCc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 9614224 OZUHBHBYXGNLHZ-GFCCVEGCSA-N 371.399 4.783 0 40 FJAB Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1F 11428755 SYJXRLDYPJDVQK-UHFFFAOYSA-N 360.335 4.639 0 40 FJAB Clc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 12653879 ZQNKZRNEPDRBCP-UHFFFAOYSA-N 352.806 4.919 0 40 FJAB FC(F)(F)c1nnc2ccc(Oc3ccc4c(c3)[nH]c3ccccc34)nn12 14216729 ODSVTJGALBFYHP-UHFFFAOYSA-N 369.306 4.570 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(OCc2ccccc2)c1 15001588 LHYBAUMPPGJKJX-UHFFFAOYSA-N 357.331 4.935 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(NC(N)=O)c3)ccc21 15597557 JKEMPJWSTAWGSC-UHFFFAOYSA-N 372.428 4.557 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20137580 ZYEKCQHMLWZLHL-UHFFFAOYSA-N 355.821 4.907 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20141498 JUSLUFVUZQIHPC-UHFFFAOYSA-N 365.429 4.788 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSc1ccc(Cl)cc1 20460547 HEXZJLSQCTZZBE-KRWDZBQOSA-N 363.910 4.714 0 40 FJAB CC(=O)c1c(C)cc(C)c(CNc2ccc(C(=O)NC(C)(C)C)cc2)c1C 24259248 QXIVXRGCNWYTMG-UHFFFAOYSA-N 366.505 4.955 0 40 FJAB CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(C(F)(F)F)c1 25988450 JSWXERLDRHGSJA-UHFFFAOYSA-N 362.804 4.762 0 40 FJAB O=C(CCN1CCOCC1)c1cc(-c2ccccc2)oc1-c1ccccc1 31391751 IFJMDHBYRDCUOY-UHFFFAOYSA-N 361.441 4.519 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 31714970 KVNJNCOSHGFJNG-WDEREUQCSA-N 370.301 4.968 0 40 FJAB C[C@H]1CN(C(=O)/C(=C\c2ccccc2)c2ccc(Cl)cc2)C[C@@H](C)O1 32975490 WQYFXZAVWSDGBK-PAXPMQMASA-N 355.865 4.516 0 40 FJAB C/C1=C/CC/C(C)=C/[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 34203334 XUVXBQLHPFQADG-OIAMNROFSA-N 358.478 4.627 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 36559440 ZOPKYNYQCTXPAR-UHFFFAOYSA-N 355.478 4.601 0 40 FJAB O=C(CNc1ccc(SC(F)F)cc1)N1CCC[C@H]1c1cccs1 39978269 GUYHJTAOLGZNNY-AWEZNQCLSA-N 368.474 4.838 0 40 FJAB COc1ccc(Cl)cc1NCCC(=O)N[C@H](C)c1cccc(Cl)c1 48324555 VQQLLMSBGFCOIY-GFCCVEGCSA-N 367.276 4.681 0 40 FJAB O=C(c1ccc(-c2ccccc2F)s1)N1CCCC[C@@H]1c1ncc[nH]1 58167980 HEESYBZIRUUQSL-OAHLLOKOSA-N 355.438 4.645 0 40 FJAB Cc1occc1C(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@@H](C)C2 58504489 CKEHHDXWUORULX-LLVKDONJSA-N 369.442 4.851 0 40 FJAB CC(C)(C(=O)Nc1ccc(SC2CCCC2)cc1)n1cc(Cl)cn1 60348430 DAPYTZJJFWBNJA-UHFFFAOYSA-N 363.914 4.945 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)ccc1Cl 64982281 KMKOVBLRXRPFKH-LLVKDONJSA-N 368.658 4.817 0 40 FJAB CN(c1ccccc1)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72214266 WVHOKNPKCRIKRJ-OAQYLSRUSA-N 357.457 4.827 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72353929 UVOPYNNKQFOVQN-QFIPXVFZSA-N 362.517 4.877 0 40 FJAB CC(C)(C)[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(F)(F)F 75104794 JOMAWPBXLQEEOA-ZDUSSCGKSA-N 357.401 4.909 0 40 FJAB O=C(c1ccc(F)cc1Cl)N(CCc1cccs1)Cc1cccnc1 77183785 LLGBVONBHIJWEJ-UHFFFAOYSA-N 374.868 4.821 0 40 FJAB COc1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)on1 90609972 MECOKMUQPNQODF-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1cccc(Cl)c1 219451096 PPWOUBQTSUPMHA-UHFFFAOYSA-N 364.832 4.872 0 40 FJAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccc(C)c(C)c1 224623593 FMYNITFSKHBKIO-UHFFFAOYSA-N 355.478 4.763 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225257314 IHHJVBRYJLRVFA-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1Cl 225662609 ZHOPONOSYIIQMA-UHFFFAOYSA-N 363.910 4.710 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(C)c1 225768480 XAOATZPXIMVIGK-PKOBYXMFSA-N 355.478 4.655 0 40 FJAB CC1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2Cl)CC1 408629282 UXHQJWQYJLZLEZ-UHFFFAOYSA-N 364.276 4.877 0 40 FJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)c1 409000261 YBNPCTAUBXUANV-WWNPGLIZSA-N 371.436 4.864 0 40 FJAB COC(=O)c1cn(CCCOc2ccc(Cl)c(C)c2)c2ccccc12 409206848 MHIYPJIKZKWZQF-UHFFFAOYSA-N 357.837 4.859 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)Cc1c(F)cccc1Cl 575619978 HFFIKKHJIHXFNZ-LBPRGKRZSA-N 361.869 4.984 0 40 FJAB Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc21 1445774 WYSGJNWOJQNMBG-UHFFFAOYSA-N 356.838 4.569 0 40 FJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1c(Cl)cccc1Cl 1735612 URYHRBXPNGXPID-RIYZIHGNSA-N 352.604 4.991 0 40 FJAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)OCCO4)c2cc1C(C)C 3297619 HVMZJHHXZUKFDA-UHFFFAOYSA-N 365.429 4.817 0 40 FJAB O=C(c1cccs1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120488 MSWPVIIJROBWJC-UHFFFAOYSA-N 370.421 4.512 0 40 FJAB COc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1ccc(C)cc1)=N2 4168666 YGOQNBBKHJACOF-UHFFFAOYSA-N 359.404 4.577 0 40 FJAB CC1(C)[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@]1(C)C(=O)O 4474063 XHROHRKPVNEWHD-PGRDOPGGSA-N 367.445 4.945 0 40 FJAB COc1cc2nc(Nc3nc4c(C)cccc4s3)sc2cc1OC 5122738 UVOXWARLUVSKQB-UHFFFAOYSA-N 357.460 4.975 0 40 FJAB CCN1C/C(=C\c2cccc(C)c2)c2nc3ccccc3c(C(=O)O)c2C1 6047184 DVZHBPQQXUJZQF-SFQUDFHCSA-N 358.441 4.618 0 40 FJAB CCOc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1 6270994 RITZGMGXSVULMC-UHFFFAOYSA-N 368.792 4.879 0 40 FJAB c1cncc(-c2nc(NCCSCc3ccco3)c3ccccc3n2)c1 7698982 PYUSKCPMPFLLCL-UHFFFAOYSA-N 362.458 4.630 0 40 FJAB C/C=C/C=C/C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12821444 DSPTYEOSTBTZFX-MQQKCMAXSA-N 352.381 4.824 0 40 FJAB CCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 12905870 WZPWLZGDIBFKDA-GOSISDBHSA-N 365.477 4.522 0 40 FJAB O=C(Nc1ccccc1Br)c1ccc(Br)cc1F 12980261 HWUPVHAHWWVTLE-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB CCCC[C@@H](CC)CNC(=S)N1CC=C(c2c[nH]c3ncccc23)CC1 24771791 CYPMDDGDLPLXCY-MRXNPFEDSA-N 370.566 4.743 0 40 FJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)c1ccc(O)cc1 28618163 NMGLPSVAUGTGMY-UHFFFAOYSA-N 362.410 4.570 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCC(C(F)(F)F)CC1 29613405 ZQDLBLVAGHBWGT-UHFFFAOYSA-N 363.807 4.735 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(C(F)(F)F)cc1 32817569 HJKYNLCSLPIZHV-UHFFFAOYSA-N 359.307 4.540 0 40 FJAB CCCN(CC(=O)Nc1ccccc1C)Cc1cc(F)cc2cccnc12 32825182 NZYLJBMDVTWDHI-UHFFFAOYSA-N 365.452 4.533 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 58787830 GRAUFYBVQCOCFS-UHFFFAOYSA-N 372.468 4.673 0 40 FJAB CCC[C@]1(C)CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 72303841 QHIJDMIZPIDBIM-HXUWFJFHSA-N 363.929 4.817 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/SCc2ccco2)c1 79060574 KYXHWVHPJXTJQV-VQHVLOKHSA-N 364.854 4.667 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCCCCC2)nc1 84077282 UVIXUEIJWOTPNL-UHFFFAOYSA-N 373.884 4.685 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCC(CSCc2ccco2)CC1 85472448 AEXUSGCVZPNNCG-UHFFFAOYSA-N 355.459 4.811 0 40 FJAB CCCCCCOc1c(Br)cc(CO)cc1Br 218003777 NYOMEZQMNNXPOW-UHFFFAOYSA-N 366.093 4.663 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222987085 JRRSAZFJIICEMB-VQTJNVASSA-N 368.550 4.771 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2cccc(C)c2C)c1 223966164 BGZSQFYIIJGWSV-IBGZPJMESA-N 369.505 4.698 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1 224439622 ODDUTGZFYQSMOM-INIZCTEOSA-N 352.261 4.510 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COCC(C)C)c2)cc1 224738590 KXYRZXOYMDOKHB-UHFFFAOYSA-N 371.477 4.909 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882951 NJCFYTBNBJETCA-MRXNPFEDSA-N 367.367 4.998 0 40 FJAB CCOC(=O)c1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1Cl 225464733 RAAORPMGCIRKHX-UHFFFAOYSA-N 369.273 4.979 0 40 FJAB O=C(CCc1ccccc1F)Nc1ccc(Br)c(Cl)c1 225558323 IZEQSKGIHXQPCC-UHFFFAOYSA-N 356.622 4.813 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1C 225715414 RZVCRPLBCCVXMZ-SFHVURJKSA-N 370.518 4.836 0 40 FJAB S=C(NCCCc1ccco1)Nc1ccc(Br)c(Cl)c1 225805053 LMTJETCSQZPCBV-UHFFFAOYSA-N 373.703 4.615 0 40 FJAB CCCCOc1ncc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C 225911618 HFNDPQMLGJTECF-KKSFZXQISA-N 362.514 4.883 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 226267374 ZWEBPYVMJCTXND-INIZCTEOSA-N 367.493 4.687 0 40 FJAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1 253398075 GLOQOWHSMRSGLK-OLZOCXBDSA-N 370.836 4.539 0 40 FJAB biogenic,in-vitro O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1Cc3ccccc3[C@H]21 408995015 KQUAONGFGFTUGA-NJDAHSKKSA-N 359.400 4.995 0 40 FJAB Cc1ccc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)c(Cl)c1 409197450 FQVMMKIOXZYEIY-XDOYNYLZSA-N 368.889 4.555 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccc(Nc4ncccn4)cc3)c(C)c2c1 565813316 MIDZIZYEHBHIDE-UHFFFAOYSA-N 374.400 4.536 0 40 FJAB Cc1cccc([C@H]2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)C2)c1 1138179211 KJRJSGKARDUAPW-FQEVSTJZSA-N 359.473 4.632 0 40 FJAB COc1ccccc1OC(=O)COc1cc(Cl)c(Cl)cc1Cl 682566 JWJWFGZULDNEAH-UHFFFAOYSA-N 361.608 4.640 0 40 FJAB Cc1ccc(-c2csc3ncnc(N4C[C@H](C)O[C@@H](C)C4)c23)cc1C 1104215 ODMTYSQVXGKFMD-GJZGRUSLSA-N 353.491 4.589 0 40 FJAB Cc1ccc(S(=O)(=O)N(c2cc(C)ccc2C)c2ccccc2N)cc1 1680474 SRDSBSVQNPBJAT-UHFFFAOYSA-N 366.486 4.721 0 40 FJAB CCC(c1ccc(C(=O)C(F)(F)F)o1)c1ccc(C(=O)C(F)(F)F)o1 2300484 TWCHKBXVSUKAJE-UHFFFAOYSA-N 368.229 4.905 0 40 FJAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 3235857 RORRLKMSKVYHLJ-CQSZACIVSA-N 366.244 4.669 0 40 FJAB COc1ccc(CNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 3423557 AVNCKZPFMBWGBO-UHFFFAOYSA-N 370.452 4.633 0 40 FJAB COc1cc(C)c(COC(=O)c2cc(Cl)cc(Cl)c2)cc1OC 3440854 BPIMQYQXZPIGIS-UHFFFAOYSA-N 355.217 4.676 0 40 FJAB C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1 5210361 LAFSAINANIHXDS-GOSISDBHSA-N 369.468 4.505 0 40 FJAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(Br)cc1 5627327 WADNSBXNTYLHEQ-UHFFFAOYSA-N 373.275 4.728 0 40 FJAB COc1ccc(-c2csc(NC(=O)CSc3ccccc3F)n2)cc1 6402164 YUMDLUCSWKOMTN-UHFFFAOYSA-N 374.462 4.689 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OCC 6778573 ZRMVIUKKQOIRGH-UHFFFAOYSA-N 357.450 4.915 0 40 FJAB Cc1ccc(-c2noc(CNC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 7721207 GUHOVDBDHUIICS-UHFFFAOYSA-N 369.424 4.642 0 40 FJAB COCc1ccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 7989283 KIQKNVHCVNXHDF-UHFFFAOYSA-N 371.440 4.708 0 40 FJAB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1 8277318 CPNNLMCGQSBYAE-PTNGSMBKSA-N 374.352 4.926 0 40 FJAB Cc1ccc2cc(CN(C(=O)c3ccccc3)c3ccccc3)c(=O)[nH]c2c1 9076289 CXMRJFVXEBZGNV-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12039542 GXKWMWXMAXOIAP-FYYLOGMGSA-N 356.425 4.938 0 40 FJAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCC2)ccc1C(C)C 12528636 RICQRUWDCOUISW-UHFFFAOYSA-N 352.478 4.736 0 40 FJAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)c1 12538090 RGDXFJLMELDBMR-MDZDMXLPSA-N 350.805 4.743 0 40 FJAB COc1cccc(-c2nc(C(=O)Nc3cc(C)cc(C)c3)cs2)c1OC 12823271 GKTJJJGDFWBZKK-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)c(Cl)c3)nc2c1 12951161 VICKQIAKEPXZGS-UHFFFAOYSA-N 371.245 4.672 0 40 FJAB O=C(O)C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 13224950 WZZUQVVYGQRLFQ-HXUWFJFHSA-N 351.446 4.680 0 40 FJAB Cc1ccc2cc(CN(C(=O)C(C)C)c3cccc(C)c3C)c(=O)[nH]c2c1 13748623 RJOKNNKETYDCJK-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB CCC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 14857282 LAIQFCUTRMQKHX-HNNXBMFYSA-N 353.491 4.578 0 40 FJAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 15963712 ZVNSVGWQWFPEFX-NRFANRHFSA-N 374.440 4.685 0 40 FJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SCc1ccco1 18183906 KANDFQFEUAGVEK-UHFFFAOYSA-N 353.399 4.553 0 40 FJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCc1ccccc1 31423541 HYTHMTCBRABBRC-UHFFFAOYSA-N 372.877 4.545 0 40 FJAB CCN(CC)[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 31992650 QLRBJDHXOYWLGK-IBGZPJMESA-N 368.502 4.821 0 40 FJAB COc1ccccc1CNC(=O)CSc1cc(C(C)(C)C)ccc1C 32954351 WUEPTLPOTFSEHD-UHFFFAOYSA-N 357.519 4.710 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 38754787 PFNGFQGMHWBLMI-INIZCTEOSA-N 354.233 4.798 0 40 FJAB Cc1nc2ccccc2nc1COC(=O)/C=C/c1cccc(C(F)(F)F)c1 39585758 MGTSYVFITTZZCJ-MDZDMXLPSA-N 372.346 4.714 0 40 FJAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1Cl 42090764 IFOFYXYTLVZSJF-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1cc(NC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)no1 48373907 UFMVJYUZPYEJGY-IBGZPJMESA-N 367.474 4.834 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 58532961 OAWOATRDZLDNDV-KGIOUCCPSA-N 362.554 4.769 0 40 FJAB Cn1ccc2ccc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc21 70666465 RRVXAUDBFAWXCA-UHFFFAOYSA-N 363.848 4.512 0 40 FJAB biogenic Cc1cc2c(cc1C)[C@@H](N(Cc1nnc(C(C)C)o1)C1CC1)CCCO2 72309434 JOUOFEMHCFAGNJ-SFHVURJKSA-N 355.482 4.688 0 40 FJAB Cc1cccc(Nc2nnc(S[C@@H](C)OC(=O)OC(C)C)s2)c1 75093665 WBACBZZJQGXRBO-NSHDSACASA-N 353.469 4.590 0 40 FJAB Cc1sc2nc(-c3ccc(O)c(Cl)c3)[nH]c(=O)c2c1-c1ccccc1 84026879 FOINARQLUZLKPE-UHFFFAOYSA-N 368.845 4.986 0 40 FJAB COc1ccc2cc(NC(=O)c3nc(Cl)sc3C(C)C)cnc2c1 95477151 PSGQWQUEFRUMBA-UHFFFAOYSA-N 361.854 4.729 0 40 FJAB COC1CCN(c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)CC1 96104476 GUZNESMBVHJCCO-UHFFFAOYSA-N 372.896 4.527 0 40 FJAB O=C1Oc2ccccc2/C1=C/c1cc2ccccc2nc1N1CCCCC1 96891524 KLWXSFMUPVGQIX-CYVLTUHYSA-N 356.425 4.685 0 40 FJAB Cc1ccccc1[C@H]1CC2=Nc3ncnn3[C@@H](c3ccccc3)C2=C(O)C1 102676612 DOHOEAWCTMJOFP-KKSFZXQISA-N 356.429 4.652 0 40 FJAB CC(C)Sc1ccccc1C(=O)NCCSCc1ccccc1F 104878596 ADHDFLIPJSGYNP-UHFFFAOYSA-N 363.523 4.989 0 40 FJAB Cn1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 214330764 MKXJIYAQMGVASM-VCHYOVAHSA-N 366.417 4.554 0 40 FJAB CC(C)n1cccc1CN(C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222558289 QKSBWXMRBOQNIZ-UHFFFAOYSA-N 372.900 4.925 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224294918 LLUAAOPHOKQAGD-QGZVFWFLSA-N 355.478 4.809 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 224621209 HLBUWZYYOXZXSB-QGZVFWFLSA-N 352.261 4.510 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSC1CCCC1 225157479 BOVAEUKUYYPNDE-HXUWFJFHSA-N 357.519 4.789 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)C1 225474775 WNWDGTRCUQUDKH-LJQANCHMSA-N 364.533 4.670 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(C)cc1 408561790 LIXBGHPKWDXJII-LNVKXUELSA-N 368.477 4.988 0 40 FJAB CCn1c2c(s/c1=N\C(=O)c1cccc(Cl)c1)CCc1ccccc1-2 408562458 PRYCPFOGCHENDH-XDOYNYLZSA-N 368.889 4.730 0 40 FJAB S=C(NCc1ccco1)c1ccc(OCc2ccc(Cl)cc2)cc1 408577194 RUFRDVLPSBNLEC-UHFFFAOYSA-N 357.862 4.977 0 40 FJAB COc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1C 408810330 PGOZLWIDRQJLQC-UHFFFAOYSA-N 373.885 4.728 0 40 FJAB O=C(c1cc(O)nc2ccccc12)N1CCCC[C@@H]1c1ccc(F)cc1F 622451653 NYHQFIAGHCSZOE-LJQANCHMSA-N 368.383 4.586 0 40 FJAB C[C@@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc2n(n1)CCCC2 647298281 UDPLJMJLFIPHNF-MRXNPFEDSA-N 361.493 4.592 0 40 FJAB COC1(CNc2nc(-c3ccccn3)nc3sccc23)CCC(C)CC1 1186351677 SASGZVAEKGKIQO-UHFFFAOYSA-N 368.506 4.761 0 40 FJAB Cc1[nH]c2ccc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)cc2c1C 1566301989 HDNVWYAOXBAMIY-UHFFFAOYSA-N 366.371 4.705 0 40 FJAB Cc1ccc(NC(=O)c2c(NC(=O)C(C)C)sc3c2CCCC3)cc1 835707 NZOQVOXIWTVPMN-UHFFFAOYSA-N 356.491 4.782 0 40 FJAB COc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C)cc2c1 881231 PEGHACJCGNNYRP-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB CCOc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)O)cc1 979615 OUSWWJXFQKYSDJ-UHFFFAOYSA-N 368.458 4.888 0 40 FJAB O=C(CSc1ccc2ccccc2n1)Nc1ccccc1C(F)(F)F 1094864 GPTCUWPTKJAEJI-UHFFFAOYSA-N 362.376 4.984 0 40 FJAB CCc1nc2sc3c(NCC(C)C)ncnc3c2c2c1COC(C)(C)C2 2272541 YHOGOPXVEIMYKN-UHFFFAOYSA-N 370.522 4.721 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccco2)s1 2328871 NIVDGCLBCMPOIT-UHFFFAOYSA-N 355.206 4.749 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2OC)c2cc3ccc(C)cc3nc21 2410354 HGXGZINQFNJDCM-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB Cc1ccc(C)c(NC(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)nc2)c1 2779392 USBAEUOBBARVJV-UHFFFAOYSA-N 373.456 4.820 0 40 FJAB CC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 3221720 HWBPLYVFDLRPJK-UHFFFAOYSA-N 357.460 4.755 0 40 FJAB COc1cc(SC)ccc1C(=O)OCc1cccc(C(F)(F)F)c1 3342220 KVOXDBZXPFYMCW-UHFFFAOYSA-N 356.365 4.793 0 40 FJAB CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1 3431451 XPIRYWYPEFJERJ-INIZCTEOSA-N 369.461 4.612 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)CSC3)cc1 4088695 HKZXNPFWNDRJSR-UHFFFAOYSA-N 355.507 4.836 0 40 FJAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccccc1 4836792 BYHKIHONBYDIHX-ZHZULCJRSA-N 373.383 4.749 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccccc1 4854165 AVDRRUIRNKJKTN-IBGZPJMESA-N 351.837 4.779 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)c1 5434613 SQOGCVHRRDHLCM-UHFFFAOYSA-N 367.474 4.899 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 5443822 NXTXHENIMIBYMV-LRYXAPPNSA-N 364.489 4.985 0 40 FJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C 6051438 NPQRXBZGYMVIOE-ZDUSSCGKSA-N 352.261 4.866 0 40 FJAB COc1ccc(NC(=S)SCC(=O)c2ccc(Cl)cc2)cc1 6389060 ORRQURQXNZLEBF-UHFFFAOYSA-N 351.880 4.662 0 40 FJAB O=C(c1cccnc1-c1nc2ccccc2s1)N1CCCc2ccccc21 6701348 VFZLGZXTULAJFC-UHFFFAOYSA-N 371.465 4.951 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccc(F)cc1 6881535 IAWMLZGCWFBHJP-UHFFFAOYSA-N 363.388 4.860 0 40 FJAB CNC(=O)c1ccc(Nc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 7271302 TTYDIBHPUDWPQY-UHFFFAOYSA-N 374.469 4.770 0 40 FJAB O=C(Oc1ccc(-c2nnco2)cc1)c1sc2ccccc2c1Cl 7779865 ZWFUKXGCXNFFHQ-UHFFFAOYSA-N 356.790 4.824 0 40 FJAB OCCn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21 7890993 JYYUUFRWIRRSNG-UHFFFAOYSA-N 371.651 4.568 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1 8023874 DYVDQEAIUSQUSK-PXNSSMCTSA-N 356.466 4.884 0 40 FJAB Cc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 8587554 LDQDMDAMLGXWTF-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(C)cc2)s1 8715577 SENIZMAAROPFML-UHFFFAOYSA-N 366.442 4.918 0 40 FJAB CCCSC1=NN=C2C(=N[C@H](c3ccc(F)cc3)Nc3ccccc32)O1 8782839 WBLZWGPLLMHIJQ-QGZVFWFLSA-N 368.437 4.582 0 40 FJAB CCOc1ccc(Nc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 9060936 ZBDCNLPQJJICKH-UHFFFAOYSA-N 365.824 4.587 0 40 FJAB Cc1ccn2cc(-c3ccc(NC(=O)CCc4ccsc4)cc3)nc2c1 9219904 OJECOERSIZJYOW-UHFFFAOYSA-N 361.470 4.943 0 40 FJAB O=C(Cc1ccccc1)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 9423181 FAJVEBQKADKIHF-UHFFFAOYSA-N 363.804 4.724 0 40 FJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H](C(F)(F)F)C4)cc3c2C1 10285233 IIJWBSVNEMEXOM-TZMCWYRMSA-N 364.411 4.707 0 40 FJAB C[C@]12CC[C@H]3[C@H](CC[C@H]4C/C(=N/O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 12859265 WSWBLRYWYTUKKN-TWFBZGDUSA-N 367.489 4.799 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)c(C)c1 12910874 OCZDNZIVXDIPFC-UHFFFAOYSA-N 353.447 4.539 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13678085 BEXQOQRIRGHSNM-UHFFFAOYSA-N 358.290 4.806 0 40 FJAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)cc1NC(=O)c1ccco1 14251863 WYYZCWDSBMKATB-MRXNPFEDSA-N 362.429 4.674 0 40 FJAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 14576993 BERYNSJXOIZEKI-XMMPIXPASA-N 359.469 4.842 0 40 FJAB Cc1ccc(NC(=O)Cn2c(C)cc3ccccc32)c(Br)c1 15584526 ZPPBIWDBJVYQGB-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB O=c1c(Cl)c(Nc2ccccc2F)cnn1C12CC3CC(CC(C3)C1)C2 16450489 FCCSWOIZNXQVJC-UHFFFAOYSA-N 373.859 4.705 0 40 FJAB C/C(=C\c1ccccc1)CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 19014335 AQKGRTSCYROUEQ-YDILYMIDSA-N 351.465 4.744 0 40 FJAB Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cn(C)nc3C)c(-c3ccccc3)c2c1 19660188 PBCHYAMTLBHKFY-OAHLLOKOSA-N 372.472 4.676 0 40 FJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3Cc3cnn(C)c3C)c2)c1 19690926 QWDCITLXTJCYGZ-DEOSSOPVSA-N 374.532 4.668 0 40 FJAB CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2C(C)(C)C)c1 20863331 GJZVPSWBLYCZBS-UHFFFAOYSA-N 370.449 4.570 0 40 FJAB Cn1c(SCc2sc3ccccc3c2Cl)nnc1C(F)(F)F 24979135 NLOSZKLAFWVOHK-UHFFFAOYSA-N 363.817 4.994 0 40 FJAB COc1ccc(-c2cn3nc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1 28114265 VANMKINBSJNZCZ-UHFFFAOYSA-N 373.456 4.823 0 40 FJAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C 38833585 VYSOUZUDKWQTDK-GOSISDBHSA-N 356.897 4.808 0 40 FJAB COc1cccc(SCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 40141157 ZBSGLRSJHJZVCF-GFCCVEGCSA-N 369.408 4.684 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCc2c(F)cc(F)cc21 41866085 ZQDUSZFOQLHOKS-UHFFFAOYSA-N 354.356 4.521 0 40 FJAB CC(=O)NCc1ccc(-c2csc(Cc3cccc(Cl)c3)n2)s1 46814825 GWOALLQORZBAAV-UHFFFAOYSA-N 362.907 4.752 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 58380425 BTGDVQJKCNSIBG-UHFFFAOYSA-N 355.482 4.771 0 40 FJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccccc2Br)S1 71286805 WQAZINDHKAQKSG-CYBMUJFWSA-N 366.284 4.818 0 40 FJAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@@H]1CCCc2ccccc21 71942824 AAOMFICPNZABGF-LJQANCHMSA-N 371.431 4.764 0 40 FJAB CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215328 ZJEUZEFGBGBXOD-SFHVURJKSA-N 359.514 4.923 0 40 FJAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72219248 WKXAFQKOWPQAFD-SFHVURJKSA-N 359.514 4.842 0 40 FJAB CC(C)CN1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1 89840175 DKLKUMQITKCFLO-UHFFFAOYSA-N 351.416 4.786 0 40 FJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccccc1F 102720138 PSWJBFRBICVXPM-UHFFFAOYSA-N 351.406 4.716 0 40 FJAB C[C@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 103251687 GNGMYUPULPXERU-LPMPVVGESA-N 366.480 4.920 0 40 FJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 113970372 BVHKRKCDCYHFIR-LJQANCHMSA-N 361.869 4.521 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CCS[C@H](c2cccs2)CC1 219480638 AWXZQQMINPXARL-AWEZNQCLSA-N 355.887 4.861 0 40 FJAB Cc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 222641322 PDFJMFBWBTVVHB-UHFFFAOYSA-N 357.866 4.657 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221172 JDXZTYRFYNPTFU-DYESRHJHSA-N 351.490 4.827 0 40 FJAB Cc1ccc(SCCC(=O)NCCOc2cccc3ccccc23)cc1 223510519 ILQMOMSZNGMTQF-UHFFFAOYSA-N 365.498 4.826 0 40 FJAB Cc1ccccc1CSCC(=O)Nc1ccc(OC(F)(F)F)cc1 224855094 VDNWWHNLZSSZAU-UHFFFAOYSA-N 355.381 4.766 0 40 FJAB Cc1cccc(CSCCNC(=S)Nc2ccc(Cl)cc2)c1 225336512 KJDXZHRIJVOZCU-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCc1ccc(CC)c(CNC(=O)CSCc2cc(C)cc(C)c2)c1 225778670 GUZNRCDFBAGIIV-UHFFFAOYSA-N 355.547 4.978 0 40 FJAB Cc1cc(C)n([C@H](CNC(=O)Nc2ccccc2Cl)c2cccs2)n1 585368658 FQSMHAKTNBBBQY-MRXNPFEDSA-N 374.897 4.626 0 40 FJAB CCCc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1 647409233 RPLGDKFWTVCCHB-HXUWFJFHSA-N 365.473 4.745 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1Cl 635364 YIFKVQREBRTGFQ-OBMJPTGESA-N 367.876 4.831 0 40 FJAB CC(=O)N1c2ccc3ccccc3c2S(=O)(=O)c2ccc3ccccc3c21 1684075 HMZGPLZRACMDAI-UHFFFAOYSA-N 373.433 4.824 0 40 FJAB CCCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2095245 WGQKDSSLOYUTDX-UHFFFAOYSA-N 369.461 4.703 0 40 FJAB biogenic CCCCNc1ncnc2c1sc1nc(CC)c3c(c12)CC(C)(C)OC3 2275456 RMAIIKWHUUOGCW-UHFFFAOYSA-N 370.522 4.865 0 40 FJAB O=C(CCc1nc2ccccc2s1)OCc1nc2ccccc2s1 3361625 DZIKCLFZDBJEMP-UHFFFAOYSA-N 354.456 4.582 0 40 FJAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc(Oc2ccccc2)c1 3372056 LQDFXOHFMFKOAZ-CCEZHUSRSA-N 373.408 4.674 0 40 FJAB Cc1cccc(-c2noc(CN(C(=O)CCC3CCCC3)C(C)C)n2)c1 3388097 AZURESQNEVWWMO-UHFFFAOYSA-N 355.482 4.752 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 4881028 KZBYQORWLXTYAZ-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB CC1(C)CN(Cc2ccccc2)[C@@H]2O[C@H]1N(Cc1ccccc1)CC2(C)C 5431083 GQSOREWAUAURHY-FGZHOGPDSA-N 364.533 4.739 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)cc1 5862844 JEEYZRRXKMAJDA-UHFFFAOYSA-N 363.442 4.810 0 40 FJAB Cc1cc(NC(=O)C(C)(C)C)ccc1NC(=O)c1cc2ccccc2o1 5960465 KEYMGKZSAXBPHJ-UHFFFAOYSA-N 350.418 4.978 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 6638387 MXAPVOPYAPHUQB-UHFFFAOYSA-N 352.365 4.540 0 40 FJAB C[C@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 6859427 YDVGBLILESFJHW-SJCJKPOMSA-N 363.288 4.988 0 40 FJAB CCc1ccc2c(CNc3ccc(N4CCCCC4)cc3)cc(=O)oc2c1 7003079 HOSGOKKBBZFHIG-UHFFFAOYSA-N 362.473 4.958 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccccc1Cl 7191785 LQVHKEGPXKKXRN-GFCCVEGCSA-N 360.866 4.548 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cs1 7918713 HGALQTIQINKBDT-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C 8105636 HGIAMIAXBIXAAE-QGZVFWFLSA-N 350.487 4.933 0 40 FJAB CSc1ccc(Cl)c(C(=O)N(C)Cc2nc3ccccc3s2)c1 10286643 GVUBCIMBKQKDHL-UHFFFAOYSA-N 362.907 4.944 0 40 FJAB COc1ccc(CN2CCC[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 12187997 OONUAPAENURZJM-IBGZPJMESA-N 362.473 4.632 0 40 FJAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCc2sccc2C1 12215864 LMGZVCJMJMPWQE-UHFFFAOYSA-N 371.465 4.557 0 40 FJAB CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cnc21 12866280 MFAVOTJVZXMMPK-UHFFFAOYSA-N 364.493 4.582 0 40 FJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 14705703 MXYMYNHYNQNJLC-UHFFFAOYSA-N 374.465 4.687 0 40 FJAB COc1ccc(Cc2c(Cl)nc(SC)nc2NC(C)(C)C)cc1 15584370 UISOIDXZGFWQPY-UHFFFAOYSA-N 351.903 4.662 0 40 FJAB CCN(C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1 16740418 QFLRGSJLQGHANN-UHFFFAOYSA-N 353.425 4.964 0 40 FJAB CCc1nnc(SCc2csc(-c3ccccc3Cl)n2)n1CC 17075010 JFYNXKXXAPJFPA-UHFFFAOYSA-N 364.927 4.930 0 40 FJAB O=C(Nc1ccncc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 17585225 POBYBFNQXFSYES-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB S=C(NCCSc1ccc(Cl)cc1)Nc1cccc2cnccc12 18138207 SQXUPKOADNNXOQ-UHFFFAOYSA-N 373.934 4.967 0 40 FJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1Cl 20138604 GAPPORXHHPWVCI-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1Cl 20495904 OYKOUZYVLROMCQ-HNNXBMFYSA-N 372.896 4.833 0 40 FJAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(COCC(F)(F)F)cc1 22192940 WSKMVKSLGMMGJR-GOSISDBHSA-N 363.379 4.647 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 26315612 FMCXMHNYQPNELV-KGLIPLIRSA-N 373.884 4.762 0 40 FJAB Cc1cc(C(=O)N2CCCSc3ccccc32)c2ccc(F)cc2n1 31884219 BUJUBUSDNZCPKR-UHFFFAOYSA-N 352.434 4.825 0 40 FJAB C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc2ccccc12 32765298 HNWRXNGLVVDTDM-MRXNPFEDSA-N 368.440 4.864 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 39768870 BERKZQOZCYKIOD-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cc3ccccc3[nH]2)cc1 58903358 AHUIROBLBBTTPN-UHFFFAOYSA-N 368.436 4.637 0 40 FJAB FC(F)Oc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 60479199 MKRZCUZKCANMPL-QGZVFWFLSA-N 353.796 4.515 0 40 FJAB CC(C)[C@H](Sc1nc2ccccc2o1)C(=O)N1CCc2ccccc21 71795912 ZHWRBIXAAVZBQQ-SFHVURJKSA-N 352.459 4.534 0 40 FJAB C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 89905152 CUGVIBJJOJYWDL-ABAIWWIYSA-N 367.312 4.608 0 40 FJAB CC(C)[C@@H](CSC(F)(F)F)NCc1ccc(Br)cc1 95918392 ZSAWZGVRBFMVOC-GFCCVEGCSA-N 356.251 4.816 0 40 FJAB CCOc1ccccc1C[C@@H]1C(=O)N(CC)c2ccc(Br)cc21 101014585 VSYPEIGYSBFMGN-INIZCTEOSA-N 374.278 4.541 0 40 FJAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(F)cc1F 113932789 CKQJEXXANZYICF-UHFFFAOYSA-N 372.234 4.599 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 219533781 OSGOWRRWKFHEJC-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1Cl)CC(C)(C)O2 220019291 COZDXZXLQXNPOF-GOSISDBHSA-N 373.880 4.700 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 222955004 WEFJKUTWRKTCSZ-PMACEKPBSA-N 368.550 4.607 0 40 FJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224419808 TVMICRDFVJONST-SJORKVTESA-N 369.490 4.768 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccc(C)c(C)c1 224617540 BQBRIWFBFZJPAH-KRWDZBQOSA-N 355.478 4.809 0 40 FJAB Fc1ccc(CSCCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225615619 YVWOEJKASKGVPL-UHFFFAOYSA-N 370.465 4.714 0 40 FJAB O=C(NCc1cncc(-c2cccs2)c1)c1ccccc1Br 225666399 ISKAEBGJLYSAJA-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1F)N2 408994499 HVAZXJPBUOWOOM-COPCDDAFSA-N 359.400 4.995 0 40 FJAB CCc1nc2cc(NC(=O)Nc3ccc([C@H]4CCOC4)cc3)ccc2o1 562850178 WIJXCXSQFXJCPL-AWEZNQCLSA-N 351.406 4.538 0 40 FJAB CCc1csc([C@@H]2CCCN(Cc3ccc4oc(C(=O)O)cc4c3)C2)n1 563280113 KHCYPFJSPZJNLG-CQSZACIVSA-N 370.474 4.530 0 40 FJAB Cc1oc(C(C)C)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 585081963 JWXABCJPAGJBRQ-UHFFFAOYSA-N 359.441 4.672 0 40 FJAB CC(=O)Nc1c(C)ccc(NCc2ccc3ccc(F)c(F)c3n2)c1C 1650728339 SGNVVQWVSYFUJR-UHFFFAOYSA-N 355.388 4.700 0 40 FJAB CC(C)CC[C@@]1(CCNCc2ccc3c(c2)OCO3)CCOC(C)(C)C1 2110809 HAJXKEQGBKSSCO-JOCHJYFZSA-N 361.526 4.907 0 40 FJAB biogenic CCOC(=O)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 2167837 GDUHRWRYUHAHMW-UHFFFAOYSA-N 368.380 4.691 0 40 FJAB COc1ccccc1C(=O)CSc1ncnc2sc3c(c12)CCCC3 2367621 YCAVFUWLVRBWGD-UHFFFAOYSA-N 370.499 4.554 0 40 FJAB COC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 3149678 HBNIMRORZKYPCY-UHFFFAOYSA-N 371.245 4.839 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)C2CCCCC2)CSC3)cc1C 4224451 YAHBKGJRJRGVCT-UHFFFAOYSA-N 355.507 4.755 0 40 FJAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 4912199 SSVXMKOXTGWADU-INIZCTEOSA-N 369.461 4.591 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3)c2)cc1 6204386 LILOBPHKGXQPEN-KRWDZBQOSA-N 359.425 4.898 0 40 FJAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)c1 11914510 SOKGPOAGQQVYMD-UHFFFAOYSA-N 353.447 4.555 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 12599588 OVOYWHQIIPVUSE-IFIJOSMWSA-N 370.848 4.640 0 40 FJAB Cc1ccccc1CN(C)Cn1nc(Nc2ccc(F)cc2)sc1=S 12993631 DKGLMBHDNJGFSP-UHFFFAOYSA-N 374.510 4.955 0 40 FJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2cccs2)n1 14595450 CITMDVYMWUSZNF-UHFFFAOYSA-N 353.472 4.843 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Oc1ccc2c(c1)OCO2 15085246 OGPMSMQBHLDGBC-UHFFFAOYSA-N 368.776 4.508 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1C 15366679 DADJGKSHNOFURL-LBPRGKRZSA-N 366.230 4.611 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(OC2CCCC2)c1 19874472 HVGIUGFHIKEJRF-JOCHJYFZSA-N 362.473 4.733 0 40 FJAB COc1ccc(OC)c([C@H]2S[C@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 19927735 XODJCZKRRIESPD-SPLOXXLWSA-N 371.502 4.994 0 40 FJAB COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3nc(C)nn23)cc1 20635888 MJZZWBAMPZZCFT-UHFFFAOYSA-N 366.424 4.929 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)OCc1cccc2cccnc12 21759350 UGZIGAKOXVRWCI-UHFFFAOYSA-N 358.397 4.566 0 40 FJAB CSc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 22509186 ILHDFWUIKITQQF-INIZCTEOSA-N 354.519 4.893 0 40 FJAB O=C(C1CCCC1)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 22890396 WNOGAYLIEYSAMH-CYBMUJFWSA-N 364.898 4.652 0 40 FJAB CC[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 23114355 RJWXFEDCNFXZCI-IBGZPJMESA-N 360.457 4.584 0 40 FJAB O=C(c1ccc(F)cc1F)N1CCCC[C@H]1c1nc2ccccc2s1 24383765 IQEABOXVRDKEDH-INIZCTEOSA-N 358.413 4.942 0 40 FJAB Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1 27581044 WYXGGLHAUQSUMG-UHFFFAOYSA-N 360.457 4.745 0 40 FJAB CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 36616804 XUCHQCDTYCWIKV-UHFFFAOYSA-N 370.456 4.933 0 40 FJAB Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CC(C)(C)C2 39980645 IDMFHBUXXHKNMP-CYBMUJFWSA-N 364.445 4.715 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1OC 44904816 QHSLNAHZPKVHRG-HXUWFJFHSA-N 365.429 4.653 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 44912821 SVAWLAPZEJNREM-VQIMIIECSA-N 368.908 4.530 0 40 FJAB CCOc1ccc2cc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)[nH]c2c1 48287832 HKNVINUYCVTDNG-CXAGYDPISA-N 352.434 4.555 0 40 FJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(Cc1ccco1)C3 54313274 BAOBPECATRKPHH-UHFFFAOYSA-N 373.408 4.714 0 40 FJAB biogenic CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2ccc(C(=O)O)cc2)S1 71286489 UUEBKYPCBGCVRL-MRXNPFEDSA-N 371.462 4.678 0 40 FJAB CC(C)(C(=O)NCC[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 72303074 HAEJKRYDGUFUIY-KRWDZBQOSA-N 366.288 4.511 0 40 FJAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)C(C)(C)c1ccccc1 75582587 BOTPSYCZVSMJHZ-ZDUSSCGKSA-N 350.384 4.505 0 40 FJAB COc1ccc(C)cc1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 84131257 JSJPMFLBDMSVNL-KRWDZBQOSA-N 366.486 4.981 0 40 FJAB CN(Cc1cccc2ccccc12)C(=O)Nc1nnc(C(C)(C)C)s1 84325395 ABNRFLZBVLMADK-UHFFFAOYSA-N 354.479 4.653 0 40 FJAB O=C(CSC1CCCC1)N1CCS[C@H](c2ccccc2F)CC1 219072773 ZAZNVVZCXWRACQ-KRWDZBQOSA-N 353.528 4.508 0 40 FJAB O=C(NCCOc1cccc2ccccc12)c1ccc(N2CCCCC2)cc1 223537099 OEBUCMQUYVIPPP-UHFFFAOYSA-N 374.484 4.639 0 40 FJAB CCCOCc1cc(C(=O)Nc2ccccc2SC)ccc1OCC 224710433 QUVSRDIXRULNCB-UHFFFAOYSA-N 359.491 4.986 0 40 FJAB CCCCOCc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCC 224728706 TXARPWUJSRVBCM-UHFFFAOYSA-N 371.477 4.971 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1Cl 225281274 NMSYPFLBSODICB-LBPRGKRZSA-N 362.882 4.564 0 40 FJAB COc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225373933 URPHFYUFQWQWNF-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB O=C(NCc1cccnc1-c1ccsc1)NC12CC3CC(CC(C3)C1)C2 225648455 TYFWTNVMUKJCGW-UHFFFAOYSA-N 367.518 4.578 0 40 FJAB CCc1nnc2sc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nn12 226298422 UMSYGFUWJAAGHO-UHFFFAOYSA-N 370.865 4.648 0 40 FJAB Cc1nnc(-c2ccccc2C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)o1 333365958 VHZFMGNETPAMAZ-GOSISDBHSA-N 361.445 4.835 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2)c(C)c1 408826970 LWCWOVRYDBZQSF-UHFFFAOYSA-N 360.251 4.668 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409017805 GBDMZVHHXDUKDB-HWQJWEFDSA-N 371.458 4.692 0 40 FJAB Fc1ccc(Nc2nc(Cl)nc(Cl)c2Br)cc1F 710627087 MXGZVPRWJAAYBG-UHFFFAOYSA-N 354.969 4.568 0 40 FJAB CC(C)(C)Sc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 726759609 BPKBRBBTHLPFSV-INIZCTEOSA-N 372.465 4.781 0 40 FJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1OC 643386 RPIWFPULXXTFSY-JOCHJYFZSA-N 374.440 4.783 0 40 FJAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCC3 2143186 DBBDIIKTYLGDHE-UHFFFAOYSA-N 374.506 4.967 0 40 FJAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC)c2c1C 3322355 GIPNTAHMRJFQOT-UHFFFAOYSA-N 373.503 4.510 0 40 FJAB Cc1cccc(C)c1OCCOC(=O)c1ccc(C(=O)c2ccccc2)cc1 3361830 YOIGRAIMQJCMOH-UHFFFAOYSA-N 374.436 4.770 0 40 FJAB Cc1c(OCC(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCCC3 4747500 GIDZDLHNBSSSQK-UHFFFAOYSA-N 362.425 4.632 0 40 FJAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)oc2c1 5557805 TTWVQGWTZYRHRZ-UHFFFAOYSA-N 364.426 4.604 0 40 FJAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2)cc(C)c1Cl 5924772 SNPRUXBWZZZMFC-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 6554589 QIXHTMNPFQLTFB-UHFFFAOYSA-N 359.219 4.930 0 40 FJAB biogenic Cc1ccccc1/N=c1\scc(-c2ccco2)n1CCCn1ccnc1 6566754 ASERXENDMUKIBF-XDOYNYLZSA-N 364.474 4.637 0 40 FJAB CCN(C(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 6654324 MJGSTTVFXDLBOC-GFCCVEGCSA-N 359.882 4.750 0 40 FJAB Clc1cccc(Cl)c1OCCN1CCCC[C@@H]1c1cccnc1 6719090 ZIPQILNSEKKYGM-QGZVFWFLSA-N 351.277 4.994 0 40 FJAB biogenic CCOc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 6881882 KMZXNIRUBZOQDT-JOCHJYFZSA-N 361.441 4.613 0 40 FJAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1C 7236527 PYHCDGNWGGXKNC-HNNXBMFYSA-N 369.490 4.672 0 40 FJAB CCSc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 8041656 IAOSMFBNTSDCQQ-UHFFFAOYSA-N 351.924 4.974 0 40 FJAB COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1Cl 8092202 SVVXTVJTXUCEND-UHFFFAOYSA-N 358.608 4.686 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 8161688 SRZKWNPMSZZRBR-HKUYNNGSSA-N 368.477 4.523 0 40 FJAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(Cl)c1OC 8239211 XKHXKKJVXXGISQ-LLVKDONJSA-N 359.809 4.594 0 40 FJAB COc1ccc(-c2nnc(NCCCOC(C)C)c3ccccc23)cc1 9659513 RPFJHJHTMBSGKM-UHFFFAOYSA-N 351.450 4.532 0 40 FJAB Cc1cc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C(C)C 9900890 QJYXYBMMWFSRAN-UHFFFAOYSA-N 362.473 4.563 0 40 FJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Cl)cc1)N(C)C3=O 10233093 ZEPJXCLWUFACPG-MRXNPFEDSA-N 374.223 4.583 0 40 FJAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCCCC2)cc1 12543833 CJPXDLGVDCOMJO-QGZVFWFLSA-N 363.505 4.605 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)cc3F)c12 12766869 MZIMUIGGPMSTNS-UHFFFAOYSA-N 371.755 4.836 0 40 FJAB CSc1ccc(CN(C)C(=O)c2sc(-c3ccccn3)nc2C)cc1 12788270 IHQRBTLQKKCUBM-UHFFFAOYSA-N 369.515 4.508 0 40 FJAB COc1ccc2cc(C(=O)Nc3nc4c(s3)CCCCC4)c(C)nc2c1 12829731 DXPFASUTWNPRNB-UHFFFAOYSA-N 367.474 4.530 0 40 FJAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1cccc(Cl)c1Cl 12893584 YBBHURAIBBGKSX-LBPRGKRZSA-N 374.314 4.509 0 40 FJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)Cc3cccs3)c(C)c12 12929249 CVJBKSAZGPCXBY-UHFFFAOYSA-N 373.547 4.939 0 40 FJAB CCOc1c(Cl)cc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)cc1OC 15597705 SDKBKEHMEBYNSC-RUMSDORHSA-N 373.880 4.980 0 40 FJAB O=C1[C@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12 17991515 FMPOWQSUNMGUMG-SESVDKBCSA-N 355.437 4.913 0 40 FJAB CCc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 20411732 JWHBXZBVKKKYKE-UHFFFAOYSA-N 368.458 4.676 0 40 FJAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20453715 SBBPOLVOOSLLEE-UHFFFAOYSA-N 367.470 4.608 0 40 FJAB Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)o1 23496438 LZXDURJHCCDGRS-UHFFFAOYSA-N 363.417 4.504 0 40 FJAB O=C(c1ccc2ccccc2n1)N(Cc1c(F)cccc1Cl)C1CC1 32880002 QWOUTUHZONUBCN-UHFFFAOYSA-N 354.812 4.832 0 40 FJAB O=C(Nc1ccccc1)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 36635953 SPBARENAFTVCCI-FQEVSTJZSA-N 361.372 4.532 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(F)cc1 40556512 BZBBRUVPJGISHJ-UHFFFAOYSA-N 371.799 4.879 0 40 FJAB Cc1ccccc1N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 57679899 UFCGISHMWJRGGS-UHFFFAOYSA-N 367.880 4.626 0 40 FJAB CC(=O)n1nc(-c2ccccc2F)nc1SCc1ccccc1Cl 59488841 GFNRATXAAYBVQT-UHFFFAOYSA-N 361.829 4.690 0 40 FJAB COc1cccc(-c2cncc(C3CCN(CCc4ccccc4)CC3)n2)c1 72359360 RYAUWORUFSCLQF-UHFFFAOYSA-N 373.500 4.574 0 40 FJAB c1ccc(C23C4[C@H]5N=N[C@@H]4[C@@H]4[C@@H]5[C@@]2(c2ccccc2)[C@@]43c2ccccc2)cc1 104288523 CFTZWOUSJQYYFS-XFZRMKDYSA-N 360.460 4.906 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 113945761 AFVNOPDYQHHNHU-KRWDZBQOSA-N 363.457 4.711 0 40 FJAB C[Si](c1ccccc1)(c1ccccc1)[C@H]1Cc2cccc3cccc1c23 195786956 OLDWHYHXGFBURW-DEOSSOPVSA-N 350.537 4.912 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 224288375 FHHHYMXJRPRSNH-UXHICEINSA-N 363.486 4.777 0 40 FJAB S=C(NCCSCc1c(Cl)cccc1Cl)Nc1cccnc1 225366551 BBKMGEWENUYUOD-UHFFFAOYSA-N 372.346 4.608 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1c(F)cccc1F)CC(C)(C)O2 225674645 XDHFXXMKVZKWRN-OAHLLOKOSA-N 362.445 4.862 0 40 FJAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccccc3Cl)CCCC2)s1 225680910 ZZDDKLXUZFJVMS-ZDUSSCGKSA-N 363.910 4.697 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC[C@@H]1C 226330383 WLTYODXHAXIIHG-AWEZNQCLSA-N 357.885 4.862 0 40 FJAB COc1ccccc1CNC(=S)c1cccc(OCc2ccccc2)c1 408572517 JCXVLQJEZSYKBY-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB COc1ccc(CSCC(=O)Nc2ccc(Cl)cc2Cl)cc1 408730345 PVDBQRWEXTWOMI-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 408820595 XCNWRAXIKZWCRM-YBEGLDIGSA-N 359.834 4.585 0 40 FJAB O=C(CSCc1ccccc1Cl)NCCSC1CCCCC1 409027311 GRTYOQAMVLRCES-UHFFFAOYSA-N 357.972 4.755 0 40 FJAB CCc1ccc([C@H]2CCCCCN2C(=O)Cc2noc3ccccc23)o1 606801366 XQXMTJGVEIBHFI-GOSISDBHSA-N 352.434 4.670 0 40 FJAB COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O 642588 JIEINYQEXWLMCU-UHFFFAOYSA-N 372.218 4.569 0 40 FJAB COc1cc(SC)ccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 867259 CYXXGBAXLNEUPN-UHFFFAOYSA-N 364.470 4.655 0 40 FJAB Cc1cccc(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn23)c1 1018217 DBSQIEBJRNQDFV-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CNc1cccc(Cl)c1 1022435 WFYQWNXPAAMKDL-NVNXTCNLSA-N 362.813 4.585 0 40 FJAB Cc1cccc(NC(=O)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c1 1350192 SAEUECCQTPTHHR-KRWDZBQOSA-N 362.477 4.900 0 40 FJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc(Cl)cc1 1377840 TUEOKNBERHQRRE-QZTJIDSGSA-N 374.937 4.717 0 40 FJAB COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@@H]1CCCN(CC2)[C@H]31 1587372 JSWHPWDJHXROFD-NYHFZMIOSA-N 360.457 4.642 0 40 FJAB Cc1cc(C)nc(NP(=O)(Oc2ccccc2)Oc2ccccc2)n1 1615651 GAAQKFIQUUHOPR-UHFFFAOYSA-N 355.334 4.771 0 40 FJAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1 1982663 ZIUJPQKEPQBVDE-QGZVFWFLSA-N 369.461 4.830 0 40 FJAB COc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 2335129 IOMYPUPHLJVAFT-UHFFFAOYSA-N 374.444 4.501 0 40 FJAB C[C@@H]1CCCc2sc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c3c21 2357755 XUVXGTWCLSJDST-GFCCVEGCSA-N 363.490 4.512 0 40 FJAB CCc1cc2c(SCC(=O)c3c[nH]c4ccccc34)ncnc2s1 2619701 WFUAHTGZSSYTSC-UHFFFAOYSA-N 353.472 4.710 0 40 FJAB CC(C)c1noc2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12 2631638 QJZGTANJTVOBBK-UHFFFAOYSA-N 351.189 4.590 0 40 FJAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2887516 VXOMZQZLWIHNMP-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB Cc1ccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3ccccc3F)C2)cc1 4131515 SZBQHEHIHADTKM-OAQYLSRUSA-N 359.404 4.521 0 40 FJAB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 4700299 ACBWMEKBGMQBRN-UHFFFAOYSA-N 364.533 4.647 0 40 FJAB Cc1cc(-c2cn3cc(Br)ccc3n2)c(C)n1Cc1ccco1 6314952 IZPVTGFATWNGFJ-UHFFFAOYSA-N 370.250 4.823 0 40 FJAB Cn1c(/C=C/c2cccc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 6452544 KDCJWLCNTRRWGX-MDZDMXLPSA-N 356.878 4.698 0 40 FJAB Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1Cl 6619177 OJJVLYYFVUPXSB-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB C/C=C/c1ccc(OCCn2c([C@H](O)CC)nc3ccccc32)c(OC)c1 7425152 CTXRALLIYFNSDT-RRGNZLCHSA-N 366.461 4.600 0 40 FJAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1 7813366 IWPWRDIOPXJNSZ-UHFFFAOYSA-N 369.848 4.890 0 40 FJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(Cl)cc1Cl 7814198 SWBXEJJWZHBCDC-SECBINFHSA-N 354.199 4.725 0 40 FJAB COc1ccccc1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8391451 XNSWYHBWULCFMR-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 8654018 PAAPYGKQZOHGNG-SJLPKXTDSA-N 361.489 4.911 0 40 FJAB C[C@H](Sc1ccc2ccccc2n1)C(=O)NCc1ccccc1Cl 12813509 WQJRJEPRJWHPBZ-ZDUSSCGKSA-N 356.878 4.685 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 14022607 INPLEHBEDROHKL-ACJLOTCBSA-N 374.481 4.822 0 40 FJAB O=C(CCCSc1nnc(/C=C/c2ccc(F)cc2)[nH]1)c1ccccc1 14807721 UFSYWMZAXZSZFF-JLHYYAGUSA-N 367.449 4.869 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 14833526 BJZCMLXFULHQNW-JLHYYAGUSA-N 368.864 4.618 0 40 FJAB Cc1ccc2oc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc(=O)c2c1 15831183 SRSUFGZSFQEQNE-UHFFFAOYSA-N 373.408 4.537 0 40 FJAB Fc1ccc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1F 19292937 BDHAZPFWOGMVKG-MRXNPFEDSA-N 361.417 4.804 0 40 FJAB CC(C)c1ccc(N2CC3(CCN(Cc4ccccc4)CC3)OC2=O)cc1 19453317 NRDMAEPRJAFVFM-UHFFFAOYSA-N 364.489 4.801 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(NC(C)=O)cc1 20105391 QTLYEVKEALZNAO-HXUWFJFHSA-N 362.429 4.594 0 40 FJAB O=C(Cc1ccc(F)cc1)OCc1cc(-c2cc3ccccc3o2)on1 22769057 KEGLNHMSOZXIIB-UHFFFAOYSA-N 351.333 4.513 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2cc(C)ccc2C)cc1 27395577 CJDQZGFYAFOKTF-NRFANRHFSA-N 365.473 4.639 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccccc2)c(OC)c1 29067622 MLLPXROOBGOPKU-BEFAXECRSA-N 371.502 4.548 0 40 FJAB C[C@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 31298110 GPLGAQQQNWMVMM-SEXZEVIRSA-N 356.598 4.810 0 40 FJAB biogenic,in-vitro COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 32610128 CURFHYLBYFSQGB-NWDGAFQWSA-N 368.260 4.647 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2csc(-c3cccs3)n2)cc1F 32745026 LNFGYLIQLYNHJQ-JTQLQIEISA-N 362.451 4.510 0 40 FJAB CCCOc1ccc2cc(C(=O)c3c(C)[nH]c(C)c3C(=O)OCC)oc2c1 32753112 RXMDSTZUIDQZRA-UHFFFAOYSA-N 369.417 4.574 0 40 FJAB O=C1C[C@H](c2cccc(Cl)c2)c2ncn(-c3cccc(Cl)c3)c2N1 35324455 OOWKAHADIYEMIC-OAHLLOKOSA-N 358.228 4.653 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2-n2cccc2)cc1Cl 36393783 JNHJWVOTQKSIAV-UHFFFAOYSA-N 367.836 4.650 0 40 FJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCC[C@H]2CCCC[C@@H]21 40130496 YRQXCKIPKKXNRH-QAPCUYQASA-N 357.425 4.793 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C 41077065 NOJJNTDYBMUBTL-UHFFFAOYSA-N 363.461 4.589 0 40 FJAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1ccccc1 41095138 BRMQJSZMJUXLRK-SECBINFHSA-N 364.681 4.686 0 40 FJAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)ccc1OCC(C)C 49544610 YEAAMVXVUXMQMX-HNNXBMFYSA-N 371.481 4.805 0 40 FJAB FC(F)(F)c1cnc(NCc2ccccc2-n2cccn2)c(Cl)c1 58357532 UTOKADCKCMTOEH-UHFFFAOYSA-N 352.747 4.552 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCCC1 72216098 NABXRRQBIZUEBW-FQEVSTJZSA-N 365.477 4.546 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229499 QFQBMJIYBLNJKM-UHFFFAOYSA-N 367.276 4.891 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348604 DAFDYPWIOTZIHB-LJQANCHMSA-N 360.432 4.908 0 40 FJAB COc1ccc(C(=O)Nc2n[nH]c(C)c2CC(C)C)cc1-c1ccccc1 75610275 UBBQJVVRJQTCQZ-UHFFFAOYSA-N 363.461 4.845 0 40 FJAB CC[C@@H](C)c1ccc(OCCN2C(=O)[C@H](C)CNc3ccccc32)cc1 82087128 JYSOUBVVQMBABK-IAGOWNOFSA-N 352.478 4.674 0 40 FJAB Fc1ccc(/C=C2/CCCc3c2nc2ncnn2c3-c2ccc(F)cc2)cc1 84383774 OFTHFZZGSKORQQ-VBKFSLOCSA-N 374.394 4.946 0 40 FJAB CCCc1ccc(C(=O)Nc2ccc(N3CCC[C@@H](OC)C3)cc2)cc1 96122441 XDCNJXGEBUWBFF-OAQYLSRUSA-N 352.478 4.507 0 40 FJAB COc1cc(Cl)c2[nH]c(Cc3ccc(Br)cc3)nc2c1 216912418 UVJPGDJCVMYQHK-UHFFFAOYSA-N 351.631 4.578 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Cl)cc1)CC(C)(C)O2 222636623 FBMOMVSXSAPRCM-INIZCTEOSA-N 360.841 4.773 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)OC 222907999 XNZCEUSIOCJJAJ-IBGZPJMESA-N 369.461 4.567 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccccc1OC 223275830 IXMOBSIXNLXNQT-JXFKEZNVSA-N 363.457 4.883 0 40 FJAB CC(C)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 223731805 ATLMAIFXUAFHBB-UHFFFAOYSA-N 372.317 4.938 0 40 FJAB 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COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 1300746 XBAPGWKBCRGROR-SIKLNZKXSA-N 360.413 4.839 0 40 FJAB CCOc1ccc(-c2oc3cc(Cl)ccc3c(=O)c2O)cc1OCC 1432493 LPKSIHWOLZNYDR-UHFFFAOYSA-N 360.793 4.616 0 40 FJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc1C 3250822 VWIDIHUSNUQIJS-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB Cc1noc(C)c1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 3533556 OSYMWRFCTXMBIP-UHFFFAOYSA-N 365.414 4.946 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1 3584459 MZVOBMAJIRWEAU-UHFFFAOYSA-N 374.912 4.717 0 40 FJAB Cc1cc(OC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1F 4666441 UAVUIPCOYAYVJV-UHFFFAOYSA-N 367.351 4.745 0 40 FJAB O=C(CSc1nc(-c2ccccc2)cs1)N1CCCc2ccccc21 4668939 GNDWIPOLWAVXRH-UHFFFAOYSA-N 366.511 4.882 0 40 FJAB Cc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(F)cc1 4695450 IFCLTRXLEAZBCI-KRWDZBQOSA-N 370.449 4.710 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccc(F)cc3)[nH]c(=O)c12 7002505 GSYUWFQCTOPCOF-LLVKDONJSA-N 359.470 4.633 0 40 FJAB CCOc1ccc(CCNC(=O)c2ccc3ccccc3c2)cc1OCC 7671001 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COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72348840 JEIQMVQNDZMLRO-LJQANCHMSA-N 359.473 4.532 0 40 FJAB CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(OCc2cccnc2)c1 76040939 CKRBRPYIZWFLAW-JOCHJYFZSA-N 374.484 4.754 0 40 FJAB Cc1ccc(-c2nc(C(=O)N3C[C@@H](C)Oc4ccc(Cl)cc43)cs2)o1 78934601 KATJKGYUMMYVEA-LLVKDONJSA-N 374.849 4.793 0 40 FJAB Cc1cc(C)nc(NC(=O)c2ccccc2SCc2cc(C)no2)c1 95972417 SNWLTMCUVUXFKE-UHFFFAOYSA-N 353.447 4.539 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1OC 216488208 VQGGODJWRKBAPW-LBPRGKRZSA-N 365.882 4.785 0 40 FJAB O=C(NCC1=CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 224328543 LUIPSCXVDFSQQG-UHFFFAOYSA-N 360.501 4.870 0 40 FJAB CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(OC)c(C)c1 224959307 FGZWNPRUKWLHBH-IBGZPJMESA-N 369.505 4.947 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(C)c1 225289205 ACZOMTNAXSTLIU-LJQANCHMSA-N 361.489 4.656 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1OCC 225451774 WXADYQNFKRGXSX-GFCCVEGCSA-N 365.832 4.768 0 40 FJAB O=C(NCc1nc2cc(C(F)(F)F)ccc2s1)OCc1ccccc1 381959213 GHYJVNNVPILAND-UHFFFAOYSA-N 366.364 4.742 0 40 FJAB S=C(c1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 409204506 HLSYTXJQGQKBOJ-UHFFFAOYSA-N 359.494 4.999 0 40 FJAB COc1cccc2cc(C(=O)NCc3cc(-c4ccoc4)cs3)oc12 1775971782 MQTCBAURHGGOQL-UHFFFAOYSA-N 353.399 4.693 0 40 FJAB C[C@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1F 2037873266 BQAWPUPKSRCUMQ-MXDFIXEMSA-N 370.420 4.945 0 40 FJAB Cc1nc(C)c(CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)s1 2086896526 ILHSGLYHVDGTON-UHFFFAOYSA-N 372.925 4.736 0 40 FJAB c1ccc(CCn2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 890252 IIOLFLLTNUCVFD-UHFFFAOYSA-N 372.497 4.875 0 40 FJAB CC(C)Oc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 937389 FWXFRLKEOPPZGH-UHFFFAOYSA-N 356.422 4.989 0 40 FJAB Cc1ccc(C(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 937690 QRGIHDBGAZTANN-UHFFFAOYSA-N 374.465 4.625 0 40 FJAB Cc1nc(Cl)c(C(=O)NC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl 970400 ODWSRNNXXLJZNK-UHFFFAOYSA-N 372.639 4.621 0 40 FJAB Cc1csc(NC(=O)c2sc3nc4c(C)c(C)ccc4cc3c2N)n1 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4.898 0 40 FJAB CCOc1ccc(C(=O)[C@H](C)Sc2nc(C)nc3ccccc23)cc1 6880505 YEDDKOGBWGHJBX-ZDUSSCGKSA-N 352.459 4.700 0 40 FJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 6931812 PGCBMFXTWYKZGL-UHFFFAOYSA-N 356.897 4.734 0 40 FJAB COc1cccc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)c1 7136320 NFQJYAKZPPSAJO-ATVHPVEESA-N 361.470 4.936 0 40 FJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(F)cc1 8131648 BENRYUVTWLDEOZ-UHFFFAOYSA-N 355.240 4.517 0 40 FJAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc2ccccc12 8156316 HUSQTVFTRUHEML-CQSZACIVSA-N 359.454 4.902 0 40 FJAB c1ccc(CNc2nnc(SCc3nc4ccccc4o3)s2)cc1 8278231 FCKABOGFXCIQBT-UHFFFAOYSA-N 354.460 4.584 0 40 FJAB COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccccc1 8495504 WIWJTGGVKNLIAY-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB COc1cccc2cc(C(=O)Nc3nc4c(s3)Cc3ccccc3-4)oc12 8960549 YXYDWNCSJHNDOR-UHFFFAOYSA-N 362.410 4.721 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(Cl)nc2)cc1 9592306 PCPIFCQWBCQNMK-UHFFFAOYSA-N 365.864 4.535 0 40 FJAB CC(C)c1ccccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 9834617 OLRJVEXGVKDRKB-UHFFFAOYSA-N 351.368 4.524 0 40 FJAB Cc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c(Cl)c1 9876929 QTSIBSXJLRNKIV-UHFFFAOYSA-N 373.953 4.784 0 40 FJAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1Cl 10213461 PCEKAFQAZNBNAK-BUXKBTBVSA-N 373.861 4.573 0 40 FJAB Cc1cc(-c2cnc(N[C@H](C)c3cccnc3)nc2-c2cccs2)on1 12088764 DAOASTAJMHAXHM-CYBMUJFWSA-N 363.446 4.737 0 40 FJAB O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2sccc2N1 12375548 HIXRTMQWYYZCDE-MRXNPFEDSA-N 353.418 4.940 0 40 FJAB Cc1ccsc1-c1nnc2c3ccccc3c(Cc3ccccc3)nn12 12408913 RGNMQLJRVAQXRL-UHFFFAOYSA-N 356.454 4.905 0 40 FJAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CCSc2ccc(Cl)cc21 12821535 KYWPYOSGUMCMFD-CYBMUJFWSA-N 354.809 4.977 0 40 FJAB C[C@@H](c1nc(C(C)(C)C)no1)N1CC=C(c2c[nH]c3ccccc23)CC1 12987322 UTOIXNSDENGIHL-AWEZNQCLSA-N 350.466 4.699 0 40 FJAB Clc1cccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13693163 FSAMGRZQVXOEQP-UHFFFAOYSA-N 363.833 4.721 0 40 FJAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085157 GBFXCWVBNBJQTN-CQSZACIVSA-N 372.350 4.646 0 40 FJAB COc1cc(C(=O)N2CCCCC2)ccc1OCc1ccccc1Cl 15271526 GZEWBEKMPDJNKV-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB Cc1ccc(SCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 17056935 ZJPSTKVOSWYWLZ-UHFFFAOYSA-N 356.476 4.783 0 40 FJAB COc1cccc(-c2nc(Nc3ccccc3F)c3ccccc3n2)c1O 17196322 ZUGDHBOTLIGZSM-UHFFFAOYSA-N 361.376 4.894 0 40 FJAB C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 20456930 DPRADNRWGSZCSB-MRXNPFEDSA-N 353.443 4.518 0 40 FJAB CN1CCN(C/C=C2/c3ccccc3CSc3cc(Cl)ccc32)CC1 22032087 UFCNCLSIWYRAOP-UWVJOHFNSA-N 370.949 4.625 0 40 FJAB COc1ccccc1NC(=O)c1cccnc1Nc1ccccc1Cl 22072155 KNJTXWUGJABOSB-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1 22457708 BTXZQSHCUWJJMI-UHFFFAOYSA-N 371.396 4.568 0 40 FJAB Cc1ccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)c(C)c1 22753479 LZNJBPHAHYLZEG-UHFFFAOYSA-N 362.405 4.579 0 40 FJAB O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1CCc2ccccc2C1 27983281 AWGUYRZLGOZCAM-UHFFFAOYSA-N 373.452 4.546 0 40 FJAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccs2)cc1C 31528236 CDFAXFXPYBHIPE-UHFFFAOYSA-N 363.482 4.868 0 40 FJAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 36620516 FOKTZJBTXDDXDC-OAQYLSRUSA-N 357.519 4.719 0 40 FJAB COc1ccc([C@@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)cc1 38566684 KDXMLWBBAOCTTM-LJQANCHMSA-N 369.530 4.754 0 40 FJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)Nc1c(F)cccc1F 38671411 FMGJTXWXXCZOBA-UHFFFAOYSA-N 359.357 4.625 0 40 FJAB Cc1cc([C@@H](C)NC(=O)Nc2ccc(N3CCCC3)c(F)c2)c(C)s1 40152310 PCQNAERBCCOSFR-CYBMUJFWSA-N 361.486 4.987 0 40 FJAB C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2[nH]1 40157410 GSIMLTNPOYBWCT-LBPRGKRZSA-N 365.820 4.967 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cc2ccncc2)cc1 45126913 IZMRLCGWUGNQOR-HNNXBMFYSA-N 366.848 4.732 0 40 FJAB COCc1ccccc1NC(=O)N1CCC(Oc2c(C)cccc2C)CC1 47520820 QUXFYTAGVHIBIK-UHFFFAOYSA-N 368.477 4.525 0 40 FJAB O=C(NCc1ccc(O)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 48290703 NBRWXLWHRQLGEC-UHFFFAOYSA-N 361.319 4.601 0 40 FJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(Cl)cc1Cl 59195053 SUQDPQXENVHWBE-AUWJEWJLSA-N 352.604 4.991 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 72215952 OHDLWOKTXQLCHL-HXUWFJFHSA-N 365.477 4.546 0 40 FJAB COc1ccc(CNC(=O)c2cc(OC(C)C)c3ccsc3c2)cc1 72241221 AUPMFLWEQUXCFK-UHFFFAOYSA-N 355.459 4.627 0 40 FJAB CCCCc1ccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)cc1 72330168 IAORVQPGHAJLAG-UHFFFAOYSA-N 363.816 4.617 0 40 FJAB Clc1ccc(CN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377611 PVAPHIZKOJHFQG-INIZCTEOSA-N 371.897 4.667 0 40 FJAB CC[C@@H](C(=O)N[C@@H]1CCc2c(O)cccc21)c1cccc(C(F)(F)F)c1 79054086 XDPGZASHGSMQHB-RHSMWYFYSA-N 363.379 4.708 0 40 FJAB COc1ccc(CN(C(=O)/C=C(\C)c2ccccc2)c2nccs2)cc1 96055473 VOSNMKQUELZFDX-JQIJEIRASA-N 364.470 4.788 0 40 FJAB O=C(Nc1cccc(O)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 96990106 NJCUYYRAYKSQAB-UHFFFAOYSA-N 374.318 4.851 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101383967 GNIXJMMCZSNWBX-ADSMDIBLSA-N 358.869 4.858 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219295286 QKZCRHRNSMGVSI-LPHOPBHVSA-N 367.489 4.743 0 40 FJAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1 223115991 BTUFPIVMAKHGTJ-NRFANRHFSA-N 353.462 4.760 0 40 FJAB CCCCCNC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224162604 HHYUAXCEFWPQDR-UHFFFAOYSA-N 361.869 4.848 0 40 FJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225011905 MVDIHFRPQVXHBA-RTBURBONSA-N 368.550 4.553 0 40 FJAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 225264017 HOXFPOULVKYTQV-HNNXBMFYSA-N 358.507 4.573 0 40 FJAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 225468774 GSZDIBTZVFVLTC-IBGZPJMESA-N 367.489 4.663 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1C[C@@H](C)C[C@@H](C)C1 226330500 NAOFDRSICMKMAT-OKILXGFUSA-N 371.912 4.965 0 40 FJAB Cc1cc(-c2ccc(C(=O)Nc3ccccc3N)o2)ccc1Br 226348583 QCFHIJIXROFRPS-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB Cc1cccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)c1 226356080 XQVFEDMMZUHSSU-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)C(C)C 408619787 HKRYLULNJCXJEV-UHFFFAOYSA-N 369.515 4.741 0 40 FJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccccc1F 409095023 GJILDLMFESRONA-UHFFFAOYSA-N 355.482 4.956 0 40 FJAB CCc1cnc(NC(=O)NCc2ccc(-c3csc(C)n3)s2)s1 525227509 CNKBMZNFLYZLAM-UHFFFAOYSA-N 364.521 4.521 0 40 FJAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c(C)o1 1615161520 ZJALHQFSPDKKPA-UZLBHIALSA-N 370.468 4.555 0 40 FJAB CCOc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)[C@H](C)C2=O 940946 XTTBOBICMQPKIB-NSPYISDASA-N 374.820 4.558 0 40 FJAB biogenic Cc1ccccc1C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 2056896 FOMXGOLZFNSTGB-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB O=C1S[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2304434 MPZOLNYPRIHJKV-CYBMUJFWSA-N 353.230 4.631 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)o1 3422329 KMKPOWSYUBZEMJ-HNNXBMFYSA-N 362.429 4.640 0 40 FJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)cc1C 3886775 VCMLSHHRQPBPNL-SNVBAGLBSA-N 356.516 4.851 0 40 FJAB Cc1ccc(Cn2c(CNC(=O)c3cccc(C)c3)nc3ccccc32)cc1 5545731 VFKLWTZUUZTZSC-UHFFFAOYSA-N 369.468 4.631 0 40 FJAB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)O 6355030 YBDSGPDQSVRQSD-PDGQHHTCSA-N 373.408 4.766 0 40 FJAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1C 7915111 GXMMXQOWIWVKFN-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CN(Cc1ccccc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S 8061704 SYQIJBZYQGAGDP-UHFFFAOYSA-N 356.520 4.567 0 40 FJAB CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 8071894 HUAIYRYQZOXLCV-UHFFFAOYSA-N 368.477 4.739 0 40 FJAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCc2ccccc21 8126651 ONTRIUKBHNWJAM-GOSISDBHSA-N 363.288 4.941 0 40 FJAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(F)cc1F 8391509 HNDMLXVCZKODIN-VIFPVBQESA-N 360.187 4.528 0 40 FJAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccccc1Cl 11620664 IIJPBPRYQUANLR-UHFFFAOYSA-N 364.276 4.644 0 40 FJAB CCn1ncc2c(C(=O)Nc3cccc(F)c3)cc(-c3cccs3)nc21 12814811 IFVSELMVZQOQHT-UHFFFAOYSA-N 366.421 4.571 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(F)cc2F)cc1 12896725 RFJKNYQLLHLKIP-FQEVSTJZSA-N 374.431 4.529 0 40 FJAB CCOCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 13648183 JOMBDKGNPFZLRG-UHFFFAOYSA-N 352.478 4.949 0 40 FJAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)cc1Cl 20138634 VEJSSAXPQOVMHW-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1occc1-c1ccccc1 21135396 ZFQCWEMCFNKQST-UHFFFAOYSA-N 367.474 4.641 0 40 FJAB Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1-c1ccccn1 24031618 SEAHDBZAPOAYEC-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc1 28221882 MONLQGCSTKTFCW-UHFFFAOYSA-N 363.417 4.541 0 40 FJAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@H]1C[C@H]1c1ccccc1 28230589 ACWLTBLCDVQYDB-VXKWHMMOSA-N 367.452 4.827 0 40 FJAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(Cl)cc1F 32924784 KKZLABOHWNIFAP-UHFFFAOYSA-N 374.774 4.736 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)NCCSCc1ccco1 32999761 XRJZTDIBBXYNLP-UHFFFAOYSA-N 365.454 4.771 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c12 36613983 VZFZMWHUFANCFL-HUBLWGQQSA-N 369.490 4.814 0 40 FJAB Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1cccc(F)c1 40086363 APIRTKGBTVQOFL-UHFFFAOYSA-N 364.251 4.916 0 40 FJAB O=C(NCc1ccccc1Cl)c1cc(-c2cccc3ccccc23)[nH]n1 44839254 QZNXWOPBVPXUAT-UHFFFAOYSA-N 361.832 4.813 0 40 FJAB C[C@H](CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1 48327519 GXXBYBMQBWOUNZ-GFCCVEGCSA-N 352.297 4.663 0 40 FJAB O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1Cl 85345116 JPPIXJPXXYVHAJ-UHFFFAOYSA-N 374.195 4.653 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)c(F)c1)[C@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194819 QOSKTUBJFPMFKX-CNARJMGZSA-N 355.384 4.960 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)N)CC[C@@H]32)C1 122613290 VJYVCSBIXCOHFV-FUQXPARBSA-N 361.570 4.924 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccccc1 216266981 DJWHTKJWLHWWCN-HXUWFJFHSA-N 357.519 4.510 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219360833 YNTJLNRUKKUTJA-RTWAWAEBSA-N 355.478 4.737 0 40 FJAB COC(=O)c1cn(C(=O)CSCc2ccc(Cl)cc2)c2ccccc12 222570587 ILGRAQOWSTTYRT-UHFFFAOYSA-N 373.861 4.655 0 40 FJAB COc1ccc(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223377150 UNDCDRLTVIKOGO-QGZVFWFLSA-N 369.505 4.864 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C 223499002 GRGDPWDWRQJXAP-LJQANCHMSA-N 351.490 4.537 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 224357117 IZQJTHAJRBPFRC-PMACEKPBSA-N 362.502 4.710 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1C 225791430 UEZKLJXXLUAYKE-KRWDZBQOSA-N 372.534 4.845 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225820869 XDRITICWHASFKO-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1 226309460 FSDNJEHKGZUONN-UHFFFAOYSA-N 374.897 4.785 0 40 FJAB CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@@H](CCCC[C@@H]13)N2 257242788 IEDDTNADODFDPJ-DTULOEDASA-N 370.537 4.528 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C 408552253 KOTLCJMSNYKRDV-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB Nn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 409099637 RORIIJONZJQRBU-UHFFFAOYSA-N 366.877 4.758 0 40 FJAB Cc1cccc(CC2(O)CCN(C[C@@H](c3ccccc3)C(C)C)CC2)c1 1560797653 KMXSCPBSTLPKJB-HSZRJFAPSA-N 351.534 4.804 0 40 FJAB O=C(Nc1cc(F)cc(F)c1)NC1(Cc2ccc(Cl)cc2)CCC1 1672434389 MNWLNUGQAVHSLQ-UHFFFAOYSA-N 350.796 4.905 0 40 FJAB CCOc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)cc1C 1775971114 GCUUVNQWRKGNPS-UHFFFAOYSA-N 373.396 4.522 0 40 FJAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2Cl)c1 1889098418 JCWIEHJSGNPHRJ-PBWFPOADSA-N 370.806 4.631 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1Cl 840458 CKTXOZYOTXHUAI-SNVBAGLBSA-N 358.652 4.731 0 40 FJAB Cc1ccc(OCC(=O)Oc2ccc(Cl)cc2C)c(Br)c1 952702 XFKXKXHLMYNJJP-UHFFFAOYSA-N 369.642 4.704 0 40 FJAB O=C(O)CCCCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 1874683 NRTPBIGTUGKKTM-UHFFFAOYSA-N 356.491 4.803 0 40 FJAB COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 2632372 AZALVVLJPJSRFN-UHFFFAOYSA-N 363.413 4.632 0 40 FJAB Cc1csc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 3348483 YKQYOTRKTVEVNR-OAHLLOKOSA-N 368.527 4.838 0 40 FJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nncs1)c1ccccc1 3389507 DRACVXRPCWJKPR-KRWDZBQOSA-N 351.456 4.736 0 40 FJAB O=C(CNc1ccccc1Oc1ccccc1)N1CCCc2ccccc21 3458778 AZXKYQVDFPVMAC-UHFFFAOYSA-N 358.441 4.870 0 40 FJAB COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccc(OC)cc1 4052946 AZXPPDBINFZVSA-UHFFFAOYSA-N 367.348 4.777 0 40 FJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@@H](c3ccccc3)CN12 4086954 ZJWNQSNCOZVELZ-XXBNENTESA-N 350.421 4.859 0 40 FJAB biogenic COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 4881191 KBXOVXXIGQVCJK-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB O=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1ccc2ccccc2c1 5002071 FADXSBWIVWSXAV-UHFFFAOYSA-N 372.380 4.518 0 40 FJAB Cc1cccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)c1 5175694 NJIRIPITZROHAP-UHFFFAOYSA-N 366.420 4.802 0 40 FJAB CCc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 5295096 KLIQAMPDNLLDEL-UHFFFAOYSA-N 359.223 4.641 0 40 FJAB CCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 5468639 ONHCNTBLOLJBLZ-UHFFFAOYSA-N 369.262 4.804 0 40 FJAB Sc1nnc(CCc2ccccc2)n1-c1cc(Cl)ccc1Cl 6402860 LJUUKZKCMGHCLT-UHFFFAOYSA-N 350.274 4.648 0 40 FJAB Cc1cc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)ccc1Cl 6549549 ZRMSJVRTTQYSSW-UHFFFAOYSA-N 360.866 4.774 0 40 FJAB c1ccc(-n2c(SCc3cscn3)nnc2-c2cccs2)cc1 6584259 UKYZYZUDRVQPFZ-UHFFFAOYSA-N 356.501 4.745 0 40 FJAB Cc1ccccc1CSc1nnc(NC(=O)c2cccc(F)c2)s1 8822134 LXVGBKYGKWCCTO-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N1CCCCCC1 8984959 OFYKBCLDBBYPON-UHFFFAOYSA-N 350.462 4.534 0 40 FJAB COc1ccc(NC(=O)c2ccccc2NC(=O)CCc2ccccc2)cc1 9355767 UJPUETVPMYKVHH-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB biogenic Cc1cccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)c1C 10366172 OLXDKRGIVPUVBS-UHFFFAOYSA-N 370.449 4.659 0 40 FJAB COC[C@@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1 12648298 IKPYRCDPFXXXEC-AIZVWQMJSA-N 360.429 4.935 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccn2)nc2ccccc12 12650797 RERDZSGZZPWBLM-INIZCTEOSA-N 365.436 4.888 0 40 FJAB O=C(NCc1cccnc1)c1cccc(COc2ccc3ccccc3c2)c1 12946109 SFZNSBZLPLVIAA-UHFFFAOYSA-N 368.436 4.744 0 40 FJAB C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 14141873 GUWZFBGVYDZIQW-OAHLLOKOSA-N 358.432 4.690 0 40 FJAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(F)c1 15313843 HHUGCKAUMOQZEK-UHFFFAOYSA-N 357.816 4.593 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)/C=C/c3ccccc3Cl)o2)cs1 16297962 GUDVDWIHEFYIIZ-RMKNXTFCSA-N 358.850 4.695 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccc(F)cc1 27582763 UQLPIZBHSTYUDB-FQEVSTJZSA-N 374.887 4.826 0 40 FJAB COc1cccc(NC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 27925062 SITLACRUACNCTR-UHFFFAOYSA-N 370.840 4.795 0 40 FJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@H]1C[C@@H]1c1ccccc1 28229392 CSZNQQSXZLZGTP-PKTZIBPZSA-N 367.452 4.827 0 40 FJAB COc1ccc(CSc2noc(-c3ccc(Cl)cc3)n2)cc1OC 32611982 ZGFFXVYHCIAZFV-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB Cc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1 33298145 MDOHHPPVGUMFDP-UHFFFAOYSA-N 351.406 4.898 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@H](c2cccc(F)c2F)C1 40287808 AKHBQDJCUVNNDC-NSHDSACASA-N 361.298 4.552 0 40 FJAB Cc1c(C(=O)Nc2ccc(Br)cc2O)oc2c(F)cccc12 48304224 RHGVEQCHWHLDGP-UHFFFAOYSA-N 364.170 4.601 0 40 FJAB Cc1ccc2c(C(=O)N3CCCCC3)cc(-c3cnn(C(C)C)c3)nc2c1 63844543 ZRVPYXLYOORYID-UHFFFAOYSA-N 362.477 4.614 0 40 FJAB O=C(NCCCc1ccccc1)N(CCc1cccs1)Cc1ccco1 75154773 YXMXPDVUZVQYIP-UHFFFAOYSA-N 368.502 4.728 0 40 FJAB O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1ccco1 77183913 ILBMSYIELIHHFO-UHFFFAOYSA-N 368.483 4.836 0 40 FJAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)c1ccsc1 85471494 GCKGAXIOVPBKJU-UHFFFAOYSA-N 357.504 4.718 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)o1 95350880 UENNAMFBZPTYIU-DGCLKSJQSA-N 372.490 4.586 0 40 FJAB O=C(CN[C@H](Cc1ccccc1)C1CC1)Nc1cccc(Cl)c1Cl 95466638 GKXZTXOIPSJIEQ-QGZVFWFLSA-N 363.288 4.543 0 40 FJAB O=C(CSc1ccc(F)cc1)NCc1ccccc1-c1ccsc1 96122896 YNOWISMDGGBMCD-UHFFFAOYSA-N 357.475 4.963 0 40 FJAB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C2 100190256 KEXZTAHNMDJXFD-JDNHERCYSA-N 359.775 4.693 0 40 FJAB O=C1Nc2ccccc2C12CCC(Nc1ccc3nc(C4CC4)oc3c1)CC2 182894246 CTMCCALPISOPEZ-UHFFFAOYSA-N 373.456 4.950 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219072586 IFHQPSCIQNDPLZ-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(C(C)(C)C)cc1 222650930 NAFZBYUHQRCNQM-HNNXBMFYSA-N 353.462 4.523 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C)s2)cc1 222876547 LMNBFWIXDKQQOQ-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc2c(c1)CCCC2 223049789 IDJMKDQWZSYRPQ-NRFANRHFSA-N 371.546 4.920 0 40 FJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NC(C)(C)C)o2)c1 224897256 UDPSLXGRYRMVRC-UHFFFAOYSA-N 350.418 4.546 0 40 FJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CCCCC3)o2)c1 224902471 SGZZMBNYOBYWKU-UHFFFAOYSA-N 362.429 4.643 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=S)NC2CCCCCCC2)c1 225517634 DKHJSJMMLKHGPI-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB CO[C@H](CNC(=O)NCc1cccc2ccccc12)c1ccc(Cl)s1 225709502 OTMLUGHIZHEXBD-MRXNPFEDSA-N 374.893 4.742 0 40 FJAB COC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339887 PZIRDLQFMUSJOS-UHFFFAOYSA-N 373.605 4.607 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1C 408627983 PANJBQVGFLONOK-UHFFFAOYSA-N 369.515 4.657 0 40 FJAB COc1ccc(-c2nc(CNc3ccccc3-n3cccn3)cs2)cc1 1308314952 JWYJOQCCQUOGIK-UHFFFAOYSA-N 362.458 4.617 0 40 FJAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 811890 BMEZXYVVZHAQJM-UHFFFAOYSA-N 372.424 4.721 0 40 FJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCC1 3205635 RBVZFJDEKZOJCP-UHFFFAOYSA-N 364.470 4.723 0 40 FJAB O=C(c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1)N1CCCCCC1 3265782 XQWPAPNASAQXND-UHFFFAOYSA-N 369.852 4.802 0 40 FJAB CN(C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 3347649 WEAOZQXHRNVZDB-QFIPXVFZSA-N 360.457 4.512 0 40 FJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(-c2ccccc2)n1 3407737 PKIKLZTWUHCUDL-UHFFFAOYSA-N 370.783 4.692 0 40 FJAB COc1ccc2oc(C(=O)Nc3nc4ccc(F)cc4s3)c(C)c2c1 3429053 CBJUSIZJEWPFPI-UHFFFAOYSA-N 356.378 4.751 0 40 FJAB COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nc2c1 4776792 MQSXEVAITHYKJO-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 5083810 SIKRJWOKXLYUOQ-UHFFFAOYSA-N 363.442 4.714 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1c(F)c(F)cc(F)c1F 5455331 DDVNRFNDOPPVQJ-RDDDGLTNSA-N 371.157 4.877 0 40 FJAB in-vitro CCOc1ccc(N(CC(=O)c2ccccc2)C2=NCCCCC2)cc1 6870380 OBXLMMYFCFVYKN-UHFFFAOYSA-N 350.462 4.747 0 40 FJAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccs1 7523902 UBOPNKYEIWGODL-UHFFFAOYSA-N 357.450 4.765 0 40 FJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1-c1ccccc1 8038552 KNZFJEITLPXYRQ-UHFFFAOYSA-N 359.425 4.746 0 40 FJAB O=C(OCc1nc2ccccc2o1)c1cc2c(s1)-c1ccccc1OC2 8331619 UOTGAYFYHRVTAJ-UHFFFAOYSA-N 363.394 4.806 0 40 FJAB CC(C)[C@@H](Nc1ncnc2sccc12)c1ccc2c(c1)OCCCO2 9365083 IYQRYIJQNLODNV-QGZVFWFLSA-N 355.463 4.662 0 40 FJAB Cn1/c(=N\C(=O)c2ccc(Cl)s2)sc2ccc3ccccc3c21 11847344 XMBITNHSAPPJSM-HTXNQAPBSA-N 358.875 4.849 0 40 FJAB CC(C)COc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 11915815 XPNBXKYAAYVINH-UHFFFAOYSA-N 371.824 4.677 0 40 FJAB Fc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccncc3)no2)cc1 12143942 DEGWBCZCEAMJND-FQEVSTJZSA-N 351.425 4.993 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(-n2cccc2)c1 12532684 RBKDTGGORDPFBQ-HNNXBMFYSA-N 361.470 4.920 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12973350 AVHGAHUMQGIJGN-GFCCVEGCSA-N 358.850 4.870 0 40 FJAB COc1cc2ccccc2cc1C(=O)Oc1ccc(Br)cc1 13141545 VLNAKVLJYNQDHL-UHFFFAOYSA-N 357.203 4.830 0 40 FJAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13770618 AAXBCBPWDLFNPD-MJGOQNOKSA-N 358.894 4.963 0 40 FJAB O=C(Nc1cccc2ncccc12)c1cc(C2CC2)nn1-c1ccccc1 15356368 BURHXKDZXSKYEN-UHFFFAOYSA-N 354.413 4.550 0 40 FJAB CC(=O)O[C@@H]1c2cc(Br)ccc2O[C@H](c2ccccc2)[C@H]1C 16608267 HFTDLEDPSINFHJ-VQTKTOELSA-N 361.235 4.823 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 20044733 CKDJRJRBAOBMFZ-ZDUSSCGKSA-N 362.267 4.979 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN([C@@H](C)c1ccccc1)C3 20502014 FWJHSHZPBJYGHF-ZDUSSCGKSA-N 369.848 4.922 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cc(C)ccc1C 21787196 VGLNYLBWZDMLIP-NRFANRHFSA-N 361.489 4.775 0 40 FJAB Clc1ccc(-c2cc(CSc3nncn3C3CC3)on2)c(Cl)c1 22748158 GKSKTVCFHKDUNJ-UHFFFAOYSA-N 367.261 4.867 0 40 FJAB O=C(CCn1ccc2ccccc21)Nc1nnc(C2CCCCC2)s1 29089822 RPEUSMKZMUTCEV-UHFFFAOYSA-N 354.479 4.569 0 40 FJAB Cc1ccc(-c2noc(-c3cccnc3N(C)Cc3ccccc3)n2)cc1 33004345 MCPVDIYTMBUDTO-UHFFFAOYSA-N 356.429 4.743 0 40 FJAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39759439 YUEDNMPIBMPGJP-UHFFFAOYSA-N 372.896 4.508 0 40 FJAB C[C@@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)c1c[nH]c2ccccc12 40151919 LTROHORZICTUNH-SSDOTTSWSA-N 355.262 4.514 0 40 FJAB Fc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ccccc2n1 43277840 VWDBWEAIRKEMKN-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)CC1 44934274 XRDDUDMRCSNSIE-QGZVFWFLSA-N 354.469 4.549 0 40 FJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 44935800 IPVHGRBOBASPLL-JOCHJYFZSA-N 368.496 4.614 0 40 FJAB CCN(C(=O)Cc1sc(C)nc1-c1ccc(F)cc1)c1ccc(F)cc1 48263573 KAGGQGFHOKIDOE-UHFFFAOYSA-N 372.440 4.992 0 40 FJAB CSc1nnc(SCc2ccc(OCc3ccccn3)cc2)s1 48331587 KIVZJYMSJPFJHZ-UHFFFAOYSA-N 361.517 4.526 0 40 FJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1 54702759 NOXVDJKVWQMYAL-IBGZPJMESA-N 365.820 4.515 0 40 FJAB CCc1ccc([C@H](NCC(=O)Nc2ccccc2)c2cccs2)cc1 57802901 PDNQTYBOKVXAFG-NRFANRHFSA-N 350.487 4.628 0 40 FJAB COc1ccccc1-c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890718 QJISMRMROHLOPX-UHFFFAOYSA-N 362.389 4.606 0 40 FJAB C[C@H](OC(=O)c1ccc2ncccc2c1)C(=O)Nc1cccc2ccccc12 72274822 RWBPEKZUCYUJRJ-HNNXBMFYSA-N 370.408 4.572 0 40 FJAB Fc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 72348852 YBDDXCALQATZOA-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3ccccc3)n2)cc1 72357738 OEHKEFHVORJTRA-DEOSSOPVSA-N 370.496 4.887 0 40 FJAB CCc1nnc(O)c(-c2nc(-c3ccc4c(c3)CCC4)cs2)c1CC 79108468 BQFRGZPUZYFCPN-UHFFFAOYSA-N 351.475 4.586 0 40 FJAB O=C(O)[C@@H]1c2ccc(Cl)cc2CCN1c1ccc(Cl)cc1Cl 95627615 OXVOOMKBZMFVJN-HNNXBMFYSA-N 356.636 4.835 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 216234598 JATDLIUBGJSEBR-GFCCVEGCSA-N 352.261 4.640 0 40 FJAB CCn1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc21 222586184 RLIJBQICBSXDDA-KPOBHBOGSA-N 362.502 4.646 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)n1cc(C(=O)OC)c2ccccc21 222621513 JBVFNSGKDZIBSC-IBGZPJMESA-N 365.429 4.543 0 40 FJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 222780504 HJEWLDXTVKEVSD-PMACEKPBSA-N 368.550 4.607 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCCCc1ccc(Cl)cc1 222833981 HANUEHUMHTUKAI-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB Cc1c(Cl)cnc(NC(=S)NCc2ccc(Cl)cc2)c1Cl 223928913 KUPJGQYKYHSDHH-UHFFFAOYSA-N 360.697 4.837 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COC 224685671 ICIZIQPBGAYCDD-UHFFFAOYSA-N 353.340 4.503 0 40 FJAB CCn1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc21 260778290 RLIJBQICBSXDDA-VOBQZIQPSA-N 362.502 4.646 0 40 FJAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)NC(c1ccccc1)c1ccccc1 390829223 XMTTXNRJNZXVPG-YOFSQIOKSA-N 366.530 4.844 0 40 FJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1F)N2 408994505 HVAZXJPBUOWOOM-YUXAGFNASA-N 359.400 4.995 0 40 FJAB c1ccc(-c2cnc(Nc3ccc(CC[C@H]4CCCN4)cn3)s2)cc1 585263015 VKLSTPFVXJCAQN-QGZVFWFLSA-N 350.491 4.633 0 40 FJAB COc1ccc(-[n+]2c(-c3ccc(C)cc3)cn3c2CCc2ccccc2-3)cc1 636621 LQRZVJDENGZCSL-UHFFFAOYSA-N 367.472 4.837 0 40 FJAB O=C(CCC1CCCC1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359647 WEEPDOVZRZVFKT-KRWDZBQOSA-N 371.456 4.552 0 40 FJAB O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1 1415041 SNXPXFIPSOZPHF-UHFFFAOYSA-N 357.866 4.828 0 40 FJAB Cc1cc(-c2noc(COc3cccc(Cl)c3)n2)c2ccccc2n1 1424786 VVCJSVMCGILQDU-UHFFFAOYSA-N 351.793 4.826 0 40 FJAB COc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 2653858 JIFQEELUSNILBR-UHFFFAOYSA-N 358.488 4.816 0 40 FJAB CCOC(=O)C[C@@](O)(c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 3850473 WBSIPYBANMHGJY-XMMPIXPASA-N 360.453 4.851 0 40 FJAB biogenic Cc1cc(C)c(S(=O)(=O)c2ccccc2C(C)C)c(OCC(C)C)n1 4053008 CYYNAJOGNPNIHO-UHFFFAOYSA-N 361.507 4.689 0 40 FJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F 5151107 KDSGEFWXLQJWCW-OIBXWCBGSA-N 369.480 4.703 0 40 FJAB CCCn1nc(NC(=O)C2CCCCC2)c2cc3cc(C)ccc3nc21 5499921 RBSYLYAESBTNQN-UHFFFAOYSA-N 350.466 4.822 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 6267376 WURVXAFXIWIEAU-NRFANRHFSA-N 361.397 4.566 0 40 FJAB CCCOc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 7262740 PGBWAKWXTPSRER-UHFFFAOYSA-N 354.233 4.800 0 40 FJAB CCCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7544943 RGMZWUXXYQCGQJ-INIZCTEOSA-N 365.452 4.886 0 40 FJAB Cc1ccsc1CN(C)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 8394411 VADPHQPGFHQSTD-UHFFFAOYSA-N 368.506 4.532 0 40 FJAB Cc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(C)n1C1CC1 8429324 BSOCLTVSVHWQPY-UHFFFAOYSA-N 351.494 4.928 0 40 FJAB Cc1cc(C=O)c(C)n1-c1sc2c(c1C(=O)O)CC[C@@H](C(C)(C)C)C2 8731404 AIHXUSMULCCHAV-CQSZACIVSA-N 359.491 4.817 0 40 FJAB CC(C)Sc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 10253320 LRUXXUBPAITPQY-UHFFFAOYSA-N 355.488 4.958 0 40 FJAB CCN(CC)C(=O)C[C@@]1(Cc2ccccc2Cl)CCO[C@@H](C(C)C)C1 13655777 ABFDXIGXACACJB-TZIWHRDSSA-N 365.945 4.962 0 40 FJAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(Cl)c1 14668635 ZTXNHGIIHAGETL-NSHDSACASA-N 360.866 4.642 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)CCCc2c[nH]c3ccccc23)cc1 14707095 VGYKEBBJHFZEAH-INIZCTEOSA-N 350.462 4.767 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 20460420 VSYBXFGMRXABDK-IAGOWNOFSA-N 363.457 4.883 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Br)cc1F 20492507 GVWZROQDKFLRCE-UHFFFAOYSA-N 372.234 4.599 0 40 FJAB Cc1cc(OCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc(C)c1Cl 20897324 GZWZMZWYKSQYMX-SNVBAGLBSA-N 364.898 4.556 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)c1 21579299 CAGZPDROYCDLGW-CSKARUKUSA-N 360.369 4.748 0 40 FJAB Cc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccc(F)cc3)nc21 21801121 FMAGAVBMQHDGNA-UHFFFAOYSA-N 371.419 4.800 0 40 FJAB c1ccc([C@H](Nc2ncnc3c2oc2ccccc23)c2ccccn2)cc1 24153892 SDTJWFUULHGOCU-IBGZPJMESA-N 352.397 4.973 0 40 FJAB Fc1ccc(OCc2cc(-c3cccs3)on2)c(Br)c1 28077416 SGPNAQAMKUKQSA-UHFFFAOYSA-N 354.200 4.884 0 40 FJAB Cc1ccsc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1 28334677 GXELZYAKCQPAOT-UHFFFAOYSA-N 364.517 4.527 0 40 FJAB Cn1ccnc1[C@H](NCc1ccc(-c2ccccc2)cc1)c1ccccc1 30643132 QSUCXCHOADMUSM-HSZRJFAPSA-N 353.469 4.966 0 40 FJAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 30938174 NLAIVDSSMYQABA-OAQYLSRUSA-N 350.506 4.880 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)nc2onc(C)c12 32888525 ULCUQJVOOQDCBW-MRXNPFEDSA-N 367.474 4.620 0 40 FJAB O=C(Nc1cccc(F)c1)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 35291759 OQZKIUSZODTJLR-UHFFFAOYSA-N 372.831 4.767 0 40 FJAB CSc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 39751593 AHVONLFDQJVLDO-UHFFFAOYSA-N 354.519 4.568 0 40 FJAB Cc1ccc(C)c(CS(=O)(=O)Cc2ccccc2SC(F)F)c1 40121918 ALUNCAQWODJACH-UHFFFAOYSA-N 356.459 4.733 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 44904238 IIWHSIRIUCEYFT-ZDUSSCGKSA-N 362.267 4.726 0 40 FJAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)ccc1OCC(C)C 49544612 YEAAMVXVUXMQMX-OAHLLOKOSA-N 371.481 4.805 0 40 FJAB CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 58157252 JBNZXSSJGIPRLS-UHFFFAOYSA-N 352.434 4.782 0 40 FJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCc2ccc(O)cc2CC1 65585771 ZVCSIYOFPFGNDZ-UHFFFAOYSA-N 370.452 4.596 0 40 FJAB Fc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348821 XBLNONSDNSXGDJ-HXUWFJFHSA-N 361.464 4.586 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349648 OBDCSBWWQNEZCC-IBGZPJMESA-N 366.480 4.708 0 40 FJAB Clc1cccc(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72359406 OTPHLUHBQKVFDB-SFHVURJKSA-N 364.880 4.572 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCC2)cc1 73047748 FBAYMIDLYCGXLX-UHFFFAOYSA-N 363.505 4.525 0 40 FJAB CC1=Nc2c(c(O)nn2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)S1 95477182 QLJLTYQCZMCXTO-HOCLYGCPSA-N 357.479 4.605 0 40 FJAB COc1cccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3ncnc3N2)c1 101142359 KUFQCXGWVZZURJ-INIZCTEOSA-N 373.243 4.650 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)CC(C)(C)O2 219310167 DOBNLNLIGBLOOA-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 222969301 WJNPOIHATKKQFZ-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 222999435 JBWPGTMFDAAWSW-KRWDZBQOSA-N 363.501 4.700 0 40 FJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 223563432 FGICTIWPTBTFLF-DEOSSOPVSA-N 359.469 4.760 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Br 223642957 IISAKSRSWNAZSD-CYBMUJFWSA-N 374.278 4.734 0 40 FJAB COc1ccccc1CN(C)C(=O)CCc1ccc(Cl)cc1Cl 225375086 OHDRXNQVSFUKMQ-UHFFFAOYSA-N 352.261 4.593 0 40 FJAB COc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1OC 225492532 SFXZBYNXDWCQRX-QGZVFWFLSA-N 358.507 4.778 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1C 225493623 MIEWWSJUDFRGAT-IBGZPJMESA-N 370.518 4.855 0 40 FJAB COc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225870272 OBTZOICGASXNDD-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(C(C)C)cc3)nn12 227142796 YWOORKJCQQMNTF-UHFFFAOYSA-N 374.473 4.599 0 40 FJAB O=C(c1ccsc1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 329376904 LREFQBBSAMQDPV-INIZCTEOSA-N 371.437 4.695 0 40 FJAB COc1ccc(-c2nnc(SC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 408692201 GYMYOVHXAUXJTF-UHFFFAOYSA-N 368.458 4.975 0 40 FJAB CC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Br)cc12 704128 JRVXSCKQJOYCEV-UHFFFAOYSA-N 373.202 4.926 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)cc1 903073 HOVBUBYRTFXTQE-UHFFFAOYSA-N 361.470 4.783 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccc(Cn3ccnc3)cc2)c1 1428816 LKABRQVWXXYQSJ-UHFFFAOYSA-N 357.866 4.559 0 40 FJAB CCCOC(=O)[C@@H](CC)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778569 QHCVRBBNMSYDRT-DGCLKSJQSA-N 364.536 4.640 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1 1808229 HBYVAPAKUROVLM-UHFFFAOYSA-N 369.461 4.784 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)c1 3257276 YMQJJMUGJYSDSO-IBGZPJMESA-N 365.454 4.902 0 40 FJAB aggregator CC(C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 3360410 PVHXTVPQQHPRCO-HXUWFJFHSA-N 372.896 4.555 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 3417639 BLWYXGSFVNMPQU-UHFFFAOYSA-N 367.836 4.597 0 40 FJAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1C 3893226 QJJGVYNKGASCLY-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB COc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1C 5192058 ATFIRPMBTLTMOC-UHFFFAOYSA-N 370.499 4.858 0 40 FJAB Cc1ccc(-c2nc(S[C@@H]3CCOC3=O)[nH]c2-c2ccc(C)cc2)cc1 5266996 ACDQEZZKCHXQLR-QGZVFWFLSA-N 364.470 4.768 0 40 FJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1c(F)c(F)cc(F)c1F 5456111 DDVNRFNDOPPVQJ-CPCISQLKSA-N 371.157 4.877 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)c(C)c1 5584333 WFUYETVFIWNFJA-UHFFFAOYSA-N 359.516 4.800 0 40 FJAB COc1ccc(C)cc1NC(=O)COc1ccc(Nc2ccccc2)cc1 5934597 RHZNMPLMAPBBTH-UHFFFAOYSA-N 362.429 4.765 0 40 FJAB CSCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nc2ccccc2[nH]1 6506218 HSKAADJBUCEZNN-MRXNPFEDSA-N 365.458 4.533 0 40 FJAB O=C(c1cccc2ccccc12)N1CCN=C1SCc1ccc(F)cc1 7346129 RVEYYJYSVCGRDS-UHFFFAOYSA-N 364.445 4.724 0 40 FJAB COc1cccc(Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1 7671946 BVJNPZSVWLGXLB-UHFFFAOYSA-N 368.483 4.552 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 7935344 NTVOODVWQLNGDX-LLVKDONJSA-N 366.280 4.577 0 40 FJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccc1F 8246605 PGZZHQGFFOEGGF-UHFFFAOYSA-N 361.416 4.772 0 40 FJAB Cc1ccc(C)c(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)c1 8476717 OQJSVQICGPDSLA-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 8734075 VFOZIGJWSUIJSI-UHFFFAOYSA-N 367.449 4.703 0 40 FJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(F)cc1Cl 8987668 VPJAFYVIZOVSQP-UHFFFAOYSA-N 357.599 4.544 0 40 FJAB CCc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 9141902 RSBXZVWXJYHGPO-UHFFFAOYSA-N 350.443 4.815 0 40 FJAB O=C(NC1CCCC1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 9227661 KVOJVDWJUJTBBT-SFHVURJKSA-N 352.459 4.720 0 40 FJAB Cc1cc2oc(C(=O)Nc3nonc3-c3cccs3)c(C)c2cc1C 9546925 QZUOWVAACQGNAR-UHFFFAOYSA-N 353.403 4.722 0 40 FJAB COc1ccc([C@@H](c2ccccc2)N(C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 9576659 AGRRJFCBCJZJFS-IFMALSPDSA-N 367.489 4.591 0 40 FJAB Cc1cccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)c1 10213708 VSCRCSCYTDXWBV-UHFFFAOYSA-N 374.492 4.884 0 40 FJAB Cc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 10639655 USZRHNYDNOYMAD-AWEZNQCLSA-N 357.404 4.582 0 40 FJAB CC(C)n1ncc2cc(NC(=O)c3ccccc3SC(F)F)cnc21 11055934 QRLWXRQYIVQIHQ-UHFFFAOYSA-N 362.405 4.579 0 40 FJAB COCCCN(CC1(c2ccc(Cl)cc2)CC1)[C@H](C)c1ccccn1 12364484 MBWFCUSAWYWLEQ-QGZVFWFLSA-N 358.913 4.866 0 40 FJAB CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C)c2)cs1 12618255 ZWNRROHARVFJTR-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccccc2)cc1 12790666 LNCMZVLGJTXQEN-JOCHJYFZSA-N 358.441 4.567 0 40 FJAB COc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12975672 ZPRWWYMMBGNGNW-SFHVURJKSA-N 356.422 4.807 0 40 FJAB CC(C)C(=O)Nc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cc1 13000206 PHGZUWHPJDWUIC-UHFFFAOYSA-N 358.526 4.750 0 40 FJAB c1ccc(CSc2nnc(SCc3ccccc3)c3[nH]cnc23)cc1 13212737 AJSDRHPUIDLIEA-UHFFFAOYSA-N 364.499 4.938 0 40 FJAB CCCCC(=O)Nc1ccccc1C(=O)Nc1c(C)nn(CCCC)c1C 14405665 PFSSGJDHUXWYBB-UHFFFAOYSA-N 370.497 4.681 0 40 FJAB Fc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(F)c1 18138465 OLCYAJCXBYFLDM-UHFFFAOYSA-N 358.866 4.697 0 40 FJAB COc1cc(C)c(CN[C@H](Cc2ccsc2)c2nccs2)cc1C 19567407 ADRANSXSDSXIRP-QGZVFWFLSA-N 358.532 4.904 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cnn(Cc2ccccc2)c1 21007135 ZQAXOTZLJHBBTH-UHFFFAOYSA-N 368.440 4.927 0 40 FJAB Cc1cc(C(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)no1 21828362 WDBBKYKBPQBCDT-UHFFFAOYSA-N 368.245 4.589 0 40 FJAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 22255093 DMZAJFSQTDHMNM-UHFFFAOYSA-N 366.895 4.703 0 40 FJAB Cc1ccc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1 32125048 VEFCXSRONBIBNO-BZSISCHUSA-N 370.562 4.513 0 40 FJAB CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2cc(Cl)ccc21 32607813 PQRJKMLYWYXANF-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB COc1ccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 32716591 ROROUSDIYYYHNF-CQSZACIVSA-N 365.429 4.608 0 40 FJAB CN(Cc1ccsc1)C(=O)Cc1csc(-c2ccccc2Cl)n1 32741291 PIZCXKJLJOXWMY-UHFFFAOYSA-N 362.907 4.726 0 40 FJAB CC(C)N(CCNc1nnc(-c2ccc(F)cc2)c2ccccc12)C(C)C 33010826 JHCXDBCNGOGUMJ-UHFFFAOYSA-N 366.484 4.967 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 33150046 RIKBVQWVODRDIN-UHFFFAOYSA-N 368.433 4.636 0 40 FJAB CCCCc1ccc(C(=O)c2ccc(I)cc2)cc1 37355104 PLRAXGLEEUHGCX-UHFFFAOYSA-N 364.226 4.865 0 40 FJAB CCc1nc(NC(=O)c2cccc(OCc3csc(C)n3)c2)sc1C 40118923 ARDMAYXSSJCUGC-UHFFFAOYSA-N 373.503 4.610 0 40 FJAB CCc1nc(CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cs1 58171318 ZWIPPTSDJKGLJJ-OAHLLOKOSA-N 365.502 4.809 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3C[C@@H]3c3ccncc3)ccc21 58248703 MTQPAAPRNRESIW-QUCCMNQESA-N 355.441 4.952 0 40 FJAB CCn1ncc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc21 65478381 RWGNBTDNVHEUIR-UHFFFAOYSA-N 357.841 4.506 0 40 FJAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)cc1 67190048 YHUWBPTYCKURBI-BZZOAKBMSA-N 370.408 4.926 0 40 FJAB Fc1ccc(OCc2nnc(S[C@@H]3CCCc4ccccc43)o2)cc1 77896579 FEKYSJWNONDALY-QGZVFWFLSA-N 356.422 4.957 0 40 FJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CC=C[C@H](C)[C@@H]3C2=O)cc1 100394280 BQPYTAHDNRGLSY-GKCIPKSASA-N 361.441 4.797 0 40 FJAB O=[S@](Cc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 107933250 SPYRTSYVSBOXJJ-QFIPXVFZSA-N 351.855 4.910 0 40 FJAB Cc1ccc(CSCCNC(=O)COc2ccccc2C(C)C)cc1 222804881 BFEFRGPOBZJLBM-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222891428 JUMAMXLOLRIKAX-UXHICEINSA-N 363.486 4.724 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(C)=O)c1 222921418 SNNGJTJSGZGDBF-FQEVSTJZSA-N 353.462 4.983 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 222955127 WEFJKUTWRKTCSZ-VQTJNVASSA-N 368.550 4.607 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 223053667 VLOZMOIUUBNMRD-ZHRRBRCNSA-N 367.489 4.609 0 40 FJAB CC(C)CSc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 223143266 UEJSVYDPEAFRGW-BQYQJAHWSA-N 353.900 4.592 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(C)cc1 224126329 WZHJOROMAGOMRF-UHFFFAOYSA-N 353.462 4.599 0 40 FJAB CCCSc1nnc(NC(=O)CSCc2ccccc2Cl)s1 224424857 KZLUTHIGKMSGOZ-UHFFFAOYSA-N 373.956 4.566 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225660414 GRQXLFRXOLNYNQ-HNNXBMFYSA-N 370.518 4.516 0 40 FJAB COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1C(F)(F)F 225956798 OWHSOUVMCSNPJD-UHFFFAOYSA-N 351.368 4.921 0 40 FJAB CC[C@@]1(Cc2ccccc2)CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O1 257324644 WPOYMPUCYLFDTB-JQVVWYNYSA-N 359.510 4.814 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 683036 NDMCNUUFLVSHKZ-QGZVFWFLSA-N 359.425 4.632 0 40 FJAB Cc1cc2cc(C)c(SCC(=O)NCCc3ccccc3)nc2cc1C 902923 ZQJOENHWFBHYCY-UHFFFAOYSA-N 364.514 4.611 0 40 FJAB c1ccc(-c2nc3sc4c(N5CCCC5)ncnc4c3c3c2CCC3)cc1 1308644 OQHFOQNPSSWRAH-UHFFFAOYSA-N 372.497 4.995 0 40 FJAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cccc(C(F)(F)F)c1 2497667 JUBVOXOQOJGDPT-UHFFFAOYSA-N 363.360 4.568 0 40 FJAB CCCCCCNC[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 2626772 CMXDXGPJFDZWBN-JOCHJYFZSA-N 369.549 4.922 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2o1 3530275 OVRZCTWNAUXOFE-LLVKDONJSA-N 358.850 4.551 0 40 FJAB Cc1ccccc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 3533763 KZGKSCQCSPDVRF-UHFFFAOYSA-N 360.280 4.835 0 40 FJAB Oc1c(Cl)cc(Cl)c(O)c1Cc1c(O)c(Cl)cc(Cl)c1O 3843497 KIGFURIIQCGBCG-UHFFFAOYSA-N 370.015 4.713 0 40 FJAB biogenic CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 4041944 CMSAZNHVVCITAC-UHFFFAOYSA-N 369.461 4.553 0 40 FJAB Cc1ccccc1CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1 4251311 IYMDSJRDZVQMCB-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccccc1 4629569 YXYQSHMMJRDUIH-IBGZPJMESA-N 351.837 4.685 0 40 FJAB O=C(NC(=S)Nc1ccc(Nc2ccccc2)cc1)c1cccs1 4676268 IFXZRCAXQVDQGV-UHFFFAOYSA-N 353.472 4.619 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 4738616 FDALIBKIHGHDBG-UHFFFAOYSA-N 352.478 4.557 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1C 4880624 WBYWLPYNQYWPDI-UHFFFAOYSA-N 371.234 4.973 0 40 FJAB CCCCOP(=O)(OCCCC)[C@@H](NC(C)=O)c1ccc(F)cc1 5420432 WFUNXAQZQDCHGR-QGZVFWFLSA-N 359.378 4.787 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2C)c2cc3cc(C)ccc3nc21 5499082 VCRJAAZUCQRYEH-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB C[C@@H](SCCCCCCCCCCS[C@H](C)C(=O)O)C(=O)O 5519584 MBVHGSSDZDDVJS-ZIAGYGMSSA-N 350.546 4.520 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ncccc12 6200781 KCJSMJQISLHASS-NSHDSACASA-N 361.228 4.948 0 40 FJAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3)N3C(=O)CSC3=N2)cc1 6204410 KNQYUOKPQJPHSL-QGZVFWFLSA-N 354.862 4.676 0 40 FJAB CCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 6880818 GYUUXKHBRWDDFD-CYVLTUHYSA-N 367.470 4.754 0 40 FJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 7614203 MKTGARXSLILPFL-UHFFFAOYSA-N 364.879 4.715 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N(c2ccccc2)c2nc(C)cs2)c1 7688845 YDBYRXXLRNYCCD-MRXNPFEDSA-N 352.459 4.892 0 40 FJAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2ccccc2c1 7721231 LNTNBVVJXFXUPK-UHFFFAOYSA-N 371.440 4.941 0 40 FJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccccc2Cl)cc1 7750270 KKUVIYOLOKNSKC-UHFFFAOYSA-N 360.841 4.617 0 40 FJAB O=C(OCc1nc2ccccc2o1)c1c2c(nc3ccccc13)CCCC2 8447472 YMPWSVVZSSHJCJ-UHFFFAOYSA-N 358.397 4.612 0 40 FJAB COc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)o2)cc1 8501919 CMOJNBKOOHBWFM-UHFFFAOYSA-N 365.414 4.693 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120037 KHLTTWQAMLWNMW-UHFFFAOYSA-N 372.424 4.988 0 40 FJAB COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccc(F)cc3F)ccc2c1 10281302 ABNWXLDKXIYUTK-ZDUSSCGKSA-N 370.399 4.687 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(SC[C@H](O)c4ccccc4)c23)C1 11530654 KKNOWBPAAANZOS-WFASDCNBSA-N 356.516 4.642 0 40 FJAB CSc1cccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1 12801338 QVOUHBNAKQSNTO-UHFFFAOYSA-N 357.475 4.502 0 40 FJAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cnccn1 13002141 PDPZELLBRNCVPH-UHFFFAOYSA-N 358.426 4.519 0 40 FJAB CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)c(C(=O)c5ccccc5)c(O)c4[C@H]1[C@H]23 13403690 BQIVXBUAUNSLAJ-IWMLSVQMSA-N 364.441 4.630 0 40 FJAB biogenic,in-vitro CC(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2Cl)cc1 13577407 UIIJGTKVQBJTGO-UHFFFAOYSA-N 367.301 4.725 0 40 FJAB CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 14109586 YULDCGFLOFDMCO-UHFFFAOYSA-N 364.426 4.518 0 40 FJAB COC(=O)c1sccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 15606731 OWUJOBIMYNRBBS-UHFFFAOYSA-N 361.806 4.700 0 40 FJAB Cc1cccc(CSc2nc(=O)n(C3CCCCC3)c3c2CCC3)c1 15840362 DITWTBYZTRTHHT-UHFFFAOYSA-N 354.519 4.838 0 40 FJAB COc1ccc(N2C(=O)CS[C@H]2c2ccc3cc(OC)ccc3c2)cc1 17198393 KZAUGFBKJPPQTD-NRFANRHFSA-N 365.454 4.636 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1 22237647 LPXBVDUOEHPORH-CQSZACIVSA-N 351.475 4.710 0 40 FJAB CC(C)Cc1noc(CN2CCc3sccc3[C@@H]2c2cccs2)n1 22532845 SAKYDQAEPPRHBE-GOSISDBHSA-N 359.520 4.539 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCCC2)cc1 27584373 GIVQCXMARKTINJ-NRFANRHFSA-N 370.924 4.996 0 40 FJAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@@H]1C[C@@H]1c1ccccc1 28230579 ACWLTBLCDVQYDB-FGZHOGPDSA-N 367.452 4.827 0 40 FJAB O=C(Nc1ccc(OC(=O)c2cccc3cccnc23)cc1)c1ccccc1 28343361 UNZIDAZEELVRCK-UHFFFAOYSA-N 368.392 4.706 0 40 FJAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1N1CCCCC1 28468766 XCUWEKXUKASZPQ-UHFFFAOYSA-N 365.502 4.858 0 40 FJAB O=C(CCCc1cccs1)NCc1cccnc1Oc1cccc(F)c1 32924685 XKMPLWSQJFLNGW-UHFFFAOYSA-N 370.449 4.714 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc1C 36617036 NBSPOXMNANGEMV-UHFFFAOYSA-N 356.429 4.504 0 40 FJAB CC[C@@H](C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)c1ccccc1 37132965 LPNCOWSARQBFKP-MAUKXSAKSA-N 357.523 4.507 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1 41078077 YWCTXSDFIUQFDN-UHFFFAOYSA-N 363.461 4.589 0 40 FJAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc2ccccc12 45581813 KCQZXSUFLBHDKF-UHFFFAOYSA-N 358.485 4.756 0 40 FJAB O=C(NC1CC1)c1ccc(NCc2ccccc2C(F)(F)F)cc1Cl 55873152 VYLXIDGQHDXFPY-UHFFFAOYSA-N 368.786 4.863 0 40 FJAB CN(C)c1c(F)cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1F 56722938 HWPVNLJJNDZTSJ-GOSISDBHSA-N 374.435 4.575 0 40 FJAB O=C(Cc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1cccs1 70696640 CFNVJRDOMFCYEQ-LJQANCHMSA-N 357.475 4.666 0 40 FJAB CCN(CC)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212867 IKWCJIKIFYYKDD-HXUWFJFHSA-N 367.493 4.792 0 40 FJAB OCc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccccc4)C3)n2)cc1 72348542 WPLCXVSYRNPXHX-JOCHJYFZSA-N 358.485 4.621 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCSCC1 85651694 KQSBTOUDHDKQMG-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1 89641067 DXBZATBYQGKJIZ-IEBWSBKVSA-N 357.519 4.785 0 40 FJAB Cc1ccccc1N1C(=O)/C(=C\Nc2ccccc2)c2ccccc2C1=O 102981772 BJACXAYEBCLDGL-HKWRFOASSA-N 354.409 4.635 0 40 FJAB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(F)cc2)cc1 107892848 HVHPGWFYNDSSQO-UHFFFAOYSA-N 367.420 4.699 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 118914739 OAWOATRDZLDNDV-JOFXYRRGSA-N 362.554 4.769 0 40 FJAB CC1(C)C[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)c2ccccc2O1 141556807 KWZKBVSWODRABR-FQEVSTJZSA-N 364.489 4.709 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)C1 216118505 VLLIYTVYPXHALX-IAGOWNOFSA-N 354.469 4.549 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1cccc2ccccc12 223551371 KOCASDQUSREQOI-OAQYLSRUSA-N 363.457 4.501 0 40 FJAB CC(C)c1ccccc1OCC(=O)NCCOc1ccccc1C(C)(C)C 223731953 GIKFHVHUOYQIGO-UHFFFAOYSA-N 369.505 4.682 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1C 224459431 DZIMVBCOGFBIGR-OAQYLSRUSA-N 363.457 4.501 0 40 FJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CC3)c2)cc1 225335617 YNAXRJOMVKXEBB-UHFFFAOYSA-N 352.503 4.664 0 40 FJAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225495172 PLEFKRQCPJSEIC-UHFFFAOYSA-N 361.445 4.943 0 40 FJAB CCO[C@](C)(C(=O)Nc1ccc(OCc2ccccc2)c(C)c1)C1CC1 225725081 RYGUJCAZRHAGLZ-QFIPXVFZSA-N 353.462 4.718 0 40 FJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1ccc2c(c1)CCCC2 225739489 QHVQXVKEPVXWJW-GOSISDBHSA-N 365.517 4.817 0 40 FJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 226044223 QOCQYVABAUXKDX-UHFFFAOYSA-N 368.864 4.665 0 40 FJAB CCN(CC)c1cccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c1 408736931 DPYLKONELYLNOM-AQTBWJFISA-N 354.837 4.531 0 40 FJAB Cc1cccc(S(=O)(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c1 1561355608 UGFCLWBMHDDRMP-GFCCVEGCSA-N 370.301 4.610 0 40 FJAB COc1cccc([C@H](C)NC(=O)Nc2ccc(Nc3ccccc3)cn2)c1 1673217263 MBYIOAPDONZAPY-HNNXBMFYSA-N 362.433 4.717 0 40 FJAB CCOc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2c1 682499 RGBHFCDJEVKNFI-UHFFFAOYSA-N 366.364 4.966 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccnc1Cl 2506158 YOPRSDZTTFFTDQ-UHFFFAOYSA-N 366.179 4.743 0 40 FJAB CCCCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721458 CQNIQNBBKXQLDK-UHFFFAOYSA-N 369.896 4.852 0 40 FJAB Cc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2 3008305 VMOUIJHUDOKICP-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB O=P1([C@@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)OCCCO1 3149601 JNLZKYAXBGIADU-MRXNPFEDSA-N 353.742 4.786 0 40 FJAB Fc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(F)cc3)=NN2)cc1 4168693 QRUMJWAHPZCOBO-UHFFFAOYSA-N 351.331 4.538 0 40 FJAB CCC(=O)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 4274453 FAIYNZNYNYGBAV-UHFFFAOYSA-N 365.458 4.760 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc2c(c1)CCCC2 4276224 DVLISNXABHOSJR-UHFFFAOYSA-N 359.838 4.583 0 40 FJAB CC1CCN(C(=S)c2ccc(OC(=O)c3cccc(Cl)c3)cc2)CC1 4548273 MJUUNLBNBOQFNL-UHFFFAOYSA-N 373.905 4.967 0 40 FJAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCC2CCCCC2)cc1 4550872 ACFQUUKSVVTRLU-PMACEKPBSA-N 373.493 4.865 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4650957 RMSLGCYKMYECDQ-WCJKSNMJSA-N 361.913 4.828 0 40 FJAB COc1ccc(CCN(Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC 4699250 CYQQPFWMPLQENJ-UHFFFAOYSA-N 369.461 4.752 0 40 FJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)o1 5324375 WTVIVMKLRBJALE-UHFFFAOYSA-N 372.421 4.769 0 40 FJAB CCOC(=O)C[C@@H](c1ccccc1)[C@@H](C(=O)OC(C)(C)C)c1ccccc1 5716970 PVOBBYSKDRJEKA-FPOVZHCZSA-N 368.473 4.849 0 40 FJAB CCOc1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5791105 YBHOWGLPKAVCTH-UHFFFAOYSA-N 366.291 4.708 0 40 FJAB COc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)cc1 7278927 FQSKLOUSWGZACB-UHFFFAOYSA-N 353.447 4.829 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)c1c[nH]c2ccccc12 7738113 MEZIHQIIEQVHOV-UHFFFAOYSA-N 370.408 4.682 0 40 FJAB COc1ccc(CN(C)C(=O)c2oc3ccccc3c2CSC)cc1F 7988275 LFUWXPHORPADQX-UHFFFAOYSA-N 373.449 4.716 0 40 FJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104441 TWZUCWCIYHZXTL-INIZCTEOSA-N 373.481 4.864 0 40 FJAB CCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 8227142 WULAERKIFVEHFW-UHFFFAOYSA-N 364.283 4.536 0 40 FJAB O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1cnccn1 8428644 HWAISZAGSJYLQA-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB COc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c(OC)c1 8728612 CUMNYBQDGRDRIF-UHFFFAOYSA-N 369.442 4.656 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10978715 HULAJHHSRQFALL-GOSISDBHSA-N 366.505 4.562 0 40 FJAB Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1-c1nccs1 12517128 FPZMWGKLBNIHFF-UHFFFAOYSA-N 353.476 4.813 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2o1 12753319 ZPTQOPCJRQRUIF-VIFPVBQESA-N 364.232 4.882 0 40 FJAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1 12775186 IABQURIVMZJOEE-CQSZACIVSA-N 370.474 4.964 0 40 FJAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)Nc1cccc2ncccc12 12903224 DFRNRVREKDYFRH-AWEZNQCLSA-N 374.469 4.606 0 40 FJAB CC[C@@H](C)[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 13008482 PUHANAMFCXHHEL-IERDGZPVSA-N 350.462 4.582 0 40 FJAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C 14405358 KOZUSHBVDPPTLO-UHFFFAOYSA-N 370.497 4.537 0 40 FJAB Cc1cccc2c(C(=O)NC(=S)Nc3ccc(F)cc3F)cccc12 16362486 PIJFDTDIIHRKTO-UHFFFAOYSA-N 356.397 4.553 0 40 FJAB Cn1c(/C=C/c2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 16363597 GKAHGALRNVLDLE-ZHACJKMWSA-N 356.878 4.698 0 40 FJAB Cc1ccccc1Nc1nc(Nc2ccc(Cl)cc2)nc2c1cnn2C 17136035 NCPWMMGGBBUFMJ-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB Cc1ccc(-c2csc(=S)n2CC(=O)N(C)Cc2ccccc2)cc1 17334772 JXTUAUXZWDBEMU-UHFFFAOYSA-N 368.527 4.913 0 40 FJAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20460295 VJBAIYKFOZFDOZ-SFHVURJKSA-N 366.505 4.958 0 40 FJAB CCCc1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 22255035 OKCNMIBTGNAAMK-UHFFFAOYSA-N 374.531 4.975 0 40 FJAB CC(C)c1nnc(SCc2ccccn2)c2c1cnn2-c1ccccc1 23137598 NYEOZLDRODHIRN-UHFFFAOYSA-N 361.474 4.626 0 40 FJAB C[C@H](Sc1nc(NC2CC2)c2ccccc2n1)c1nc(C(C)(C)C)no1 31786232 GGGRBXYBBGDKLN-NSHDSACASA-N 369.494 4.738 0 40 FJAB CC(=O)c1cc2c(cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)OCO2 32994752 HHVVDJVFNRQUDX-IBGZPJMESA-N 373.836 4.650 0 40 FJAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 35311838 UGEXXCHEIXWTRU-SEJPIABJSA-N 365.546 4.559 0 40 FJAB CC(=O)c1ccccc1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 58171163 XWOGOBKSNDDRSQ-UHFFFAOYSA-N 372.468 4.774 0 40 FJAB CCO[C@H](C)c1nc(CN2CCc3cc(Br)ccc32)cs1 84800595 XYSRCEYLXCNNDN-LLVKDONJSA-N 367.312 4.566 0 40 FJAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCC 106960406 UHLBFZZIXJLJRE-UHFFFAOYSA-N 350.256 4.859 0 40 FJAB O=C(c1ccc(-n2cccc2)cc1)N1CCS[C@@H](c2ccccc2)CC1 206986312 PTRLVIXSBVLBIW-OAQYLSRUSA-N 362.498 4.798 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 219546864 DGGHJJSCWJZCOA-XMSQKQJNSA-N 369.505 4.983 0 40 FJAB CCCOc1ccccc1CCCNC(=O)CSCc1cccc(C)c1 222744636 PUKVUMYXJBMKJH-UHFFFAOYSA-N 371.546 4.766 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1Br 222946224 DVZAHAPZQZUHHI-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223410703 SVZNIECNFYSICA-MRXNPFEDSA-N 357.519 4.660 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224295639 OKOZLHGPESARMF-SFHVURJKSA-N 360.457 4.695 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccccc2F)c2ccccc2O1 224443893 UAOLWVLSGGWWKC-LJQANCHMSA-N 355.453 4.957 0 40 FJAB CC(C)c1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 225230805 LSVGBOBHNIFVAY-UHFFFAOYSA-N 373.591 4.823 0 40 FJAB CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccc(C)cc1 225541628 MJTGSVVBXAXDGA-UHFFFAOYSA-N 361.470 4.801 0 40 FJAB CCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225575862 OAQIBEHIIDYSQM-UHFFFAOYSA-N 374.887 4.892 0 40 FJAB O=C(N[C@H](c1ccsc1)c1cccs1)C1(c2ccc(F)cc2)CC1 390827093 TWSSEXJVTCYBPS-QGZVFWFLSA-N 357.475 4.886 0 40 FJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 409104766 FJKYHJWCYVVQDW-UHFFFAOYSA-N 355.482 4.956 0 40 FJAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 677563581 KHYXCZHRTWXLOG-OAHLLOKOSA-N 367.827 4.705 0 40 FJAB O=C(NC[C@@H]1CCc2ccccc21)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1631678533 XGKNEYMZMAWMBX-LNLFQRSKSA-N 354.881 4.615 0 40 FJAB CCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C 844608 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Cc1cc(NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3o2)c1O 4988487 QEVUICDWZLXGFN-UHFFFAOYSA-N 362.360 4.900 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 5177436 ZSACYMIEBHRIMW-UHFFFAOYSA-N 350.443 4.560 0 40 FJAB COc1ccc(-n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)c(OC)c1 5444103 MAMDRVZILUFBIN-UHFFFAOYSA-N 369.490 4.538 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 6235879 XDHRBYDBIRKRPM-UHFFFAOYSA-N 373.452 4.942 0 40 FJAB CC1CCN(C(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 6308976 WSBZASKMGSTILF-UHFFFAOYSA-N 357.837 4.802 0 40 FJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1 6910343 ICJKGWBNCFOXIT-UHFFFAOYSA-N 365.816 4.589 0 40 FJAB Cc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)s1 7129861 PQOGBBCULYXSEM-UHFFFAOYSA-N 351.427 4.571 0 40 FJAB Cc1cccc(CSCCNC(=O)c2ccc(N3CCCCC3)cc2)c1 7505013 SASVOUXFCMSRAA-UHFFFAOYSA-N 368.546 4.649 0 40 FJAB CSc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 9315606 XQHZQFNVPQYROT-SFHVURJKSA-N 370.518 4.500 0 40 FJAB C[C@H](SC1=NCCS1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10863401 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CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38834279 UKWHYFIOAFQIDD-KRWDZBQOSA-N 372.896 4.589 0 40 FJAB c1ccc(Cn2cc(-c3cnn(Cc4cccc5ccccc45)c3)cn2)cc1 49600877 YCRQRVOZCAZQEX-UHFFFAOYSA-N 364.452 4.996 0 40 FJAB O=C(CCSCc1cccc(Br)c1)Nc1ccccc1 58161570 DLTBVOBSQKCJHB-UHFFFAOYSA-N 350.281 4.711 0 40 FJAB Cc1cccc(Nc2nc3nonc3nc2Nc2ccccc2Cl)c1C 59596838 OQGIQKWAVIRKPQ-UHFFFAOYSA-N 366.812 4.770 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1 67296423 UHMNWJRPZXTNCO-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB Cc1[nH]c2ccccc2c1C1CCN(Cc2nc3cccnc3s2)CC1 89534421 VUOFBSGJMNSTDM-UHFFFAOYSA-N 362.502 4.861 0 40 FJAB CO[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1C 96105198 PBNCLCXLZOXCSH-MRXNPFEDSA-N 352.356 4.523 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 102657002 YVXPCRHJKKCHMK-HNNXBMFYSA-N 360.870 4.715 0 40 FJAB C[C@H](NC(=O)c1cccnc1Sc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104751015 VIAOOBZFTHUCMZ-FPXQBCRKSA-N 352.503 4.787 0 40 FJAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3cc(C)ccc3C)ccc2c1 222839850 NGCKAYQEZYGRHM-INIZCTEOSA-N 369.486 4.505 0 40 FJAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3)ccc2OC)cc1 224263370 QDDGZHSTNAQKHN-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccc(Cl)cc1 224496164 IONIKDSDPWBAEB-CQSZACIVSA-N 361.869 4.846 0 40 FJAB Cc1cc(C)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 224540095 LUVGYDRCKCPKFW-UHFFFAOYSA-N 350.506 4.528 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C)c(C)c1 225710924 QCGYGPZTKBJEQQ-QGZVFWFLSA-N 356.491 4.512 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC)c1ccccc1 225837984 NQUJRWZBDJWAQF-VXKWHMMOSA-N 351.490 4.990 0 40 FJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(C)c1 226094601 YPUSCEYRTCOJEG-UHFFFAOYSA-N 362.267 4.889 0 40 FJAB CCO[C@H](C)c1nc(CN(C)Cc2cc(O)cc(C(F)(F)F)c2)cs1 518449241 HXUKEZIEZFZVAZ-LLVKDONJSA-N 374.428 4.597 0 40 FJAB COc1ccc(NC(=O)CCSc2cc(C)c3ccccc3n2)cc1 630207 FKKMRNUHQCHJCX-UHFFFAOYSA-N 352.459 4.673 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 799289 HSRIUWKECCLWAL-LLVKDONJSA-N 363.504 4.752 0 40 FJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1 814017 BXYUMSYCHYRMCV-UHFFFAOYSA-N 361.426 4.660 0 40 FJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1cccc(Cl)c1 1377872 RDPRQYOCZSATPX-QZTJIDSGSA-N 374.937 4.717 0 40 FJAB COC(=O)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1 1387994 GMAZGVKVIVXXMI-UHFFFAOYSA-N 368.241 4.969 0 40 FJAB Brc1c(OCCSc2ncccn2)ccc2ccccc12 2191218 GUSQIOTZGGAQPC-UHFFFAOYSA-N 361.264 4.563 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 2627583 SGCIYZGHKWURCH-KRWDZBQOSA-N 358.441 4.738 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 3403166 RHMJTOOTWFFDKP-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB CCCCc1ccc(N2C[C@H](c3nc4ccccc4n3CC)CC2=O)cc1 4033314 HEDJARCTMXXHIC-GOSISDBHSA-N 361.489 4.919 0 40 FJAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(Br)s1 4264237 VBGBUIJDFLQXPJ-UHFFFAOYSA-N 357.229 4.512 0 40 FJAB O=C(c1cccs1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273184 BEFIMUHWFFDTOL-UHFFFAOYSA-N 369.446 4.739 0 40 FJAB COc1ccccc1NC(=O)Nc1c(-c2ccccc2)nc2ccccn12 5264492 VGFULLLIPLQPQM-UHFFFAOYSA-N 358.401 4.654 0 40 FJAB Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1C 6886986 OUEXSGOGMIWODE-JOCHJYFZSA-N 372.468 4.803 0 40 FJAB CC[C@]12CCC3=C(CCc4cc(OC(C)=O)ccc43)C1=CC[C@H]2OC(C)=O 6934533 RIJXZANIRYKMAD-PKTZIBPZSA-N 366.457 4.764 0 40 FJAB Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1C 7915135 KOPHTHBESJLCTB-JOCHJYFZSA-N 372.468 4.803 0 40 FJAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 8471607 ZABOVWWRUDYQPD-UHFFFAOYSA-N 369.411 4.842 0 40 FJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cc(C)ccc1C 8683913 UJSVRVVEAOOZFQ-UHFFFAOYSA-N 367.474 4.770 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1Cl 11636859 FBLNJKPUUUPVQW-INIZCTEOSA-N 354.233 4.798 0 40 FJAB CCOc1cccc2s/c(=N/C(=O)c3ccc(Cl)s3)n(CC)c12 12378128 BDHSUTYXCJKBAK-FBMGVBCBSA-N 366.895 4.577 0 40 FJAB Cc1ccc(-n2c(SCc3cccnc3)nc3ccccc3c2=O)c(C)c1 12538030 XXRMNIMTBMNBDE-UHFFFAOYSA-N 373.481 4.690 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(Cl)c(C)c1 12784402 SNHWILQLROPMEI-HNNXBMFYSA-N 361.869 4.693 0 40 FJAB C[C@@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1 13597210 MCSTWWVLDYGQNW-OAHLLOKOSA-N 361.470 4.637 0 40 FJAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1Cl 14654402 LIFWKFJYRRRSKU-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccc(Cl)cc2)c1Cl 14704459 LWSQRAFOPFTDFL-UHFFFAOYSA-N 366.031 4.634 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1 21800681 YESHGQZFJVIIMN-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(COc2ccccc2)o1 23656519 BNVNGTHUBQCNMK-UHFFFAOYSA-N 373.811 4.923 0 40 FJAB Cc1nc(NC(=O)c2cccs2)sc1-c1nc(-c2cccs2)no1 31815144 FACHFVSDLBFHLF-UHFFFAOYSA-N 374.472 4.544 0 40 FJAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(Cl)s1 33192458 AOQRXBCYESGUNV-ZETCQYMHSA-N 362.651 4.794 0 40 FJAB CC(C)[C@@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1cccs1 39983339 RAUCFDPRAFWQTN-FZKQIMNGSA-N 373.547 4.932 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1OC 44902931 XBUXGUWADSVIAN-AWEZNQCLSA-N 367.470 4.976 0 40 FJAB CCOc1ccc([C@H]2CCCN2CC(=O)N(CC)c2ccccc2C)cc1 58029508 VOPCRLRZMJNYFB-JOCHJYFZSA-N 366.505 4.584 0 40 FJAB O=c1[nH]c(COc2ccc(Cl)cc2)nc2sc(-c3ccccc3)cc12 63579579 CIKKMSVKHIJSTF-UHFFFAOYSA-N 368.845 4.884 0 40 FJAB COc1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c2ccccc12 65419178 VXARLCWIAOFECJ-IBGZPJMESA-N 365.404 4.631 0 40 FJAB O=C(C1CCCC1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349646 MIPHJEGETMLVDD-UHFFFAOYSA-N 366.480 4.708 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cccc(C(F)(F)F)c1 89212791 RGNKXFLDPNFWRM-OAHLLOKOSA-N 358.404 4.907 0 40 FJAB O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 96097248 YXKVYOPSESUUAF-HNNXBMFYSA-N 364.228 4.593 0 40 FJAB O=C(COc1ccc(Cl)cc1)NCc1ccccc1-c1ccsc1 96122897 WDCANBRCQFQHDJ-UHFFFAOYSA-N 357.862 4.764 0 40 FJAB Cc1ccccc1NC(=O)[C@@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 100641867 DHKHUMVXSHDOJM-DNQXCXABSA-N 371.484 4.906 0 40 FJAB O=C(C[C@@H]1CCOc2ccccc21)Nc1scnc1-c1ccccc1 117638101 DGOHTILZHGDLNW-HNNXBMFYSA-N 350.443 4.705 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 216316238 SYFPBDQPDZOUFV-NRFANRHFSA-N 373.468 4.519 0 40 FJAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 223931155 KSJNWMZOGDDCGC-GOSISDBHSA-N 369.505 4.563 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 224190678 OOHHEBGOILKGBK-ZWKOTPCHSA-N 351.500 4.629 0 40 FJAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc2ccccc2c1 225094818 ZEAWZVVBNQPUMD-GOSISDBHSA-N 360.331 4.933 0 40 FJAB COc1ccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)cc1 225359208 GLLOLNFOFUGFQW-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB O=C(Cc1ccccc1Cl)NCCSCc1ccccc1Cl 225434925 QOLBCTBSAXWTGU-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB Cc1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1Br 225717770 KLYGYAHEOPRDMX-UHFFFAOYSA-N 374.278 4.654 0 40 FJAB O=C(N[C@@H](c1ccsc1)c1cccs1)C1(c2ccc(F)cc2)CC1 390827091 TWSSEXJVTCYBPS-KRWDZBQOSA-N 357.475 4.886 0 40 FJAB COc1ccccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408618596 DMKXLYGIAUTNNU-UHFFFAOYSA-N 370.861 4.629 0 40 FJAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)O1 409005247 SYSCEXWFBLPDKJ-LICLKQGHSA-N 355.821 4.817 0 40 FJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(F)cc1)N2 409190995 XXNFAPJIAAFYCR-LSTHTHJFSA-N 355.409 4.637 0 40 FJAB O=C1CC[C@@]2(CCCN(CCc3ccccc3)CC2)N1CC1CCCCC1 585099955 AUQYKOLSJRJCGD-XMMPIXPASA-N 368.565 4.657 0 40 FJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N(C)C)cc2)cc1 634896 GDRTYQKADWYZJQ-JOCHJYFZSA-N 357.457 4.832 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 683035 NDMCNUUFLVSHKZ-KRWDZBQOSA-N 359.425 4.632 0 40 FJAB CC(C)c1nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2n1 1342900 XEOYPQIJEMVTIO-GJZGRUSLSA-N 357.523 4.635 0 40 FJAB CC(C)CN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1Cl)C2 1369541 ODLCYGHWFZPPJW-HOTGVXAUSA-N 365.974 4.668 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 1596308 NGSFNIFEQKYBGT-UHFFFAOYSA-N 351.638 4.723 0 40 FJAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2NC)cc1 1839604 UBEXXSNHIYKNTH-UHFFFAOYSA-N 351.903 4.663 0 40 FJAB CCCSc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 2352014 QILFCOPEDJHDCR-UHFFFAOYSA-N 363.295 4.991 0 40 FJAB CC1(C)COC(CCCCC(=O)c2ccccc2Br)OC1 2518044 KPZZKXOUXDGWRY-UHFFFAOYSA-N 355.272 4.591 0 40 FJAB CCOC(=O)c1cccc(Oc2ncnc3sc4c(c23)CCCC4)c1 2679230 IDPOFRICOKJVJB-UHFFFAOYSA-N 354.431 4.539 0 40 FJAB O=C(COc1ccccc1)Nc1nc2c(Cl)c(Cl)ccc2s1 2713983 DHZHEDLEUWBMLI-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB Cc1ccc(COc2cccc3c2CCN(Cc2ccccc2)C3=O)cc1 2716321 ZMZLGCFXNFRARD-UHFFFAOYSA-N 357.453 4.773 0 40 FJAB CCCCCn1c([C@@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 2721368 ISXSMOAPRHDTFH-OAHLLOKOSA-N 353.441 4.857 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cccnc1Cl 3301932 WHMXVIFUQCJBRP-UHFFFAOYSA-N 374.868 4.777 0 40 FJAB Cc1ccccc1CS[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3380388 XTQSYTTVDLUZHM-LLVKDONJSA-N 355.290 4.957 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 3603190 MQYCFHAEULFIAO-SNVBAGLBSA-N 358.652 4.731 0 40 FJAB Cc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)O)c2c1 4206897 RRSWERNCECUOJF-UHFFFAOYSA-N 358.235 4.923 0 40 FJAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 4616490 NZCPVIOFBBBXEU-BZZOAKBMSA-N 370.408 4.926 0 40 FJAB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1 5356878 YRPXZIYVLHHVQQ-UHFFFAOYSA-N 374.223 4.890 0 40 FJAB CCCCC[C@@H](C)NCCOC(=O)C(c1ccccc1)c1ccccc1 5550819 VVSTZAZDPBEQSC-LJQANCHMSA-N 353.506 4.920 0 40 FJAB Cc1cccn2cc(CSc3nnc(Nc4ccccc4)s3)nc12 6465845 ZUVMCQYPZJOYFC-UHFFFAOYSA-N 353.476 4.530 0 40 FJAB Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc2n1C 7342956 POXDRFUXJUQHKH-WQRHYEAKSA-N 363.442 4.581 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1sccc1C 9204659 UESXCXXMHJBORR-UHFFFAOYSA-N 355.459 4.891 0 40 FJAB Cc1ccn2cc(-c3ccc(NC(=O)CCCc4ccccc4)cc3)nc2n1 9572110 REFNFYYAFVQCOT-UHFFFAOYSA-N 370.456 4.666 0 40 FJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Cl)cc(Cl)c1 11083335 ROMCVDWVGAXXTB-UHFFFAOYSA-N 374.271 4.510 0 40 FJAB CC(=O)Nc1ccc(SCC(=O)c2cc(Cl)sc2Cl)cc1 12761604 HPEKLMYCABGRFC-UHFFFAOYSA-N 360.287 4.988 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC=C(c2ccccc2)CC1 12890090 MPHIFQXATZJZEK-UHFFFAOYSA-N 355.865 4.813 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)c(F)c3)o2)cc1C 12904454 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369.461 4.701 0 40 FJAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccc2ccccc2c1 20611360 UXQZTXRWEZXDDY-UHFFFAOYSA-N 360.442 4.503 0 40 FJAB CCc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 20898191 RDPWNMBEBAOZPN-UHFFFAOYSA-N 369.852 4.914 0 40 FJAB Cc1ccc(C2(C(=O)Nc3ccc(Br)c(C)n3)CCCC2)cc1 30822836 XPRNPQREOPVTJO-UHFFFAOYSA-N 373.294 4.911 0 40 FJAB O=C(Nc1cccc(Cn2cccn2)c1)C1(c2cccc(Cl)c2)CCC1 32469393 KCSYWLMPQHYXGK-UHFFFAOYSA-N 365.864 4.645 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 32992719 MWSFBLRLFXFGTE-UHFFFAOYSA-N 374.412 4.723 0 40 FJAB COc1cc(CNc2cccc(C)c2C)cc(Br)c1OC 36815617 OLVLTRRSCAVOPI-UHFFFAOYSA-N 350.256 4.695 0 40 FJAB C[C@H]1CCN(C(=O)c2ccc(Br)cc2F)[C@@H]2CCCC[C@H]12 37501966 FQIVCERLPVIKBJ-NORZTCDRSA-N 354.263 4.629 0 40 FJAB COc1ccc([C@H]2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 38566691 NHRRXGMHQZQICQ-QHCPKHFHSA-N 371.480 4.921 0 40 FJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1Cn1cccn1 40152272 XKLSGMPNJMVIHT-OAQYLSRUSA-N 360.461 4.609 0 40 FJAB CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)c(C)c1 44856553 YCUOZQKVOIBLKN-QFIPXVFZSA-N 350.506 4.780 0 40 FJAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 44909771 LHDJCKWCWOVCLB-FQEVSTJZSA-N 364.533 4.590 0 40 FJAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72213496 IXCZFSKNFMMGRP-LPHOPBHVSA-N 353.466 4.766 0 40 FJAB COc1ccc(Cc2nnc(S[C@H]3CCc4ccc(F)cc43)o2)cc1 72312859 CFKYHOJLTWQKCH-KRWDZBQOSA-N 356.422 4.588 0 40 FJAB COc1ccc(NCc2ncc(-c3ccc(Br)cc3)o2)cc1 72911246 CFMZCFAZZHJEBN-UHFFFAOYSA-N 359.223 4.725 0 40 FJAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccsc1)SCC(O)=N2 79479211 DIFWHENPJGEMEV-OAHLLOKOSA-N 363.508 4.557 0 40 FJAB COc1ccc(CSCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 223433406 FKFSOUAAWZVFKT-UHFFFAOYSA-N 363.482 4.819 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224893625 GRDCBDVTBNHLOS-INIZCTEOSA-N 367.367 4.998 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224916458 KJTJLQLCOBBCDB-QGZVFWFLSA-N 366.505 4.990 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225012419 AJLWQKROIKFWEG-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB CC(C)c1ccccc1O[C@@H](Cc1cccc(Br)c1)C(=O)O 225063607 FCTWUGUFGQAIKT-KRWDZBQOSA-N 363.251 4.647 0 40 FJAB Cc1ccc(CNC(=S)Nc2c(C)cc(Br)cc2C)cc1 225192793 WCPJPNAFWZAHKB-UHFFFAOYSA-N 363.324 4.861 0 40 FJAB COc1cccc(CCCNC(=O)CCc2ccc(Cl)cc2Cl)c1 225376903 ZJFJOBOZFDRRMJ-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(C(C)(C)C)ccc1O2 225818463 JATOFONPSPWRGB-UHFFFAOYSA-N 373.493 4.719 0 40 FJAB Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OC3CSC3)cc2)cc1 225943054 FCNTYOAQIBPSBU-UHFFFAOYSA-N 355.503 4.697 0 40 FJAB CCOC(=O)c1ccc(OC(=O)c2cccc3ccccc23)c(OCC)c1 226305926 VLANUMPMDRUFDN-UHFFFAOYSA-N 364.397 4.634 0 40 FJAB Fc1ccccc1Cc1cnc([C@H]2CCCN2Cc2ccccc2F)o1 257264313 LTWDTNPLKXMFLI-HXUWFJFHSA-N 354.400 4.881 0 40 FJAB CC1(C)C[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2N1c1cccc(F)c1 1615129407 MLLNFHMSZMBAQU-UTKZUKDTSA-N 356.460 4.844 0 40 FJAB Cc1nc(SCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 934429 FXBHPXHQLJAGRI-UHFFFAOYSA-N 370.499 4.900 0 40 FJAB CC(=O)COc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 957159 METOAUFNGFQJGS-UHFFFAOYSA-N 360.365 4.706 0 40 FJAB Brc1cccc(-c2cn3cc(Br)ccc3n2)c1 1291505 XOVNLWBLHHYOIU-UHFFFAOYSA-N 352.029 4.526 0 40 FJAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccc(Oc2ccccc2)cc1 1473162 OAJAJQSGTHDMAI-OSPHWJPCSA-N 373.452 4.907 0 40 FJAB Cc1cccc(C)c1N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 2066740 IBVIYUQOWXYEGG-AWEZNQCLSA-N 351.705 4.574 0 40 FJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)cc1C 2325119 JINFLYRYELSUKP-QGZVFWFLSA-N 364.489 4.593 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 2723662 YKQCTIAGYJTWDP-UHFFFAOYSA-N 357.866 4.565 0 40 FJAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NC1CCCCC1 3655903 LXYWHDBILJHRQG-UHFFFAOYSA-N 366.505 4.853 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)o1 4174156 YVGYNTRCNOQCAD-UHFFFAOYSA-N 369.265 4.788 0 40 FJAB CCOc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1 4355945 IIHKWCVJZRZALO-UHFFFAOYSA-N 350.443 4.517 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 5400996 RWOXTXYOYMHQFH-LBPRGKRZSA-N 366.490 4.644 0 40 FJAB Cc1[nH]c2c(C)ccc(C)c2c(=O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 5800608 NAUAUTBUVZYDHK-SBUREZEXSA-N 352.522 4.854 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(Cl)cccc2s1 7977478 SORIVYJZYOLYMU-UHFFFAOYSA-N 359.834 4.968 0 40 FJAB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 8191323 HMYKZHCRMUWGOF-UHFFFAOYSA-N 359.422 4.598 0 40 FJAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 8193285 ZIYCWQHNNIXPGY-UHFFFAOYSA-N 374.488 4.813 0 40 FJAB CCOCCCNCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8395595 CLFCCNLLBSCUOZ-UHFFFAOYSA-N 369.896 4.709 0 40 FJAB CCCOC(=O)c1ccc2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8717205 CNKIHMDLKSWYNH-UHFFFAOYSA-N 370.493 4.580 0 40 FJAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2F)nc1Cc1ccccc1 8719818 KOJZDRFYNFKSQH-AWEZNQCLSA-N 369.465 4.567 0 40 FJAB O=C(Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)c1ccco1 10805366 WKYQYKXBKZYOLP-UHFFFAOYSA-N 374.318 4.803 0 40 FJAB COc1c(Cl)cc(C(=O)N2CCCOC23CCCCC3)cc1Cl 12389179 YCMSZHPLKWLSND-UHFFFAOYSA-N 358.265 4.525 0 40 FJAB O=C(COc1ccccc1)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 12865727 YNUXEPWVPQMDBT-QFIPXVFZSA-N 363.482 4.521 0 40 FJAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 13390750 OZIOVMCPGCDIMU-UHFFFAOYSA-N 361.397 4.525 0 40 FJAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3Cl)c2C1 14085418 TZYYVIFBSFVRNU-UHFFFAOYSA-N 365.864 4.519 0 40 FJAB CC(=O)c1sc(NC(=O)C2(c3ccccc3)CC2)nc1-c1ccccc1 14657483 MXAKAVVYZDWUQS-UHFFFAOYSA-N 362.454 4.683 0 40 FJAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN23)cc1 16524643 OPCTUTHLNXVMSD-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB COc1cccc(-n2c(/C=C\c3ccccc3C)nc3ccccc3c2=O)c1 17118337 KDOGTTWDUUZZCR-PFONDFGASA-N 368.436 4.873 0 40 FJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 20451254 PNGOJVUUINSTBX-QFIPXVFZSA-N 363.457 4.712 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCSc1ccc(C)cc1 20493917 RPARINMEUBXRQR-UHFFFAOYSA-N 351.471 4.679 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3ccccc3OC(F)F)c2)cs1 23135378 KMSCMXZDDZBGQJ-UHFFFAOYSA-N 360.385 4.972 0 40 FJAB Cc1ccc(C)c(Nc2nc(Nc3ccc(F)cc3)nc3c2cnn3C)c1 27666421 PVSFXAAVGNWWMP-UHFFFAOYSA-N 362.412 4.606 0 40 FJAB C[C@H](NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1 40096766 FHUILMHLRRCJAQ-LURJTMIESA-N 364.701 4.918 0 40 FJAB CCCCCCn1c(S[C@@H](C)c2nnc(C)o2)nc2ccccc2c1=O 48186881 XARNOMBYHRBMJR-ZDUSSCGKSA-N 372.494 4.522 0 40 FJAB O=C(c1ccc(Br)s1)N1CCCSc2ccccc21 48365663 QGWSLFYVLNUMSS-UHFFFAOYSA-N 354.294 4.653 0 40 FJAB Clc1ccc(-c2nc(CN(Cc3ccco3)Cc3ccco3)no2)cc1 48374718 JXXMJEHWIPEFSV-UHFFFAOYSA-N 369.808 4.778 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 57992567 JAIVSYDTKWUVTG-LSDHHAIUSA-N 353.491 4.543 0 40 FJAB COc1ccc(-c2nc(C(=O)N3C[C@@H](C)c4ccccc43)cs2)cc1 76338334 AEUWEVUJLOJKJA-CYBMUJFWSA-N 350.443 4.583 0 40 FJAB Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1COc2ccccc21 89517380 OYTOMXNSICLWAG-KSSFIOAISA-N 350.487 4.827 0 40 FJAB COC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1C 96191594 YQAUCRGKMHBPPZ-UHFFFAOYSA-N 351.427 4.818 0 40 FJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=C[C@H]2C1=C1CCCCC1 102681824 WUYKWGBQZCUCIQ-CAMMJAKZSA-N 353.849 4.522 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N1CCS[C@@H](c2ccccc2)CC1 208040733 MFUXXGPODUYNHS-HXUWFJFHSA-N 364.470 4.662 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc2c(c1)CCCC2 223095842 ZBIOUWKQRWTDRX-UWJYYQICSA-N 351.490 4.909 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1 224691276 RXPKUMRKHCCVHZ-UHFFFAOYSA-N 359.347 4.797 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CCCc2ccccc21 225066049 UVLAZNKTJMFOJQ-PKTZIBPZSA-N 363.501 4.917 0 40 FJAB CCOC(=O)c1cc(NC(=S)NC2(CC)CCCC2)ccc1Cl 225866282 LMGKIBFWYPJSRO-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB O=C(NC1(c2cccs2)CCCC1)c1ccccc1Br 390826628 AXFSZMSUTDMPAY-UHFFFAOYSA-N 350.281 4.710 0 40 FJAB COc1cc(COc2ccccc2C(=O)O)ccc1OCc1ccccc1 408539238 GFJNLRFNAANUHX-UHFFFAOYSA-N 364.397 4.551 0 40 FJAB O=C(C1CCCCC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 592780851 QKVQKDREPCGGEN-MRXNPFEDSA-N 360.256 4.613 0 40 FJAB COc1ccc([C@@H](NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1 604419208 MRFBBNCBHQSKOC-FQEVSTJZSA-N 351.450 4.706 0 40 FJAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ncccc1OCc1ccccc1 616224023 PFBMFBGITBBIPN-YLJYHZDGSA-N 372.415 4.815 0 40 FJAB Fc1ccc([C@H]2CCc3nnc(-c4cccnc4)n3-c3cc(F)ccc32)cc1 702123 LIOUWBIBAYQJIE-GOSISDBHSA-N 374.394 4.686 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 985708 BWOUDYQVIMSELR-UHFFFAOYSA-N 370.543 4.887 0 40 FJAB CCOc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 2296842 ZMCMCPJYQRADAW-QFIPXVFZSA-N 361.441 4.613 0 40 FJAB C[C@@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 4073600 ORYWHTWXSGORLG-ORJKNLTESA-N 371.521 4.505 0 40 FJAB biogenic CC(=O)N1c2ccccc2[C@@H](N(C(=O)C(C)C)c2ccccc2)C[C@H]1C 4598855 OWUNBKRJRXZEAY-IERDGZPVSA-N 350.462 4.562 0 40 FJAB Cc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1Cl 4881770 SSQGQWAKMVDAEN-UHFFFAOYSA-N 363.642 4.557 0 40 FJAB CN1c2ccccc2C(C)(C)[C@@]12CC(c1cccc(OC(F)F)c1)=NO2 5525862 TZPGRNDZNACTJD-FQEVSTJZSA-N 358.388 4.536 0 40 FJAB C[C@@H]1CCN(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc2S1 5628265 RRMSQPHRPGJQOZ-CYBMUJFWSA-N 369.515 4.573 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2ccc(C)c(C)c2)cc1Cl 5689623 NOZYWMNFEXJCOA-UHFFFAOYSA-N 350.871 4.783 0 40 FJAB COc1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)cc(Cl)c2c1 6049205 DUZKSIRDQSLTFB-DUXPYHPUSA-N 353.805 4.838 0 40 FJAB COC(=O)c1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1 6542359 IOVAAFWZYGGNDN-UHFFFAOYSA-N 360.409 4.601 0 40 FJAB CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 7605114 BELRGRVAAOJKBO-UHFFFAOYSA-N 359.838 4.641 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3F)s2)cs1 7821755 LVZDEBBBGLDTMM-UHFFFAOYSA-N 366.870 4.903 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 8156646 NXLPTQVVIAJSFH-FQEVSTJZSA-N 370.880 4.663 0 40 FJAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cc(Cl)cc(Cl)c1O 8642179 WWFGDXMRTHHGOV-MOKCJYBKSA-N 360.196 4.709 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 9140454 HNIKOVGSENWRGE-UHFFFAOYSA-N 353.274 4.683 0 40 FJAB COc1ccc(SCCC(=O)Nc2ccc(OC)c3ccccc23)cc1 10219607 SSBGLTRBHOSWCY-UHFFFAOYSA-N 367.470 4.978 0 40 FJAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H](C(F)(F)F)C4)cc3c2C1 10285240 IIJWBSVNEMEXOM-GXTWGEPZSA-N 364.411 4.707 0 40 FJAB CCc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1 10369376 DHAFNLGYFUZGGU-UHFFFAOYSA-N 361.938 4.885 0 40 FJAB CCCCOc1cc2oc(N)c(-c3nc(C)cs3)c(=O)c2cc1CC 11867288 DSDOEHLDTZUDOT-UHFFFAOYSA-N 358.463 4.548 0 40 FJAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 12538835 WNJXOTJUVXDSMR-MRXNPFEDSA-N 367.880 4.555 0 40 FJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccccc3)s2)cc1 12981066 QHHPTDGYLQZEEQ-PTNGSMBKSA-N 371.849 4.536 0 40 FJAB CN1[C@H]2CC[C@@H]1[C@@H](C(=O)Oc1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 13532669 AAEKULYONKUBOZ-NBYUQASBSA-N 355.865 4.512 0 40 FJAB in-vitro Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 13723696 NQMSPSLWZOUBJO-UHFFFAOYSA-N 372.325 4.949 0 40 FJAB C/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 13801985 PYXCTYZMBQDXCZ-KAMYIIQDSA-N 356.878 4.929 0 40 FJAB CN(Cc1cccs1)C(=O)c1ccccc1OCc1ccc(F)cc1 14183369 FJDHTZKGEUECLU-UHFFFAOYSA-N 355.434 4.738 0 40 FJAB CCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 16161568 MDAZBVYKXAYPKS-UHFFFAOYSA-N 370.456 4.798 0 40 FJAB CCN1CCC[C@H]1CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 19796846 SYNLLDGNRQTWFC-AWEZNQCLSA-N 353.293 4.827 0 40 FJAB Clc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)o1 19928086 BZTXSGYEYTVWTM-UHFFFAOYSA-N 370.821 4.732 0 40 FJAB CC(C)C(NC(=O)c1ccc(CN2CCc3ccccc32)cc1)C(C)C 20481168 ATHBTYBMFKGQSI-UHFFFAOYSA-N 350.506 4.660 0 40 FJAB O=C(OCc1ccc(Cl)nc1)c1ccccc1SCc1ccco1 26816093 JLAZEYBDNQOSML-UHFFFAOYSA-N 359.834 4.977 0 40 FJAB O=C(c1cc(Br)ccc1F)N1CCCSc2ccccc21 32676008 NBWQBWJQMUSDAH-UHFFFAOYSA-N 366.255 4.731 0 40 FJAB Cc1nc(C(C)C)sc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 32924131 AFDKDCHVJWGBPW-UHFFFAOYSA-N 356.413 4.866 0 40 FJAB c1ccc2sc([C@H]3CCCN3Cc3ccc(-n4cccn4)cc3)nc2c1 37122293 YHUQJBMDOLTRRG-LJQANCHMSA-N 360.486 4.819 0 40 FJAB CCCCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 38536763 ZHSRGUQIRDTOGP-UHFFFAOYSA-N 354.479 4.620 0 40 FJAB O=C(Nc1cccc2ccccc12)C1CCN(Cc2ccc(F)cc2)CC1 39763146 UDBTYGRXTYPXHB-UHFFFAOYSA-N 362.448 4.830 0 40 FJAB c1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4nccnc34)C2)cc1 72314678 LJOWIZCHUXTYRI-QFIPXVFZSA-N 350.425 4.986 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357742 MNOIKIXVAKPTLY-HSZRJFAPSA-N 374.459 4.718 0 40 FJAB c1ccc(CCN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)cc1 72375141 QPMGTRIEMHGROA-GOSISDBHSA-N 350.491 4.661 0 40 FJAB COc1cccc(Oc2ccc(NC(=O)c3cccnc3Cl)cc2)c1 73742515 NOHUKCJBRCFNOD-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB Cc1cccc(-n2ncc(C(=O)NC3CCCCCC3)c2C(F)(F)F)c1 95946819 VECCVVJKAUYPOQ-UHFFFAOYSA-N 365.399 4.652 0 40 FJAB CC(C)[C@@H](O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509798 RZZGJSRQKZLDSJ-OAHLLOKOSA-N 368.271 4.876 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2c(Cl)cccc23)c1 101170073 PJRBAVHSBAOYNV-QFBILLFUSA-N 358.894 4.891 0 40 FJAB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c1OC 102732741 QSMJSTIENDIQGP-KRWDZBQOSA-N 368.433 4.850 0 40 FJAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1cccc2ccccc12 109541038 FVROXUSZVDABID-UHFFFAOYSA-N 364.408 4.802 0 40 FJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 141556047 OZYLJDRMUBLFJF-UHFFFAOYSA-N 363.505 4.525 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 219516583 PBOYWEOBHYUQQB-LJQANCHMSA-N 369.505 4.609 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C3CCCC3)N21 222686716 ZZKFFDLDWJJNJZ-UIAACRFSSA-N 366.534 4.978 0 40 FJAB COc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)c(OC)c1 223130922 AEHZBFJMNNZMJB-UHFFFAOYSA-N 364.426 4.719 0 40 FJAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1 224083539 CGGFUHZFMCICIE-UHFFFAOYSA-N 365.473 4.895 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 224171591 RZSZJTVVEHVQEI-XLIONFOSSA-N 355.478 4.655 0 40 FJAB Cc1cccc(CSCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224893180 OHRLWPMEBGHABO-UHFFFAOYSA-N 355.381 4.766 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccccc3Cl)ccc21 225169614 BPBCQRUJJKSWQM-UHFFFAOYSA-N 374.893 4.869 0 40 FJAB O=C(c1ccccc1NC(=S)Nc1ccc(Cl)cc1)N1CCCCC1 225465019 OXTNUWWBBXFHCG-UHFFFAOYSA-N 373.909 4.775 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 225469422 ZFURCXCAEMVBFB-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB Cc1cc(C)nc(N2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)n1 257295542 QYTPABLQUXFIBO-OAQYLSRUSA-N 362.452 4.560 0 40 FJAB CC1=Nc2ccccc2OCCOCCOc2ccccc2/N=C(\C)C1 257345394 AXMDYDPFLMFTDD-LKRQWNMRSA-N 352.434 4.750 0 40 FJAB O=C(Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408698219 MIDOPAJDNIXWPA-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@](O)(c2ccc(F)cc2)C1 1616691723 QRXVMMUPDDXBRU-KPZWWZAWSA-N 354.252 4.787 0 40 FJAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)cc1 863009 HSWOEAHJPFJNPL-UHFFFAOYSA-N 353.425 4.535 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc2c1C 1342901 GKLWKGVUCXVXHW-UHFFFAOYSA-N 353.491 4.521 0 40 FJAB FC(F)(F)c1nnc2c(SCc3ccccc3)nc3ccccc3n12 1388164 RRJDNWFCIYUQJS-UHFFFAOYSA-N 360.364 4.589 0 40 FJAB CC(=O)Oc1c(Br)cc(Br)cc1-c1ccccc1 1621394 IFFHOYBOWBIWAR-UHFFFAOYSA-N 370.040 4.804 0 40 FJAB COc1cc2c(cc1C(C)=O)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@@H]1CC2 4023567 OVPJRYHYLMZUJV-GTRAWVPRSA-N 370.489 4.686 0 40 FJAB biogenic COc1ccc([C@]2(C)c3ccccc3C(=O)C(C)(C)[C@@]2(C)CC(=O)O)cc1 5064446 DSSXQPRTMCFSOF-DHIUTWEWSA-N 366.457 4.705 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 7782460 PNPXEBURCSBVQF-GFCCVEGCSA-N 374.412 4.803 0 40 FJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1ccccn1 8212783 MSEYVDCHUAYNIH-UHFFFAOYSA-N 372.877 4.746 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(OC)c(OC)c1 8382791 IJSPHCVMAIDAFT-UHFFFAOYSA-N 351.402 4.508 0 40 FJAB CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2Cc2cccnc2)CO1 8643686 UYRSQSAGKUOXRO-UHFFFAOYSA-N 363.486 4.574 0 40 FJAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccccc1OC(F)F 8708203 CIEPDQRYSMEILQ-MDZDMXLPSA-N 355.287 4.541 0 40 FJAB Cc1c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)oc2ccccc12 8752592 QCYBOWCTHKDROQ-UHFFFAOYSA-N 368.820 4.774 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3Cl)ccc21 9136787 LKJVHMJPBMMDDG-UHFFFAOYSA-N 374.843 4.811 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1ccco1 9578924 CHBLXHBECHVXRB-HNNXBMFYSA-N 374.893 4.694 0 40 FJAB C[C@@H]1c2ccsc2CCN1Cn1nc(/C=C/c2ccccc2)[nH]c1=S 12819802 SYUIEMVCDZANLL-HSBSLETESA-N 368.531 4.749 0 40 FJAB Cc1ccc(CSc2nc(=O)n(-c3cccc(C)c3)c3c2CCC3)cc1 15840547 VEBUTXWKJQLYQI-UHFFFAOYSA-N 362.498 4.630 0 40 FJAB COCCn1c(SCCOc2ccccc2Cl)nc2ccccc21 15860709 LBKQHNMMGMDKMO-UHFFFAOYSA-N 362.882 4.507 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 16489417 KQTVBQHFGQSSLJ-UHFFFAOYSA-N 374.271 4.922 0 40 FJAB Cc1ccc(CN(Cc2ccncc2)Cc2cccn2-c2ccncc2)cc1 19210177 UCKJPGSDVKCHIF-UHFFFAOYSA-N 368.484 4.778 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1F 20489596 ZUOTZYHBSHGVFE-LLVKDONJSA-N 366.230 4.557 0 40 FJAB O=C(NCCc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 22258278 PVJFYFFCRSXNMM-UHFFFAOYSA-N 365.860 4.892 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22606201 CNRASQMKPAYPAZ-DVQDXYAYSA-N 353.462 4.520 0 40 FJAB O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccccn1 49301366 SBFRADNFPSJAPI-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB O=C(NCc1ccccn1)Nc1cccc(-c2nc3ccccc3s2)c1 53247440 PFQVCPHKJIJWGS-UHFFFAOYSA-N 360.442 4.680 0 40 FJAB CN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1SCC(F)(F)F 57265131 IVRCBVULOJCCPT-UHFFFAOYSA-N 370.396 4.711 0 40 FJAB O=C(NC1CCCCCC1)c1ccc(C(=O)NC2CCCCCC2)s1 60601019 UNNIFHROMIQPTO-UHFFFAOYSA-N 362.539 4.653 0 40 FJAB O=C(Cc1ccc2ccccc2c1)N[C@H](c1ccccc1)c1ccncc1 69727577 PXLABVYUQOMEMT-XMMPIXPASA-N 352.437 4.683 0 40 FJAB Clc1ccccc1Cc1cccc([C@H]2CCCN2C2CCOCC2)n1 72358161 XXUDICWLNLEGHV-OAQYLSRUSA-N 356.897 4.642 0 40 FJAB COc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)cc1 96047191 KMICREQIVBOVOJ-UHFFFAOYSA-N 370.562 4.635 0 40 FJAB Cc1cccc(C)c1N1C(=S)N[C@@H]2C[C@]1(C)Oc1c(Cl)cccc12 101170178 BEHMPDPUVFKUJY-BEFAXECRSA-N 358.894 4.891 0 40 FJAB C[C@@H]1CCN(C(=O)c2csc(-c3ccncc3)n2)c2ccccc2S1 162572282 JJBYCZXIKVLAGL-CYBMUJFWSA-N 367.499 4.736 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSc1ccccc1 223009152 DPXCHOAOUGGFTR-SFHVURJKSA-N 363.910 4.714 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223073227 XXNPJGUBXHGBDD-QVKFZJNVSA-N 355.453 4.739 0 40 FJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC4CC4)CCOCC3)cc2)c1 257335954 YMNYGKWHOZGCJR-UHFFFAOYSA-N 363.501 4.588 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(F)cc1 408562634 RBAPBZWEDHAPOR-XDOYNYLZSA-N 354.450 4.679 0 40 FJAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(F)cc3)sc2C)c1 408836464 RMEFCPSPZLRBLX-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1csc(-c2cccc(F)c2)n1 605366266 UGCFLIUASBHXNT-HBUWYVDXSA-N 358.482 4.671 0 40 FJAB Oc1cccc(CNC2(Cc3ccccc3Br)CC2)c1Cl 1308416859 HZSRJHULWSJMIB-UHFFFAOYSA-N 366.686 4.673 0 40 FJAB CC(C)(C)OC(=O)N(Cc1cc(Cl)ccc1C=O)C(=O)OC(C)(C)C 2362803838 RKQOHSYAFBUMRN-UHFFFAOYSA-N 369.845 4.825 0 40 FJAB O=C(Oc1cccc2c1Oc1nc3ccccc3nc1O2)c1ccccc1 983991 GBCRLSGFMPLVFW-UHFFFAOYSA-N 356.337 4.747 0 40 FJAB Cc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1C 1465940 OWFHWJOLBTYYSX-UHFFFAOYSA-N 357.442 4.709 0 40 FJAB Cc1ccc(C)c(NP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1 2291234 RONVBXSVRSDVPP-UHFFFAOYSA-N 365.210 4.981 0 40 FJAB COc1ccc(-c2nnc(SC(C)C)n2C2CCCCC2)cc1OC 2620851 VCEQSZWPHUKAAB-UHFFFAOYSA-N 361.511 4.968 0 40 FJAB CCCCCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 2721369 ISXSMOAPRHDTFH-HNNXBMFYSA-N 353.441 4.857 0 40 FJAB CCOC(=O)c1c(NC(=O)OCc2ccccc2)sc2c1CC[C@@H](C)C2 3245424 XCTJCKHFKASOGE-CYBMUJFWSA-N 373.474 4.798 0 40 FJAB Cc1cc(NC(=O)c2ccccc2Br)ccc1Br 3387729 UWFAWEPRLJOJMB-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@H](C)C3=O 3870583 HQVBDUZROQMWRN-NWDGAFQWSA-N 368.429 4.529 0 40 FJAB biogenic O=C(c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)C(F)(F)F 4025530 BGLYZDBYUNVEAW-UHFFFAOYSA-N 350.365 4.687 0 40 FJAB CC[C@@H](C)Sc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079425 DEAVYRXCNSSHPG-MRVPVSSYSA-N 361.414 4.700 0 40 FJAB Cc1cccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)c1 4926570 RRTIVWUQFFEWJN-UHFFFAOYSA-N 356.422 4.939 0 40 FJAB Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2C)c(C)c1 4935853 WOJAIDUJTUPKRJ-UHFFFAOYSA-N 360.421 4.734 0 40 FJAB Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccc(Cl)cc1 5033621 NCUFKKVJAMVHEH-UHFFFAOYSA-N 361.873 4.798 0 40 FJAB COc1ccc(/C=C/C(=O)NC(C)(C)Cc2ccc(Cl)cc2)cc1OC 5905056 LGNIDCIMJMRRRA-XYOKQWHBSA-N 373.880 4.508 0 40 FJAB CCCOc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1OCC 6652251 LLXLHUWBIXCJJZ-KRWDZBQOSA-N 371.502 4.841 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(OCC)c(OCC)cc2Cl)C1=O 6655958 NUBPKTGEEJIASV-OQLLNIDSSA-N 369.870 4.584 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1Br 6922560 PBCSCFPUHRXEKP-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB Cc1cccc(C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 7409040 SNTCZFBMMZLSHG-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB Cc1cc(C)cc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c1 7909651 XXUJUOICGOMFGQ-SFHVURJKSA-N 365.502 4.689 0 40 FJAB COc1ccc2cc(CN(C)C(=O)COc3cccc(C)c3C)ccc2c1 8360890 YKXDRKACGSMPEX-UHFFFAOYSA-N 363.457 4.503 0 40 FJAB CCCc1cc(NCCc2ccccc2)n2nc3nc(C)cc(C)c3c2n1 8843997 NLVVBBSIKBYYHI-UHFFFAOYSA-N 359.477 4.501 0 40 FJAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c1 9660036 NKYYMGHNMNXUFA-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic COc1ccc(Nc2cc(C)nc(COc3ccccc3Cl)n2)cc1 10327196 HZFSQSBRUIEURX-UHFFFAOYSA-N 355.825 4.770 0 40 FJAB O=C(NCc1ccccc1)Nc1cccc(-c2nc3cccnc3s2)c1 11694525 WZDWOYIOBCKXQM-UHFFFAOYSA-N 360.442 4.680 0 40 FJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 12136940 CRUSMMQLFNEZJS-KRWDZBQOSA-N 358.441 4.738 0 40 FJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 12763131 DOTHPXSZDVXLPI-QFIPXVFZSA-N 362.498 4.643 0 40 FJAB O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)c1cccnc1 12918958 SYEFTAUYNDQXCO-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 13674052 YFGAKUOTCFTJCN-KRWDZBQOSA-N 359.535 4.949 0 40 FJAB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)cc1 17719720 RZLFPXNNOFIYDO-RCCKNPSSSA-N 354.409 4.635 0 40 FJAB C[C@@H](NC(=O)CNc1cc(F)ccc1F)c1ccc(Cl)c(Cl)c1 25894650 OFHZZADPCCOHNL-SECBINFHSA-N 359.203 4.561 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1C 27580775 GFPWDACDWHCCDU-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB COC(=O)c1c(COCc2ccc(Cl)c(Cl)c2)cccc1OC 35973497 GWZMFTVAELXLQK-UHFFFAOYSA-N 355.217 4.505 0 40 FJAB CSc1ccccc1C(=O)OCc1cc(-c2ccc(F)cc2F)on1 38757099 ONWKLNFYLWXLOE-UHFFFAOYSA-N 361.369 4.699 0 40 FJAB CC(=O)c1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)cc1 40073298 RAZWJHRFYOEYCH-UHFFFAOYSA-N 351.427 4.782 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1 40107916 BJJPGZVZFUIYQQ-QGZVFWFLSA-N 361.489 4.581 0 40 FJAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(Cl)cc1 40157583 NVWMGERLDQRNFN-UHFFFAOYSA-N 371.843 4.574 0 40 FJAB Cc1cccc(-c2csc3c(=O)n(Cc4ccc(F)cc4)cnc23)c1 44166783 CICMYWZMANPKAW-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB CCn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2cc(F)ccc21 57354804 XIKRTSHNZZSEHC-UHFFFAOYSA-N 369.783 4.531 0 40 FJAB Cc1sc(=O)n(Cc2cc(-c3cccs3)on2)c1-c1ccccc1 58296275 GOXZHRNXLSTBMP-UHFFFAOYSA-N 354.456 4.650 0 40 FJAB Cc1ccc(-c2n[nH]c(SCc3ncc(-c4cccs4)o3)n2)cc1 67428664 NIPWYKCUKOCYOQ-UHFFFAOYSA-N 354.460 4.789 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(OCc2ccccn2)cc1 71283329 GTOXIXSDRJDJTA-GOSISDBHSA-N 362.433 4.562 0 40 FJAB C[C@H]1CN(c2ccccc2NC(=O)Cc2ccc3ccccc3c2)C[C@@H](C)O1 89936864 DURCIYHQSDTEJO-HDICACEKSA-N 374.484 4.635 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1 95942255 IHAVRAGXFALCRL-QFBILLFUSA-N 370.497 4.868 0 40 FJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](C(C)C)CC(=O)O2 96115191 VBJSXOSPPSVCQX-CQSZACIVSA-N 364.397 4.517 0 40 FJAB biogenic CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222987142 JRRSAZFJIICEMB-WOJBJXKFSA-N 368.550 4.771 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(C)c1 223026925 YMJLHWUBSGOWRV-FQEVSTJZSA-N 359.897 4.863 0 40 FJAB O=C(NCCOc1ccc(Cl)cc1)/C(=C/c1ccco1)c1ccccc1 223429528 RFEAJDYCDZVAAA-HMMYKYKNSA-N 367.832 4.669 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCCOc1cccc2ccccc12 223577113 LPKJFLKBETWXJA-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB Cc1ccnc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 223914131 KQDPPWVYUZWTFA-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COCC(C)C 224739112 HETALNMIYOTTJJ-UHFFFAOYSA-N 371.477 4.827 0 40 FJAB CSc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1 224991507 OAYDFSPREYROPE-UHFFFAOYSA-N 362.303 4.540 0 40 FJAB COc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 225313515 WJKKFDKFXKXORA-UHFFFAOYSA-N 356.491 4.503 0 40 FJAB CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccc(Cl)s1 225702856 KFNFNZXGXRCWKZ-LBPRGKRZSA-N 369.939 4.779 0 40 FJAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CC(C)C)C3)c2)cc1 257324179 WNOFXTDYWPXWCO-KRWDZBQOSA-N 367.493 4.504 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)ccc3OC)S2)cc1 408768633 ZDIWANYGAMSCJA-XGHXRCDJSA-N 374.893 4.511 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)cc1 1666294814 ZVNDLLSEUYHTQL-LAUBAEHRSA-N 357.519 4.767 0 40 FJAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775979178 ZXWIBBXTGCXADO-SFHVURJKSA-N 352.459 4.579 0 40 FJAB CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3C)o2)N(CC)C1=S 678128 IZHAHNVSZXRHHC-LFIBNONCSA-N 374.893 4.718 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682447 SSUDHCRSXPITCT-MRXNPFEDSA-N 371.436 4.862 0 40 FJAB CC(C)CCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 877742 ULIYRSOUUIYKNO-UHFFFAOYSA-N 356.495 4.549 0 40 FJAB O=C1c2ccc(Cl)cc2C(=O)N1c1cc(Br)ccc1Cl 994276 BROQYDWBKWFXIQ-UHFFFAOYSA-N 371.017 4.557 0 40 FJAB CC[C@H](C)N1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@](C)(O)CC1(C)C 1276310 NSPNUFSFCCAZQP-APPDUMDISA-N 359.297 4.911 0 40 FJAB Cn1nc(C(F)(F)F)c(C=O)c1SCc1ccc(C(C)(C)C)cc1 1385386 NZQDHMCRZUUAGT-UHFFFAOYSA-N 356.413 4.841 0 40 FJAB biogenic CC(=O)N(C)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 1719423 TUXVVULOHKVRDW-UHFFFAOYSA-N 359.473 4.876 0 40 FJAB CCCCCOC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 1778542 FBNDLBQJAGZOCQ-LBPRGKRZSA-N 364.536 4.642 0 40 FJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1 2419507 NUVAVMVJCTYMPS-KRWDZBQOSA-N 361.445 4.718 0 40 FJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1F 2658128 KRCZSDQPHXLVIX-UHFFFAOYSA-N 371.412 4.533 0 40 FJAB COC(=O)c1ccc(CSc2nc(C)nc3sc4c(c23)CCCC4)o1 3354246 IDEJQSLKRQLIDV-UHFFFAOYSA-N 374.487 4.550 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)c1 3455121 IGKOCORICSTKHH-LBPRGKRZSA-N 356.487 4.838 0 40 FJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c(Cl)c1 4599249 ZIIWIZANAWNQQY-RMKNXTFCSA-N 351.258 4.520 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 4816512 LTPBWWHLRKJSFF-LEWJYISDSA-N 374.488 4.844 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1OC 4849243 LKVIWLBJLUVLCI-UHFFFAOYSA-N 352.459 4.537 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1cccc(F)c1 4932752 ULJOEFPNLGSQAJ-UHFFFAOYSA-N 365.408 4.723 0 40 FJAB COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 5032748 XGDYEWHBQJWPDQ-UHFFFAOYSA-N 357.793 4.773 0 40 FJAB Cc1cc2nc(-c3cc4cc(Br)ccc4oc3=O)[nH]c2cc1C 7602772 LOKJXPPHELCFSN-UHFFFAOYSA-N 369.218 4.716 0 40 FJAB COc1ccc(NC(=O)c2oc3ccccc3c2CSC)cc1OC 8748551 BMSQCCWQUVAZTF-UHFFFAOYSA-N 357.431 4.565 0 40 FJAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(C)o2)cc1Cl 8917598 WIYHGPQJUOOMDM-UHFFFAOYSA-N 359.809 4.686 0 40 FJAB O=C(c1ccccc1)c1cc(-c2ncc[nH]2)c(-c2ccccc2)n2ccnc12 9644780 NQAYUGORGPKZOD-UHFFFAOYSA-N 364.408 4.622 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1oc2ccc(F)cc2c1C 10540946 YVUPHZMGSOJGKV-UHFFFAOYSA-N 363.392 4.935 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Cc1ccccc1 11399230 DWOPHQHNIOJUSL-SFHVURJKSA-N 373.452 4.770 0 40 FJAB CC(C)COc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1 11915561 ORNWMSZDIWUKIJ-UHFFFAOYSA-N 371.824 4.677 0 40 FJAB Cc1sc2nc([C@@H](C)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2c1C 12915361 LIRGAZUDMMVBST-MRVPVSSYSA-N 351.834 4.567 0 40 FJAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3cc(OC)cc(C)c3nc2O1 13563881 NWZHXOLRJRKHBY-HXUWFJFHSA-N 362.473 4.725 0 40 FJAB COc1ccc(SCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 14238134 IKKWDXPFIOWWBF-GFCCVEGCSA-N 369.408 4.684 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccc(-c2nccs2)cc1 15321671 YRBJNHDAGNGMHU-UHFFFAOYSA-N 358.463 4.821 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCSc2c(F)cccc21 16300565 ZZNMFGDBTLOQNW-GOSISDBHSA-N 354.450 4.593 0 40 FJAB C[C@@H]1C(=O)CC[C@@H]2[C@@](C)(COc3ccc4ccc(=O)oc4c3)CCC[C@@]12C 17652269 MZSKOLFPMYKYCT-ICYYRSKXSA-N 368.473 4.984 0 40 FJAB COc1ccc([C@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 18074517 REVXWUIMWFLUGN-NRFANRHFSA-N 370.452 4.738 0 40 FJAB biogenic O=C(c1ccc(F)cc1F)N1CCCC[C@@H]1c1nc2ccccc2s1 24383762 IQEABOXVRDKEDH-MRXNPFEDSA-N 358.413 4.942 0 40 FJAB Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C2CC2)c(C)[nH]1 25149351 JREHDWFCKWMSNQ-UHFFFAOYSA-N 351.475 4.805 0 40 FJAB CSc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1 27168417 LTFGGZYQZSZGGL-NSHDSACASA-N 350.281 4.662 0 40 FJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 35563457 QMYQRVSIKUSRAO-UHFFFAOYSA-N 358.466 4.986 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1C 38771544 MUFVSLMRVRZYSU-IBGZPJMESA-N 359.469 4.977 0 40 FJAB CC(C)(c1ccccc1)c1ccc(O[C@H]2CCNC2)c(Br)c1 42774885 RCSVWOUIMPIZMB-INIZCTEOSA-N 360.295 4.516 0 40 FJAB CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215668 VEZCNEOJTLTVPH-GOSISDBHSA-N 359.514 4.923 0 40 FJAB C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)c2ccccc2N(C(=O)OC(C)(C)C)C1 75091905 SVKVKDBFPTWAEK-SJORKVTESA-N 370.493 4.767 0 40 FJAB CC1CCC(C(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 80340440 ABEBQFPAPDMUEU-UHFFFAOYSA-N 361.485 4.894 0 40 FJAB C[C@H](c1cccnc1)N(C)C(=O)Nc1ccccc1N(C)C1CCCC1 84661082 LQIQUCDWJXTPLK-MRXNPFEDSA-N 352.482 4.685 0 40 FJAB O=C(OCc1nc2ccccc2n1C(F)F)C1(c2ccc(F)cc2)CCC1 95348930 NBYMYRCOSRIBRD-UHFFFAOYSA-N 374.362 4.736 0 40 FJAB CC(=O)N(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)C 95960032 AURXFLCBAUFIED-UHFFFAOYSA-N 368.521 4.598 0 40 FJAB CCc1noc(-c2ccc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cc2)n1 96346752 JCPOWNFYRZKNNM-UHFFFAOYSA-N 374.400 4.515 0 40 FJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5CCCC5)(C4)C2)C3)cc1 100775018 JMRJUGGKWWKCAD-TWVWUCKLSA-N 353.506 4.592 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 113945579 KBWNKCMESAILCQ-QGZVFWFLSA-N 363.457 4.711 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)ccc2c1 222762581 XMHIEKGVVWBLDG-UHFFFAOYSA-N 361.850 4.611 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(C)cc2C)c2ccccc2O1 222787831 ZLQHRLGLVDMFKU-LJQANCHMSA-N 367.489 4.881 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223246348 WSJJCDRMVMMNAJ-OPAMFIHVSA-N 351.490 4.773 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1OC 223264226 JJWACKLCXBZQEI-HNNXBMFYSA-N 371.477 4.635 0 40 FJAB Cc1ccc(SCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 223448017 ULFIEWRQQSDJEK-UHFFFAOYSA-N 353.409 4.812 0 40 FJAB CCCCNC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224201191 HRQQYNLLFDUPPL-UHFFFAOYSA-N 361.869 4.766 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(C)cc(C)c3)o2)c1 224844654 YTSKRTIOHPSDLU-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB Fc1ccccc1-c1nnc([C@@H]2CCCCN2Cc2ccc(Cl)nc2)o1 583621409 FSZZMLWSOMRSEQ-INIZCTEOSA-N 372.831 4.651 0 40 FJAB Fc1ccc(-c2cnc(Nc3ccc(CC[C@@H]4CCCN4)cn3)s2)cc1 585262920 PRXYJWRJLMYWTD-KRWDZBQOSA-N 368.481 4.772 0 40 FJAB COC1(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCCCC1 622594694 ZGGIHRGEYHTNJO-MRXNPFEDSA-N 369.427 4.761 0 40 FJAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2csc3c2CCCC3)cc1 1634527099 DNGKOEDIEAUSRV-UTKZUKDTSA-N 369.530 4.833 0 40 FJAB O=C1c2[nH]nc(-c3cccs3)c2[C@H](c2ccccc2)N1c1ccccc1 720116 VIUNGEQUQVOJHG-FQEVSTJZSA-N 357.438 4.888 0 40 FJAB Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1C 811886 CLXWJYNLSVOVMP-UHFFFAOYSA-N 372.424 4.721 0 40 FJAB O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cccs1 1002350 GBJBOQJIDMXRSJ-UHFFFAOYSA-N 352.246 4.552 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(-c2ccccc2)n1 1401170 AEHKXOXHDLMKQM-UHFFFAOYSA-N 364.348 4.961 0 40 FJAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c(C)c1 2723667 KJRSIUKDDIIGPS-UHFFFAOYSA-N 371.893 4.873 0 40 FJAB CC[C@@H](C)NC(=O)N[C@@H](c1ccc(C)c(F)c1)C(Cl)(Cl)Cl 3198568 XETVJSOLHZBSNR-SKDRFNHKSA-N 355.668 4.643 0 40 FJAB CC(C)C[C@H]1[C@@H](c2ccccc2)OC(=O)N1CCCN1CCCCCC1 3779985 DQNMZSIJHFEYTM-LEWJYISDSA-N 358.526 4.861 0 40 FJAB in-man O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3ccc(F)cc3)CN12 4084830 RZECRGIQWCIZHU-AUSIDOKSSA-N 368.411 4.998 0 40 FJAB biogenic Cc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1C 4753296 BJENRSZQWALHTC-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB Cc1c(C(=O)O[C@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 4806314 ZNHBWRSMVMIORE-ODYMNIRHSA-N 369.436 4.720 0 40 FJAB CC(C)c1ccc(/C=C\C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 4860636 OXRQJASUBSIORM-XFXZXTDPSA-N 368.502 4.501 0 40 FJAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc21 5694708 XVJLIIHFQCRIPB-HNNXBMFYSA-N 365.502 4.516 0 40 FJAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cccc(C)c2nc1Cl 5884039 QVLCRFJXWGJAMZ-IBGZPJMESA-N 363.848 4.894 0 40 FJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(OC)c2)N3)C1 6934137 YERUVQBWOXCGCH-ADLMAVQZSA-N 372.490 4.709 0 40 FJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1cccs1 7160601 YXEXEGVJVZXTDL-UHFFFAOYSA-N 354.378 4.685 0 40 FJAB CCCC(=O)Nc1ccc(C(=O)COc2ccc(Cl)cc2Cl)cc1 7169424 YLXRIRWYTJPMCG-UHFFFAOYSA-N 366.244 4.994 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7401767 QPNBEXPVRTYEPE-MRXNPFEDSA-N 356.510 4.663 0 40 FJAB Clc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1 7427886 PXJSZZUMLFJMJG-UHFFFAOYSA-N 360.851 4.687 0 40 FJAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCc1nc2ccccc2s1 8324767 RKYIBTJQILPQIT-JXMROGBWSA-N 361.369 4.654 0 40 FJAB CC[C@H](C)n1c(SCc2nc3ccccc3o2)nc2ccccc2c1=O 8325548 CUQKWESHTOGIRX-ZDUSSCGKSA-N 365.458 4.801 0 40 FJAB CC(=O)Nc1cccc(Oc2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1 8345125 HWWDCFSCQVIHOB-UHFFFAOYSA-N 370.408 4.946 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(F)(F)F 8558618 NRGCWQQUBBZHAI-CQSZACIVSA-N 353.340 4.510 0 40 FJAB CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 8654024 PXLXGESRKDRKKP-FUHWJXTLSA-N 361.489 4.911 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCC(=O)c2cccs2)cc1 8708006 VFWVDMNUMYNVQQ-SFHVURJKSA-N 371.502 4.864 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccco2)ccc1Cl 9204676 OIJBPGMHXGTBPW-HNNXBMFYSA-N 373.836 4.831 0 40 FJAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(C)c1 9280847 IUSVXKWETZCFNA-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB COc1ccc(NC(=O)[C@@H](Sc2cc(F)ccc2F)C(C)C)cc1 11130726 ICUDOERJAOBXHN-KRWDZBQOSA-N 351.418 4.729 0 40 FJAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1Cl 12599759 KAAXWROTYOQAEQ-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc(C)cc1 12609903 GGTRNRQWHMWDFI-QFIPXVFZSA-N 358.441 4.770 0 40 FJAB O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CCCC1 12739068 IHFGYGCHRJFZEA-UHFFFAOYSA-N 351.324 4.988 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 13710367 LNNDEFLUXBNNEY-CYBMUJFWSA-N 352.261 4.694 0 40 FJAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 14820102 ILGWPRHIRRLLMT-UXBLZVDNSA-N 350.245 4.674 0 40 FJAB Cc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)cc1 15358532 FJTYKDGFMKMQCM-FQEVSTJZSA-N 354.450 4.513 0 40 FJAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(O)c2c(n1)CCC2 16840803 WYZXHJMTMZOHNT-UHFFFAOYSA-N 373.865 4.580 0 40 FJAB CCOc1ccc(CCC(=O)Nc2c(C)cccc2CC)cc1OCC 20451250 UURCUSRFXPWNGF-UHFFFAOYSA-N 355.478 4.926 0 40 FJAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 20899456 LEMDFMIBZVYTTI-UHFFFAOYSA-N 365.433 4.785 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N1CCC(Cc2ccccc2)CC1 22534912 SUHRDSPDXGGJNT-NRFANRHFSA-N 351.490 4.634 0 40 FJAB Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1NC(=O)c1ccco1 23353178 CECQVVLFPFWFFY-UHFFFAOYSA-N 371.396 4.641 0 40 FJAB Fc1ccc(-c2noc(CSc3nc(-c4ccccc4)c[nH]3)n2)cc1 24928069 IUZWJIWHIZNMHN-UHFFFAOYSA-N 352.394 4.558 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 32642760 CZBHCNSBTUQEAT-UHFFFAOYSA-N 374.278 4.908 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3ccccc3c2)c1 33040089 DFSUTMWSMXJEAI-CVEARBPZSA-N 360.457 4.720 0 40 FJAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38852385 RJWKTRWFUQLKJA-IBGZPJMESA-N 360.929 4.559 0 40 FJAB Cc1ccc(-c2nnc(Sc3nc4cc(C)nn4c4ccccc34)o2)cc1 40071370 GBLXVFHSNWWNPZ-UHFFFAOYSA-N 373.441 4.701 0 40 FJAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(NC(=O)Nc2ccccc2)cc1 40123058 FFKRXDQHZYOTFR-OAHLLOKOSA-N 366.465 4.633 0 40 FJAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 44935707 QPKWTDWYEPBHIU-RBBKRZOGSA-N 368.496 4.614 0 40 FJAB O=C(/C=C/c1cscn1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 50293056 MXCXKPWZRIYIDM-GNISGLHKSA-N 354.862 4.716 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccccc1F)NC2 55028127 BWCZEGWAXPCNCX-JOCHJYFZSA-N 366.436 4.606 0 40 FJAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)NC1CCCCCC1 58203117 YHJIQCFSEBZITH-UHFFFAOYSA-N 351.450 4.783 0 40 FJAB O=C(OCc1ccc(F)c2cccnc12)c1cccn1Cc1ccccc1 60968124 UKXMENGSJBAFAS-UHFFFAOYSA-N 360.388 4.581 0 40 FJAB Cc1cc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc(C)c1Cl 72229521 SMQRXAHMYBQQDX-UHFFFAOYSA-N 373.667 4.863 0 40 FJAB O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc2ccccc12 84598277 BVEKOCHGFGPCAA-UHFFFAOYSA-N 372.468 4.647 0 40 FJAB O=c1[nH]c2c(s1)[C@@H](c1c[nH]c3ccccc13)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101174880 AASRQRDVFMNPRX-KIPRRQJLSA-N 354.500 4.570 0 40 FJAB O=C(O)[C@@H]1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 198837404 RPIUBWHUOYSPPL-HXUWFJFHSA-N 371.480 4.775 0 40 FJAB Cc1cccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C 223898935 YJPSEUWESFQYAI-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NC3CCCCCC3)cn2)C1 224042123 GIRPDVGPGGTVHA-HOTGVXAUSA-N 360.571 4.573 0 40 FJAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224480736 WRVUZZUMTNYWEH-KRWDZBQOSA-N 361.507 4.974 0 40 FJAB COC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCCC1 225627351 WOIMWSBVJDYNAQ-UHFFFAOYSA-N 353.462 4.780 0 40 FJAB O=C(NCc1cncc(-c2cccs2)c1)C12CC3CC(CC(C3)C1)C2 225664259 ASYCUZOREBSGNQ-UHFFFAOYSA-N 352.503 4.643 0 40 FJAB CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCCCC)c(C)c1 225897947 UAJWTJNEJCJYNQ-FQEVSTJZSA-N 350.503 4.883 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226265911 MSMCDLOLACTYTK-UHFFFAOYSA-N 351.494 4.809 0 40 FJAB COC(=O)c1c(C)n(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12 226366747 YHHFNOOOGWQBSP-UHFFFAOYSA-N 362.212 4.732 0 40 FJAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(O)cc4)C(=O)O3)sc2c1 408837924 ARTMRIBFXFPZOT-NTEUORMPSA-N 369.829 4.913 0 40 FJAB CCCC(=O)NC(=S)Nc1cc(C)c2oc(-c3ccccc3C)nc2c1 585655922 XERRCQVUODGJJN-UHFFFAOYSA-N 367.474 4.725 0 40 FJAB 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CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(F)c3)cc2)CC1 12551736 AZYIRHJYFWYAHK-MRXNPFEDSA-N 355.457 4.501 0 40 FJAB Cc1ccc(Oc2ccc(OCC(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 12618560 QNMBUXRORCZECJ-QZTJIDSGSA-N 353.462 4.671 0 40 FJAB OCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 13566040 ONVKZCIEQRKKNS-UHFFFAOYSA-N 360.457 4.584 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 13710729 JZFFTTSXACCFMY-GFCCVEGCSA-N 366.230 4.611 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 14291983 WFCOBAVWLCPRPY-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB O=C1C[C@H](c2ccsc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082330 NUSAWMDTTCVQHF-GFCCVEGCSA-N 373.430 4.788 0 40 FJAB COc1ccc(C)cc1CC(=O)N(c1ccccc1)c1nc(C)cs1 17343864 UBZWHJJCXYBEES-UHFFFAOYSA-N 352.459 4.676 0 40 FJAB O=C(COc1ccc(F)cc1)Nc1ccccc1Sc1ccccc1 19935078 UZXYQKJALSLXOU-UHFFFAOYSA-N 353.418 4.994 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20141452 HKZKYUHZDJNHFK-UHFFFAOYSA-N 371.820 4.743 0 40 FJAB CN1O[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C[C@@H]1c1ccccc1 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84587701 BTCXPVHNRFVHJO-CYBMUJFWSA-N 373.499 4.553 0 40 FJAB O=C(Nc1cncc(Br)c1Cl)c1ccc(F)cc1Cl 89768490 DHDPXBFSJPJGDI-UHFFFAOYSA-N 364.001 4.542 0 40 FJAB Cc1ccc(OCc2nc3ccccc3n2CCCCn2ccnc2C)cc1 95454299 ZVYPCTRXQKWKDB-UHFFFAOYSA-N 374.488 4.909 0 40 FJAB COc1cc(C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 95917336 XQULSIDKEWUWDS-UHFFFAOYSA-N 364.397 4.736 0 40 FJAB C[C@]1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCc2ccccc21 95953323 DTUJSRLJURSYGK-FQEVSTJZSA-N 353.853 4.731 0 40 FJAB CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCO1 95991272 JYPBBFXRSYRXTA-IAGOWNOFSA-N 370.468 4.575 0 40 FJAB CCCNc1c(NC(=O)Nc2ccc(C)cc2C)c(=O)oc2ccccc12 101096114 JYDFNCJFICKIFA-UHFFFAOYSA-N 365.433 4.876 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 108922465 GDTWHKADGQTWOU-QMTMVMCOSA-N 372.336 4.634 0 40 FJAB O=C(CCSCc1ccccc1)NCCOc1cccc2ccccc12 223544264 IFLKFKPYZCYSQM-UHFFFAOYSA-N 365.498 4.658 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1cccc2ccccc12 223551430 KOCASDQUSREQOI-NRFANRHFSA-N 363.457 4.501 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C(F)(F)F)c1 224089247 MWOIYLHNAHEMMZ-KRWDZBQOSA-N 365.395 4.796 0 40 FJAB COCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 224398101 UZSQELMGLBBFEX-UHFFFAOYSA-N 373.758 4.766 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(Cl)cc1 225094773 RQFAALHPYKCIQQ-NRFANRHFSA-N 371.908 4.735 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 225419152 FUIUISGNJLGNME-UHFFFAOYSA-N 365.395 4.698 0 40 FJAB CCOc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1 225564483 QWRSLRVLKOUTNR-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1Cl 225595886 QZFYSAHUTXPAMI-UHFFFAOYSA-N 373.865 4.818 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C)c1 225685127 MHJBNCSYTCJHEQ-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)c1 408624063 ATSKKRVCFHXZTO-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)c(OC)c1OC 409381850 OHCOKUDZDZINNC-JLHYYAGUSA-N 363.413 4.518 0 40 FJAB O=C(NCc1cncc(-c2ccoc2)c1)Nc1ccc(Cl)c(Cl)c1 1775966970 YDTOBRWDVLJDPK-UHFFFAOYSA-N 362.216 4.970 0 40 FJAB O=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)ccc1Br 649726 CVKHUWCKGKXEMS-UHFFFAOYSA-N 371.017 4.557 0 40 FJAB CCc1ccccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 957209 XWOCBHGRGGZSPQ-CCEZHUSRSA-N 359.425 4.597 0 40 FJAB Clc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)c(Cl)c1 1392778 SYXBBWYFNIWBEG-UHFFFAOYSA-N 361.257 4.610 0 40 FJAB Cc1ccc(C)c(CN2C(=O)[C@@H]3CCCN3c3ccc(C(F)(F)F)cc32)c1 1395281 OZJORYJKJIEZSQ-SFHVURJKSA-N 374.406 4.838 0 40 FJAB COc1ccc2c(c1)[nH]c1c(N3CCC(Cc4ccccc4)CC3)ncnc12 2361451 HFOOWSVDGZUOMN-UHFFFAOYSA-N 372.472 4.579 0 40 FJAB O=C(Nc1ccc(C[S@@](=O)c2ccccc2)cc1)c1ccc(F)cc1F 4090619 UGTOQQQLWDSWNN-SANMLTNESA-N 371.408 4.525 0 40 FJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CSC3)c1 4274429 BNWADZMDVYUFCF-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3[nH]2)CC1 4314946 QLYYQXAAEKNPDW-UHFFFAOYSA-N 355.441 4.736 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccc(F)cc2)cc1 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40 FJAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccccc1Cl 9419453 CYEPHDNLVWIRRW-UHFFFAOYSA-N 353.809 4.521 0 40 FJAB Cc1cccc(C)c1N1CCc2cnn(C(=O)Nc3ccccc3Cl)c21 9553385 GIWWQGAAVNUDQB-UHFFFAOYSA-N 366.852 4.928 0 40 FJAB CCCCCOc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 9553422 WATRXQFXCILYGA-RGEXLXHISA-N 353.393 4.739 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 12062235 JUOSYUQATGRMFQ-IBGZPJMESA-N 358.869 4.911 0 40 FJAB O=C1CCCN1c1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1 12361782 VNLHHVKMDYLBDC-UHFFFAOYSA-N 354.881 4.636 0 40 FJAB COc1ccccc1NC(=S)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 12371776 DZXXUDUKSMFTKE-UHFFFAOYSA-N 358.854 4.548 0 40 FJAB CCOc1ccc2[nH]c(=O)c(CNc3cccc(C(F)(F)F)c3)cc2c1 12493197 XQUFYVQVMCDGBP-UHFFFAOYSA-N 362.351 4.558 0 40 FJAB CN(CC(=O)Nc1ccc2ccccc2c1)Cc1ccccc1N1CCCC1 12690171 RCTHDEGXIPIKQL-UHFFFAOYSA-N 373.500 4.511 0 40 FJAB Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(C(C)(C)C)cc4)n3)cc2c1 13770753 HUVNPHNPCIZXQA-UHFFFAOYSA-N 359.429 4.851 0 40 FJAB O=C(CSCc1ccccc1Br)NCCC1=CCCCC1 14128524 RCKIKXGNLNHVKG-UHFFFAOYSA-N 368.340 4.689 0 40 FJAB CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)cc(C)c(C=O)c1O 14515787 AQCKKGIVKOHRLM-HBFAXEOFSA-N 370.489 4.905 0 40 FJAB biogenic,in-vitro CCOc1ccc(-c2cc(C(=O)Oc3ccc(Cl)c(C)c3)no2)cc1 20896777 QVZPHXRYSZKALG-UHFFFAOYSA-N 357.793 4.921 0 40 FJAB C[C@H](OC(=O)CCc1ccccc1Cl)c1nnc(-c2ccccc2)o1 23327141 QOEAMNJPDDCCSC-ZDUSSCGKSA-N 356.809 4.627 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccc(Cl)c2)[nH]n1 24964962 VDOIWNKTUMFDCR-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CCc1cc2c(=O)n(Cc3sc4ccccc4c3Cl)cnc2s1 25056652 UYJJSTCVBHKTEB-UHFFFAOYSA-N 360.891 4.937 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccsc1 25330532 PKEXPNSMVQZYLL-MRXNPFEDSA-N 374.893 4.694 0 40 FJAB COc1ccc(NC(=O)Nc2ccc(Br)c3cccnc23)cc1 27930361 NPXLDEYGYHBDRQ-UHFFFAOYSA-N 372.222 4.650 0 40 FJAB Cc1ccc(Cn2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cn2)cc1 28235930 GBCRUMPDJONMSS-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB CCC(=O)Nc1ccc([C@@H](C)NCc2ccc(Br)cc2)cc1 30640368 RBTGCRNVOOIHDH-CYBMUJFWSA-N 361.283 4.648 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccncc1)CC(O)=N2 31817662 XJQCXKGVYBFAGJ-OAHLLOKOSA-N 363.442 4.827 0 40 FJAB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](/C=C/c3ccccc3)C2)c(=O)o1 36619601 REPFMDKXWWMXTP-FMQWLBJXSA-N 372.424 4.672 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 37385872 NBFILQLSBYZEBA-UHFFFAOYSA-N 368.296 4.593 0 40 FJAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2N)cc1Cl 38486695 PYVJJQKQXJZFFK-UHFFFAOYSA-N 367.865 4.602 0 40 FJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3cccc(CC)c3)c2c1 38487339 UOBOLPVJJAIUHQ-UHFFFAOYSA-N 350.418 4.726 0 40 FJAB Cc1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2Cl)cc1 45891544 ZCHLAEWFPOIJJB-UHFFFAOYSA-N 352.246 4.746 0 40 FJAB Brc1cccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)c1 49422296 PDTAYPJVILIJQK-UHFFFAOYSA-N 367.206 4.556 0 40 FJAB C[C@H](NCC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 57854133 HXDMCKICWVCTJW-UONOGXRCSA-N 356.853 4.614 0 40 FJAB CCc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 58378116 OVCOBOPPJGEBPC-NRFANRHFSA-N 360.413 4.811 0 40 FJAB CCCCOc1ccc2oc(C)c(C(=O)Nc3nnc(CC)s3)c2c1 61997189 PFXQMPJSVPJXGO-UHFFFAOYSA-N 359.451 4.586 0 40 FJAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCN1Cc1ccccc1 72214368 SGRBOVHLIJWLDU-GOSISDBHSA-N 353.466 4.766 0 40 FJAB COc1ccccc1-c1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 77576405 UYEZOTXAUMMCGW-UHFFFAOYSA-N 354.406 4.510 0 40 FJAB CC[C@H](Sc1nnc(-c2ccncc2)n1CC)c1ccc(F)cc1F 77902989 IAYMDPSPDZULCX-INIZCTEOSA-N 360.433 4.882 0 40 FJAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]21 100200926 UXMMJWNHLXEBLE-MOXQZVSFSA-N 355.437 4.611 0 40 FJAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1scnc1-c1ccccc1 102724658 IMUAPECKAHILIV-HOTGVXAUSA-N 350.443 4.561 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5ON=C(C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 118917671 XHKXOQIVQHCQQV-XKMUXQCMSA-N 371.521 4.882 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(NC(C)=O)cc1 216455001 HYWLESWWZQFWIB-NRFANRHFSA-N 362.429 4.594 0 40 FJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 222780621 HJEWLDXTVKEVSD-VQTJNVASSA-N 368.550 4.607 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(Cl)cc1 222964188 PDIQYTGVTRKTFB-IBGZPJMESA-N 359.897 4.863 0 40 FJAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 225495786 NELVIXPRNMSELZ-LBPRGKRZSA-N 367.873 4.598 0 40 FJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225690947 ZYQQDMSGEYAWOW-LIRRHRJNSA-N 371.905 4.534 0 40 FJAB Nc1nc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 226311603 BUXPHEGCWDEVKK-UHFFFAOYSA-N 359.454 4.649 0 40 FJAB CCOc1ccc(C2=NN3[C@H](c4ccccn4)Oc4ccccc4[C@H]3C2)cc1 248382509 XCEBRQILBLPODQ-GGAORHGYSA-N 371.440 4.723 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2)cc1 408674735 BUCKLLJNCBDFSX-UHFFFAOYSA-N 372.399 4.875 0 40 FJAB O=C(Cc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 408915388 ZZFBPKMUCBAZAV-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1C 409324984 WKWLQVXRZAPMJE-YBEGLDIGSA-N 359.834 4.898 0 40 FJAB C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1 548000551 VGYYLUQIHVTLCK-AWEZNQCLSA-N 372.900 4.919 0 40 FJAB C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)c2ccccc21 1529239202 PPUWJBCQWAOIGJ-LBPRGKRZSA-N 372.255 4.943 0 40 FJAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccccc1Cl 1776004663 WZUKKCBGHLGQNZ-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB O[C@@H](c1ccc(Br)cc1)[C@H](c1ccccc1)N1CCCCC1 819931 NQEUTDJMHPUYIZ-OALUTQOASA-N 360.295 4.710 0 40 FJAB Cc1cccc(Oc2coc3cc(OC(=O)c4cccnc4)ccc3c2=O)c1 921109 MMIGNYVKALITBX-UHFFFAOYSA-N 373.364 4.508 0 40 FJAB biogenic Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1 1369549 ZGIWEUNNIIBBHF-WOJBJXKFSA-N 359.583 4.631 0 40 FJAB OC1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 1688498 UQNYLRPFZWLLMC-RTBURBONSA-N 361.407 4.545 0 40 FJAB CCC(CC)N[C@H](CC)COC(=O)C(c1ccccc1)c1ccccc1 1710585 YJVBMVWCNZRZOG-OAQYLSRUSA-N 353.506 4.919 0 40 FJAB CCCCNC(=O)N(c1cccc(OC)c1)c1nc2ccccc2s1 2654192 SOJZAHIPCCJZTB-UHFFFAOYSA-N 355.463 4.953 0 40 FJAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 2663240 CDBYBKKLBVCXBJ-UHFFFAOYSA-N 368.458 4.778 0 40 FJAB O=C(CSc1cccc(C(F)(F)F)c1)N[C@H]1CCCc2ccccc21 3473816 GPZXUTAFNPJRCK-KRWDZBQOSA-N 365.420 4.991 0 40 FJAB Cc1ccc(C2=NN(C(=O)c3cccnc3)[C@H](c3ccccc3F)C2)cc1 4131511 SZBQHEHIHADTKM-NRFANRHFSA-N 359.404 4.521 0 40 FJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1nc(C)cs1 4849331 CYBHOBDZMCXNSV-UHFFFAOYSA-N 357.504 4.601 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1C 4950283 YDHNMBJERMEGHM-UHFFFAOYSA-N 358.246 4.792 0 40 FJAB c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5164603 VLUQTNBLGGAGNZ-CVDCTZTESA-N 370.408 4.658 0 40 FJAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccccc2)cc1 5451181 JDJRFZHIPMFAKU-XMMPIXPASA-N 370.452 4.574 0 40 FJAB CCN[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 6787843 FPVUFPORQBOBEO-OAHLLOKOSA-N 356.775 4.648 0 40 FJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 7271522 QIAARVJYUJOIMZ-UHFFFAOYSA-N 359.401 4.859 0 40 FJAB COc1cc(NC(=O)CSCc2cccc(C)c2)c(OC)cc1Cl 11038879 SYYKDQDBSBDOJH-UHFFFAOYSA-N 365.882 4.538 0 40 FJAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 12676466 PEGSMEXVVIIRRN-UGSOOPFHSA-N 373.294 4.517 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1Cl 12772303 KNUKJVWZNJZMQA-INIZCTEOSA-N 356.897 4.817 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1cccs1 12886216 PFGVOXXPFXGWON-UHFFFAOYSA-N 358.507 4.754 0 40 FJAB Cc1ccc2c(CC(=O)N[C@@H]3CCSc4c(F)cccc43)coc2c1 16300684 YRASTHULCGBMBE-QGZVFWFLSA-N 355.434 4.776 0 40 FJAB CCOC(=O)c1sc(-c2ccc(C)cc2)cc1NC(=S)N1CCCC1 19797184 NJXGWFBLELYENP-UHFFFAOYSA-N 374.531 4.693 0 40 FJAB Cc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)o2)cc1Cl 20140318 WWLSERSUEAUALZ-UHFFFAOYSA-N 369.804 4.537 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(OC)c1 20484079 HWIWKFYLCLYSIS-GOSISDBHSA-N 365.429 4.653 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)CCCC(C)C 21203469 FXSXBWPEUUDQSF-OAHLLOKOSA-N 358.482 4.815 0 40 FJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1Cl 23330961 WORBASOJWOGFSF-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB CCc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 32609736 KICWLFIVKPDFEU-UHFFFAOYSA-N 351.425 4.502 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)ccc1Cl 41157051 FGRZXQFIIWAITJ-AWEZNQCLSA-N 354.837 4.911 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 44857221 YUQUODMYCOEJHE-UHFFFAOYSA-N 370.496 4.879 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 44912832 SVAWLAPZEJNREM-LPHOPBHVSA-N 368.908 4.530 0 40 FJAB Cc1nc(Cc2nnc(S[C@@H](C)c3cc(F)ccc3F)o2)cs1 56282469 YJJUZDXZHRDEDL-QMMMGPOBSA-N 353.419 4.557 0 40 FJAB CCN(CC)c1ccc(-c2nnc(SCc3csc(C)n3)o2)cc1 57970194 QLZKOHBBRXDHSN-UHFFFAOYSA-N 360.508 4.640 0 40 FJAB COc1ccc2cc(-c3cc(C(=O)O)nn3-c3ccccc3C)ccc2c1 59472449 FUYBMZRJBCCRJC-UHFFFAOYSA-N 358.397 4.708 0 40 FJAB CN(C(=O)Nc1cccc2cnccc12)[C@@H](c1ccccc1)c1ccccn1 67474605 AKNCPACAWVBITK-QFIPXVFZSA-N 368.440 4.883 0 40 FJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cccc(OC(F)F)c2)S1 71287747 POHHPSBNOXXEMU-ZDUSSCGKSA-N 353.394 4.657 0 40 FJAB O=C1c2ccccc2N[C@H](c2csc3ccccc23)N1C[C@@H]1CCCO1 95946989 BJHVIKMRLMWEEF-XOBRGWDASA-N 364.470 4.647 0 40 FJAB O=C(CCc1ccccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96231091 BDUXHPQWGNQCBV-GOSISDBHSA-N 352.865 4.948 0 40 FJAB Cc1cccc([C@@H](C)NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1C 115493052 BYYRZKBSGQCWNN-OAHLLOKOSA-N 351.475 4.643 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1C 219309003 GKVPMPACIAPDPG-SFHVURJKSA-N 373.452 4.940 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222970116 UCEPQOGBAICWJM-BTYIYWSLSA-N 355.453 4.739 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc2c(c1)CCCC2 223096777 YSDJHNTZGXAWDA-KSFYIVLOSA-N 367.489 4.609 0 40 FJAB Cc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1 223723435 HYISWCYMPSYERO-UHFFFAOYSA-N 367.470 4.608 0 40 FJAB CCCSc1nnc(NC(=O)/C(=C/c2ccco2)c2ccccc2)s1 223770129 JCPKKUKRIYIUJL-NTCAYCPXSA-N 371.487 4.813 0 40 FJAB COc1ccccc1O[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225139235 WLCFAXQKZKWGLY-NRFANRHFSA-N 364.397 4.562 0 40 FJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12 225897102 RFJRNZGFRLSQTL-NRFANRHFSA-N 358.482 4.948 0 40 FJAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(C)cc1 409367736 JXXHJCWCTRCSIJ-UHFFFAOYSA-N 369.530 4.990 0 40 FJAB Cc1[nH]c2ccccc2c1C1CCN(C[C@H](O)[C@@H](C)c2ccccc2)CC1 1307420902 SIPLIGUODNJBGL-SBUREZEXSA-N 362.517 4.820 0 40 FJAB COc1ccc(Cl)cc1-n1nc(C)c2c1C[C@H](c1ccccc1)CC2=O 1076584 MXAYUGPVBMYVDT-HNNXBMFYSA-N 366.848 4.755 0 40 FJAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1960633 DPJXNCURCDJHND-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB CCOc1ccc(Nc2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1 2648287 DMCPHFPVFHKLNQ-UHFFFAOYSA-N 372.421 4.719 0 40 FJAB COc1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 2748137 FFLOSPJZIWESHG-UHFFFAOYSA-N 374.465 4.902 0 40 FJAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(F)c(F)c1F 3344680 QVSGEIOEAPAKGY-MRVPVSSYSA-N 368.405 4.833 0 40 FJAB CC(C)CCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4715612 DSIBQWOHHGDFNF-IBGZPJMESA-N 366.505 4.930 0 40 FJAB Cc1s/c(=N\C(=O)c2cccc(F)c2)n(C)c1-c1ccc(Cl)cc1 4834971 OJGOYWTZNGUUOH-UZYVYHOESA-N 360.841 4.596 0 40 FJAB O=c1c2ccccc2nc(-c2ccccc2)n1CCc1c[nH]c2ccccc12 5274683 KNZJUEXUWFYTQD-UHFFFAOYSA-N 365.436 4.788 0 40 FJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2C)c1 5608295 OGXVLOSOXQXISE-UHFFFAOYSA-N 356.491 4.609 0 40 FJAB Cc1nnc(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)[nH]1 6588212 DIJZTCYBXRVCMQ-WQRHYEAKSA-N 361.426 4.637 0 40 FJAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 6719562 DYQVSMXDEIGYEV-UHFFFAOYSA-N 371.419 4.550 0 40 FJAB Cc1ccnn1-c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 8156558 RCNTWBXFTQNGKZ-UHFFFAOYSA-N 367.452 4.700 0 40 FJAB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)c1ccccc1 8436417 LIQUOQCQRSSRJC-UHFFFAOYSA-N 371.465 4.953 0 40 FJAB Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c1 8767858 MENKIRXCQXZVOF-UHFFFAOYSA-N 368.462 4.686 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccccc3F)sc2c1 8903124 ZRWHXYBFGLPVIO-UHFFFAOYSA-N 372.421 4.645 0 40 FJAB Cc1ccc(CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)o1 8941628 SHPHIMVWQOPWFS-UHFFFAOYSA-N 362.788 4.616 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccccc3C)ccc1O2 9134888 ZFEQAFLZGNDUAB-UHFFFAOYSA-N 358.397 4.914 0 40 FJAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)c1 9462743 HXAMRMVARPTABJ-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 12539149 RQKCFADIYLMSEH-KRWDZBQOSA-N 355.441 4.576 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)N[C@H](c1ccccc1)c1ccccn1 12593174 QVXXKCADPAXTAX-HXUWFJFHSA-N 371.267 4.837 0 40 FJAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1nc(-c2ccco2)sc1C 12797603 RRGRJAOLAIEHDE-GFCCVEGCSA-N 356.447 4.520 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 12806900 KMPGZWNWNGTOPS-UHFFFAOYSA-N 372.471 4.594 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1sc(-c2cccs2)nc1C 13000804 AOLXMKQCGVYXSL-LLVKDONJSA-N 358.488 4.680 0 40 FJAB CC(=O)N[C@H](CSC/C=C(\C)CC/C=C(/C)CCC=C(C)C)C(=O)O 13536931 XTURYZYJYQRJDO-RXRGRGJESA-N 367.555 4.728 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 13819472 XWQWASKCWCJBEX-UHFFFAOYSA-N 354.441 4.961 0 40 FJAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085155 GBFXCWVBNBJQTN-AWEZNQCLSA-N 372.350 4.646 0 40 FJAB Fc1ccc(COc2ccccc2CNCCc2ccccc2F)cc1 16449561 DIRHQDMMOUZVOE-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cc(N)ccc1OC 19736744 IBYZDFDXENTZJI-RDTXWAMCSA-N 356.466 4.587 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccc(C(C)C)cc1 20045187 FIYFPQJURJUIFI-JOCHJYFZSA-N 353.506 4.943 0 40 FJAB COc1ccc(CSCC(=O)Nc2ccccc2C(F)(F)F)cc1 20237837 LCDLBFRXWLXHQP-UHFFFAOYSA-N 355.381 4.586 0 40 FJAB Cc1ccc(-c2cc(C(=O)Oc3cccc(Br)c3)no2)cc1 20896636 MUGMMIZZUQWPFG-UHFFFAOYSA-N 358.191 4.632 0 40 FJAB Cc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 21596291 CUHFGTXLIPKBRH-UHFFFAOYSA-N 354.862 4.928 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)ccc2o1 21794764 FALPQPHZAFLWCB-ZDUSSCGKSA-N 351.450 4.873 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCc1ccccc1Cl 22524735 JHXRIKNJGKTVAJ-MRXNPFEDSA-N 359.897 4.980 0 40 FJAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1 27582740 PCNDSLWCGGMEFZ-NRFANRHFSA-N 370.924 4.996 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCCC2)cc1 27584368 GIVQCXMARKTINJ-OAQYLSRUSA-N 370.924 4.996 0 40 FJAB Cc1ccc(F)c(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1 28236580 NBYPZTOXQCCNEK-SECBINFHSA-N 363.742 4.511 0 40 FJAB Cc1ccc2c(Cn3c(C(F)(F)F)nc4ccccc43)cc(=O)oc2c1 29300016 CURBMRMHMSMLGQ-UHFFFAOYSA-N 358.319 4.518 0 40 FJAB CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccco2)n1 29599053 VNBYAHDYMBYQKX-UHFFFAOYSA-N 352.868 4.780 0 40 FJAB O=C(NCC1CCC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 31438462 MZZLIHLTDMYMPC-UHFFFAOYSA-N 350.393 4.678 0 40 FJAB COc1cccc2cc(-c3nnc(SCc4ccc(F)cc4)n3C)oc12 33646723 WZMNKKXMBAYPSA-UHFFFAOYSA-N 369.421 4.668 0 40 FJAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCc1cccs1 38490473 UTOHSTRISHITEJ-UHFFFAOYSA-N 355.434 4.929 0 40 FJAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 44856352 MAIRXFWYQHPQOP-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB Cc1nc(C)c([C@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)s1 56021639 LRQKQYZHPUHUNB-ZDUSSCGKSA-N 364.470 4.875 0 40 FJAB COC(=O)c1ccc([C@@H]2Oc3ccccc3CN2C2CCCCC2)cc1 57312727 BRNIAKGFYBLQRL-NRFANRHFSA-N 351.446 4.699 0 40 FJAB O=C(NO[C@@H]1CCCCO1)c1ccccc1-c1ccc(C(F)(F)F)cc1 60332272 MBCNYPOKBZBUNI-QGZVFWFLSA-N 365.351 4.560 0 40 FJAB CC[C@@H](c1ccccc1)c1nnc(SCCCOCC(F)(F)F)o1 67952706 ZNENYKYLMIFLOX-ZDUSSCGKSA-N 360.401 4.673 0 40 FJAB COc1cccc2cc(C(=O)NCc3cccc(Oc4ccccn4)c3)oc12 96122528 GMXUVFIDPCWQES-UHFFFAOYSA-N 374.396 4.559 0 40 FJAB COc1ccc2oc(C(=O)N3CCS[C@H](c4ccccc4)CC3)cc2c1 206989822 KXXSHXFNFPLMFY-FQEVSTJZSA-N 367.470 4.762 0 40 FJAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1cc2ccccc2o1 207964625 WLXFKEUURGITGX-GOSISDBHSA-N 369.467 4.568 0 40 FJAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1 224087328 CPTDKLTUIHIMDO-UHFFFAOYSA-N 369.367 4.805 0 40 FJAB CCOc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225596931 NPCDMGZHVYYCIU-UHFFFAOYSA-N 360.548 4.695 0 40 FJAB CC(C)C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1 225618293 UKCIXKWCSYWMGH-GOSISDBHSA-N 360.295 4.895 0 40 FJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Cl 225808083 ZZNYAAGJRGBUMY-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c(C)c1 408667042 PYBYOTAVXGGTBZ-SFHVURJKSA-N 365.473 4.694 0 40 FJAB CC1=N/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)O1 408820995 BEGKAVMEWSLBCJ-CXUHLZMHSA-N 362.212 4.889 0 40 FJAB O=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 409140069 HQQZAVMSZMXXLW-AWEZNQCLSA-N 352.242 4.805 0 40 FJAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409236596 TWAYVLUBVSPULA-SFQUDFHCSA-N 354.837 4.735 0 40 FJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccccc4)cc3cc21 575473283 QZPYEYUYDFXMLC-UHFFFAOYSA-N 359.425 4.656 0 40 FJAB CCc1ccc([C@@H]2CCCCCN2Cc2nc(O)c3ccccc3n2)o1 606899465 NGKMWNJYVZEUFL-SFHVURJKSA-N 351.450 4.608 0 40 FJAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 630181 XWJGWSIDACNSKC-UHFFFAOYSA-N 361.825 4.947 0 40 FJAB CN(C(=S)NC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1 1003890 FRDIHZIOSXDDSO-UHFFFAOYSA-N 352.503 4.633 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1C 1416366 RTQQYPHFDUGYET-YBEGLDIGSA-N 370.455 4.617 0 40 FJAB CC1(C)CCCN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1 2279020 PIXQKGMLNXGUGB-UHFFFAOYSA-N 359.271 4.500 0 40 FJAB CCOC(=O)[C@H](C)Sc1ncnc2sc(C)c(-c3ccccc3)c12 2888474 WMISCZYGRPZBKN-LBPRGKRZSA-N 358.488 4.710 0 40 FJAB CCOc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 3843299 GSCJXJMTVMMLIJ-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB biogenic Cc1cc(C)cc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 5146262 ZQLUAPKOHLYCBE-UHFFFAOYSA-N 354.450 4.539 0 40 FJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5254869 WGYUNJBUDLXZGQ-MZYLBHOOSA-N 369.480 4.703 0 40 FJAB CCCCC(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C 5304361 HHGRWNUMZYFKCA-UHFFFAOYSA-N 368.864 4.988 0 40 FJAB COc1ccc(C(=O)CCOc2ccc(Cl)cc2Cl)cc1OC 5527269 FVPWGFVDNDCONH-UHFFFAOYSA-N 355.217 4.662 0 40 FJAB CCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1-c1ccc(C)cc1 5980067 IEAGVBXOXCLAPC-UHFFFAOYSA-N 371.440 4.857 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1cccc(F)c1)Cc1ccco1 6747611 QZTVEEHPCNWNHW-UHFFFAOYSA-N 353.393 4.660 0 40 FJAB O=C(NC1CC1)[C@@H](Sc1cccc(C(F)(F)F)c1)c1ccccc1 7917981 PXJPSZVYZFFJNY-INIZCTEOSA-N 351.393 4.817 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1Cl 8480479 UQGBGSGYITWENA-AWEZNQCLSA-N 354.233 4.798 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl 8499157 UURHJOCZZSXGCY-UHFFFAOYSA-N 366.288 4.986 0 40 FJAB CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 10421425 DDRJABANGCKTCS-UHFFFAOYSA-N 357.413 4.813 0 40 FJAB COc1ccc(-c2nc(CSc3nccn3C3CC3)cs2)cc1OC 12646900 BISKNMPTWGLPAS-UHFFFAOYSA-N 373.503 4.651 0 40 FJAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1cc(Cl)ccc1F 12784292 NIKIRAWHESKKRW-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB C[C@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C[C@H](C)O1 12898423 LGPSJMKEOCXTMC-QWRGUYRKSA-N 354.233 4.503 0 40 FJAB CC(C)c1ccc([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 13041902 WTUITPHBMIVBRB-GFCCVEGCSA-N 350.384 4.517 0 40 FJAB C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 14186849 PHDTZFOVUQUUTH-QGZVFWFLSA-N 372.447 4.924 0 40 FJAB C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 14564901 ABVMREZJRDOHAU-OAHLLOKOSA-N 362.404 4.569 0 40 FJAB Cc1cc(NC(=O)/C=C\c2ccccc2)ccc1NC(=O)c1ccccc1 16282673 AEXKEIIISBHUBY-QINSGFPZSA-N 356.425 4.899 0 40 FJAB Cc1ccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)cc1 19210207 PTEXMEOTBQIBHY-UHFFFAOYSA-N 353.491 4.795 0 40 FJAB CCOc1cc(CN[C@H](Cc2cccs2)c2nccs2)ccc1OC 19532143 DHUOICPENPQQSS-MRXNPFEDSA-N 374.531 4.686 0 40 FJAB COc1ccc(-c2ccc(CN[C@H](C)[C@@H](O)c3ccccc3)o2)cc1Cl 22107380 ITAYADLKRQMDPZ-SPLOXXLWSA-N 371.864 4.820 0 40 FJAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H]1c1cccs1 22131857 ADEYNBKTCPUXNV-IBGZPJMESA-N 354.519 4.711 0 40 FJAB COc1ccccc1CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 30980547 SCYOCNYMYLYEAQ-LLVKDONJSA-N 353.249 4.562 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2SC(F)F)c1 32741111 KXUOOTUEALBIHX-NSHDSACASA-N 367.417 4.510 0 40 FJAB Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 32900317 SIHIEHNANFOJCJ-MRXNPFEDSA-N 362.429 4.674 0 40 FJAB Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@H](C)C[C@@H](C)C2)cs1 37143144 QTVYKJVUZZSXBC-GUFYHEMZSA-N 370.518 4.548 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCCCCC2)cc1 38848622 IIIIFLWARFYMCF-UHFFFAOYSA-N 356.897 4.646 0 40 FJAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 40113092 IHYPTMKEMUVJIL-CYBMUJFWSA-N 371.893 4.549 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 44935021 OQNSNHSNOWRHEE-LJQANCHMSA-N 350.506 4.780 0 40 FJAB CCCc1noc([C@@H](C)Nc2cccc(NC(=O)c3ccccc3)c2C)n1 55155031 VABYHPGYTSSLTN-OAHLLOKOSA-N 364.449 4.756 0 40 FJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c(C)c1 67296227 MKGQRDXOOZDHOA-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB COc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1 67341606 ZVRVSNBPPRPDQR-UHFFFAOYSA-N 366.421 4.514 0 40 FJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H](C)c1ccccc1 71809760 LROWPSAYMPNSMR-CQSZACIVSA-N 355.432 4.661 0 40 FJAB C[C@H]1C[C@H](OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 75279221 QWQRGWMBWMYNRI-PMOQBDJRSA-N 373.581 4.533 0 40 FJAB O=C(/C=C/c1ccco1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 85471496 BPDRIAWYJMBPKX-MDZDMXLPSA-N 367.474 4.649 0 40 FJAB Cc1ccccc1NC(=O)N(Cc1cnc2ccccn12)c1ccccc1 96103005 WUXIQDVFGDAABP-UHFFFAOYSA-N 356.429 4.881 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218972062 CSOZGTIZVLNQTI-QGZVFWFLSA-N 359.425 4.632 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccccc1Cl 222878957 JWYDXWANZHXLFO-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 222898473 YSYHKQGIKLZOOU-WOJBJXKFSA-N 368.550 4.771 0 40 FJAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 223315361 PDSNBSXUHKKPNO-IBGZPJMESA-N 364.533 4.647 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224295696 OKOZLHGPESARMF-GOSISDBHSA-N 360.457 4.695 0 40 FJAB COc1ccc(Cc2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)cc1 257337127 YRNLETZYFZALRJ-DEOSSOPVSA-N 373.500 4.803 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3F)s2)cs1 514898135 SXTBAZBOWYGSDY-UHFFFAOYSA-N 361.467 4.683 0 40 FJAB CC(C)Cn1ncc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c1C1CC1 576019094 RERJQRCOZQGMNC-HNNXBMFYSA-N 357.473 4.763 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 951813 JALGVOWZPXQHNR-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB COc1cc2c(C(=O)O)c(C)n(-c3ccc(N(C)C)cc3)c2c2ccccc12 1000343 LJFZSEKFFURATH-UHFFFAOYSA-N 374.440 4.865 0 40 FJAB CCc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 1987244 BFSYHZWCAYBVJQ-UHFFFAOYSA-N 373.452 4.563 0 40 FJAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3s2)C1 3232971 VAQFJNZRPHUBGS-QWRGUYRKSA-N 354.928 4.546 0 40 FJAB O=C(COc1ccc(F)cc1Br)Nc1cccc2ccccc12 3608624 GLDMJEBDXVAZNT-UHFFFAOYSA-N 374.209 4.759 0 40 FJAB O=C(CSc1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 4174400 LITFQPSEOOHBDE-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 4523792 YHNWCZRUSYLAPU-UHFFFAOYSA-N 368.304 4.709 0 40 FJAB O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 4622841 ZTRBOBVGGNZMJG-OEEPJNJMSA-N 358.485 4.875 0 40 FJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H](C)CC)cc3)CC2=O)cc1 4700401 IFIBNNZUZVBRRJ-VQIMIIECSA-N 364.489 4.754 0 40 FJAB CCOC(=O)c1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 5025734 CXQOZWQLOLVIOY-UHFFFAOYSA-N 373.434 4.965 0 40 FJAB Cc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1F 5561992 GCJGKNINYALYQP-UHFFFAOYSA-N 367.405 4.554 0 40 FJAB CC[C@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 5882608 QFCVBBVIEYWCNL-ITDSCVKFSA-N 358.441 4.584 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)Oc1ccc2ccc(=O)oc2c1 6236556 WYCWUHSIAOFBQA-UHFFFAOYSA-N 360.818 4.534 0 40 FJAB Cc1nc(-c2cccc(NC(=O)CN3CCCc4ccccc43)c2)cs1 6821364 APZCKGCZENGVMH-UHFFFAOYSA-N 363.486 4.510 0 40 FJAB Cc1sc2ncnc(SCc3nc(-c4ccsc4)no3)c2c1C 7124869 IBACJAYFANQXDA-UHFFFAOYSA-N 360.489 4.712 0 40 FJAB CCc1ccc2c(CC(=O)NCCSCc3cccs3)coc2c1 7271969 IRPKWTWERRDAIQ-UHFFFAOYSA-N 359.516 4.649 0 40 FJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(-c2ccccc2)cc1 7721189 CSEGMEFIWSENKF-UHFFFAOYSA-N 369.424 4.676 0 40 FJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 8287317 BZLMUPJBXMJFMJ-JTQLQIEISA-N 354.631 4.509 0 40 FJAB O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)c1cccc(Cl)c1 8434706 MXINRXKYFBRFGF-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB COc1cccc2cc(C(=O)Nc3nc4c(F)cc(F)cc4s3)oc12 8960645 MDLCFGSJRBXKRE-UHFFFAOYSA-N 360.341 4.582 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1 9064146 BVEMZFYNPFKZBI-UHFFFAOYSA-N 360.482 4.628 0 40 FJAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1N1CCCC1 9338603 WJLFAPCZNSMQAH-UHFFFAOYSA-N 369.515 4.627 0 40 FJAB COc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 9391612 GOZCZXQKIPVERV-UHFFFAOYSA-N 371.506 4.537 0 40 FJAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Br)cc1F)C2 11375538 FYFDUOXSRPYVBW-OAHLLOKOSA-N 366.255 4.552 0 40 FJAB COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1 12371680 YTFUXZKTOFQFDX-INIZCTEOSA-N 365.454 4.810 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1cccc(Cl)c1 12560199 ASFCUAQKPQCEJU-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(Cl)cc1N1CCCC1=O 12773179 NWBBZAOBJAOKQX-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Cl)cc(C3CC3)nc21 12853727 PGMXJUOJDHXYMU-UHFFFAOYSA-N 354.841 4.795 0 40 FJAB COCc1c(C(=O)Nc2cccc3cccnc23)sc2cccc(F)c12 12927275 ISIOAHQOAHQUGD-UHFFFAOYSA-N 366.417 4.987 0 40 FJAB COc1ccc(-c2nc(NC(=O)N3C[C@@H](C)C[C@@H](C)C3)sc2C)cc1 18117505 ORRRURVEHBQXJH-BETUJISGSA-N 359.495 4.637 0 40 FJAB Cc1ccc(C)c(Cn2cnc3c(-c4cccc(F)c4)csc3c2=O)c1 23126022 KSNMGIDUYPSKRE-UHFFFAOYSA-N 364.445 4.929 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-n2ccnc2)cc1 23889576 CZBKKAOSXNLNNQ-UHFFFAOYSA-N 353.425 4.721 0 40 FJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccsc1 24104306 QRTMRNAAWPEJKJ-UHFFFAOYSA-N 356.413 4.794 0 40 FJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N(Cc1cccnc1)C1CC1 28516685 CZNDFFJCMXGWGP-UHFFFAOYSA-N 369.424 4.695 0 40 FJAB COC(=O)c1c(CSc2cccc(OC)c2)nc2ccccc2c1C 31302638 OFBXVUXPHBZIQI-UHFFFAOYSA-N 353.443 4.631 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c1C 31743360 UONLSBLIXLWNQD-NSHDSACASA-N 370.396 4.611 0 40 FJAB Cc1cc(C)cc(NC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 35291863 IHXWWNMWWYCCNK-UHFFFAOYSA-N 362.477 4.900 0 40 FJAB Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)o2)s1 37149341 XJMKXUWKHKKELM-GFCCVEGCSA-N 373.503 4.790 0 40 FJAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39743360 ARBFMJOSAVUZCL-UHFFFAOYSA-N 354.469 4.547 0 40 FJAB Cc1c(C(=O)Nc2cccc(OC3CCCC3)c2)oc2c1C(=O)CCC2 40132841 KXDOAZNETRAAQL-UHFFFAOYSA-N 353.418 4.681 0 40 FJAB COc1ccc(-c2nc(CN3CCC[C@H]3CCc3ccccc3)co2)cc1 48303755 IHQXABAQNWDXNK-NRFANRHFSA-N 362.473 4.947 0 40 FJAB Fc1ccc([C@H]2CN(Cc3coc(-c4ccccc4Cl)n3)CCO2)cc1 64399648 NAHSJCHXZDTAGN-LJQANCHMSA-N 372.827 4.708 0 40 FJAB O=C(NCCc1ccc2ccccc2n1)c1ccc(-c2ccccc2F)o1 69484637 SCRZSSKUTBCRJG-UHFFFAOYSA-N 360.388 4.606 0 40 FJAB CC(C)c1cccc(O[C@H](C)C(=O)NC[C@H](c2cccnc2)C(C)C)c1 75107325 OTCJFXQLGUIUBK-UTKZUKDTSA-N 354.494 4.528 0 40 FJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1/C(=O)Nc2ccccc21 96663095 DSBCSRHXADILGH-LICLKQGHSA-N 367.811 4.525 0 40 FJAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 100750202 LARSFAQXRPZVNA-ZRCGQRJVSA-N 371.569 4.577 0 40 FJAB Fc1cc(F)cc(-c2cnc(Nc3cc(C4CCNCC4)ccn3)s2)c1 143350039 DOQGBTOQCWABKM-UHFFFAOYSA-N 372.444 4.694 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)Nc1c(F)cccc1F 211086187 LNJKKZVAYYJQPK-UHFFFAOYSA-N 372.396 4.579 0 40 FJAB CCOc1ccc(CNC(=O)c2ccccc2SC(C)C)cc1OCC 219653000 QYUKHNUVKUHGRZ-UHFFFAOYSA-N 373.518 4.915 0 40 FJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)S1 222622186 ZKSPYLSXQPXINP-YSSFQJQWSA-N 366.534 4.978 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 222866560 ASJLFEWZMRBCTI-RBUKOAKNSA-N 353.462 4.571 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 222966612 FNFHALFUHYVQRC-LJQANCHMSA-N 369.461 4.585 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 224055775 MCLWBLZJYYXZNX-CJLVFECKSA-N 361.441 4.632 0 40 FJAB CC(C)c1ccc(CCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 225806843 YRTZHZZTANRUMN-UHFFFAOYSA-N 370.518 4.500 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2Cl)O[C@@H]2C[C@H](C)CC[C@H]21 257262883 LNLAJJXLODLLSI-YBLNHRRYSA-N 353.865 4.640 0 40 FJAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)oc2c1 408627108 KGDFLRQWWPFTQC-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB CCCN1CCCCCCCN(C(=O)C(C)C)c2ccc(C(=O)O)cc2C1 643583204 YEJNFFYEQDPYGT-UHFFFAOYSA-N 374.525 4.550 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1ccco1)c1ccco1 670841343 AUTGMARDTSUBMV-UHFFFAOYSA-N 373.836 4.632 0 40 FJAB O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)N1CCc2ccc(Cl)cc21 1312064748 PFIRXBGAMNJSJJ-HKUYNNGSSA-N 354.881 4.824 0 40 FJAB Cc1cc(OS(=O)(=O)c2ccc(Br)cc2)ccc1C(C)C 1666072303 HEHDSIPFPUCGMM-UHFFFAOYSA-N 369.280 4.649 0 40 FJAB Cc1cc(C)c2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1 1888909622 PGWLXWREKNTYLX-UHFFFAOYSA-N 354.479 4.558 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc(C)c1CC 688857 DBDOTVVFUVMEEG-DHZHZOJOSA-N 361.438 4.587 0 40 FJAB Cc1cc(NC(=O)c2cccc(Br)c2)ccc1Br 834088 DKMUXGDIEUUMAY-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1sc2nc(C)cc(C)c2c1N 888441 ZKWNHFGVZKTWQH-UHFFFAOYSA-N 353.491 4.872 0 40 FJAB Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 1369064 XXVGWFVZUKVJCY-RTBURBONSA-N 369.534 4.764 0 40 FJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCC(C)C)c(C)c3cc2c1C 2095610 BRBCFEFPFXDRLJ-UHFFFAOYSA-N 369.461 4.559 0 40 FJAB biogenic O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1ccccc1 2260029 YHXBNJGZSLRTCF-LGMDPLHJSA-N 361.422 4.672 0 40 FJAB Cc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)n1C 2618635 OZXOLENOOKKDEO-UHFFFAOYSA-N 359.882 4.615 0 40 FJAB COc1ccc(C)c2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 2713974 INYYTLOLSBRAII-UHFFFAOYSA-N 356.447 4.653 0 40 FJAB O=C(CSc1nnc2ccccn12)c1ccc(C2CCCCC2)cc1 3505475 MYVUMVXOEMRSMM-UHFFFAOYSA-N 351.475 4.752 0 40 FJAB Cc1cc2occ(CC(=O)Nc3nnc(C4CC4)s3)c2cc1C(C)C 3524246 FNNZPAIXLBIXQX-UHFFFAOYSA-N 355.463 4.775 0 40 FJAB COc1cccc2sc(Nc3nc4c(s3)C(=O)CC(C)(C)C4)nc12 4121606 XUWTXKKAIAWDQA-UHFFFAOYSA-N 359.476 4.660 0 40 FJAB Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305442 NFVOSJQJGRZTNO-HXUWFJFHSA-N 362.498 4.590 0 40 FJAB CNc1nc(N2CCCCCC2)nc(N(c2ccccc2)c2ccccc2)n1 4549773 CILCHPBMCZWZNZ-UHFFFAOYSA-N 374.492 4.764 0 40 FJAB CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccccc2)=N1 4890817 DERRTLQTGSNKQS-HXUWFJFHSA-N 369.465 4.525 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1C 5060032 OVNFNPFOHUSDKE-VFNWGFHPSA-N 367.518 4.638 0 40 FJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 5136381 PNJYRZINFIXKLI-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CC[C@@H](C)C2 5235455 MVFKPLGHSDWFLP-ZJNQMXKESA-N 373.474 4.603 0 40 FJAB C[C@H](CCc1cn(C)c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 5274529 CEMLUEHDQJJSMV-NXTQRVMMSA-N 364.533 4.832 0 40 FJAB CC(=O)c1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2F)c1 6297961 AMVMXKDMWRCTOB-UHFFFAOYSA-N 356.344 4.856 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)cc1 6938714 ZDBQFRQCUXNUAI-SFHVURJKSA-N 356.491 4.609 0 40 FJAB O=C(NCc1ccc(F)cc1)c1ccc(OCc2ccccc2Cl)cc1 7699841 ZRBIACBKXBJVOU-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB COc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc(Cl)c1O 7813585 MOHPATRPLWJMGH-GFCCVEGCSA-N 355.821 4.698 0 40 FJAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(C2CC2)nc2ccccc12 8140773 ZKBAHOHUHWJRMK-UHFFFAOYSA-N 354.356 4.966 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2c(s1)CCCCC2 8264332 TWXNDNOASPQNPA-UHFFFAOYSA-N 356.516 4.899 0 40 FJAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1C 8726760 JFKSKTOLVMASRS-UHFFFAOYSA-N 356.372 4.808 0 40 FJAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 8768665 ZZBSLWIKGVWZEO-UHFFFAOYSA-N 364.489 4.926 0 40 FJAB CN(C)C(=O)[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 9513672 YVGMASWFNZJFPC-KRWDZBQOSA-N 372.877 4.917 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10339052 QLJAXHFPRQVXKY-QGZVFWFLSA-N 366.505 4.910 0 40 FJAB c1ccc(-c2nc(-c3cnn(-c4ccccc4)n3)[nH]c2-c2ccccc2)cc1 12633659 SREWOXYPHPSUTE-UHFFFAOYSA-N 363.424 4.991 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1sc(-c2ccsc2)nc1C 12783784 OSUSMUIFBRDHMN-NSHDSACASA-N 358.488 4.680 0 40 FJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(CN2CCCCC2)cc1 12941867 IEZHLPHQKVPDMI-UHFFFAOYSA-N 369.465 4.674 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12984637 LWRUTIYEELNMQR-JXFKEZNVSA-N 351.471 4.730 0 40 FJAB COc1ccccc1NC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 12985409 NXLINGGIXDQRMA-LJQANCHMSA-N 352.459 4.976 0 40 FJAB Clc1ccc(Cc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13691838 MILVDQKMBVMDJW-UHFFFAOYSA-N 365.849 4.578 0 40 FJAB CSc1ccc(Cl)c(C(=O)NCCOc2c(C)cccc2Cl)c1 16362397 DXIQNZGVHKMKBP-UHFFFAOYSA-N 370.301 4.833 0 40 FJAB COc1ccc(-c2ccc(CN(C)CCCn3nc(C)cc3C)cc2)cc1 19719956 WHZDNNMWJGRTHK-UHFFFAOYSA-N 363.505 4.698 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20454445 NDKYIGLQJXSZSZ-RTWAWAEBSA-N 355.478 4.737 0 40 FJAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 20633114 SRSCNFXIVXMBCZ-HNNXBMFYSA-N 366.848 4.755 0 40 FJAB COc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245868 HWUZQRZTDKWDNT-UHFFFAOYSA-N 357.410 4.595 0 40 FJAB CCc1nc(COC(=O)c2ccc(-c3nc4ccccc4s3)o2)cs1 22740526 AVCNCDCQFOBZQV-UHFFFAOYSA-N 370.455 4.932 0 40 FJAB NC(=O)[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 26220274 NEXJZTPFCKSEQX-IBGZPJMESA-N 359.454 4.602 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1cccs1 27582751 OQDNYWOMAIGVMO-KRWDZBQOSA-N 362.926 4.749 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(Cl)cc1 30752163 YPHDWAOVYNHBNA-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c1 49544534 JFRMORKVQUEEDV-QGZVFWFLSA-N 367.836 4.717 0 40 FJAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)ccc1OC(C)C 49547851 PADPZKMRLLCSLY-CQSZACIVSA-N 357.454 4.558 0 40 FJAB CN(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214206 CHANUPARUNYFNF-OAQYLSRUSA-N 357.457 4.827 0 40 FJAB COc1cccc([C@H](C)Sc2nnc(C)n2CCc2cccs2)c1 72312961 YKDRFHLHIFYKAN-ZDUSSCGKSA-N 359.520 4.753 0 40 FJAB Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)cc1C 72329815 CEVJKOUKWRWJSG-UHFFFAOYSA-N 366.269 4.991 0 40 FJAB CCCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C 72414305 KUMRSYGEXHIDAV-UHFFFAOYSA-N 370.474 4.523 0 40 FJAB COCOc1ccc(OC)cc1CN[C@@H](C)c1cccc2ccccc12 89905407 YGFWNTPNZCCMGU-INIZCTEOSA-N 351.446 4.682 0 40 FJAB O=C(Nc1ccccc1)N1CC[C@]2(CCCN2Cc2ccc(Cl)cc2)C1 96089461 OTDVIMPNVSQIBT-OAQYLSRUSA-N 369.896 4.612 0 40 FJAB CC(C)c1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 102047797 JOXLJXQXXAZXMA-SFHVURJKSA-N 351.841 4.506 0 40 FJAB O=C(c1cc2ccccn2c1)N1CCS[C@H](c2ccccc2Cl)CC1 206997664 SRKRTDRXKJMASI-IBGZPJMESA-N 370.905 4.913 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)Cc2cc(C)ccc2C)cc1OCC 216359657 ANTVOXPMWMTFIE-KRWDZBQOSA-N 355.478 4.521 0 40 FJAB Cc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1C 219454166 GXEOXCIPTXXQEL-UHFFFAOYSA-N 358.441 4.836 0 40 FJAB O=C(CCc1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1 222591850 YJFXHPZWAFNSDB-UHFFFAOYSA-N 356.622 4.813 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)ccc3OC)N21 222668327 DSCIPMSKNXJGGA-JEBQAFNWSA-N 373.909 4.723 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 222866619 ASJLFEWZMRBCTI-OALUTQOASA-N 353.462 4.571 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)NCCOc1ccccc1C(C)(C)C 223667979 CTSFOJMDVOVNIU-KRWDZBQOSA-N 371.546 4.801 0 40 FJAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1 224291095 WCCMMHUGOGNYRI-UHFFFAOYSA-N 352.369 4.669 0 40 FJAB CCCCOCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 224444442 QYWYRTWLDZGZLD-HNNXBMFYSA-N 359.441 4.642 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2c1 224864576 WMPOJPUPFJVIJE-UHFFFAOYSA-N 361.850 4.611 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cn1 225863272 SVDCDHNKLRCRIK-UHFFFAOYSA-N 358.869 4.974 0 40 FJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1N 226359485 ZAWMSSFWNYBZPU-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB CC(C)SCc1nnc2sc(COc3ccc4ccccc4c3)nn12 1776111040 PLEDZRYWSAPZFS-UHFFFAOYSA-N 370.503 4.560 0 40 FJAB COc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1OC 984499 BDSKZGMMUZJQQT-UHFFFAOYSA-N 360.454 4.515 0 40 FJAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccccc1C(F)(F)F 1936110 CZPDRWLBWFIEBF-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB CSc1nc(SC)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2229683 GMSCGGDEKMBKKC-UHFFFAOYSA-N 363.533 4.535 0 40 FJAB O=C(C[C@@H](SCc1ccco1)c1ccc2c(c1)OCO2)c1ccco1 3195700 XQJKKGFPNKWGON-LJQANCHMSA-N 356.399 4.849 0 40 FJAB Cc1nc(NC[C@H](c2ccccc2)N(C)C)c2c3c(sc2n1)CCCC3 3338957 IRHSKRKWUFDUFV-QGZVFWFLSA-N 366.534 4.593 0 40 FJAB C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 3401621 UGEMZLZPQSSQAS-XHDPSFHLSA-N 374.695 4.737 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)CSC3)cc1C 4224457 CLRSQHOXGKHYDA-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1 4359511 UPNLCGNTKWPOLP-UHFFFAOYSA-N 367.518 4.512 0 40 FJAB CCCOc1ccc([C@](O)(CCN2CCCCC2)c2ccccc2)cc1 4525380 IMIOSFKKPDWRDY-QHCPKHFHSA-N 353.506 4.587 0 40 FJAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)[C@H]2C)cc1OC 4533145 WYBOVISLCPAJFV-VVYDWRJNSA-N 356.462 4.681 0 40 FJAB O=C(NCc1ccc(-n2cccc2)cc1)C(c1ccccc1)c1ccccc1 4628879 HINXVVBCSUALLA-UHFFFAOYSA-N 366.464 4.926 0 40 FJAB CC(C)(C)CC(C)(C)NC[C@@H](O)Cn1c2ccccc2c2ccccc21 4907177 CAGJYPPSBOQDCU-QGZVFWFLSA-N 352.522 4.960 0 40 FJAB COc1ccc(Cl)c2sc(NC(=O)c3ccc(Cl)cc3)nc12 5256560 QBLZMSMHRXIOSL-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccccc1 5985086 AEPFSTFAUNSBQW-UHFFFAOYSA-N 352.459 4.537 0 40 FJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 6883020 CJVRQZDHXHXXNE-UHFFFAOYSA-N 364.873 4.903 0 40 FJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)o2)cc1 7193226 RCXFZHSYBXSZJB-GFCCVEGCSA-N 372.421 4.638 0 40 FJAB CCOc1ccccc1NC(=O)c1ccccc1OCc1csc(C)n1 7920440 XGAKGRMIGDOTNV-UHFFFAOYSA-N 368.458 4.682 0 40 FJAB CCc1nc2ccccc2n1CC(=O)NC(c1ccccc1)c1ccccc1 8136255 CVGAKWDWWKHLLR-UHFFFAOYSA-N 369.468 4.505 0 40 FJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc3ccccc3o2)n1 8271451 UHBRHNUDCNQOBX-UHFFFAOYSA-N 372.837 4.567 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 8498713 FADZTTCHHXBGGN-OAQYLSRUSA-N 371.908 4.979 0 40 FJAB CC(C)[C@H](NC(=O)CCSc1ccc(F)cc1)c1nc2ccccc2[nH]1 9125674 XKBMLFWBKNSVDL-IBGZPJMESA-N 371.481 4.698 0 40 FJAB Clc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1 9530422 IUJZWJXNVSGVHZ-UHFFFAOYSA-N 363.833 4.721 0 40 FJAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1C 12796344 LSPWFCSKNOLCJA-UHFFFAOYSA-N 352.459 4.945 0 40 FJAB Cc1ccc2cc(COC(=O)c3ccc(F)cc3N)c(Cl)nc2c1C 12920747 MLGUQQSDJOJFAW-UHFFFAOYSA-N 358.800 4.583 0 40 FJAB CCCCOC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC=C2)c1 15838517 ARJCZIGRMHDUGQ-UHFFFAOYSA-N 363.413 4.572 0 40 FJAB Oc1nc(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccccc1 16777417 OIESPTMOUQLQFL-UHFFFAOYSA-N 369.428 4.655 0 40 FJAB Cc1cc(C)cc(NC(=O)COc2ccc(C3SCCS3)cc2)c1 19173227 ZWGBNJQJJPJSEK-UHFFFAOYSA-N 359.516 4.800 0 40 FJAB COc1ccc([C@@H]2[C@@H](NCc3cnc(C(C)C)nc3)[C@@H]3CCCC[C@H]32)cc1 19454160 VXFLEUOBDVRCOX-CZYKHXBRSA-N 365.521 4.671 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(CN(CC)CC)cc1 20110667 LIGCZWBJGVKQTD-HXUWFJFHSA-N 354.494 4.633 0 40 FJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)cc1Cl 20138614 GTYDMHFZNVXSLC-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB COc1ccc(-n2nc(Nc3cccc(C)c3C)c3c2CCCC3=O)cc1 20796803 GNEVWNSHOCZYMH-UHFFFAOYSA-N 361.445 4.760 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 20897410 SBOBIBAJMBJVKI-AWEZNQCLSA-N 358.507 4.945 0 40 FJAB C[C@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)n1cnc2ccccc21 30646856 AEHXLIKSONPGLV-RDTXWAMCSA-N 353.853 4.614 0 40 FJAB O=C(c1cc(-c2ccco2)on1)N(CCc1ccccc1)Cc1ccccc1 32888171 VRXDUDVZDAEWCT-UHFFFAOYSA-N 372.424 4.820 0 40 FJAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38849436 OVBCZZJQHRBBIW-QGZVFWFLSA-N 372.896 4.508 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38849568 JMOJJXHJVIMOMU-INIZCTEOSA-N 360.860 4.638 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39750455 LVDBJCQOHXPKNG-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CSCc1ccncc1 40152609 DUHAWFQETJSNPP-LBPRGKRZSA-N 369.317 4.841 0 40 FJAB CC(=O)N1CCc2cc(NC(=O)c3cc(F)ccc3-c3ccccc3)ccc21 44341307 YQYZYUYDPPWFFB-UHFFFAOYSA-N 374.415 4.654 0 40 FJAB CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 44904828 RVTPPLCDEWDFER-INIZCTEOSA-N 358.290 4.564 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C)o2)cc1 63888101 GABNQACNBNRKNC-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB CCCNc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72213164 LMKACBYLVNFNPX-IBGZPJMESA-N 353.466 4.767 0 40 FJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349647 OBDCSBWWQNEZCC-LJQANCHMSA-N 366.480 4.708 0 40 FJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357978 CSARAZZPTUBOOB-QHCPKHFHSA-N 374.459 4.718 0 40 FJAB Cc1nccc(-c2cccc(NCc3cc(Cl)cc4c3OCOC4)c2)n1 75678718 WTQHQYCFVJVDKC-UHFFFAOYSA-N 367.836 4.584 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 82157613 PKCIFZBBFGGSOO-NYYWCZLTSA-N 371.849 4.519 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1F 104490686 BITHJRXCCJZHMN-RHSMWYFYSA-N 370.811 4.728 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219549938 FJWFABQBACCWSD-YLJYHZDGSA-N 367.489 4.798 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222949859 OMLOBIKRXAAGHZ-AOMKIAJQSA-N 367.489 4.609 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)c1 224223581 RGUUTIULGHIXIA-RBUKOAKNSA-N 365.527 4.937 0 40 FJAB CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225790519 VFHNHIHNNQJXHS-IBGZPJMESA-N 373.518 4.513 0 40 FJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(F)cc1 225828048 FSSAOGFFZTYMNV-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257271336 MXWKBDVSBJMVET-IKRSMLIOSA-N 353.865 4.640 0 40 FJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1nc2ccccc2s1 390827313 WXTDEPLKGFCWOC-HNNXBMFYSA-N 356.497 4.939 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 408783195 LXLFQCWHGBDSIE-CNSVBDKNSA-N 352.503 4.972 0 40 FJAB Cc1cccc(COc2ccc(NC(=O)COc3cccc(C)c3)cc2)c1 675031266 OMGGTAXLRCJUOJ-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB CCOc1ccc2cc(C(=O)Nc3cc(OC)c4ccccc4c3)[nH]c2c1 1645267915 SNEQJYAZQDNNIE-UHFFFAOYSA-N 360.413 4.981 0 40 FJAB C[C@@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)O 876420 OWYSMCPNWNFPJM-LLVKDONJSA-N 365.886 4.534 0 40 FJAB O=S1(=O)C=C(SCc2cccc(C(F)(F)F)c2)Nc2ccccc21 1406149 RXZNUWWNTIKGCI-UHFFFAOYSA-N 371.405 4.637 0 40 FJAB O=C1c2ccccc2C(=O)N1[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 1699255 INGKDDWHNWSVEQ-TZIWHRDSSA-N 355.393 4.548 0 40 FJAB CC(C)(C)c1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1 2409307 YXIUNHVJGFIJNH-UHFFFAOYSA-N 354.504 4.803 0 40 FJAB CCN(CC)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S 3223082 YZJLWVXLYDKRHT-UHFFFAOYSA-N 374.460 4.648 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccc(C)cc2O3)cc1 4105308 KFYCRAMINSSBKJ-UHFFFAOYSA-N 372.424 4.938 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2nnc(SCc3ccccc3F)s2)c1 4328371 FEOGWDYTCRRCRO-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1OC 4880899 ZQEXHVRYBMIPTG-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB CC1(C)c2cc(F)ccc2N2CCC(O)=N[C@@]21/C=C/c1ccc(F)cc1 5340857 IQTZQFZGXPXSMI-ZUURVNMSSA-N 354.400 4.832 0 40 FJAB O=C(CCC(=O)c1ccc(F)cc1)OCc1ccc(Cl)cc1Cl 5859923 OLAHJWVUBBKNAZ-UHFFFAOYSA-N 355.192 4.839 0 40 FJAB O=C(/C=C/c1cccc(Br)c1)N[C@H]1CCCc2ccccc21 6232081 CZTQPLOSXLKJBZ-DXRVJIQQSA-N 356.263 4.656 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 6550592 VJKRBHWNWSGRQL-IRXDYDNUSA-N 358.367 4.752 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2C)cc1 6870333 XEZXJXDJNIOWMQ-UHFFFAOYSA-N 350.462 4.665 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 6940211 DNAMIDWLNVZQGF-GFCCVEGCSA-N 357.435 4.574 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1csc(-c2ccsc2)n1 7116784 MEYHFCZQWZXXBA-UHFFFAOYSA-N 371.512 4.754 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccncc2)nc2ccccc12 7737602 SMWKQHUAFGBKBX-INIZCTEOSA-N 365.436 4.888 0 40 FJAB O=C(Cc1ccccc1F)Nc1nc(-c2ccco2)c(-c2ccco2)s1 8193988 IRHAPMQBUACNJY-UHFFFAOYSA-N 368.389 4.983 0 40 FJAB C[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1cc2ccccc2o1 8557369 NAUSUCSMXZRAQC-NSHDSACASA-N 364.228 4.996 0 40 FJAB Cc1cc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2cc1C 8868812 SWNKHLBXECTZHS-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB O=S(=O)(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc(Cl)c1 9216677 VMUBTUGYRUEWST-CQSZACIVSA-N 374.314 4.509 0 40 FJAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2-c2ccoc2C)on1 12251492 QSUXVFBWHDGGAW-UHFFFAOYSA-N 364.380 4.760 0 40 FJAB Cc1c(Cl)cccc1NC(=O)NCc1ccccc1Br 17073245 FSPJBZHGPVFBKA-UHFFFAOYSA-N 353.647 4.733 0 40 FJAB CN(Cc1ccsc1)C(=O)c1ccccc1OCc1ccc(F)cc1 17370980 QCAHTYUAXGPQTM-UHFFFAOYSA-N 355.434 4.738 0 40 FJAB COC(=O)c1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1Cl 20485324 FMIZQQKJVLPNMY-UHFFFAOYSA-N 369.804 4.541 0 40 FJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 20492494 LTLBWVNMYJPOCD-INIZCTEOSA-N 358.290 4.564 0 40 FJAB COc1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 32935963 IPTLTCHDVWVPOT-FQEVSTJZSA-N 356.441 4.565 0 40 FJAB Cc1ccc(C)c(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 38755232 VMTCYUWMWRVCAF-XMMPIXPASA-N 359.469 4.896 0 40 FJAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(C)cc1C 44856727 UDVBVEAESNBZQT-QFIPXVFZSA-N 361.489 4.738 0 40 FJAB Fc1ccc(CNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 57740547 ZHFCMLHZDWKGTC-UHFFFAOYSA-N 356.404 4.957 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71280332 BQPJGIHYLTZJLE-INIZCTEOSA-N 369.465 4.594 0 40 FJAB Cc1oc(-c2ccco2)nc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 84052850 ZWYIAUAFXMOWJN-UHFFFAOYSA-N 372.837 4.974 0 40 FJAB Cc1sc(-n2c(C)ccc2C)c(C(=O)N(C)CCC(F)(F)F)c1C 89652253 UICCRULAWDXXRP-UHFFFAOYSA-N 358.429 4.797 0 40 FJAB O=C(Nc1cc(-c2cccs2)no1)c1cccc(Oc2ccccn2)c1 96122644 DWFAYAFLXJEGHV-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB CC(C)[C@H](O)c1cccc2c1c(Br)cn2C(=O)OC(C)(C)C 96509797 RZZGJSRQKZLDSJ-HNNXBMFYSA-N 368.271 4.876 0 40 FJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc2ccccc2o1 206897850 PXQMKOJMROQLDO-UHFFFAOYSA-N 353.381 5.000 0 40 FJAB CCOc1ccc(CCCNC(=O)COc2ccccc2C(C)(C)C)cc1 222800312 LCAZWLDFRILQAB-UHFFFAOYSA-N 369.505 4.511 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1 222894425 VPCXVJBPNBLTEP-FQEVSTJZSA-N 369.461 4.530 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc2c(c1)CCCC2 223072936 OLODNNXBMJCSOX-HTAPYJJXSA-N 351.490 4.909 0 40 FJAB COc1ccc(C(=O)NCCC(C)C)cc1COc1cc(C)cc(C)c1 224198347 BJRUCPONKHXMKN-UHFFFAOYSA-N 355.478 4.667 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(C)c(C)c1 224617848 ORWNTPKODNNQLI-UHFFFAOYSA-N 367.489 4.954 0 40 FJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1 224875298 FIOPIGOGQDYUCI-UHFFFAOYSA-N 371.234 4.675 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC1CCCCC1 225212039 IPRKWHDWXCFTTB-QFIPXVFZSA-N 373.537 4.578 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801444 YEKNYZURKOZWGY-UHFFFAOYSA-N 367.424 4.572 0 40 FJAB CCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)c2ccccc21 409119572 SWJIROCNZLSOQM-ZHZULCJRSA-N 359.425 4.764 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2C)cc1 409172142 IJZUHTJMRYGVTN-QGZVFWFLSA-N 359.560 4.834 0 40 FJAB C[C@]1(Cc2cccc3ccccc23)CCCN1Cc1ncccc1C(=O)O 659803170 FKSAFBVXDLRHNO-HSZRJFAPSA-N 360.457 4.530 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)Cc3ccc4cccnc4c3)ccc2o1 1595644388 RZEBZVHTJVIYCX-UHFFFAOYSA-N 359.429 4.855 0 40 FJAB CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cc(-c2ccccc2)no1 1678154157 FJJZOMIGASNHJD-IEBWSBKVSA-N 369.509 4.993 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(OC)c1 803482 SSKLNCNUGWJPFQ-UHFFFAOYSA-N 357.793 4.870 0 40 FJAB CCOCCCNCc1cc(Cl)ccc1OCc1ccccc1F 2178106 ZKEKYIASRXMCMP-UHFFFAOYSA-N 351.849 4.574 0 40 FJAB Clc1ccc(C2=CSC3=NNC(c4ccco4)=CN23)cc1Cl 2274834 CASMDEHAXHQKQA-UHFFFAOYSA-N 350.230 4.806 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1 2431322 FNPSBPCUXLZQDQ-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(F)c(F)c2)cc1 2626705 OTLLBUIRIWBHJS-UHFFFAOYSA-N 358.413 4.886 0 40 FJAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1 3226691 BHIMUZPVEUKJSP-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB C[C@H]1CCCC[C@H]1NC(=S)NC(=O)c1sc2ccccc2c1Cl 3304765 IOHVPGUCACLZMB-CMPLNLGQSA-N 366.939 4.738 0 40 FJAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3)sc2c1 3322546 OZHUOAZMBQCLFF-GFCCVEGCSA-N 358.488 4.814 0 40 FJAB CC1CCN(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 3325074 ZNLUFHCQFGLOLY-HXUWFJFHSA-N 361.570 4.872 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)c1cccc3ccccc13)CSC2 4077255 IYLSFIMFBCQLLC-UHFFFAOYSA-N 351.475 4.790 0 40 FJAB Clc1cccc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)c1 4161667 SGQDFCGXKQUJTR-UHFFFAOYSA-N 367.239 4.822 0 40 FJAB CC1(C)C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2c2c1ccc1ccccc21 4652836 VJZSQEZLBSSNBX-GOSISDBHSA-N 357.409 4.921 0 40 FJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)cc1 5435175 ZIFVJUOZYMUBLM-AWEZNQCLSA-N 368.458 4.807 0 40 FJAB Cc1ccc(N(C)C(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1C 6044481 SBWQDQLRPDFINK-UHFFFAOYSA-N 350.491 4.697 0 40 FJAB CCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 6836079 MDPYNMNVUYYRJQ-UHFFFAOYSA-N 365.304 4.935 0 40 FJAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3cccs3)n2)cc1 7643894 LNFMFIBKNDDBKU-CYBMUJFWSA-N 356.516 4.996 0 40 FJAB Cc1nnc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)o1 8429017 RUUWZUWJQCKZSQ-UHFFFAOYSA-N 373.457 4.573 0 40 FJAB O=C(OCc1nc2ccccc2o1)c1cc(-c2ccco2)nc2ccccc12 8514802 CBDUVWZKMPMJFU-UHFFFAOYSA-N 370.364 4.993 0 40 FJAB CC1(C)COc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2NC1=O 8959223 DPSIEPLBCSCCSZ-UHFFFAOYSA-N 366.461 4.594 0 40 FJAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 9431814 IQIIWPWHYPKJPR-UHFFFAOYSA-N 356.278 4.846 0 40 FJAB CCOC(=O)c1c(C)n(CCCOC(C)C)c2c1cc(O)c1ccccc12 9435187 NKRXBPNMOQSLRN-UHFFFAOYSA-N 369.461 4.800 0 40 FJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)o1 10213940 QGNUQOFBCFPDCT-UHFFFAOYSA-N 369.446 4.558 0 40 FJAB COc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c(OC)c1 12323112 QCMPYJRAAHJLLU-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C(C)(C)C)ccc1O 12923243 IWEQIOKRZIPCRZ-UHFFFAOYSA-N 367.474 4.769 0 40 FJAB CC(C)n1ncc2cc(C(=O)Oc3ccc(Cl)cc3Cl)cnc21 14711071 ZRIMGRQYKFHWQG-UHFFFAOYSA-N 350.205 4.538 0 40 FJAB O=C(Nc1cccc(Cl)c1F)c1cccc(OCc2cscn2)c1 16707859 YRACZENXZKULDY-UHFFFAOYSA-N 362.813 4.767 0 40 FJAB CC[C@@H]1[C@@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 16953218 QFCVBBVIEYWCNL-JNZMBRMSSA-N 358.441 4.584 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1Cl 20344983 YZSYCRUCLMTIDK-MRVPVSSYSA-N 359.640 4.635 0 40 FJAB COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3ncnn23)cc1 20635885 DEJKCTYVJPOPKC-UHFFFAOYSA-N 352.397 4.620 0 40 FJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)c1C 21801727 LMSQTTIECMJENZ-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)NCCC3=CCCCC3)n2)cc1 23391949 CUJGNPGLGXYLMR-UHFFFAOYSA-N 367.493 4.799 0 40 FJAB C[C@H]1c2ccsc2CCN1C(=O)Cc1csc(-c2ccsc2)n1 25382388 VLOYVVFGBUBBKD-NSHDSACASA-N 360.529 4.622 0 40 FJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(C)cc2C)cc1 27027205 UYSALMJSKLFPBT-UHFFFAOYSA-N 352.503 4.794 0 40 FJAB C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 28654811 SGZYTGWBJJEJCU-ZIAGYGMSSA-N 363.379 4.622 0 40 FJAB FC(F)(F)[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 29118815 NBSUTKVDXVVSSV-MRXNPFEDSA-N 359.395 4.776 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c(C)c1 30751399 JCSACZSCXPHMSM-LJQANCHMSA-N 369.461 4.585 0 40 FJAB C[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1 32832994 PTVLITYRLZQMLY-AWEZNQCLSA-N 370.905 4.807 0 40 FJAB Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 32968964 WJCHCBDZXQPCNT-UHFFFAOYSA-N 372.468 4.828 0 40 FJAB Cc1cccc(C)c1OCCn1c(CCC(=O)O)ccc1-c1cccs1 33728337 ZFCPCNMGRZQSMV-UHFFFAOYSA-N 369.486 4.930 0 40 FJAB Cc1ccc(Oc2ccc(N(C)C(=O)Nc3ccc(Cl)cc3)cc2)nn1 38670821 NINHGJGSCSRENW-UHFFFAOYSA-N 368.824 4.899 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38833398 MMTZZBNAMWUZQO-GOSISDBHSA-N 356.897 4.808 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38834317 YPECPTAEEFQRBL-KRWDZBQOSA-N 352.478 4.570 0 40 FJAB O=C([C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 38835757 CODTZFPFBJMNDI-HNNXBMFYSA-N 369.336 4.608 0 40 FJAB C[C@@H](NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1 40096768 FHUILMHLRRCJAQ-ZCFIWIBFSA-N 364.701 4.918 0 40 FJAB C[C@H](c1ccccc1F)N(Cn1nc(-c2ccccc2)[nH]c1=S)C1CC1 40158168 ZVXMEXQJMBUPRG-CQSZACIVSA-N 368.481 4.930 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(OCc2cccnc2)c1 48355220 ALJYVULHPLYIRA-UHFFFAOYSA-N 356.784 4.705 0 40 FJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1 59459843 QWWKSPPWDHFHBO-UHFFFAOYSA-N 365.694 4.835 0 40 FJAB O=C(c1cccc(-n2cccc2)c1)N(Cc1ccc(F)cc1F)C1CC1 84606484 OHJAONZBYDVYAB-UHFFFAOYSA-N 352.384 4.560 0 40 FJAB Fc1cccc(Cl)c1CN1CCN(c2ncc(Cl)cc2Cl)CC1 95950755 JBAWXIGHJIORHW-UHFFFAOYSA-N 374.674 4.503 0 40 FJAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)C2CCCCC2)C3)cc1 100425238 KCBCXSLTVXTFQT-VXKWHMMOSA-N 354.538 4.577 0 40 FJAB CSc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 178567095 PWQXYCISEXMTNX-UHFFFAOYSA-N 361.879 4.833 0 40 FJAB O=C(c1cc(-c2cccs2)on1)N1CCS[C@H](c2ccccc2)CC1 206989330 ICNCOOSXSRKERB-KRWDZBQOSA-N 370.499 4.724 0 40 FJAB Cc1cc(OCC(=O)NCCSC2CCCCC2)cc(C)c1Cl 218919084 UABYRTHSXTWSGS-UHFFFAOYSA-N 355.931 4.518 0 40 FJAB COC(=O)c1c(NC(=O)CCc2ccc(C)c(C)c2)sc2c1CCCC2 223331648 XBTDAYTVHYGINX-UHFFFAOYSA-N 371.502 4.602 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223466696 RLHZBDFMIWYHHW-UWJYYQICSA-N 355.478 4.655 0 40 FJAB CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 223579695 RCANZWOAYJQFCT-OAQYLSRUSA-N 351.490 4.638 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224282074 XEUMZNKIBXDVMF-UHFFFAOYSA-N 365.408 4.958 0 40 FJAB CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2ccccc2c1 225063567 ZKKXSIXYIJTKDC-UHFFFAOYSA-N 366.269 4.972 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225133635 XCNDXVRAYUAUGF-DHZHZOJOSA-N 352.459 4.604 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 225291359 AIIOQQHCBPHKAV-UHFFFAOYSA-N 371.786 4.834 0 40 FJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)cc1 225595413 BJJMIRZENFBRRZ-NRFANRHFSA-N 369.461 4.510 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c(C)c1 225662041 UECLRUSLZUYCEN-UHFFFAOYSA-N 369.461 4.864 0 40 FJAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(Cl)c1 589285626 FKQUOGNADIXETD-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1026996 KSTUPMBQFYRFPW-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB COc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 1732168 QNGYMBJLOVYSBC-UHFFFAOYSA-N 360.624 4.673 0 40 FJAB CCCC(=O)Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1 1797107 TZKFHPCJQPIZQT-UHFFFAOYSA-N 367.367 4.902 0 40 FJAB CCc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 2723675 WJTFDGYXBJPFPA-UHFFFAOYSA-N 371.893 4.819 0 40 FJAB CC(C)Cc1ccc([C@H](C)NC(=O)c2cc(F)c(F)c(F)c2F)cc1 3336693 XSAMSRQFECFEBE-NSHDSACASA-N 353.359 4.933 0 40 FJAB Cn1c(NC(=O)c2ccccc2)c(-c2ccccc2F)c(=O)c2ccccc21 5346753 GERUVDMWHSUFDJ-UHFFFAOYSA-N 372.399 4.597 0 40 FJAB Cc1c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)oc2ccccc12 5405878 ISKIKQHXSZZGME-HXUWFJFHSA-N 365.429 4.640 0 40 FJAB CC(=O)O[C@H]1c2cc(Br)ccc2O[C@@H](c2ccccc2)[C@@H]1C 5534476 HFTDLEDPSINFHJ-UZCIPKQKSA-N 361.235 4.823 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 6949578 DADITNUWBLDWIA-UHFFFAOYSA-N 374.912 4.816 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 7072998 OPBMILQMXRYKDB-MRXNPFEDSA-N 368.477 4.812 0 40 FJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1c(Cl)cccc1Cl 7108695 YKIFGZGABNZQOC-UHFFFAOYSA-N 367.272 4.936 0 40 FJAB CN1CCN(c2nc(-c3c(-c4ccccc4)[nH]c4ccccc34)cs2)CC1 7845138 UYWCGQRPCCVPQS-UHFFFAOYSA-N 374.513 4.710 0 40 FJAB CC(C)(C)C(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 7998252 CEBUOQLYKJAINM-UHFFFAOYSA-N 363.413 4.781 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c(C)c1 8040577 GOBXVYPKJUXDMT-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1SC(F)F 8192353 HGTCOBPLOLZXNZ-UHFFFAOYSA-N 363.433 4.639 0 40 FJAB C[C@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 8303998 ZLQVFBTUPCKBTE-OAHLLOKOSA-N 354.450 4.567 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccc(NC(C)=O)cc1 9154580 SVZWXVRRHQJIJM-UHFFFAOYSA-N 358.869 4.604 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1C[C@@H]1c1ccccc1Cl 9221307 FVYWHNMZQUCIEI-ZIAGYGMSSA-N 355.850 4.601 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1 10258085 JANHPCDXRVNDHX-UHFFFAOYSA-N 350.462 4.573 0 40 FJAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)cc1 10338873 UQIHLHGZAAORDO-HNNXBMFYSA-N 366.848 4.755 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Br)cc1 11637169 WBVLYFCYRRBXCF-KRWDZBQOSA-N 362.267 4.862 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 12772519 JVCNKACFYWAVRT-ZDUSSCGKSA-N 373.909 4.717 0 40 FJAB O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 12907056 ANQMISBYUBVUEU-UHFFFAOYSA-N 372.424 4.623 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCc1c(C)nc(SC)nc1C 12986019 PJSLWHZESYVQBY-UHFFFAOYSA-N 357.523 4.511 0 40 FJAB COc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19324100 YJEBQKGDMLAINU-UHFFFAOYSA-N 358.485 4.712 0 40 FJAB OC(CNCc1cccc(Cl)c1)(c1ccc(F)cc1)c1ccc(F)cc1 20365911 XSDLPBJYDLYURS-UHFFFAOYSA-N 373.830 4.644 0 40 FJAB C[C@H]1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccc(F)cc3)c2C1 20672209 JCSOIQVSJYPVKL-GFCCVEGCSA-N 353.372 4.659 0 40 FJAB C[C@H]1CCc2sc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2C1 23074136 VSLGBYVCDCRSBD-KSSFIOAISA-N 371.502 4.683 0 40 FJAB Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1 23140481 PEFQHUWWBPLERS-AWEZNQCLSA-N 368.462 4.518 0 40 FJAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C1CCC1 28304545 GETIIXPXPGOIED-UHFFFAOYSA-N 368.264 4.582 0 40 FJAB C[C@@H]1CCCC[C@H]1NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 35075098 ZHNJYJRWQXTHLL-GQIGUUNPSA-N 374.956 4.703 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)c1C 36616991 WQQSDFMHVBULFM-UHFFFAOYSA-N 356.429 4.504 0 40 FJAB O=C(COc1cccc(Cl)c1)Nc1nc(-c2cccs2)cs1 36841853 YJBRIJVNXMUDIU-UHFFFAOYSA-N 350.852 4.543 0 40 FJAB COc1cc(C)c(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 42472325 PEAUMXHTVRSOLM-CYBMUJFWSA-N 371.412 4.683 0 40 FJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@H]1c1ccsc1 44539248 ZHQOYKMMEZWNEB-SFHVURJKSA-N 350.443 4.913 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 64983002 FGABNWQVIBYJPQ-GOSISDBHSA-N 352.478 4.700 0 40 FJAB COc1ccc(OCc2ccccn2)c(-c2nc3cc(C)ccc3n2C)c1 65887172 JEACMGHJJXLVFG-UHFFFAOYSA-N 359.429 4.531 0 40 FJAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(Cl)cc1Cl 80345853 AMNRGXNLBQNSFW-AWEZNQCLSA-N 352.261 4.889 0 40 FJAB COc1ccc(-c2cc(C(=O)N(C(C)C)C3CC3)c3ccccc3n2)cc1 84597216 IYBUMARTIDZITG-UHFFFAOYSA-N 360.457 4.923 0 40 FJAB C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(F)cc(C(F)(F)F)c1 93889567 UFGCVWOJVJAZIE-XELLLNAOSA-N 373.415 4.775 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NCc1cccc(Oc2ccccn2)c1 96382612 DEIUYHMQNZPUTF-UHFFFAOYSA-N 370.811 4.525 0 40 FJAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3ccc4c(c3)N(C)CCC4)c2c1 141536587 XJEHDDQIZJDKPQ-UHFFFAOYSA-N 361.489 4.657 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2OC(C)C)cc1 219740893 ZIOSRLIKZJKFMJ-UHFFFAOYSA-N 355.478 4.624 0 40 FJAB CCOC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl 222630744 POWGGFPPLXCZTQ-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB COc1ccc(-c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(C)n2)cc1 223142202 VCDUTZDWTYZMCT-UHFFFAOYSA-N 371.799 4.505 0 40 FJAB CCc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 223430669 VPCIZAMKCKYABR-OQKWZONESA-N 361.441 4.578 0 40 FJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1C 223437671 GMTWWKRMBZCHEC-LJQANCHMSA-N 350.506 4.699 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 223645156 SOLKUAOPFDHGKY-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2F)c1 224406263 AKTDMJCYYQVUJH-UHFFFAOYSA-N 363.860 4.558 0 40 FJAB CCc1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224933238 OOMBHVRYCAITCV-UHFFFAOYSA-N 358.290 4.771 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 225059899 LNRZTLULKDWQFV-GOSISDBHSA-N 373.880 4.918 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225360204 UMDPPAFNNNMBNA-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB CCCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCC)c(C)c1 225908539 LOOFWBKEPJUALK-FQEVSTJZSA-N 350.503 4.883 0 40 FJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc(Cl)c2)n1 225917597 WZZPFMDHOUQHGQ-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408659998 LCWCJYRXDFOLTE-KRWDZBQOSA-N 365.473 4.559 0 40 FJAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccccc4)cc3cc21 575473310 XOJAPIHESGLECA-CQSZACIVSA-N 361.441 4.746 0 40 FJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1nc2ccccc2s1 585146717 GVLBXQMZXXFJBY-LBPRGKRZSA-N 354.456 4.513 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 780284 KQWZKSUSPIFUCU-LJQANCHMSA-N 350.805 4.817 0 40 FJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1OC 849036 QPYUNLAMMJPSBH-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB Cc1cc(C)c2nc3sc(C(=O)N4CCC[C@@H](C)C4)c(N)c3cc2c1 1342941 PXAIFCQVBFOTAC-LLVKDONJSA-N 353.491 4.521 0 40 FJAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1369109 VPDDYYRSEVJSKU-ROUUACIJSA-N 373.497 4.594 0 40 FJAB CCOC(=O)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 2036609 VBMGIVNENCSOSC-NRFANRHFSA-N 359.425 4.899 0 40 FJAB CCCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 2742098 XUGRSDMBWGBOGN-OAHLLOKOSA-N 356.476 4.605 0 40 FJAB O=C(O)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 3135966 FONQZIKOBUCOIK-UHFFFAOYSA-N 368.392 4.852 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3216483 XYPGOSQHNSHDAA-CQSZACIVSA-N 359.853 4.578 0 40 FJAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c1 3217086 MUKPYZWKYGWGAL-UHFFFAOYSA-N 373.452 4.695 0 40 FJAB CCC(=S)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 3787812 CNWANTXFMDITNZ-UHFFFAOYSA-N 352.547 4.938 0 40 FJAB COc1cccc(CN2C[C@H]3CCCN3c3ccc(C(F)(F)F)cc32)c1 4050358 QSLPJUODIPZBMD-MRXNPFEDSA-N 362.395 4.703 0 40 FJAB O=C(COC(=O)c1cc2ccccc2o1)Nc1c(Cl)cccc1Cl 4332574 OYSOWSCNZAOHDJ-UHFFFAOYSA-N 364.184 4.535 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H]2CCCN2C23CC4CC(CC(C4)C2)C3)c(C)c1 4672949 BFFNCKPHSZVHRB-PJVWNMJMSA-N 366.549 4.984 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1nonc1-c1ccc(Cl)cc1 5452076 UNKIWRDWDAXHPE-UHFFFAOYSA-N 363.804 4.724 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OCC 6649575 KNEYADMGQSOTNP-IRXDYDNUSA-N 355.478 4.855 0 40 FJAB O=C(/C=C/c1ccc2ccccc2n1)Oc1ccc(Br)cc1 6832191 OZLBPYXMCSBHOL-FMIVXFBMSA-N 354.203 4.616 0 40 FJAB CC(C)Oc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603090 SQUAWGGTCFTBFX-BOPFTXTBSA-N 355.415 4.833 0 40 FJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 7720237 URMFUBCAYUUMBS-UHFFFAOYSA-N 363.461 4.615 0 40 FJAB Cc1csc(N(C(=O)c2cc(Cl)c3c(c2)OCO3)c2ccccc2)n1 8184360 ZXXUHAZUYLUPCX-UHFFFAOYSA-N 372.833 4.812 0 40 FJAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccccc1F 11897537 HDWVEZKWJRNVRA-MRXNPFEDSA-N 373.431 4.998 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1cccc(Cl)c1 12770488 BTFPVPKJPRAJIT-NSHDSACASA-N 357.866 4.658 0 40 FJAB O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2ccc(Br)cc2)o1 12884722 VKVYCNKJXRRUCK-CYBMUJFWSA-N 360.251 4.682 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C)cc1 12945871 JMYKDUWRMRQCPI-OAQYLSRUSA-N 352.478 4.559 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 13709787 HZSYHZQVDGOJFT-INIZCTEOSA-N 357.881 4.589 0 40 FJAB COc1ccccc1-c1cc(CSc2ncnc3sccc23)on1 14158285 SJKSNQBZYKJKPX-UHFFFAOYSA-N 355.444 4.647 0 40 FJAB Fc1ccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 17252819 KEGAZDCJYGMODU-UHFFFAOYSA-N 362.255 4.883 0 40 FJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 18155793 BQPYTAHDNRGLSY-KPOBHBOGSA-N 361.441 4.797 0 40 FJAB O=[P@](O)(CCc1ccccc1)[C@H](NCc1ccccc1)c1ccccc1 20566952 LGAYKRRLZVMOOE-QFIPXVFZSA-N 365.413 4.988 0 40 FJAB Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)c3cnccn3)nc2c1 21273334 ZZAOALJAJTVXSE-UHFFFAOYSA-N 374.469 4.550 0 40 FJAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc2)cc1 22514158 POKJTPTUNUXKLP-XXBNENTESA-N 359.469 4.977 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc2ccccc2c1 22748867 PKPCITXYBFZSBL-UHFFFAOYSA-N 357.812 4.670 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 23058369 DCGGEHAGCMEYAU-HOCLYGCPSA-N 367.493 4.906 0 40 FJAB CC[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 24132817 IFRGEXIFEFPNPG-CYBMUJFWSA-N 374.506 4.842 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 25213975 VXECXYFPPRJRQH-LLVKDONJSA-N 372.774 4.986 0 40 FJAB COc1ccc(-c2csc(NC(=O)Nc3cccc(C)c3)n2)cc1OC 27752817 ZISHSEZDVCJRDI-UHFFFAOYSA-N 369.446 4.780 0 40 FJAB O=C(Oc1ccc(Cl)cc1)c1csc(COc2ccc(F)cc2)n1 29460945 SBAOXAUQEVOVOD-UHFFFAOYSA-N 363.797 4.734 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)s1 30391887 VLXWSYVZCSGHTE-UHFFFAOYSA-N 369.417 4.921 0 40 FJAB C[C@H](NC(=O)c1ccccc1SCC(F)(F)F)c1ccc(F)cc1 32936704 UZQUTYTZQWEKCS-NSHDSACASA-N 357.372 4.971 0 40 FJAB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)o1 35646954 QTEDINBOUXQGMN-QPEQYQDCSA-N 353.230 4.786 0 40 FJAB CCCCn1nc(C)c(/C=C/C(=O)N[C@H](C)c2cccs2)c1Cl 36333360 HOOZDRGRAQKECV-MMQHEFTJSA-N 351.903 4.597 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H](c1ccccc1)C1CC1 36638308 DWTYDVXPIMNPAW-QDEBQFNMSA-N 371.484 4.770 0 40 FJAB COc1cc(C=O)cc(Br)c1OCc1ccc(F)cc1Cl 36815122 CNXNGGRQICLNAW-UHFFFAOYSA-N 373.605 4.642 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)cc1 39759255 PMPGRINQZWMGFA-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB Cc1nc2ccc(NC(=O)[C@@H](C)Oc3cccc(C(C)(C)C)c3)cc2o1 58394133 YTEVDXYOMGKVRO-CYBMUJFWSA-N 352.434 4.840 0 40 FJAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccc(Cl)s2)CC1 72310591 LVTLMKKSXNEDGQ-ZDUSSCGKSA-N 367.946 4.566 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc12 79027432 JOUDBMSAVXEVPW-UHFFFAOYSA-N 369.383 4.561 0 40 FJAB CCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(C)=O)c3)n2)cc1 101582990 TWGPVDJFGTWLOD-UHFFFAOYSA-N 365.458 4.784 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113955139 LMFMOFQNXYNQON-MOPGFXCFSA-N 361.869 4.774 0 40 FJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1cc(C=O)c2ccccc21 216853740 SFHICDRKTNFGRU-UHFFFAOYSA-N 362.212 4.788 0 40 FJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224323489 MLADTKMNBBHHFB-MOPGFXCFSA-N 365.527 4.883 0 40 FJAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1cccc(Cl)c1 224485660 HXODBYSYQZHLMR-UHFFFAOYSA-N 373.880 4.990 0 40 FJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCCc1ccc(F)cc1 225335023 XUNOYVTUTDPUGY-UHFFFAOYSA-N 354.252 4.814 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)c1cc(C)c(C)cc1C)CC(C)(C)O2 225650534 IOVJVBURTNLALT-LJQANCHMSA-N 353.462 4.653 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2cccnc12 225895649 FQMOACYSXPNTND-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1OC 408562480 PYUVLOOFTOSGMI-DQRAZIAOSA-N 366.486 4.603 0 40 FJAB Cc1ccc(C(=O)Oc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 634568 QLGYUDNSMOOZLU-UHFFFAOYSA-N 352.386 4.834 0 40 FJAB biogenic CC(=O)Oc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 671076 WZSKOYPKYKDWFC-UHFFFAOYSA-N 362.410 4.627 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 835694 MQENJTZHVCZQKB-UHFFFAOYSA-N 351.427 4.844 0 40 FJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1C 852459 WNNQSIQNFDKUIE-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1 1378890 IQAVXPVSTQXDJG-UHFFFAOYSA-N 371.849 4.610 0 40 FJAB O=C(Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 1510034 LHDISGXLIKBJQP-UHFFFAOYSA-N 373.437 4.801 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCCC2 2486377 VJBMQXXFTPXWFG-UHFFFAOYSA-N 361.463 4.738 0 40 FJAB O=c1c2c3c(sc2[nH]c(=S)n1C/C=C/c1ccccc1)CCCC3 2705119 ILCVKYDKFIKTLW-RMKNXTFCSA-N 354.500 4.713 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 2790418 RWWHKCWBZYFBHI-KRWDZBQOSA-N 356.422 4.745 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 3045104 OTAXJJWXXTZKEF-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)c1cccc(Br)c1 3108165 QDRFMOKRFDBMOV-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB C[C@@H]1CCCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)C1 4971295 QDUSVAUUGPYNFX-CQSZACIVSA-N 356.466 4.762 0 40 FJAB CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CC/C2=C\c1ccccc1 5592837 ARKSBZLVQWKAQN-OBGWFSINSA-N 358.441 4.844 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3)c2)cc1 6204383 LILOBPHKGXQPEN-QGZVFWFLSA-N 359.425 4.898 0 40 FJAB COc1cc(CCC(=O)Nc2ccccc2C(C)(C)C)cc(OC)c1OC 6232474 HUNOSXNTCISUBD-UHFFFAOYSA-N 371.477 4.581 0 40 FJAB CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(C)cc32)cc1 6600840 RKBFVSJQNNTGFU-UHFFFAOYSA-N 361.470 4.889 0 40 FJAB CCOc1ccc(-c2nc(NC(=O)c3sc(C)nc3C)sc2C)cc1 6767548 WXZOGEVSVZLSGG-UHFFFAOYSA-N 373.503 4.843 0 40 FJAB CC(C)c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 6786108 JYAIJVWVYZVLTM-UHFFFAOYSA-N 358.898 4.728 0 40 FJAB O=c1c2ccccc2cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 6942884 OGBKETAIFMXXJA-UHFFFAOYSA-N 359.134 4.711 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)o2)cc1 7160998 RCCJCJZISAUXDF-UHFFFAOYSA-N 367.474 4.765 0 40 FJAB Cc1ccc(C2=N/C(=C/C=C3\N(C)c4ccccc4C3(C)C)C(=O)O2)s1 7777537 IVAGFIDSXFPHEQ-ZDUOWODESA-N 364.470 4.555 0 40 FJAB C[C@H](SCc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 9614223 OZUHBHBYXGNLHZ-LBPRGKRZSA-N 371.399 4.783 0 40 FJAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)[nH]c1ccccc12 9995206 SXPJTDFNODJNEF-AWEZNQCLSA-N 360.413 4.736 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCCC2)cc1 10433869 IAJXCGJKMIDMQI-UHFFFAOYSA-N 373.294 4.687 0 40 FJAB CC(C)OCCCNCc1cc(Cl)ccc1OCc1ccccc1F 13721800 BZRGKPWRRGSVLE-UHFFFAOYSA-N 365.876 4.963 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 14136557 AJMGCWPXJZYWCL-UHFFFAOYSA-N 374.799 4.714 0 40 FJAB CCOc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c2cccnc12 15840817 WNOAWHCLPQRAKB-UHFFFAOYSA-N 370.836 4.613 0 40 FJAB Cc1cc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1Cl 23718873 IGVVJHXJCOQOJF-HOTGVXAUSA-N 372.896 4.510 0 40 FJAB CCC(=O)Nc1ccc(-c2nc3cc4c(cc3c(C)c2Cl)OCO4)cc1 24513227 XDTXRRWNZVTHLS-UHFFFAOYSA-N 368.820 4.941 0 40 FJAB O=C(COc1ccc(F)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 27795322 CKUBUIAYBUJYFD-UHFFFAOYSA-N 359.784 4.684 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc4ncsc4c3)ccc2[nH]1 32721219 REWZSQSHAOLCBE-UHFFFAOYSA-N 350.447 4.722 0 40 FJAB C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccccc1F 32794965 AMEXBSPDRFRRLG-LBPRGKRZSA-N 370.346 4.627 0 40 FJAB CC(C)(C)[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1cccs1 48311921 HHSDMBKIZHUMTA-INIZCTEOSA-N 373.478 4.614 0 40 FJAB Cn1ccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 52528170 VMGRZAFQHATPMH-LJQANCHMSA-N 371.893 4.535 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(F)cc1)NC2 55028087 HFEAFVSCMHIRPR-JOCHJYFZSA-N 366.436 4.606 0 40 FJAB CC(=O)Nc1c(C)ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1C 56690020 RWXAXHXXWRQLLP-FQEVSTJZSA-N 365.477 4.939 0 40 FJAB COc1ccc(NCc2nnc(-c3ccccc3Cl)o2)cc1Cl 62649560 GNICHVONCNWAHT-UHFFFAOYSA-N 350.205 4.664 0 40 FJAB CC(=O)NCc1ccc(-c2csc(Nc3ccccc3C(C)C)n2)o1 69532347 CMALEDXAQGHNEA-UHFFFAOYSA-N 355.463 4.906 0 40 FJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(N(CC)CC)nc1 71844375 KCKPDLAKDRADHN-SFTDATJTSA-N 365.521 4.726 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C 72272859 VBLZVNNAKXXYRG-MOPGFXCFSA-N 373.924 5.000 0 40 FJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2)cc1 72370023 WQKOXYXMLAKKSH-GOSISDBHSA-N 366.505 4.818 0 40 FJAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(F)c1 78536323 PPYAQTZJFMTJPZ-UHFFFAOYSA-N 352.203 4.629 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COC(C)C)c1 224430895 VBAIKFHLHOOXHV-UHFFFAOYSA-N 355.478 4.997 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(F)cc1 224742130 QOWAXILQRVYEOH-QFIPXVFZSA-N 369.480 4.611 0 40 FJAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccccc1 225595369 XGMFJVBEBMDNFJ-OAQYLSRUSA-N 369.461 4.510 0 40 FJAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(C(C)C)cc2)c1 225765630 IMIMBCLJMWFRBT-UHFFFAOYSA-N 353.447 4.589 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1C 225791357 QGOZIWUADCBJIS-QGZVFWFLSA-N 372.534 4.845 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257303383 SGZPGJJSZPQQPA-LJQANCHMSA-N 356.441 4.648 0 40 FJAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1Cl 408563185 USWIWVRJXOJAES-VZCXRCSSSA-N 356.878 4.939 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 408619486 CHMFOIUAOVBBAU-UHFFFAOYSA-N 367.232 4.603 0 40 FJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1Cl)N2 409188589 FEBJBSNUYPIMNC-MDASCCDHSA-N 357.837 4.761 0 40 FJAB O=C(CCCn1cccc1)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 524735430 BQCOICHXXGVXDM-SFHVURJKSA-N 355.869 4.597 0 40 FJAB CC(C)C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)c1cccs1 663771193 ICNYZECDEWMAMN-OKZBNKHCSA-N 364.555 4.826 0 40 FJAB C[C@H](O)[C@](C)(CNCc1cccc(CC2CCC2)c1)Cc1ccccc1 1620927382 YKOJDMDSHDEYPT-CYFREDJKSA-N 351.534 4.749 0 40 FJAB COc1cc2c3c(c1)[C@H](Nc1ccc(F)cc1)C(=O)N3C(C)(C)C=C2C 1857657207 GXGOSODDSJQKAO-SFHVURJKSA-N 352.409 4.530 0 40 FJAB Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c2c1CCCC2 972449 OPHKXVVEJWPYOF-UHFFFAOYSA-N 356.878 4.950 0 40 FJAB Cc1ccc(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)s1 995643 OFXBUDAZXRKSFR-UHFFFAOYSA-N 370.437 4.705 0 40 FJAB CC(C)=C[C@H]1[C@H](COCc2cc3c(cc2Br)OCO3)C1(C)C 1656193 GUGRQAIGZSOIMU-KBPBESRZSA-N 367.283 4.933 0 40 FJAB CCCCOC(=O)c1cccc(NC(=O)COc2c(C)ccc(C)c2C)c1 1775921 WGSMWZRQTBRILC-UHFFFAOYSA-N 369.461 4.586 0 40 FJAB Cc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 2195491 DOEUPPJFIQMTBR-UHFFFAOYSA-N 352.507 4.557 0 40 FJAB O=C(NC(Cl)=C(Cl)Cl)O[C@H](Cc1ccccc1)C(F)(F)F 2556059 IWSFGMPNYCEEAS-MRVPVSSYSA-N 362.562 4.729 0 40 FJAB O=C1NC(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)S1 3062206 BOKHNUQEKJSCNC-XDHOZWIPSA-N 361.422 4.743 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 3210676 LIFUTINQUOQDFL-UHFFFAOYSA-N 368.458 4.617 0 40 FJAB O=C1c2ccccc2-c2nn(C(=O)c3ccc(Cl)cc3)c3cccc1c23 3236704 OGKKGIPXCLHXKH-UHFFFAOYSA-N 358.784 4.590 0 40 FJAB CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2Cl)cc1 3289631 YYKKBAUGCUREFA-FMIVXFBMSA-N 357.837 4.659 0 40 FJAB Cc1c(Cl)cccc1NC(=O)COc1ccc(Br)cc1F 3404327 XFAXVKLATKRSMQ-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB COc1cc(C(=O)Nc2nccs2)ccc1OCc1ccc(Cl)cc1 3417882 ZMGPSJQFYPPXAG-UHFFFAOYSA-N 374.849 4.636 0 40 FJAB Clc1ccc(Cl)c2sc(N3CCN(c4ccccc4)CC3)nc12 4061323 JJNNIBMKSUVBLF-UHFFFAOYSA-N 364.301 4.930 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 4078301 PWYFXHIMTBKXMU-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB O=C(CCSc1ccc(F)cc1)Nc1nc2c(F)cc(F)cc2s1 4496884 LAZJCFBFVIYRFA-UHFFFAOYSA-N 368.405 4.835 0 40 FJAB Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4540029 RPOYZAJTTANTHM-NRFANRHFSA-N 357.409 4.702 0 40 FJAB COc1ccccc1-c1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1 4551384 XKMDLEZUJFUBIL-UHFFFAOYSA-N 353.443 4.730 0 40 FJAB O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256065 OIROUBZOSQAKIQ-LJQANCHMSA-N 351.837 4.779 0 40 FJAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(F)c(F)c1 5701364 OKDFMWNUAZOVGH-UHFFFAOYSA-N 354.356 4.726 0 40 FJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1Cl 6016992 WAFYAXBKDNYBFJ-UHFFFAOYSA-N 362.907 4.950 0 40 FJAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccccc32)cc1 6600857 HCJAVKYLCXBLQT-UHFFFAOYSA-N 371.440 4.528 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1 6871349 QTRLYULGZQCIMH-UHFFFAOYSA-N 366.417 4.569 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CSCc1cccc(Cl)c1 7094136 RGBYRZDOFDFIBU-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB CC(=O)Nc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 7221575 HSEWXOJYSLHFSC-JOCHJYFZSA-N 373.456 4.745 0 40 FJAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1Cl 7249367 MJQTVHIBFWKGCE-BZYZDCJZSA-N 356.274 4.645 0 40 FJAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)o1)c1ccccc1 7289321 XSDOWYQQLVISMO-MRXNPFEDSA-N 369.421 4.558 0 40 FJAB O=C(NCCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 7699905 DSCWFQSPBXRSQO-UHFFFAOYSA-N 365.860 4.892 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)OCc3cccc4ccccc34)cc2)n1 7984501 AQPKAEPGITVYMO-UHFFFAOYSA-N 356.425 4.999 0 40 FJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21 8126766 HXGGXHBPTDGCSA-KRWDZBQOSA-N 363.288 4.941 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3cccc4ccccc34)CC2)c1 9062997 BCXWJXDZYOBUSP-UHFFFAOYSA-N 358.485 4.999 0 40 FJAB CCOc1ccccc1CCCNC(=O)CCSc1ccc(C)cc1 10110880 IGXLBNQUNMXKDP-UHFFFAOYSA-N 357.519 4.625 0 40 FJAB Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 12139043 PDZJOSZXEULGEH-UHFFFAOYSA-N 358.470 4.930 0 40 FJAB COc1ccc([C@@H](CNC(=O)[C@@H]2CC=CCC2)c2c[nH]c3ccccc23)cc1 12790938 VEYKTZZAZVVCDU-WIYYLYMNSA-N 374.484 4.781 0 40 FJAB Cc1ccc(C)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 12998710 ZIYMJNLQCUBJOX-UHFFFAOYSA-N 350.487 4.933 0 40 FJAB Cc1ccc(C)c(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 13367492 AIIMRKNRRGMLOQ-UHFFFAOYSA-N 362.454 4.619 0 40 FJAB COc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1 15729335 XPQUMWAAAXUHAQ-UHFFFAOYSA-N 365.429 4.965 0 40 FJAB biogenic Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N(C)C)cc1 15859871 MPHIGBJTUNGGCB-MRXNPFEDSA-N 372.921 4.896 0 40 FJAB Oc1ccccc1/C=C/c1cc(/C=C/c2ccccc2O)nc(Cl)n1 16448957 KLORUGJHMGFWHP-WGDLNXRISA-N 350.805 4.882 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 20493777 HGISONGIEJUGMS-FOIQADDNSA-N 359.441 4.505 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C)c(Cl)c2)cc1 22008301 ZDRSHYFQVBNKHB-FQEVSTJZSA-N 357.881 4.953 0 40 FJAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)N1CCCc2ccccc21 25720262 UURIFIQKDPENSP-UHFFFAOYSA-N 363.310 4.891 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)N1CCn2c1nc1ccccc12 29374478 CPHKURVEGYLSBJ-UHFFFAOYSA-N 367.408 4.525 0 40 FJAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(O)cc1 35644297 ZJJNXRVEFGDWTA-VGOFMYFVSA-N 365.241 4.591 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c(C)c1 38773010 GWVNCGHGCLZERU-FQEVSTJZSA-N 369.461 4.585 0 40 FJAB Cc1sc2ncnc(SCc3nccn3Cc3ccccc3)c2c1C 40067287 GZIZZBBZSUMVSC-UHFFFAOYSA-N 366.515 4.845 0 40 FJAB Cc1ccc(-c2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41097365 FACQOHYMJUEXAR-UHFFFAOYSA-N 366.808 4.534 0 40 FJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccc(Cl)cc1 58156186 CQCXXWOUYVWDTF-UHFFFAOYSA-N 355.825 4.668 0 40 FJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2)nc1 67296518 ZQZZAQSODWYBRB-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 80338704 QOEVOOVFYOWLAD-UHFFFAOYSA-N 367.272 4.936 0 40 FJAB Cc1c(CNC(=O)c2ccsc2)sc2nc(-c3ccc(F)cc3)cn12 90593841 LLKNPWNMEZVNKS-UHFFFAOYSA-N 371.462 4.502 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1NC(=O)OC(C)(C)C 95439318 PHVJMTKOBMXDFE-OAHLLOKOSA-N 366.461 4.554 0 40 FJAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCC 106956450 HVMJGIVPLLFVMG-UHFFFAOYSA-N 368.246 4.998 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)n1 170569251 QHRIUGHVYWKVTP-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB O=C(NCCOc1ccccc1Cl)/C(=C/c1ccco1)c1ccccc1 223429622 IULYIHSXURFMFK-OBGWFSINSA-N 367.832 4.669 0 40 FJAB O=C(Cc1ccc(F)cc1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225014923 PSRGTNDHZZTQLY-LJQANCHMSA-N 353.437 4.711 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(C)c1 225393601 OAPKKLFYUSCMBD-AZUAARDMSA-N 369.505 4.964 0 40 FJAB COC1(C(=O)Nc2ccc(OCc3ccccc3)c(C)c2)CCCCC1 225629418 BFYIBHDTECHAHR-UHFFFAOYSA-N 353.462 4.862 0 40 FJAB COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1ccc(F)cc1 408578526 YKIVUNWYGVMAGN-UHFFFAOYSA-N 373.493 4.821 0 40 FJAB O=C(O)c1cccc(-c2nc(CN3CCC[C@@H]4CCCC[C@@H]43)cs2)c1 663316117 SKNMTLSBUAVVCE-KSSFIOAISA-N 356.491 4.663 0 40 FJAB COc1cccc(C[C@]2(C(=O)NC[C@H]3CCCC3(C)C)C[C@H]3CC[C@H]2C3)c1 1129290185 UOSNFNLREJKUHX-KTIHBUSBSA-N 369.549 4.987 0 40 FJAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cc4ccccc4nc3O)cc2c1 1640859442 RVERTFGHFZJVAA-UHFFFAOYSA-N 373.456 4.649 0 40 FJAB COc1ccc(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682448 NFCPEXMLNGJCDV-INIZCTEOSA-N 360.409 4.635 0 40 FJAB OC1=NC(=S)S/C1=C\c1cc2ccccc2nc1N1CCCCC1 1307484 ICAVJRLMNLXZFT-PTNGSMBKSA-N 355.488 4.554 0 40 FJAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)CC)cc3n2)cc1 1842564 WSAPOKACGQXNGK-UHFFFAOYSA-N 356.857 4.765 0 40 FJAB Fc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 2387897 LIHTWOZNOMNQBK-UHFFFAOYSA-N 355.394 4.611 0 40 FJAB O=C([C@@H]1CCCO1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 3334559 XGKBWXXQCJKHGD-INIZCTEOSA-N 372.877 4.662 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1 3351398 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O=C(c1ccccc1Cl)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6869922 ZGCGHCVAZZKLPP-CYBMUJFWSA-N 372.877 4.776 0 40 FJAB Cc1cc2sc(NC(=O)COc3cccc(C)c3C)nc2cc1Cl 9141202 VSZZRCCOTMONDV-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)on2)cc1 9194910 OALDLQOCYHOJIG-INIZCTEOSA-N 350.418 4.673 0 40 FJAB CCOCCCNC(=O)c1ccccc1SCc1ccc(Cl)cc1 9426681 ANPYOBZTJKJJAL-UHFFFAOYSA-N 363.910 4.789 0 40 FJAB Fc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 12408680 WQSFHRRRUZTCOS-XCVCLJGOSA-N 356.813 4.816 0 40 FJAB Cc1cc(C)c2nc(SCC(=O)NCc3cccs3)cc(C)c2c1 12529017 ZZFZJGQQWQAPNE-UHFFFAOYSA-N 356.516 4.630 0 40 FJAB COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1 12775653 KHSFUVGVIXFDBR-PTNGSMBKSA-N 371.849 4.536 0 40 FJAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccccc2)cc1 12790655 LNCMZVLGJTXQEN-QFIPXVFZSA-N 358.441 4.567 0 40 FJAB CCOc1ccc2nc(Cl)c(CNCc3ccccc3OC)cc2c1 13999006 PAJOGMOYVUISLI-UHFFFAOYSA-N 356.853 4.585 0 40 FJAB C[C@H](c1ccccc1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 16047208 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40 FJAB CC(=O)c1ccc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)cc1 36704652 XVVMSIUHYSBSRM-UHFFFAOYSA-N 371.849 4.995 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cc(C)ccc2C)cc1 38756854 FRHYTBGYNDUWKC-HXUWFJFHSA-N 355.478 4.594 0 40 FJAB CC(C)Oc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72211989 VFSKDWJFAMFXAZ-IBGZPJMESA-N 354.450 4.733 0 40 FJAB Clc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccncc3)C2)c1 72358565 UNZIMRZJURTYMV-GOSISDBHSA-N 364.880 4.572 0 40 FJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C(C)(C)C)cc3)C2)cc1 72408155 OFXAZUHISBLSSA-OAQYLSRUSA-N 350.462 4.690 0 40 FJAB CC(C)[C@@H](NC(=O)N1CCc2[nH]c3ccccc3c2C1)c1cccs1 84456446 SGYQSAFNCFKLAY-LJQANCHMSA-N 353.491 4.694 0 40 FJAB FC(F)(F)c1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 89787892 QWSAPFKVJVGVRZ-IBGZPJMESA-N 363.379 4.718 0 40 FJAB CCOc1ccccc1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957266 IOBPEVUNVLGMQA-UHFFFAOYSA-N 361.445 4.709 0 40 FJAB Fc1cc(NCc2ccccc2OC2CCCC2)cc(N2CCOCC2)c1 97020068 OAOZUYSEEAOWQL-UHFFFAOYSA-N 370.468 4.596 0 40 FJAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 222948259 DTRAFTXTODECMR-LJQANCHMSA-N 367.489 4.663 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(C)cc1 223026786 SEKCYIDPDGNSQB-FQEVSTJZSA-N 359.897 4.863 0 40 FJAB Cc1ccc(SCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223388689 IFJOCSBGDGMYCG-UHFFFAOYSA-N 357.519 4.580 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1cccc(Cl)c1 223765758 BINJCMJTRANLBW-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 224789721 CBWNYOJCUSMRHB-MRXNPFEDSA-N 369.461 4.701 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 224923894 XNJYGYXDHCIXEK-QGZVFWFLSA-N 352.478 4.816 0 40 FJAB Cc1c(Cl)cccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224935745 JLIAEAAPWVRWDR-UHFFFAOYSA-N 364.681 4.780 0 40 FJAB CN(CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224981853 NJBZCJYQWGPEEA-UHFFFAOYSA-N 358.485 4.539 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(Cl)cc1 225168840 CEEMATDOFISSPI-HNNXBMFYSA-N 357.881 4.645 0 40 FJAB 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CC(C)CN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1cccc(Cl)c1)C2 4886527 KUJRHWASKJBAED-AYHJJNSGSA-N 365.974 4.668 0 40 FJAB c1ccc(-c2ccc(Cc3nn4c(-c5cccnc5)nnc4s3)cc2)cc1 5345812 JETXXCMUSMEGTQ-UHFFFAOYSA-N 369.453 4.506 0 40 FJAB Cc1cccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)o2)c1 5902287 NFQVGXRLCWNHNT-UHFFFAOYSA-N 374.849 4.857 0 40 FJAB COc1cc(C(=O)N2CCCc3ccccc32)ccc1OCc1ccccc1 5937047 NHIJPTGFQBIKRA-UHFFFAOYSA-N 373.452 4.867 0 40 FJAB CSc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1 7118928 HXOUNOUYPYEGOZ-LBPRGKRZSA-N 357.504 4.718 0 40 FJAB COc1ccc(CN(Cn2nc(-c3cccs3)oc2=S)C2CC2)cc1 8148408 YIFHGZKJFMDFIN-UHFFFAOYSA-N 373.503 4.565 0 40 FJAB CCOc1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1 8594338 MYKYLKPCRFMHHY-UHFFFAOYSA-N 359.433 4.575 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(CC)cc2)sc2c1CCCC2 9142120 MLWSWBUOMCCPOQ-UHFFFAOYSA-N 357.475 4.618 0 40 FJAB Cc1cccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1C 9190182 VQYSKAVOOQZEAD-UHFFFAOYSA-N 365.502 4.657 0 40 FJAB CC(C)(C)NC(=O)Nc1nnc(SCc2c(F)cccc2Cl)s1 9324177 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4.865 0 40 FJAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cccc2ccccc12 22787604 GFCMZVHUPIEGMT-HNNXBMFYSA-N 351.446 4.716 0 40 FJAB Brc1ccc(Oc2cncc(OCc3ccccc3)n2)cc1 24985370 HYGKXHQCHQPJIU-UHFFFAOYSA-N 357.207 4.610 0 40 FJAB Cc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=S)N=C2O)cc1 27532459 GWRKUNVTQPWWHG-GDNBJRDFSA-N 355.440 4.543 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)s1 28291799 ZMSGRECZHQRSCJ-UHFFFAOYSA-N 359.520 4.730 0 40 FJAB Cc1cc(NC(=O)Cc2cccc3ccccc23)n(Cc2ccccc2)n1 32754168 RBGCXMKKOJTZOD-UHFFFAOYSA-N 355.441 4.574 0 40 FJAB CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c(O)c(C(C)C)c1 32956602 FTYHWCFYPGMIOS-OAHLLOKOSA-N 369.461 4.823 0 40 FJAB COc1ccc(OC)c(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c1 35681741 OVKQHVIJZXSRQE-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38834282 FERWOKBIOOTKRM-QGZVFWFLSA-N 372.896 4.589 0 40 FJAB Cc1nc(C)c(-c2nnc(SCc3nc4ccccc4s3)o2)s1 39551795 YHKFJJBSWRVZRD-UHFFFAOYSA-N 360.489 4.712 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccccc2CC)c(Br)c1 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371.887 4.591 0 40 FJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(F)cc1 671301 DETVYEHWIJGVII-UHFFFAOYSA-N 373.380 4.732 0 40 FJAB CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C)c1 1346245 PDGBLYOLKFLSKS-UHFFFAOYSA-N 364.470 4.785 0 40 FJAB CCOc1ccc2nc(Cl)c(CN(C(=O)CC)C3CCCC3)cc2c1 1367850 RJWLPHZRGPWYDX-UHFFFAOYSA-N 360.885 4.968 0 40 FJAB CC(C)OC(=O)N[C@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2071645 OFEQDKVKFZGQRC-SNVBAGLBSA-N 361.052 4.550 0 40 FJAB COc1cc2ccccc2cc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 3381122 SGVGSWJAHQRCEW-UHFFFAOYSA-N 374.392 4.620 0 40 FJAB COc1ccc2ccc(OCC(=O)Nc3ccc(C)cc3Cl)cc2c1 3446370 VAGFNJCXFMSAGS-UHFFFAOYSA-N 355.821 4.828 0 40 FJAB Cc1csc(NC(=O)CSC(c2ccccc2)c2ccccc2)n1 3454125 DDIFZCZQTMOAQM-UHFFFAOYSA-N 354.500 4.913 0 40 FJAB COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccc(C)o3)C[C@H]21 4715930 GQGMLAAIDFTDNG-QGZVFWFLSA-N 352.434 4.801 0 40 FJAB Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)c(O)c1 5343675 QQXMTGIQBNWIAF-UHFFFAOYSA-N 355.825 4.613 0 40 FJAB CCCCC(=O)NC(Nc1ccccc1C)(C(F)(F)F)C(F)(F)F 5645555 HSBULBQXHOJVMR-UHFFFAOYSA-N 356.310 4.534 0 40 FJAB c1ccc(-n2nnnc2Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 6049228 RLPVDMYSWPLLSE-UHFFFAOYSA-N 372.472 4.922 0 40 FJAB Clc1ccc(/C=C/c2nn3c(-c4cccnc4)nnc3s2)c(Cl)c1 6668727 JBUMTOILUVSWJW-GQCTYLIASA-N 374.256 4.725 0 40 FJAB Cc1ccc(NC(=O)CSc2ccc(F)cc2)c(Br)c1 7000126 KXTOQKQGYVIMCP-UHFFFAOYSA-N 354.244 4.627 0 40 FJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 7310055 RUCOMNUTRKFHHB-RZXPCSSPSA-N 353.896 4.539 0 40 FJAB COc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccc(C)cc1 8317311 GBYMHFOJWQNOPM-UHFFFAOYSA-N 361.441 4.513 0 40 FJAB O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 8368592 DSJOTQFOLJTQEO-CVEARBPZSA-N 353.487 4.631 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3ccoc3)n2)cc1 8770566 MXMFLDJISQZTMS-UHFFFAOYSA-N 369.446 4.640 0 40 FJAB Cc1nc2cc(NC(=O)CCCc3nc4ccccc4s3)ccc2o1 9335775 NOOCCPOHMLUBLV-UHFFFAOYSA-N 351.431 4.707 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1C 10213735 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COc1ccc([C@@H](Nc2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 35311037 QECHQDAQQATYDM-OAQYLSRUSA-N 352.478 4.606 0 40 FJAB CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1nc2ccccc2s1 36394501 ZGXJKRJSYRVFIG-UHFFFAOYSA-N 363.442 4.926 0 40 FJAB CC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1Cl 40104412 FHABVRXVIRCJBN-UHFFFAOYSA-N 366.248 4.616 0 40 FJAB CC(C)(C)c1cc(NC(=O)NCc2ccsc2)n(-c2ccccc2)n1 89694701 VLVKDKGKIUSTLQ-UHFFFAOYSA-N 354.479 4.553 0 40 FJAB CCCN(C(=O)c1ccccc1NC(=O)c1scnc1C1CC1)C(C)C 89830451 RNZUGGZTIPVENG-UHFFFAOYSA-N 371.506 4.533 0 40 FJAB FC(F)(F)c1cccc(CNCc2c(C3CC3)nc3sccn23)c1 95428440 IJWHQGQUGJKRCE-UHFFFAOYSA-N 351.397 4.582 0 40 FJAB c1cncc(-c2ccc3c(c2)CCC32CCN(Cc3nccs3)CC2)c1 96100173 SWUKUJRCUWVBDH-UHFFFAOYSA-N 361.514 4.685 0 40 FJAB Cc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c(C)c1 215695091 NTJWGKVSQKUNPS-UHFFFAOYSA-N 359.425 4.769 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219316786 HNPTYNGLGTVRHB-RBUKOAKNSA-N 353.462 4.571 0 40 FJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)S1 222602851 KTRZODFBJTXRRP-CCKFTAQKSA-N 352.507 4.588 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 223183104 CKDSLKOJEZFPJE-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223466795 RLHZBDFMIWYHHW-UTKZUKDTSA-N 355.478 4.655 0 40 FJAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 224029808 JWOVQSOFSCXCOI-NRFANRHFSA-N 367.489 4.529 0 40 FJAB O=C(CCSCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 224278542 NUZWOCHCOVEHLX-UHFFFAOYSA-N 362.498 4.934 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 224426617 MJGSZEACLDTPFY-IBGZPJMESA-N 369.505 4.527 0 40 FJAB CCOc1ccc(S(=O)(=O)N(CC)c2cccc(Cl)c2Cl)cc1 224603231 FPFYJGIMUTWHKP-UHFFFAOYSA-N 374.289 4.607 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 408680561 NLJUVTWGZWTYGB-OAHLLOKOSA-N 368.658 4.899 0 40 FJAB O=C(NCc1ccc(C2CC2)nc1)C1(c2ccc(Cl)cc2)CCCC1 1565522845 AEJNOZGAJPAJOT-UHFFFAOYSA-N 354.881 4.741 0 40 FJAB Cc1ccccc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615117271 BDCZPLKVHOAJND-QHCPKHFHSA-N 366.480 4.798 0 40 FJAB Brc1ccccc1-c1cccc(I)c1 1857794307 BCHZEIBUEXAAEE-UHFFFAOYSA-N 359.004 4.721 0 40 FJAB Cc1ccc(NC(=O)c2ccc(CSC3=NCCS3)cc2)c(C)c1 1083515 VXWKEHFSOGXMEW-UHFFFAOYSA-N 356.516 4.892 0 40 FJAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1 1509491 IKMNLKQUUGRBCM-UHFFFAOYSA-N 374.421 4.886 0 40 FJAB in-vitro Cc1c(C(=O)NCc2ccccc2F)oc2ccc(Br)cc12 2627240 SNCNMPTZMJNNSG-UHFFFAOYSA-N 362.198 4.573 0 40 FJAB CCC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3265763 PDEREZQJALGODD-NSHDSACASA-N 361.898 4.967 0 40 FJAB CCc1cccc2c(C(=O)COC(=O)/C=C/c3ccccc3Cl)c[nH]c12 3358344 HKORQEJRYKELKR-ZHACJKMWSA-N 367.832 4.823 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 3427706 LETQVUIJAFMCOL-UHFFFAOYSA-N 355.768 4.521 0 40 FJAB CCCCNC(=S)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764154 DODQXKMRHLXDMG-APWZRJJASA-N 357.567 4.870 0 40 FJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C1 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BKKHUFJEOZAWJT-LLVKDONJSA-N 352.659 4.636 0 40 FJAB CCOc1ccccc1-c1nnc(SCC(=O)c2ccc(C)cc2C)o1 8734220 NTFFYVMRLSJZDB-UHFFFAOYSA-N 368.458 4.727 0 40 FJAB C[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 10530078 SZZVAQOTBTXJHN-VIFPVBQESA-N 372.635 4.831 0 40 FJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Cl 11636856 LCTBMHASVMPBPV-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1 12852423 LABUXDYLRLPMHX-UHFFFAOYSA-N 366.461 4.856 0 40 FJAB Cc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3cccs3)nc21 15842221 ARLHRJPCBOTQGJ-UHFFFAOYSA-N 359.458 4.722 0 40 FJAB CC(C)(C)c1cc(CCC(=O)NCc2cccnc2)cc(C(C)(C)C)c1O 15940991 CCULMQASDWFGDJ-UHFFFAOYSA-N 368.521 4.631 0 40 FJAB COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)ccc1C 24386148 JKRJLRPNINUCLP-KRWDZBQOSA-N 366.486 4.981 0 40 FJAB O=C(Nc1ccccc1)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28305149 IFGBXRUMKNNKIW-UHFFFAOYSA-N 360.339 4.594 0 40 FJAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc21 32410771 UWKBBEKEDDLFQP-UHFFFAOYSA-N 356.425 4.515 0 40 FJAB O=C(Cc1cccs1)Nc1cccc(-c2noc(-c3ccccc3)n2)c1 32609582 IHEODOKBUHDVQP-UHFFFAOYSA-N 361.426 4.646 0 40 FJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1-n1ccnc1 32809141 RHRFMAPDDNHIJP-CMDGGOBGSA-N 357.335 4.543 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(C)c(C)c1 44856570 NKZFYYZHUGQSAK-JOCHJYFZSA-N 361.489 4.738 0 40 FJAB Cc1ccccc1CNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 57775426 GSHBIBLARVPQNI-UHFFFAOYSA-N 373.435 4.604 0 40 FJAB CSc1ncccc1C(=O)NCC1(c2cccc(F)c2)CCCCC1 63082332 JDEBRXJFHBXHME-UHFFFAOYSA-N 358.482 4.575 0 40 FJAB c1ccc(CC2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1 67285179 DUPVHDIIIMMRAQ-UHFFFAOYSA-N 374.513 4.917 0 40 FJAB COc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2C)cc1 72029779 DOTIGXMPJLLKAM-MSOLQXFVSA-N 364.470 4.869 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@@H]1CCCC[C@H]1C(F)(F)F 84614823 IBKLADNAPGXLAL-HUUCEWRRSA-N 365.355 4.576 0 40 FJAB O=C(CC(=O)c1ccccc1)C[C@@](O)(/C=C\c1ccccc1)c1ccccc1 102876209 MUWXSVQCTMZWEZ-VCLNNIJQSA-N 370.448 4.820 0 40 FJAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 107281615 TWPAUBXRVKIDPJ-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(OC(C)C)cc1 113970111 HXUMGFXHEFZOAC-HXUWFJFHSA-N 355.478 4.564 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225086171 FJJXFRIRAAWFSM-KRWDZBQOSA-N 353.245 4.993 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1Cl 225090814 RYRCHZPPWCVQTN-UHFFFAOYSA-N 358.265 4.682 0 40 FJAB O=C(CCc1c(Cl)cccc1Cl)NCCSc1ccccc1 225345924 IQBVISMPYYGART-UHFFFAOYSA-N 354.302 4.835 0 40 FJAB C[C@@H]1CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C[C@@H](C)O1 226318651 QUFCTYXBBBGDGF-ZIAGYGMSSA-N 356.853 4.757 0 40 FJAB CCCCCc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1 518637300 NFJCGMCFGUSXLS-UHFFFAOYSA-N 361.445 4.834 0 40 FJAB C[C@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1cccc(-c2ccncc2)c1 672618858 APQDUGOIYSYDEL-KKSFZXQISA-N 366.892 4.829 0 40 FJAB O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Cl 682314 GWCHGOSACKICTC-UHFFFAOYSA-N 351.789 4.812 0 40 FJAB CCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OCC 2100932 YKJJIAWBLXYBQS-JXAWBTAJSA-N 365.429 4.609 0 40 FJAB CC(C)CC(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3051547 DGOKKGPZNUGASQ-GFCCVEGCSA-N 358.096 4.611 0 40 FJAB Cc1cc(Cl)ccc1OCCCC(=O)NCCc1c[nH]c2ccccc12 3415463 WHMKTFLNPYBUKC-UHFFFAOYSA-N 370.880 4.648 0 40 FJAB C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)O)[C@@](C)(CCC(=O)O)[C@@H]1CC2 3843607 UJKJBNDDMOKPEE-WSYNCDOCSA-N 350.499 4.965 0 40 FJAB biogenic CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 3911161 OPQLMKQSVCWCJK-UHFFFAOYSA-N 366.465 4.740 0 40 FJAB Cc1cc2ccccc2n1CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 4060459 YBMQCHYZJVDMQD-UHFFFAOYSA-N 370.880 4.577 0 40 FJAB Cc1ccc(Cl)cc1-n1ncc2c(NC3CCCCCC3)ncnc21 4354821 MQKLZZAVHXCXJO-UHFFFAOYSA-N 355.873 4.912 0 40 FJAB Cc1ccccc1CSCC(=O)Nc1ccc(N2CCCCC2)cc1 4491014 STCYYLMKSGOTKH-UHFFFAOYSA-N 354.519 4.857 0 40 FJAB Fc1cccc(Cl)c1Cc1noc(-c2cccc(Br)c2)n1 4549302 YXLVOIBBHBCIKY-UHFFFAOYSA-N 367.605 4.882 0 40 FJAB COc1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)c(OC)c1 4571772 XQADJHNQZIFBPH-SFHVURJKSA-N 366.442 4.861 0 40 FJAB Nc1ccccc1OP12(Nc3ccccc3O1)Nc1ccccc1O2 4830533 SOGRXKMLGLEBIE-UHFFFAOYSA-N 353.318 4.785 0 40 FJAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)o1 5434823 CPDVRQDXGCCJID-CYBMUJFWSA-N 363.442 4.890 0 40 FJAB Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1N1CCCCC1=O 5441347 OJBVTXVWSWBHFX-UHFFFAOYSA-N 360.816 4.557 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1Cl 5874065 SWIKSTLLCLMZSI-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB COc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 6532021 SAEAHXSETINUAF-UHFFFAOYSA-N 351.475 4.505 0 40 FJAB CCOc1ccc(-c2ncncc2-c2ccc(Br)cc2)c(O)c1 6758919 PHYHXCYDHQIMDL-UHFFFAOYSA-N 371.234 4.677 0 40 FJAB biogenic Cc1ccc(-c2nnc([C@@H](C)Sc3nc4ccccc4n3C)o2)cc1 6930048 PNBNMHCMTHLFLF-CYBMUJFWSA-N 350.447 4.785 0 40 FJAB Cc1ccc(Nc2nnc(SCc3cn4cccc(C)c4n3)s2)cc1 7758434 SXWFOMQYVVVDNR-UHFFFAOYSA-N 367.503 4.839 0 40 FJAB Cc1c(Cl)cccc1NC(=O)CNc1ccccc1N1CCCCC1 7973112 WGQWTFNYILEPHC-UHFFFAOYSA-N 357.885 4.689 0 40 FJAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cc(Cl)sc1Cl 8039545 CWDJMFYBUPZYSY-UHFFFAOYSA-N 374.318 4.834 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2noc3ccccc23)cc1 8074044 SKTFGFLSDPKNLD-FQEVSTJZSA-N 364.445 4.523 0 40 FJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCC3CCCC3)cc21 8959629 QNCRXJPNGXENFL-UHFFFAOYSA-N 372.509 4.757 0 40 FJAB Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n(C)n1 9122397 SRZWSAUNHLRRCF-UHFFFAOYSA-N 374.469 4.771 0 40 FJAB CC(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 9314190 BLFMDCWTASSISD-UHFFFAOYSA-N 371.487 4.718 0 40 FJAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1 9659989 XTTPCYCUXUADRJ-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB biogenic CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 10215093 FSTNLUTUWKLVTD-JTHBVZDNSA-N 371.440 4.723 0 40 FJAB CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 10253294 KDWRXKDNCMIMMO-UHFFFAOYSA-N 355.488 4.958 0 40 FJAB Cc1ccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1F 11163856 ONWHSYWTOPKWJS-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB CC(=O)c1ccc(OC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 11246834 MZTKCWWNASNLIW-UHFFFAOYSA-N 369.804 4.736 0 40 FJAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 12871208 CKCNGUHEYHYCND-CYBMUJFWSA-N 372.827 4.944 0 40 FJAB CCc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 12874910 VULUVJOJUGBPRF-OAQYLSRUSA-N 369.461 4.734 0 40 FJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 15330565 LXXUPPWZHUWGQC-JTQLQIEISA-N 354.631 4.509 0 40 FJAB Cc1ccccc1NC(=S)NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 18126958 WZYIKJFOERHOFK-LVBDODCMSA-N 356.535 4.805 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(C)o1)[C@@H]3c1cccnc1 19216633 OIXSQMCFGBJGGT-HSZRJFAPSA-N 373.456 4.621 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1C 20138774 VIUMDMDGHBIQPP-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB CCCc1c(C)nc2ncnn2c1Nc1ccc(Cl)c(C(F)(F)F)c1 20595788 GWPKZXMVTMJXED-UHFFFAOYSA-N 369.778 4.801 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccc2cnccc12 21218519 AEAOMBCFBCKDSW-UHFFFAOYSA-N 351.456 4.601 0 40 FJAB CN(C(=O)c1ccc(OCCSc2ccccc2)cc1)C1CCCC1 22509337 ISPMFIAQEMCEKZ-UHFFFAOYSA-N 355.503 4.872 0 40 FJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2o1 24587130 KEUCPFRNSMYZQS-SECBINFHSA-N 364.232 4.882 0 40 FJAB Cc1sc2ncnc(NCc3ccccc3CN3CCCC3)c2c1C 24972819 NZXRXMANDPRWAR-UHFFFAOYSA-N 352.507 4.516 0 40 FJAB Cc1ccc(C)c2sc(NC(=O)c3ccc(C(F)(F)F)nc3)nc12 26416559 YNOAJHXDFJFTMB-UHFFFAOYSA-N 351.353 4.579 0 40 FJAB O=C(Cc1noc2ccccc12)OCc1sc2ccccc2c1Cl 26887707 JEDLPZOOQQUGFD-UHFFFAOYSA-N 357.818 4.982 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1ccn(Cc2ccccc2Cl)n1 28225345 IRAJTJJZKUUUOI-UHFFFAOYSA-N 361.232 4.882 0 40 FJAB CC(C)C(=O)Nc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 30822862 HBICBJYRSWVQND-UHFFFAOYSA-N 350.462 4.732 0 40 FJAB CCCC[C@@H](C(=O)CCC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C 31829814 PZGMNYBOAPFXDZ-INIZCTEOSA-N 351.874 4.659 0 40 FJAB Cc1ccc(O)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 32097405 IDKRKVHCJXKOLA-UHFFFAOYSA-N 355.397 4.563 0 40 FJAB Fc1cccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)c1 32323482 KYXSYEANIRNRMF-UHFFFAOYSA-N 355.394 4.528 0 40 FJAB Cc1nn(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)c1Cl 32611505 KACCRNOESJSQPB-UHFFFAOYSA-N 361.779 4.673 0 40 FJAB CCCCN(C(=O)c1cccs1)c1nnc(-c2ccc(OC)cc2)s1 35312389 FEQZTYYYANUUAY-UHFFFAOYSA-N 373.503 4.722 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 36358996 JHUKUFKMWCIDGQ-UHFFFAOYSA-N 371.396 4.653 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)c1 39754931 NTPTTXKLGJHMPH-UHFFFAOYSA-N 350.506 4.969 0 40 FJAB CN(Cc1nc(Cc2ccccc2)no1)Cc1cccc(Cl)c1Cl 40118751 YLQUNGYKPICZDT-UHFFFAOYSA-N 362.260 4.599 0 40 FJAB FC(F)(F)c1nc(SCc2nc3ccccc3[nH]2)c2ccccc2n1 46761061 AJVWGLCAWSWHAH-UHFFFAOYSA-N 360.364 4.817 0 40 FJAB COc1c(Br)cc(C(C)(C)C)cc1C(=O)N1CCC(C)CC1 57339369 UGVBFYWKKWSXFG-UHFFFAOYSA-N 368.315 4.627 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@@H](c2cccnc2)SC1 79493500 CYAHHRJVOMQKFX-QGZVFWFLSA-N 372.494 4.693 0 40 FJAB COc1ccc(N/C=C/c2nc(SCc3ccccc3)nnc2C)cc1 100363797 QSMDGFBTFJFFLY-OUKQBFOZSA-N 364.474 4.564 0 40 FJAB CC(=O)c1csc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 129844070 HVTQRQLRYKFACY-MRXNPFEDSA-N 355.459 4.517 0 40 FJAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccncc1 223997160 NGZQOJYSBMQGQI-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c2cccnc12 225885246 OXUXRRWQKAGQKV-UHFFFAOYSA-N 358.482 4.659 0 40 FJAB Cc1c(C(N)=O)c2ccccc2n1C(=O)C(c1ccccc1)c1ccccc1 226366252 OBLDGWTWPYVWEA-UHFFFAOYSA-N 368.436 4.521 0 40 FJAB CC(C)(c1ccc(NC(=O)N2CCO[C@@](C)(C3CC3)C2)cc1)C(F)(F)F 666890035 CNTVNKLZLYCAIY-GOSISDBHSA-N 370.415 4.559 0 40 FJAB Cc1ccc(-n2nnnc2-c2cnc3ccccc3c2-c2ccccc2)cc1 1044308 IFQZFUFSNCJQQW-UHFFFAOYSA-N 363.424 4.853 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 1752800 GLWSMSAMXMGKCJ-UHFFFAOYSA-N 352.312 4.526 0 40 FJAB CCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1764663 ODWUEFIVMFICGD-UHFFFAOYSA-N 354.519 4.799 0 40 FJAB biogenic CC(C)OCCCn1c(-c2cccs2)nc2nc3ccccc3nc21 2449027 VUSXETRBHZRZLT-UHFFFAOYSA-N 352.463 4.523 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 2645199 SBYANGWDUSQZEB-UHFFFAOYSA-N 357.397 4.849 0 40 FJAB COc1ccc2oc(C(=O)Nc3nc(-c4ccccn4)cs3)c(C)c2c1 3543654 VHJWCYAHCSYBEO-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@]2(C#N)O1 4027295 JQXOTYALWMLXAU-PSPPXZTJSA-N 369.505 4.542 0 40 FJAB biogenic O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccccc1Cl 4120289 NSDHZTNCOBHJEL-UHFFFAOYSA-N 370.861 4.831 0 40 FJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc(Cl)cc1 4602089 PSCILQFBUNYCCW-JTQLQIEISA-N 362.813 4.893 0 40 FJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccccc1C 4849341 HGUAUBAUPNRIHV-UHFFFAOYSA-N 366.486 4.845 0 40 FJAB Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)n1 5556944 VKEPXKDZGDFIMZ-UHFFFAOYSA-N 359.477 4.805 0 40 FJAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)NC2CCCCC2)n1 5562228 TXZDSUHAFKTACC-UHFFFAOYSA-N 361.445 4.775 0 40 FJAB CCCCC[C@@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CCCCC 5792607 JVSCVMQWDNRXDB-QZTJIDSGSA-N 372.619 4.670 0 40 FJAB CCOc1ccc2nc(SCc3cn4cc(Cl)ccc4n3)[nH]c2c1 6567031 SIHDHLRBRARTEP-UHFFFAOYSA-N 358.854 4.555 0 40 FJAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(F)cc32)cc1 6600833 HMZMWXNWPGDVAA-UHFFFAOYSA-N 359.404 4.658 0 40 FJAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)c1 6867855 VKGZREUWLJZHMA-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2OC(F)F)c1 7208973 ZHRXANLLIJBLCR-UHFFFAOYSA-N 351.418 4.777 0 40 FJAB Cc1ccc(C)c(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1 7318697 IWYLNBIEOALYHU-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB CCc1ccc2c(CC(=O)N(Cc3ccc(OC)cc3)C3CC3)coc2c1 8164390 DJFPPEKSVVENNN-UHFFFAOYSA-N 363.457 4.738 0 40 FJAB Cc1ccc(C)c(CSCC(=O)Nc2ccc(Br)cc2)c1 8312401 DUGOMAUKOMETSC-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CCCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 8613802 RIHNAMPWNKWCGG-UHFFFAOYSA-N 353.418 4.894 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CCCc2ccccc21 8685020 VDKITUKOQQPEDK-OAHLLOKOSA-N 371.893 4.502 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(Cl)c1Cl 10875414 CVZOCYCCVSBKEW-UHFFFAOYSA-N 353.230 4.640 0 40 FJAB CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 11466861 IQZTYXAPGFXTIG-UHFFFAOYSA-N 350.418 4.620 0 40 FJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CCC1CCCCC1 12759935 DBKFZNZPRQNUOZ-UHFFFAOYSA-N 352.478 4.597 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12775957 RSTDRZHBAQJTTR-UHFFFAOYSA-N 360.870 4.640 0 40 FJAB CC(=O)c1ccccc1OCCN1CCC(c2c[nH]c3ccccc23)CC1 12789236 ZPVVBXXTAYCOCJ-UHFFFAOYSA-N 362.473 4.629 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 13689826 XPTMHNNZOCSEPA-UHFFFAOYSA-N 361.426 4.542 0 40 FJAB CCn1nc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1C 13703225 YROSIEINOORSCR-UHFFFAOYSA-N 362.458 4.740 0 40 FJAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13939421 GYBWLWNHSWCUST-PRHODGIISA-N 356.702 4.504 0 40 FJAB O[C@H](COc1ccccc1)Cn1c(C2CCCCC2)nc2ccccc21 15860793 KJWIGTFFZZUWAV-SFHVURJKSA-N 350.462 4.524 0 40 FJAB CC(=O)c1cccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c1 18090273 WVWXYSKLKDXZJF-UIJGJVKASA-N 366.288 4.684 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCSCc1ccsc1 18949616 LMLYSYKANQKVLD-UHFFFAOYSA-N 360.331 4.647 0 40 FJAB Cc1cc(-c2cnc(N[C@H](C)c3cccnc3)nc2-c2ccoc2C)on1 19124086 QRVLMWCSHPDTOO-CYBMUJFWSA-N 361.405 4.577 0 40 FJAB CC12CN3CC(C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2 19320325 PNQROTJIHBSUQG-UHFFFAOYSA-N 371.528 4.736 0 40 FJAB CC(C)c1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 19453198 MKKFXPBOKYSJEW-UHFFFAOYSA-N 362.477 4.635 0 40 FJAB C[C@@H](CN(C)Cc1c(C2CCOCC2)[nH]c2ncccc12)c1ccccc1 19455969 TTWYRXKUCDNSBF-KRWDZBQOSA-N 363.505 4.692 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c(C)c1 20040105 XTSUMRNQFHJESP-IBGZPJMESA-N 369.461 4.585 0 40 FJAB COc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1 21364405 GHXOZEKAEJKKSO-UHFFFAOYSA-N 362.252 4.720 0 40 FJAB CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)C1=CCCCC1 23274247 ODFHCICGAZVZSO-UHFFFAOYSA-N 369.534 4.707 0 40 FJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(Cl)c(Cl)[nH]1 25050393 FUEZQICYPFJBPD-UHFFFAOYSA-N 352.246 4.621 0 40 FJAB CC(C)CCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2ccccc21 25759941 DPJMUFJRKVUSBG-HNNXBMFYSA-N 371.506 4.645 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc(-c2ccccn2)cs1 28605366 DLSRRMAPFYFQIY-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB CCSc1ccc(NS(=O)(=O)c2cccc3nc(C)sc23)cc1 30836271 PCXUJOWAMRSBHZ-UHFFFAOYSA-N 364.517 4.518 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(OC(C)C)c1 30871744 RHTMPQOEXBFBIA-FQEVSTJZSA-N 355.478 4.564 0 40 FJAB Cc1ccc(-c2noc(CCCSc3ncc4ccccn34)n2)cc1F 36392751 DZBANAXVIMAJFR-UHFFFAOYSA-N 368.437 4.557 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)CSc2ccc(C)cc2)cc1 38754448 NMCYCWCOPQSUOP-FQEVSTJZSA-N 357.519 4.999 0 40 FJAB O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cc(-c2ccco2)on1 38765816 DPFOTUVPJCVPDH-UHFFFAOYSA-N 370.748 4.600 0 40 FJAB COc1cccc(SCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 40141155 ZBSGLRSJHJZVCF-LBPRGKRZSA-N 369.408 4.684 0 40 FJAB O=C(COc1ccccc1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 41086010 JPMSRAWLBGZMEL-UHFFFAOYSA-N 362.360 4.651 0 40 FJAB COc1ccc2oc(C)c(C(=O)Nc3ccc(Br)cc3)c2c1 41156454 ZSYMJBJCGKTWQW-UHFFFAOYSA-N 360.207 4.765 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 44843847 XMMVXTDAXKJMGV-OAQYLSRUSA-N 355.478 4.564 0 40 FJAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 44935704 QPKWTDWYEPBHIU-UNMCSNQZSA-N 368.496 4.614 0 40 FJAB CC(=O)Nc1cc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)ccc1F 47482453 CNGBBXOBKKMLGH-LLVKDONJSA-N 363.820 4.662 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2cccnc2)on1 48326509 NWDXRZDTKLIKFZ-UHFFFAOYSA-N 356.385 4.733 0 40 FJAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216679 ATJBOORQKLKZFB-NRFANRHFSA-N 363.505 4.829 0 40 FJAB CCCCC(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C 72228547 XFOZQCVRUZFJKW-UHFFFAOYSA-N 356.495 4.844 0 40 FJAB CCOc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC 96635075 PGZHDOOUNVFKDU-XDHOZWIPSA-N 373.408 4.592 0 40 FJAB CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)[C@@H](N)C[C@]4(C)[C@H]3CC[C@]12C 118915655 ZSSPHCDGLYDLSV-STZRLTCJSA-N 359.554 4.844 0 40 FJAB in-vitro CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc2ccccc2c1 222795785 UMGHSTLGKSMDQI-LJQANCHMSA-N 353.849 4.967 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)CCc1ccccc1 223022712 CWDNMAFDULCYIJ-OXQOHEQNSA-N 359.897 4.943 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223413057 ROTJTDSEAXYADY-KRWDZBQOSA-N 371.546 4.801 0 40 FJAB CC(C)CSc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 223540492 PMHVKHGLTWHTCK-UHFFFAOYSA-N 363.552 4.981 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1C 225461148 QAZULTNOFDPYFY-IBGZPJMESA-N 368.502 4.536 0 40 FJAB COc1cc2c(cc1C)-c1nc(NC(=O)c3cccc(C)c3)sc1CC2 409052650 IZXRQDVOQDOOQP-UHFFFAOYSA-N 364.470 4.786 0 40 FJAB CCOC1CC2(CCN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)C2)C1 585082146 OKHCABHPTXSFJS-UHFFFAOYSA-N 363.929 4.716 0 40 FJAB CNC(=O)[C@H]1CCCc2sc(/C=C/c3csc(C(F)(F)F)c3)nc21 629075468 PDFZYFJHLCJHPR-PORFMDCZSA-N 372.437 4.560 0 40 FJAB CC(C)CCSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 1247173 CPZMPTUYOFBMMI-GFCCVEGCSA-N 351.541 4.509 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc2c1 1342823 QJYHKXRJGVPXRV-UHFFFAOYSA-N 373.481 4.933 0 40 FJAB CCOC(=O)[C@H](Cc1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1 2342528 QFNHAFKXPXJJLP-GFCCVEGCSA-N 363.244 4.759 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc(C)c1C 2624355 DWZXXOCPVYDEIO-LLVKDONJSA-N 370.305 4.828 0 40 FJAB Cc1nn(C)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 2741228 JXATWHHWHAAQPJ-UHFFFAOYSA-N 352.182 4.644 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2cccc(COCC(F)(F)F)c2)c(C)c1 2794213 DEAQMKJGOGQDGB-HNNXBMFYSA-N 365.395 4.873 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc(C)c1C 3223211 VFYSBHDNLQNGKN-UHFFFAOYSA-N 371.380 4.813 0 40 FJAB CCCCNC(=S)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 3764156 DODQXKMRHLXDMG-VQIMIIECSA-N 357.567 4.870 0 40 FJAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 4088083 IMXKWQCUJPDJDK-IBGZPJMESA-N 367.905 4.944 0 40 FJAB CCc1cc2cc3c(cc2nc1SCC(=O)c1cccs1)OCO3 4849516 QLTRHWMHPAPBEZ-UHFFFAOYSA-N 357.456 4.562 0 40 FJAB COc1cc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2cc1OC 5187367 ZZAWNJHKDUXRLW-BQYQJAHWSA-N 374.849 4.619 0 40 FJAB COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccco3)nc2c1 5299697 NIRAYZZNAFSUJF-UHFFFAOYSA-N 364.426 4.745 0 40 FJAB CCCOc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1OCC 6652246 LLXLHUWBIXCJJZ-QGZVFWFLSA-N 371.502 4.841 0 40 FJAB O=C1Cc2cc(-c3csc(Nc4ccc(F)c(Cl)c4)n3)ccc2N1 8208628 CNUIKDCATGFVFX-UHFFFAOYSA-N 359.813 4.841 0 40 FJAB CCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 8499315 VNHKDICDDJYNOH-UHFFFAOYSA-N 355.478 4.712 0 40 FJAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1-c1ccccn1 8715113 DEVQMGYMDLBGRA-UHFFFAOYSA-N 370.412 4.620 0 40 FJAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c2ccccc2n1 9417400 SRPQNWVMJDVMKW-UHFFFAOYSA-N 360.413 4.837 0 40 FJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(Br)cc1 9579034 NJLVTKFXCAWETP-QGZVFWFLSA-N 361.283 4.545 0 40 FJAB O=C(CCCc1nc2ccccc2s1)NCCCCOc1ccccc1 11079521 UBUANXSIFRZALR-UHFFFAOYSA-N 368.502 4.594 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 12062488 SGDJDAYPEDLZBB-UHFFFAOYSA-N 371.824 4.821 0 40 FJAB Clc1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 12390479 LHPPXNFNHIPZFE-UHFFFAOYSA-N 365.849 4.578 0 40 FJAB O=C(NCCCCOc1ccc(F)cc1)c1cccc(Cl)c1Cl 12392658 LWFDNQORPDLJPV-UHFFFAOYSA-N 356.224 4.722 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1 12527650 MOFATBKPDHUHFJ-HNNXBMFYSA-N 358.869 4.736 0 40 FJAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12581448 TXPLDFQVQXWJSL-KRWDZBQOSA-N 367.493 4.515 0 40 FJAB Cc1nc2c(=O)n(Cc3cccc4ccccc34)nc(-c3ccco3)c2s1 13010538 DGJAUORNLOLVAL-UHFFFAOYSA-N 373.437 4.623 0 40 FJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCCCCC3)c2n1 13149143 HYCJUGWYONVNCX-UHFFFAOYSA-N 367.276 4.631 0 40 FJAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 13495295 HCKOCYMGJNYSIW-HNNXBMFYSA-N 363.461 4.834 0 40 FJAB Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 13552631 OSLIELIYUFUPMB-UHFFFAOYSA-N 374.853 4.723 0 40 FJAB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2Cl)CC1 15586538 IJCUPSPKKCBNIO-UHFFFAOYSA-N 369.679 4.609 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 15729991 VJVNFMQJYJKIRH-UHFFFAOYSA-N 356.853 4.672 0 40 FJAB C[C@H]1CCc2onc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C1 20572104 FQFBNDJXVCWUJY-QMMMGPOBSA-N 358.747 4.724 0 40 FJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(C[C@@H](C)c1ccccc1)C3 20610002 CYLHFDZDCWVPSE-MRXNPFEDSA-N 363.457 4.701 0 40 FJAB biogenic Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1ccc(F)cc1 22621461 KSPDNWBXEMEOPK-ZDUSSCGKSA-N 368.408 4.501 0 40 FJAB C[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 27663285 SAEKXWPKPDQSFK-NSHDSACASA-N 360.772 4.540 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1 32906962 UJBCCTOYZAFCDO-UHFFFAOYSA-N 361.228 4.824 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c(C)c1 38773013 GWVNCGHGCLZERU-HXUWFJFHSA-N 369.461 4.585 0 40 FJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc(N(C)C)cc2)[C@H]3CCC1 41107724 XIEDSOLYROVZDM-QFIPXVFZSA-N 373.500 4.549 0 40 FJAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(C3CCCCC3)cc2)cc1 48149680 AOZTWBYTAMMBIM-UHFFFAOYSA-N 365.473 4.793 0 40 FJAB c1cncc(Oc2ccccc2CSc2nnc(N3CCCC3)s2)c1 50248373 UHJLLTVWYLBYPL-UHFFFAOYSA-N 370.503 4.618 0 40 FJAB CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C 65322258 CXTZDOLMQCELSV-UHFFFAOYSA-N 356.514 4.732 0 40 FJAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 71280771 YUOUMHXZDIFYCO-CYBMUJFWSA-N 371.824 4.794 0 40 FJAB Cc1cccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)c1 72329974 UEQOSQIPEJFQAA-UHFFFAOYSA-N 364.518 4.822 0 40 FJAB C[C@H](CC(=O)Nc1ccccc1)N[C@H](C)c1cccc(Br)c1 78282222 LYLIMNXRRNEDBX-ZIAGYGMSSA-N 361.283 4.517 0 40 FJAB O=C(NCc1cc(F)cc(F)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 84489919 YNVBKTNXESAEFT-UHFFFAOYSA-N 374.387 4.718 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OC(C)C 219745188 BPLONEZKHTXWNH-GOSISDBHSA-N 369.461 4.515 0 40 FJAB C[C@@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCCC2 222993777 DBJMEKINIGVWKK-OAHLLOKOSA-N 357.494 4.815 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccccc1C(C)C 223829188 SAJJCWKXLFPPCK-FQEVSTJZSA-N 369.505 4.779 0 40 FJAB O=C(Cc1cccc(Cl)c1)Nc1ccc(Br)c(Cl)c1 224365385 FYENHTTZYPKBCG-UHFFFAOYSA-N 359.050 4.937 0 40 FJAB CCCC(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254457 YOGCVZYDBNNVFA-MHWRWJLKSA-N 363.483 4.700 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225567547 IKCFBTHUXBIBKR-UHFFFAOYSA-N 367.489 4.779 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(F)cc1F 225678402 HRGXCQBTFCGFSL-MRXNPFEDSA-N 362.445 4.862 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccccc2C)c(C)c1 225758397 DLMYBXHAEWAUTK-SFHVURJKSA-N 370.518 4.918 0 40 FJAB CC1(C)Oc2c(Br)cccc2[C@H]2O[C@H]3CCSC[C@H]3C[C@@H]21 257303783 SISGSLILMBHQSD-UEEZHKSASA-N 369.324 4.819 0 40 FJAB Cc1cc(OCc2ccccc2)ccc1C(=O)C(F)(F)Br 382693550 JSHHFLALHPNLIW-UHFFFAOYSA-N 355.178 4.744 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl 408706061 UJAPDMNHVDFGPM-HILYYZTDSA-N 361.913 4.809 0 40 FJAB O=C(NCc1ccc(-c2ccoc2)o1)c1csc(-c2ccccc2)n1 585148188 QOKPEOODPAIKLM-UHFFFAOYSA-N 350.399 4.593 0 40 FJAB CCOc1cc(C(=O)N(CC)c2ccccc2)cc(OCC)c1OCC 2767737 FYQAOEKQAXOPLP-UHFFFAOYSA-N 357.450 4.549 0 40 FJAB CC(C)c1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 3057630 CYMOARHZWXUZIF-YVLHZVERSA-N 370.246 4.917 0 40 FJAB COc1cccc([C@H]2OC[C@@H]3COc4ccc5ccccc5c4[C@@H]3N2C)c1 5209118 OQTRZNBJZPYJRW-JJEOQYAHSA-N 361.441 4.559 0 40 FJAB Cc1ccc(COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)cc1 6079157 QUEYZMFCOLDPAE-UHFFFAOYSA-N 373.452 4.624 0 40 FJAB COC(=O)c1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1 7538761 MZJKJNVNCQXULN-UHFFFAOYSA-N 365.473 4.648 0 40 FJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 7883978 PBNPLHWZDREPBN-QFIPXVFZSA-N 358.441 4.770 0 40 FJAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 7929396 NSSROZRRTVHVPS-AWEZNQCLSA-N 371.864 4.596 0 40 FJAB COc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)c(OC)c1 8312813 LUNCYROSMTTZIS-UHFFFAOYSA-N 350.418 4.628 0 40 FJAB Cc1cc(OCC(=O)NCCc2ccc(F)cc2)c(C(C)C)cc1Cl 8342265 WPAHPRPJVBTARZ-UHFFFAOYSA-N 363.860 4.649 0 40 FJAB Cc1cc(-c2csc(-c3ccc(O)cc3)n2)c(C)n1C[C@@H]1CCCO1 8943740 DFXZZIBVJYAUON-KRWDZBQOSA-N 354.475 4.780 0 40 FJAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10332275 QPYZMLGYJZWRQI-UHFFFAOYSA-N 352.478 4.712 0 40 FJAB O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2sccc2N1 12374458 YIRMCHIZNKMVLR-KRWDZBQOSA-N 353.418 4.940 0 40 FJAB CCOc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1OCC 12886887 WVXKNRRVJKTKMU-UHFFFAOYSA-N 374.487 4.921 0 40 FJAB Cc1sc2nc(CNc3ccc(F)cc3)[nH]c(=O)c2c1-c1ccccc1 13362362 HFPPNGYNFQSCQG-UHFFFAOYSA-N 365.433 4.711 0 40 FJAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(C)c(F)c3)c2Cl)cc1 15084581 BVCLOSDEQJXGFR-UHFFFAOYSA-N 371.843 4.901 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc[nH]2)o1 18365705 XOPMXYWTKHBLKD-CHWSQXEVSA-N 370.478 4.698 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1 20611178 VWDJUZPJPRVZCF-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1C 21586982 GJIQOYVCBDPRPF-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2)cc1 22518549 RXGKVIUJLSJQEZ-VGSWGCGISA-N 363.432 4.807 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)cc1 22531692 VAXRETSKYPVYPO-UZLBHIALSA-N 355.478 4.853 0 40 FJAB CNC(=O)c1ccc(CN(Cc2ccc(Cl)cc2Cl)C2CC2)cc1 25188343 KWBYJGLIUGJJRA-UHFFFAOYSA-N 363.288 4.518 0 40 FJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)[C@@H]1C[C@H]1c1ccccc1 28229396 CSZNQQSXZLZGTP-XZOQPEGZSA-N 367.452 4.827 0 40 FJAB C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 29098244 VQJOBFIYOARAHK-MRXNPFEDSA-N 368.436 4.686 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCc1ccc(Cl)cc1 30861264 IONWUFYPZNINJO-MRXNPFEDSA-N 359.897 4.980 0 40 FJAB CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 32091384 XRIUNLXYNQKXRY-UHFFFAOYSA-N 356.451 4.543 0 40 FJAB Cc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)[nH]n2)c1O 32593701 JZIAKESYFPZIKZ-UHFFFAOYSA-N 362.216 4.650 0 40 FJAB CC(C)(NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 32936990 TWORXSZDQFROJF-UHFFFAOYSA-N 351.219 4.645 0 40 FJAB Cc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 36246433 WYPFHCQRAYWGEW-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C1CC1)[C@@H](C)c1ccco1 56181594 JWLRKQMSUCMKFH-AWEZNQCLSA-N 350.418 4.538 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)c1cccs1 57508802 HJXQGDGZILXMRK-FOIQADDNSA-N 368.477 4.902 0 40 FJAB Cc1ccc(OCCN(C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 58291411 VYOLLMZCWZOMPP-HNNXBMFYSA-N 371.868 4.770 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccnc(NC4CC4)c3)n2)cc1C 65488219 BUDZTKLJROMRJZ-UHFFFAOYSA-N 364.474 4.649 0 40 FJAB Cc1nc2scc(C)n2c1/C=C1\SC(=O)N=C1Nc1cccc(F)c1 72401063 GWNZKAIBKGQMFL-AUWJEWJLSA-N 372.450 4.870 0 40 FJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccc4ccccc34)[nH]n2)c1 72427474 AVLSDALFBXMQJH-UHFFFAOYSA-N 357.413 4.805 0 40 FJAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)c(Cl)c1 85651300 TUHDGLQUCGZMAK-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB Cn1cc(C(=O)Nc2ccc(-c3noc(C(C)(C)C)n3)cc2)c2ccccc21 89725291 XFBDEZMGTBVZRG-UHFFFAOYSA-N 374.444 4.778 0 40 FJAB Cn1c(-c2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc2cc(F)ccc21 95951445 SZOOSOHSXIWTJR-UHFFFAOYSA-N 360.314 4.584 0 40 FJAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)O 118924351 WESDBOJFPODCAU-CIRQYWGTSA-N 362.554 4.958 0 40 FJAB Cc1cc(OCC(=O)NCc2ccc3ccccc3c2)cc(C)c1Cl 222787059 AOBJHMPAIKUMHC-UHFFFAOYSA-N 353.849 4.805 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC)c(OC)c1 222908975 VMXHLYNIMKPRQT-GOSISDBHSA-N 371.477 4.797 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C 223435487 ZIOSFGIOUOWNTA-UHFFFAOYSA-N 362.303 4.825 0 40 FJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224225849 XWLWKZUQYYBPAS-MRXNPFEDSA-N 355.478 4.926 0 40 FJAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1C 224377975 NIFSDGOHRAJRIJ-UHFFFAOYSA-N 355.478 4.749 0 40 FJAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OCC)cc2)o1 224915227 XVCBZNSUZCOMGT-UHFFFAOYSA-N 350.418 4.547 0 40 FJAB COc1cccc2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)oc12 224958085 DJWVLMSMLKMPHK-UHFFFAOYSA-N 350.418 4.684 0 40 FJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225011996 MVDIHFRPQVXHBA-RBUKOAKNSA-N 368.550 4.553 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226356088 UQQGNRZTEFBGLW-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)cn1 257302256 SCDOGYHXUFNGNQ-SFHVURJKSA-N 368.433 4.519 0 40 FJAB CCOP(=O)(OCC)O[C@H](c1cccc(Br)c1)C(F)F 306145774 PTKWLIFTACCPRZ-LLVKDONJSA-N 373.130 4.953 0 40 FJAB Cc1cccc(CSCCNC(=O)CSCc2ccccc2C)c1 408927669 YZDOJQUNKHRPRW-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB CSCC[C@@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cccc1 575444533 VYWOQXMOIKRVAW-ZDUSSCGKSA-N 363.533 4.606 0 40 FJAB Cc1nc(COc2ccc(CN(Cc3ccccn3)C3CC3)cc2)cs1 585084583 DVAVNHOZRVQRNG-UHFFFAOYSA-N 365.502 4.590 0 40 FJAB CCOc1ccccc1-c1ccc(C(=O)O)c(COc2cccc(C)c2)n1 585265024 FKALGUKAXUBJQF-UHFFFAOYSA-N 363.413 4.733 0 40 FJAB CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 585265031 FNMDDLGQANHYSG-UHFFFAOYSA-N 355.434 4.587 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615117195 ANKVFWSZOGXXNK-HSZRJFAPSA-N 366.480 4.798 0 40 FJAB CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@@H]3[C@H]3CCC[C@@H]3O)ccc21 1628138221 MMXBRQVTUNPQEL-UIFIKXQLSA-N 369.549 4.801 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C)o1 710418 FJNJHOUZDNVUSP-UHFFFAOYSA-N 355.415 4.746 0 40 FJAB O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1cccnc1 976811 GWYNSQZMKFLGIF-UHFFFAOYSA-N 362.454 4.505 0 40 FJAB CCN(CC)CCC[C@@H](C)Nc1cc(OC)c2nc(C)cc(C)c2c1OC 1563139 POISOEAVOLICSP-MRXNPFEDSA-N 373.541 4.791 0 40 FJAB CCN(Cc1ccccc1)C(=O)c1c(-c2ccccc2Cl)noc1C 2284406 ARXPPKDCBCGEQK-UHFFFAOYSA-N 354.837 4.966 0 40 FJAB CC(C)c1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nnnc3N2)cc1 2500078 YWLDSRRZNJLYBW-ROUUACIJSA-N 353.857 4.596 0 40 FJAB Cc1ccc(OCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 2647921 QDSUJVMNYIOYBV-UHFFFAOYSA-N 364.319 4.578 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1 3223664 SZZMLKHAUMMAPU-YXLFCKQPSA-N 368.436 4.990 0 40 FJAB CN1CCN(P2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)CC1 3235335 PGMCGFHVYSTBFP-UHFFFAOYSA-N 366.401 4.539 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)c3ccc(Cl)cc3)sc2c1 3276680 BEYNQYWVPVXYNF-UHFFFAOYSA-N 358.850 4.860 0 40 FJAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1 4341956 HWVRIMGZNYDGBE-UHFFFAOYSA-N 350.418 4.842 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1ncnc2sccc12 6115590 BIKMKDXWNYKKIN-LLVKDONJSA-N 353.472 4.845 0 40 FJAB CCOc1cc(COc2ccc(CO)cc2)ccc1OCc1ccccc1 6656648 PIVJNPWDFDIOIO-UHFFFAOYSA-N 364.441 4.736 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 7406619 BGUWKSMXVHKPRV-UHFFFAOYSA-N 371.849 4.674 0 40 FJAB CCOc1ccccc1-n1c(SC/C=C/Cl)nnc1-c1cccnc1 7976052 JYDQLLMDGWHFOD-UXBLZVDNSA-N 372.881 4.573 0 40 FJAB COc1ccc(C(=O)Nc2nc3cc(Cl)ccc3s2)cc1Cl 8560680 ISCWJMJTPUQJQB-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB O=C(CC1c2ccccc2Oc2ccccc21)NCCOCc1ccccc1 8816533 VJRKSKNHIIFPMC-UHFFFAOYSA-N 373.452 4.647 0 40 FJAB CCc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 9315776 JLNVBJNUCMUXKK-UHFFFAOYSA-N 366.490 4.507 0 40 FJAB COc1cccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 10692217 BMZZJKFKOPJMAV-OAQYLSRUSA-N 370.452 4.738 0 40 FJAB biogenic CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)no2)cc1 11915159 GGPFCDUVRNIBHF-UHFFFAOYSA-N 372.808 4.655 0 40 FJAB C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 12533321 QZDQWCPCCJBPIT-ZDUSSCGKSA-N 357.251 4.955 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc(C3CC3)nc21 12789760 ZAQPVTCMZHGBPG-DOTOQJQBSA-N 366.509 4.542 0 40 FJAB COc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)c(Cl)c1 12938105 UMFYVODUYDINJW-ZZXKWVIFSA-N 351.229 4.732 0 40 FJAB CCN(CC)c1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13207153 OUTJBHVIHWVFKL-UHFFFAOYSA-N 368.481 4.592 0 40 FJAB CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 13670554 ZVEIGBLTAROYMR-UHFFFAOYSA-N 356.469 4.522 0 40 FJAB CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1 16755435 KIHJUURDZWURAP-UHFFFAOYSA-N 352.507 4.950 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)C3CCCCC3)s2)cc1 17357031 UCPFDALPUHHECT-UHFFFAOYSA-N 358.507 4.744 0 40 FJAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)C3CCCCC3)cc2)C1 19711931 CGTKDXCYEWHLDN-PKTZIBPZSA-N 372.553 4.540 0 40 FJAB COc1cccc(CN(CCc2ccccc2)Cc2ccccc2)c1OC 19809604 HKOQVBJBOCLXFX-UHFFFAOYSA-N 361.485 4.949 0 40 FJAB CCOCc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 28348485 GQMAPQFNERZGIO-OAHLLOKOSA-N 360.885 4.779 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 30938639 CNWAKTILVDNPGX-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB O=C(Cc1noc2ccccc12)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117458 JSZOFFVKSOCHFI-OAQYLSRUSA-N 352.409 4.557 0 40 FJAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1ccccc1 41095136 BRMQJSZMJUXLRK-VIFPVBQESA-N 364.681 4.686 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 51354291 GWMJMMODWMDXLO-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2Cl)cc1 55541648 ZUXCHOHNGSRCSP-UHFFFAOYSA-N 372.881 4.517 0 40 FJAB Cc1nc2ccccn2c1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 56900888 PARSWWUZEHRLKA-UHFFFAOYSA-N 368.396 4.703 0 40 FJAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1cccc2ccccc12 58033307 ZAEMAQUNJBITSM-LJQANCHMSA-N 362.477 4.990 0 40 FJAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccc2ccccc12 78850317 BOMPEAAQRXVFPK-QGZVFWFLSA-N 364.420 4.822 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 89949344 FVQKAPXXFIHSGD-IAGOWNOFSA-N 374.481 4.820 0 40 FJAB CC[C@@H](CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1 95943575 MGDCBWLROVENRJ-INIZCTEOSA-N 351.288 4.555 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)C[C@H](c2ccco2)C1 102565494 SDRBOROKOIYCSY-KPZWWZAWSA-N 366.808 4.590 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc2c(c1)CCCC2 223105518 BEASLJVHPYJZDH-JXFKEZNVSA-N 367.489 4.609 0 40 FJAB COc1ccc(-c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(C)n2)cc1 223140337 MROMGCTYRMWZOX-UHFFFAOYSA-N 361.445 4.836 0 40 FJAB CCCCOCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OCC 224727279 OZAWEWFYSBLVQR-UHFFFAOYSA-N 363.404 4.933 0 40 FJAB CCCOc1c(C)cc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225562363 QLYZHZSXVHSNKY-UHFFFAOYSA-N 367.489 4.779 0 40 FJAB CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 248377151 FSTNLUTUWKLVTD-GMAHTHKFSA-N 371.440 4.723 0 40 FJAB COc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408625711 ZAAIZTXKYBAVIW-UHFFFAOYSA-N 370.861 4.629 0 40 FJAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(C)cc1 409147007 UHNHELUBFFMKKT-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105913 YNNCMJRRSNDAFI-INIZCTEOSA-N 367.464 4.934 0 40 FJAB O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@@]2(C1)CC2(F)F 650918987 PFZZKZBOHCCNHD-FPOVZHCZSA-N 355.428 4.661 0 40 FJAB FC(F)Oc1ccc(-c2nnc(-c3ccccc3OC(F)F)o2)cc1 2803615 YHEZUFCAOJHGKW-UHFFFAOYSA-N 354.259 4.606 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccccc2Cl)c(OC)cc1Cl 3179721 HLDZFMOIZYONRP-BQYQJAHWSA-N 352.217 4.663 0 40 FJAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(C)cc32)cc1 4129766 VRTXUIUGRZDHHN-UHFFFAOYSA-N 355.441 4.746 0 40 FJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc4ccccc34)NC(=O)CN21 5377668 DPRNYUUVEWAQKP-AAJFVQQISA-N 368.480 4.785 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 7504786 FZZNZYPJSHWUJL-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB Cc1cccc2sc(NC(=O)Cc3cccc(C(F)(F)F)c3)nc12 7725233 IXDSFMNFAYJPON-UHFFFAOYSA-N 350.365 4.805 0 40 FJAB O=C(CCc1ccsc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7784937 JKUMLLXCIAOOPV-OAHLLOKOSA-N 372.515 4.503 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 8320088 CEURVGHEEKZXOH-SWLSCSKDSA-N 364.898 4.574 0 40 FJAB COc1ccc(-c2nnc([C@@H](C)Sc3ccc(NC(C)=O)cc3)o2)cc1 8557854 GZURQZZAGKVGMW-GFCCVEGCSA-N 369.446 4.557 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)OCc1nc2ccccc2s1 11942444 JTNLJCCFWWALRY-UHFFFAOYSA-N 364.426 4.627 0 40 FJAB CCOc1cccc2s/c(=N/C(=O)c3ccc(Cl)cc3)n(CC)c12 12378126 FJXSGYGFUPMKBW-CZIZESTLSA-N 360.866 4.516 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12819215 ZACCLWKBCWIWSK-UHFFFAOYSA-N 361.376 4.832 0 40 FJAB CCOc1cc2c(cc1NC(=O)COc1ccccc1C(C)C)O[C@H](C)C2 12888338 HTLNEUGIHBAUFU-OAHLLOKOSA-N 369.461 4.550 0 40 FJAB FC(F)(F)c1nc(Sc2ccc3c(c2)OCCO3)c2ccccc2n1 14242634 LBJKMHLVGRDEGR-UHFFFAOYSA-N 364.348 4.571 0 40 FJAB CC(=O)N1CCc2cc(NC(=O)c3cc4c(s3)CCCCCC4)ccc21 14896672 BTGAZOOQBPVCJL-UHFFFAOYSA-N 368.502 4.568 0 40 FJAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(Cl)c1 20138066 BMUSMYUCURLWMT-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cccc(F)c1 20738837 NXTOMAZECKPTRW-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB CCc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CCC3)cc1 20796787 VUKXIQWYFMTYDV-UHFFFAOYSA-N 361.445 4.706 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 22019217 BLMSIJNBEPDRNC-QGZVFWFLSA-N 373.412 4.599 0 40 FJAB COc1cccc(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)c1 22072774 ADNFNEVKCPPZAJ-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB O=C(Nc1cccc2c1CCCC2)c1ccc(NC(=O)c2ccco2)cc1 22834064 XEUBXAYQDGCDJA-UHFFFAOYSA-N 360.413 4.663 0 40 FJAB CSc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 25537026 SCYVBXXFLVGWJX-IBGZPJMESA-N 371.477 4.874 0 40 FJAB CCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 29074879 AUCHALXBXXPFLN-UHFFFAOYSA-N 359.429 4.713 0 40 FJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(Cc2ccccc2)n1 33162598 JAEYJCMTZVUZRV-HNNXBMFYSA-N 368.477 4.635 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087469 NLGCXQRKQVJTOX-UHFFFAOYSA-N 372.877 4.848 0 40 FJAB CC[C@@H](C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 50545791 MHMOODWSWLVBIZ-CYBMUJFWSA-N 366.465 4.627 0 40 FJAB Cc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(O)c1 57988007 NCLBBMLFLXXWOC-UHFFFAOYSA-N 360.772 4.709 0 40 FJAB O=C(NOCc1ccccc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 58390734 RYZCPTBKZVBOMN-DLBZAZTESA-N 364.470 4.594 0 40 FJAB CCNc1cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)ccn1 72311882 RJUISMXFKOEAQW-MRXNPFEDSA-N 360.461 4.939 0 40 FJAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2Cc2ccccc2)n1 72359926 DTWPXMSYYIBMRD-SFHVURJKSA-N 365.506 4.631 0 40 FJAB O=C(c1ccccc1Br)N1CCC(c2ccsc2)CC1 75157145 VCWPSRDOQLWZCR-UHFFFAOYSA-N 350.281 4.530 0 40 FJAB COc1ccc(-c2csc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1F 103469167 DMLMGSBJSPPGTH-SGMGOOAPSA-N 360.454 4.723 0 40 FJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(-c2nc3ccccc3s2)o1 104743395 LAARIEQRYDWBCP-SOUVJXGZSA-N 366.486 4.999 0 40 FJAB CC(C)[C@@H]1[C@H]2CC[C@H]1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12 113043362 XTDZGXBTXBEZDN-WOSRLPQWSA-N 359.420 4.857 0 40 FJAB in-vitro COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1C(C)C 223350752 JQAKYEPSEWTMDQ-SJORKVTESA-N 355.478 4.772 0 40 FJAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(F)c(F)c2)c1 225565563 UIFPWEUDCPTSNN-UHFFFAOYSA-N 364.461 4.671 0 40 FJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225624798 LFRKXMVVTATUJN-IFXJQAMLSA-N 371.905 4.678 0 40 FJAB Cc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2F)cc1 225735333 DJDPMFDWRMEQPU-UHFFFAOYSA-N 351.874 4.679 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)N(C)c3ccc(C)c(C)c3)cc2)n1 225913160 JWCGEGUODZGJHS-UHFFFAOYSA-N 360.461 4.730 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 408619945 DQISYYKPCLWGRO-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3cccs3)s2)cc1 1061456 GTPJOWDURNUNLN-UHFFFAOYSA-N 373.503 4.728 0 40 FJAB COc1ccc(COC(=O)N/C=C/c2ccc(Cl)c(Cl)c2)cc1 1388863 ALGWAQNYXROCFB-CMDGGOBGSA-N 352.217 4.899 0 40 FJAB COc1cccc(Nc2nc(-c3cccc(OC)c3O)nc3ccccc23)c1 2247664 MENSGWDATASWEV-UHFFFAOYSA-N 373.412 4.763 0 40 FJAB CCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccccc1-2 2741868 XJJQTPUCMQCJNL-INIZCTEOSA-N 370.503 4.995 0 40 FJAB COc1cccc(OCCNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1 3073525 YMFBZJMBTJKJFB-NTCAYCPXSA-N 373.452 4.571 0 40 FJAB biogenic CC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 3321173 XTBHNHYXFSKTPD-UHFFFAOYSA-N 369.424 4.789 0 40 FJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)C1 3671342 XGZUOJSRRGIHTF-JTSKRJEESA-N 366.461 4.573 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc2noc(-c3ccccc3)c2c1 5032125 HMAJAADEESQPNN-XSFVSMFZSA-N 366.376 4.839 0 40 FJAB COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(OC)cc2O)cc1 5389044 UBXVJVWFAZRFEI-UHFFFAOYSA-N 365.307 4.750 0 40 FJAB biogenic COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 5514290 HJQSAOPFTUKHQY-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F 6460877 LTAHHRUSWXGVRA-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 6597871 XZOWONVNGBYESD-BMGDILEWSA-N 352.405 4.788 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 6647266 KWUCVAZRHHAMHZ-UHFFFAOYSA-N 354.381 4.570 0 40 FJAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc3ccccc3n2C(C)C)cc1 7097517 VNGXGFVJBODTTK-INIZCTEOSA-N 367.518 4.723 0 40 FJAB COc1cccc(CN(C)C(=O)c2cccc(OCc3ccccc3)c2)c1 8428788 GAOCYWZOHNWJOC-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB Cc1ccc2cc(-c3noc(-c4ccc(C(C)(C)C)cc4)n3)c(=O)[nH]c2c1 9216380 FCGSVIWDLLKROU-UHFFFAOYSA-N 359.429 4.851 0 40 FJAB Cc1ccc(OCc2nc(C(=O)Nc3cc(F)cc(F)c3)cs2)cc1 12775175 LAWSSCYISXFMJX-UHFFFAOYSA-N 360.385 4.561 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@H](C)c1ccccc1 12989580 BTOQZERFBYHVNI-CQSZACIVSA-N 368.458 4.735 0 40 FJAB CN(CCc1ccccn1)C(=S)Nc1cc(C(F)(F)F)ccc1Cl 13729427 FDOSOXXWTOXVAM-UHFFFAOYSA-N 373.831 4.625 0 40 FJAB Cc1cccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c1 15881493 KJLZEFVXAZVRPY-UHFFFAOYSA-N 374.444 4.762 0 40 FJAB Cc1cc(C)cc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)c1 18156683 UVIXUERXADAKNW-INIZCTEOSA-N 361.420 4.889 0 40 FJAB c1ccc(CN2CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1 19321093 IBEQWAVMMWLFEI-UHFFFAOYSA-N 360.441 4.684 0 40 FJAB CCOCCOc1ccc(NCCOc2ccccc2C(C)(C)C)cc1 19738433 KNZABIGCPONGHL-UHFFFAOYSA-N 357.494 4.890 0 40 FJAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 20035309 NNYJHCJYZZRPNV-HXUWFJFHSA-N 371.889 4.716 0 40 FJAB CC(C)OC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 20160067 LJBXCSQJOVUBHP-VMPITWQZSA-N 353.187 4.813 0 40 FJAB CC(C)N1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 20549631 ZOFVYLMMCVOILF-NRFANRHFSA-N 368.546 4.509 0 40 FJAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)ccc1O 22067730 MWDYATCWJFIPIL-UHFFFAOYSA-N 370.861 4.985 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(F)cc1Cl 24353663 KXHIZMIIJQKVAW-UHFFFAOYSA-N 350.802 4.685 0 40 FJAB Cc1ccc2[nH]c(C(=O)O[C@@H](C)c3nnc(-c4cccs4)o3)cc2c1 29030780 IBGKMPAAGJKHSP-NSHDSACASA-N 353.403 4.506 0 40 FJAB CC1CCN([C@H](CNC(=O)C(C)(C)c2ccccc2)c2cccs2)CC1 32903736 QGLOGOJAZYHZFN-LJQANCHMSA-N 370.562 4.615 0 40 FJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 40946149 AUCJFGBWPIJWPC-JTQLQIEISA-N 373.758 4.773 0 40 FJAB CCOc1ccc2cc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)[nH]c2c1 48287828 HKNVINUYCVTDNG-SUMWQHHRSA-N 352.434 4.555 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358004 BYLDASOEIQLRDL-NRFANRHFSA-N 352.453 4.665 0 40 FJAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccccc1Cl 84502313 MIVRLQWROYZAHE-HXUWFJFHSA-N 355.865 4.571 0 40 FJAB COc1ccc([C@H](NC(=O)N2CCC[C@@H](C)CC2)c2ccc(F)cc2)cc1 84697640 VPUKAKQHTZVKON-IIBYNOLFSA-N 370.468 4.755 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cnc3n2CCC3)c1 90607224 JVDYPACVCQIYEY-UHFFFAOYSA-N 352.825 4.794 0 40 FJAB CC[Si](CC)(CC)c1c(Br)cccc1Br 195922603 YEBAJRWBSFLCOW-UHFFFAOYSA-N 350.170 4.927 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(OC)c(C)c2)c2ccccc2O1 222793537 DDTXDKZBSCVBQO-LJQANCHMSA-N 367.489 4.745 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222969361 VXGKFPVSUHXVIG-VGOFRKELSA-N 351.490 4.909 0 40 FJAB O=C(CCSc1ccc(Cl)cc1)NCCOc1ccccc1Cl 223417932 SLIVYYVEMFPHQV-UHFFFAOYSA-N 370.301 4.671 0 40 FJAB COc1cccc2cc(C(=O)NCCOc3ccccc3C(C)(C)C)oc12 223696940 SFMWELPEBXTINE-UHFFFAOYSA-N 367.445 4.548 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CCCc2ccccc21 225066087 UVLAZNKTJMFOJQ-XZOQPEGZSA-N 363.501 4.917 0 40 FJAB CC[C@H]1N=C(c2cccc(F)c2)c2cccn2-c2cc3c(cc21)OCCO3 225375653 TWVIZXJZWTXQCH-QGZVFWFLSA-N 362.404 4.690 0 40 FJAB CCCNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225432284 BKETYRTWWDTICE-UHFFFAOYSA-N 361.445 4.945 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(OCc2ccccc2Cl)c1 225776740 QIVDOJCHNNXIQO-MDOVXXIYSA-N 355.865 4.837 0 40 FJAB CCCCn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1cccc(F)c1 257285381 PGUVBAQYWIUOJN-UHFFFAOYSA-N 368.408 4.863 0 40 FJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260772218 MUZGMHLPAWLDQG-TYCQWZJGSA-N 374.513 4.770 0 40 FJAB O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1cccc(Cl)c1 1630459619 RNYIXYGNTIYHDK-HXUWFJFHSA-N 350.849 4.794 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Cc2ccncc2)cc1 784071 LDHDMUCNQFGVBX-UHFFFAOYSA-N 368.436 4.843 0 40 FJAB O=C(O[C@@H]1CC(c2ccccc2)=NN=C1c1ccccc1)c1ccccc1 1421761 SSECRSIOVRLWBA-OAQYLSRUSA-N 354.409 4.509 0 40 FJAB O[C@](CCN1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(F)cc1 1615886 KLSLQEPOLKVONQ-MTNXOHHFSA-N 353.481 4.574 0 40 FJAB Cc1cc(OCCCC(=O)Nc2nnc(C(C)C)s2)cc(C)c1Cl 1787146 HYOCWDJVDISBKP-UHFFFAOYSA-N 367.902 4.729 0 40 FJAB O=C(COC(=O)c1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 1943882 LLHSPJRITOOJSQ-UHFFFAOYSA-N 374.223 4.942 0 40 FJAB CC1(C)C[C@@H]([C@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 2250219 GWHQVUJDGHPJKS-ZWKOTPCHSA-N 357.519 4.857 0 40 FJAB CCCn1c(SC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2339144 FHRBXLZZYWMUFH-UHFFFAOYSA-N 354.519 4.800 0 40 FJAB O=C(CCCSc1nc2ccccc2s1)NCc1ccccc1F 2651609 JKHFNDLWDVHSHQ-UHFFFAOYSA-N 360.479 4.624 0 40 FJAB Cc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(C)ccc32)c1 2690554 FNMZWOGHDWDSKI-UHFFFAOYSA-N 367.448 4.898 0 40 FJAB Cc1nc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2s1 3209519 AEUJKOOYVCUOLN-UHFFFAOYSA-N 360.504 4.639 0 40 FJAB Cc1ccc(CNC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 3249310 KADXEXIJZZRMJP-UHFFFAOYSA-N 350.487 4.594 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4616451 GXDPAPCKGJEFRQ-CQSZACIVSA-N 370.880 4.629 0 40 FJAB CCOC(=O)C1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 4966334 BAHQLZZSCHLHQB-UHFFFAOYSA-N 373.499 4.531 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 5547128 MPHJKSGGLNJSLF-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 6629550 UGYDHDWCRRJLQO-GZTJUZNOSA-N 358.438 4.680 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C)c(C)c2)cc1 6810689 ZYQZVMUYUZGHAK-UHFFFAOYSA-N 363.457 4.813 0 40 FJAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(F)c1 6932339 BDOGDGGUJMYTEJ-IBGZPJMESA-N 367.351 4.502 0 40 FJAB O=C(N[C@H]1CCOc2ccccc21)c1cc(-c2ccco2)nc2ccccc12 7215275 DJHSIBQSLZMUSF-IBGZPJMESA-N 370.408 4.748 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCCc1ccccc1 7540068 LEFWXGYEMMOTEX-UHFFFAOYSA-N 361.485 4.649 0 40 FJAB Cc1occc1-c1nnc(SCc2cscn2)n1-c1ccccc1 8192540 RAGPIRIUNTYYMQ-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2cccs2)c1=S 8752863 WAWNEJWJSXDUCC-ZDUSSCGKSA-N 360.508 4.550 0 40 FJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)cc1 9250933 RSJIWTFCOMWGMF-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Fc1ccccc1-c1n[nH]c(SCc2cccc(Br)c2)n1 9837303 SSASZFNLYDSYCX-UHFFFAOYSA-N 364.243 4.666 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10433914 GCHONKFUSHPIHN-UHFFFAOYSA-N 366.505 4.695 0 40 FJAB CC(C)Oc1ccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)cc1 12128748 BGQBPEKBXHMWQG-FCHUYYIVSA-N 361.489 4.580 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@@H](CCCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12652890 WJHCKHVBUITAAF-NJYSJTHYSA-N 351.531 4.936 0 40 FJAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3ccoc3C)n2C)c1C 12784611 WYBXVXGAEYOLFB-UHFFFAOYSA-N 369.490 4.592 0 40 FJAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 12985650 GXMXHUZVTQFPJV-CQSZACIVSA-N 369.848 4.959 0 40 FJAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)cc(Cl)c1OC(C)C 13041008 VLLLHSXRKITKLV-SFHVURJKSA-N 373.880 4.943 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13057831 VYZOCEONWSXNJT-MYMYQCDVSA-N 352.305 4.577 0 40 FJAB C/C(Cl)=C\CSc1nc2ccccc2c(=O)n1Cc1ccccc1 13551485 GJQYGSMXLYZAJA-SDNWHVSQSA-N 356.878 4.680 0 40 FJAB Cc1ccc(-c2nnc(SCc3cc(F)cc4c3OCOC4)o2)cc1C 14019264 PQJBSLIVAWEADQ-UHFFFAOYSA-N 372.421 4.651 0 40 FJAB Cc1nc(Nc2nc(C)c(C)s2)ncc1C(=O)Nc1ccccc1Cl 14607514 ZEBUGFHLYOPAIY-UHFFFAOYSA-N 373.869 4.508 0 40 FJAB CCCCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 17269856 BBEUJILWGKNINY-UHFFFAOYSA-N 367.497 4.648 0 40 FJAB Cc1cc(N)nc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 19297967 BGQGBWFKHZLBKG-UHFFFAOYSA-N 373.485 4.512 0 40 FJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1 19958489 RJJOGDUQQXDQDW-UHFFFAOYSA-N 363.891 4.913 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 20030090 NTPNNNJQAOLNMD-NSHDSACASA-N 357.866 4.658 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 20038700 MVLGYNQIOSQFLJ-PXNSSMCTSA-N 355.478 4.737 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1 20110911 PTAQECLCLJMBHO-MRXNPFEDSA-N 356.897 4.502 0 40 FJAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 20490796 YYVAWKSWMCBIEF-QFIPXVFZSA-N 365.860 4.933 0 40 FJAB CCOc1ccc([C@H]2CCCN2Cc2noc(-c3ccc(C)cc3)n2)cc1 24981888 VVSUJAQMDCECMZ-HXUWFJFHSA-N 363.461 4.781 0 40 FJAB COc1ccc([C@@H](C)NCc2cccc(OCc3ccccn3)c2)cc1F 30628193 BQMAWUVHUQYWFC-MRXNPFEDSA-N 366.436 4.659 0 40 FJAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc21 32911102 HKIPYXORCAZWMK-HNNXBMFYSA-N 353.491 4.812 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccc(Cl)cc1 36366181 WVAGXUJIXTVZNZ-OAHLLOKOSA-N 353.809 4.658 0 40 FJAB c1ccc(-c2nnc(CN(Cc3ccco3)Cc3cccs3)o2)cc1 39985870 MREGHSYWGBRJAK-UHFFFAOYSA-N 351.431 4.594 0 40 FJAB O=C(/C=C/c1cccs1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 44225020 ASXGAVWCXPRANS-VAWYXSNFSA-N 365.502 4.728 0 40 FJAB C[C@H]1CN(Cc2ccccc2NCc2c(F)cccc2Cl)C[C@@H](C)O1 58363127 WVYCSBMHJZKLMI-GASCZTMLSA-N 362.876 4.700 0 40 FJAB Cc1nc(CN(C)C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cs1 60140106 GRQBTMRQZRHYJD-AWEZNQCLSA-N 362.564 4.936 0 40 FJAB Cc1nc(SCC[S@@](=O)c2ccccc2)n(C2CCCCC2)c1C 60710244 KRTPOULFNVRYMC-DEOSSOPVSA-N 362.564 4.905 0 40 FJAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3)no2)cc1 61997109 RPSPRFLSSLJZTN-UHFFFAOYSA-N 366.417 4.781 0 40 FJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nccs1 72402919 DNTQOESOPSEHEG-LBPRGKRZSA-N 371.289 4.600 0 40 FJAB C[C@@H](NC(=O)Nc1cccc(N2CCCCC2)c1)c1ccc(F)cc1F 84651676 UPBUNGYRSZDEMM-CQSZACIVSA-N 359.420 4.838 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(C(F)(F)F)cc2)S1 85412212 SQMFMEIYIHDANO-CYBMUJFWSA-N 355.385 4.662 0 40 FJAB CC(C)n1ccc2c(NC(=O)C3(c4ccccc4)CCOCC3)cccc21 85875478 BFSAXRMQMDWWIL-UHFFFAOYSA-N 362.473 4.909 0 40 FJAB biogenic O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1C[C@H]1c1c(F)cccc1F 89768113 HMQGYXWNCIAILB-NOZJJQNGSA-N 357.187 4.949 0 40 FJAB CSc1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)o1 113722970 PENDGVOKKBBBEC-UHFFFAOYSA-N 365.414 4.693 0 40 FJAB O=C(CCSc1ccccc1)N1CCS[C@H](c2ccccc2)CC1 208041292 ZVCHHIQNACARKQ-IBGZPJMESA-N 357.544 4.876 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2Br)cc1 222873450 PVWJWKVBEPMIFQ-KRWDZBQOSA-N 362.267 4.808 0 40 FJAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222934197 SXUSUUGOIPIIHR-FQEVSTJZSA-N 369.505 4.857 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 223435631 QLOUWCANSHBOAA-UHFFFAOYSA-N 362.303 4.825 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 224171641 RZSZJTVVEHVQEI-FXAWDEMLSA-N 355.478 4.655 0 40 FJAB CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 225191968 UBAAIRPDDKQGEV-UHFFFAOYSA-N 370.232 4.662 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 225703939 RGDMUNQVMJWPAC-APWZRJJASA-N 355.478 4.601 0 40 FJAB Cl[C@]1(Br)[C@H]2CC[C@H]3[C@@H](CC[C@H]21)[C@]3(Cl)Br 307087887 SFVAUXRMMFFMJV-JJHQMRDJSA-N 362.920 4.712 0 40 FJAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 677563577 KHYXCZHRTWXLOG-HNNXBMFYSA-N 367.827 4.705 0 40 FJAB CCc1oc2cc(OC(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 630400 BFWIBLCSXRCATM-UHFFFAOYSA-N 366.413 4.581 0 40 FJAB biogenic Cc1c(Cl)cccc1NC(=O)c1cccc(I)c1 826245 PELPACNDNCXQQO-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 872535 XBIMCMCUDWHOQB-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C)C2 951631 XICDRPDCDGUCSB-JTQLQIEISA-N 363.866 4.565 0 40 FJAB COc1ccc(NC(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)cc1 1398195 ZBHGFVFJGDUCIV-UHFFFAOYSA-N 363.442 4.563 0 40 FJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 1505349 DQHTYICOSPWQPM-GOSISDBHSA-N 367.836 4.542 0 40 FJAB COc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)cc1 2130749 NHWXQGNCQKMEBQ-ABSORMQESA-N 362.473 4.871 0 40 FJAB biogenic Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CC(C)(C)SC4)cc1 2322538 LYXPPMCADKAFDZ-UHFFFAOYSA-N 374.556 4.986 0 40 FJAB c1ccc(-c2ccc(OCc3nc4c5ccccc5ncn4n3)cc2)cc1 2806594 HDBLMHOAOOWPFD-UHFFFAOYSA-N 352.397 4.524 0 40 FJAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(C2CCCCC2)cc1 3094691 ANONORHHOPRFLM-UHFFFAOYSA-N 350.871 4.584 0 40 FJAB COc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2ccccc2)c1 4280479 YNZXZSPSRYLTNW-XZOQPEGZSA-N 360.409 4.597 0 40 FJAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 4927015 XVQNSOXVRLMTQS-UHFFFAOYSA-N 364.470 4.899 0 40 FJAB CC(C)(C)c1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1 5070733 HOOOIFUAKBTNDK-UHFFFAOYSA-N 364.474 4.729 0 40 FJAB CSc1nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2s1 5861238 VKXNSTALTFNPNF-UHFFFAOYSA-N 351.456 4.819 0 40 FJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(OC(F)F)cc1 6337068 YNFKPKKJAJGTKC-FMIVXFBMSA-N 374.774 4.596 0 40 FJAB CCOc1ccc2ccccc2c1[C@H](Cc1ccc(Cl)cc1)NCCO 6411353 PCQNNQHKFJDEHM-FQEVSTJZSA-N 369.892 4.758 0 40 FJAB O=C1C[C@H](C(=O)N(C2CCCCC2)C2CCCCC2)[C@H](c2ccccc2)O1 6646122 HAWMNJXPWCLHCI-UNMCSNQZSA-N 369.505 4.785 0 40 FJAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc[nH]1 7983452 SGVOUEVVBOPFPA-UHFFFAOYSA-N 367.908 4.620 0 40 FJAB Cc1cc2c(cc1/C=C1/SC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 8336782 WRDHZBYTIXJEEF-FRKPEAEDSA-N 373.817 4.618 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nccn2C)c2ccccc2)c1 8424867 QDRXSZPFGGSLIY-GOSISDBHSA-N 351.475 4.509 0 40 FJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(C)c2)c1 8476893 ACWOVMJEZMETIN-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 8562666 VHEXDDJFSQBVGQ-INIZCTEOSA-N 374.440 4.718 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4C)cc3n2)cc1 8590949 RWFMAKHIFIYXQD-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 8654015 PAAPYGKQZOHGNG-AEFFLSMTSA-N 361.489 4.911 0 40 FJAB CCCOC(=O)c1ccc2nc(C)c(CN3CCCC[C@@H]3CC)c(O)c2c1 8717332 UUBLOMGJMUOWRT-KRWDZBQOSA-N 370.493 4.580 0 40 FJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)O)cc1 8720902 XGGYNOALMDYQAQ-VFNWGFHPSA-N 372.424 4.713 0 40 FJAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1c1ccc(O)cc1 9422909 TXFYLOQBAAMDAT-IBGZPJMESA-N 350.805 4.817 0 40 FJAB Cc1ccc(C)c(N2CCN(C(=S)Nc3cccc(C)c3Cl)CC2)c1 9876923 IRJHZBFKKVQDDM-UHFFFAOYSA-N 373.953 4.784 0 40 FJAB O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCc2ccccc21 10367674 MRGUCHWELVRQSA-UHFFFAOYSA-N 367.408 4.607 0 40 FJAB COc1ccc(C2=NCC(=S)Nc3ccc(Cl)cc32)cc1Cl 13555475 AQQVKLDOOSEYSC-UHFFFAOYSA-N 351.258 4.592 0 40 FJAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCCCC2)cc1)CCC3 13563477 CCTXJMDRDXRLEE-UHFFFAOYSA-N 373.500 4.619 0 40 FJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(C)c1 13768721 AVFJPISLXYRUTR-UHFFFAOYSA-N 362.473 4.587 0 40 FJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1F 14268155 AYKQGLYBXVUWFC-UHFFFAOYSA-N 360.335 4.639 0 40 FJAB Cc1ccc([C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2)cc1 14577293 RXLVTRXTFMSFAY-FPSGLDNTSA-N 371.436 4.643 0 40 FJAB CC(C)Oc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15017843 UVRPVXQWNNHABD-KRWDZBQOSA-N 374.278 4.539 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 15330570 NVGLSEBZWFCNDW-LLVKDONJSA-N 368.658 4.817 0 40 FJAB O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)CCO4)cs2)cc1)C1CC1 15565804 RTBGIYHXUXMMQM-UHFFFAOYSA-N 362.454 4.761 0 40 FJAB CCc1ccc(N2C(=O)CS[C@H]2c2cccc(Br)c2)cc1 19927340 BDCYXMQEVJFFGK-KRWDZBQOSA-N 362.292 4.790 0 40 FJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(OC)cc1 21785444 XJIFGXJLWAEAEI-UHFFFAOYSA-N 373.455 4.524 0 40 FJAB O=C(Nc1ccccc1)c1cccnc1Nc1ccccc1Br 22053707 RPYNPPFXTAZEJB-UHFFFAOYSA-N 368.234 4.840 0 40 FJAB CC(=O)NCCc1ccc(-c2csc(Cc3cccc(Cl)c3)n2)cc1 26981752 ZOYXVLVTHGJFIT-UHFFFAOYSA-N 370.905 4.733 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 30754329 UEIQNXXOAOODSI-KRWDZBQOSA-N 352.478 4.570 0 40 FJAB COc1ccccc1/C=C/C(=O)OCc1cc2ccc(C)cc2nc1Cl 32876683 OLPPBIUISPOQFO-MDZDMXLPSA-N 367.832 4.962 0 40 FJAB Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)c(C)c1 33739554 UPNCRVFTGLTHPY-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833866 UWJVHQICGBVXMO-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)cc1 72329002 MNUBRNPTIXHDTH-MRXNPFEDSA-N 363.461 4.747 0 40 FJAB Cc1ccc([C@@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 97088720 HHEBWGFQLNAIMR-IBGZPJMESA-N 364.449 4.561 0 40 FJAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)c1cc3cc(Cl)ccc3oc1=O)C2 101028979 CBFWQRKCLVOYKR-CBLJQSSYSA-N 360.837 4.818 0 40 FJAB Cc1noc2c1[C@H](c1cccnc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102721970 KXXSQQWERJZWPQ-UZLBHIALSA-N 357.413 4.986 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2C[C@@H](C)C[C@H](C)C2)c(C)cc1N 216866452 WUQMNXDSSCVRBA-GJZGRUSLSA-N 351.494 4.620 0 40 FJAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222600513 OMDLFLVNNSVMJS-ZLGUVYLKSA-N 374.513 4.770 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1C 225181136 KZKUNUGFWLMQQF-DYESRHJHSA-N 351.490 4.909 0 40 FJAB Cc1ccc(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225388237 MKZZGAZQRQCCNM-UHFFFAOYSA-N 352.425 4.933 0 40 FJAB Fc1ccc(CNC(=S)c2ccccc2OCc2ccccc2)cc1 408578816 ZLGNYBMEIZXZMN-UHFFFAOYSA-N 351.446 4.870 0 40 FJAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409010905 GFOARGOGCFYQOL-BRFSQIRFSA-N 354.475 4.929 0 40 FJAB CCOc1ccc(NC(=O)NC[C@H](c2ccsc2)c2ccco2)cc1 618255834 ALYYMGQQKMSXFZ-QGZVFWFLSA-N 356.447 4.693 0 40 FJAB C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 1292911449 YVRJEOZIPJEVMT-XIKOKIGWSA-N 367.399 4.660 0 40 FJAB O=C(/C=C/c1cccs1)NCc1ccc(OCc2ccccc2F)cc1 1528168748 YJYCBYRBJPGLQO-VAWYXSNFSA-N 367.445 4.796 0 40 FJAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1Cl 854198 DJHZYEIILCCWPH-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB CCOc1ccc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 936334 LFVROOHAAOOJJQ-RIYZIHGNSA-N 355.434 4.535 0 40 FJAB Cc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1C 979612 SJZVMSWJKPORJY-UHFFFAOYSA-N 356.422 4.937 0 40 FJAB Cc1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c(C)n1C 3486494 ZYEOSZLDYSJYTQ-UHFFFAOYSA-N 351.431 4.764 0 40 FJAB Cc1ccc(N2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 4471698 ZWIGUFBIZUSNLM-XNTDXEJSSA-N 374.259 4.998 0 40 FJAB COCCSc1ccccc1C(=O)Nc1nc2ccc(C)cc2s1 4510377 PRLKKCUUYLEPHN-UHFFFAOYSA-N 358.488 4.596 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 4554808 FYEBAHGFXYKAFN-VAWYXSNFSA-N 374.831 4.726 0 40 FJAB O=C(CN(C1=NCCCS1)c1ccc(Cl)cc1)c1ccc(F)cc1 4708509 SAAXCEWMINADSI-UHFFFAOYSA-N 362.857 4.661 0 40 FJAB CCOC(=O)c1cnc2c(OC)nccc2c1Sc1ccc(Cl)cc1 4709499 LIQQJCVLNIMABP-UHFFFAOYSA-N 374.849 4.620 0 40 FJAB CSc1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 5222394 KSURGTRUUNKLMI-UHFFFAOYSA-N 352.484 4.883 0 40 FJAB COc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3cccnc3)=NN2)cc1 6077053 GEYRVOBPEGXTQP-UHFFFAOYSA-N 370.456 4.648 0 40 FJAB C[C@H]1C[C@H](NC(=S)NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1 6481463 VNQRHLZZPSCMGT-JQWIXIFHSA-N 373.349 4.813 0 40 FJAB Cc1ccc(C)c(Sc2ncccc2C(=O)NN2[C@H](C)CCC[C@H]2C)c1 6583714 FBNQRLFZMXMLRF-IAGOWNOFSA-N 369.534 4.757 0 40 FJAB CC(C)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 6752621 QSIKBZWECGKZKW-HNNXBMFYSA-N 367.880 4.866 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1OC 6815109 WLEYLUHCJWVMCJ-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)Cc3ccc(F)cc3)c2cc1C(C)C 6826310 OBBXJIYOHBFFBI-UHFFFAOYSA-N 368.404 4.650 0 40 FJAB CCOc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCCC2)cc1 6870358 BZSNJJNNOXBBLF-UHFFFAOYSA-N 368.452 4.886 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1 7107176 IHCHVXUYDGSTLU-UHFFFAOYSA-N 358.869 4.736 0 40 FJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 7310056 RUCOMNUTRKFHHB-SAAWKEMMSA-N 353.896 4.539 0 40 FJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8493539 FZTAXPFEACIECS-UHFFFAOYSA-N 370.518 4.825 0 40 FJAB Cc1ccc2c(CC(=O)Nc3ccc(Cl)cc3Cl)cc(=O)oc2c1 9704918 BKRITSHZXWEELA-UHFFFAOYSA-N 362.212 4.589 0 40 FJAB CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC 11917284 WTJXNKDVVORAQI-IBGZPJMESA-N 374.912 4.552 0 40 FJAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cc(F)cc(F)c1 12795321 NHUAJRSTVQVSEO-UHFFFAOYSA-N 358.291 4.846 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(F)cc3)c12 12997743 SWOVWQVRNCORQP-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB Cc1c(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)oc2ccccc12 13101872 QBBWMPWSORAEJM-JTQLQIEISA-N 350.443 4.831 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl 14264428 UJLGYHZIRZDARN-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB Cc1cccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c1C 16850227 RRSULBKMQKUBJP-UHFFFAOYSA-N 355.438 4.824 0 40 FJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 18109262 UUVDPDXJVWAPJC-MRXNPFEDSA-N 359.425 4.616 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2ccc(C)c(F)c2)cc1Cl 18921391 KAXIGEARTCPUHP-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB C[C@@H](NCc1ccc(OCc2cccs2)cc1)[C@H](O)c1ccccc1 22076411 AHZFATVSQZPAEZ-IERDGZPVSA-N 353.487 4.539 0 40 FJAB FC(F)(F)c1cnc(NCc2cnn(-c3ccccc3)c2)c(Cl)c1 22834218 WLAJBQAWBQZYHY-UHFFFAOYSA-N 352.747 4.552 0 40 FJAB Cc1noc(C)c1CSc1nc2c(Cl)c(C)nn2c2ccccc12 24534442 HDIRAOOFDCOEON-UHFFFAOYSA-N 358.854 4.741 0 40 FJAB O=C(Nc1cccc(F)c1)Nc1ccc(Br)c2cccnc12 27930318 MUHNOLALWZFDJZ-UHFFFAOYSA-N 360.186 4.780 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncc(Cl)cc1Cl 27975731 IRVUPIRXPGVGOB-INIZCTEOSA-N 365.260 4.673 0 40 FJAB Cc1occc1C(=O)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 28221637 GSOSBLYYWUEYMU-UHFFFAOYSA-N 363.348 4.696 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 32074954 MLOCEHXCPULURN-UHFFFAOYSA-N 367.408 4.752 0 40 FJAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 40119459 LOJBDSMSWVWULX-OAHLLOKOSA-N 374.431 4.915 0 40 FJAB CCc1cccc(CC)c1NC(=O)CSc1ccc(OC)c(OC)c1 44849179 BLSQOTPMAAMDQN-UHFFFAOYSA-N 359.491 4.559 0 40 FJAB CC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 48273329 NDCPNGWXADTNAC-CYBMUJFWSA-N 351.406 4.582 0 40 FJAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc(-c2ccccc2F)o1 65479050 JJKDUHRHTPCAGK-UHFFFAOYSA-N 362.360 4.671 0 40 FJAB Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 72358381 NGJRYTCOOBBJKT-GOSISDBHSA-N 365.427 4.801 0 40 FJAB Cc1nnc(Nc2cccc(C3CCN(C[C@@H]4CC=CCC4)CC3)n2)s1 72376182 NMARUWCPYUILIL-MRXNPFEDSA-N 369.538 4.521 0 40 FJAB Cn1cccc1[C@H]1CCCN1C(=S)Nc1cccc(C(F)(F)F)c1 84321852 RTVUFCXKEPLCFK-OAHLLOKOSA-N 353.413 4.578 0 40 FJAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1cccc(-c2cn[nH]c2)c1 89826129 ZRDWRIDTOLYMIA-KRWDZBQOSA-N 359.351 4.751 0 40 FJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3F)c2)o1 96294540 XCWUYSPUGNSZNK-UHFFFAOYSA-N 358.752 4.909 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 102579274 QFYRTWGHSWGXDZ-AWEZNQCLSA-N 360.508 4.759 0 40 FJAB CCCC[Sn](CCCC)(CCCC)c1ncc(C)[nH]1 197144632 FWKYDVGWBWUQFU-UHFFFAOYSA-N 371.157 4.774 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCS[C@H](c2ccccc2F)CC1 219100833 PIGFACXKIVBQLO-IBGZPJMESA-N 355.434 4.892 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 219591717 XSORQGZAHKEZJF-QFIPXVFZSA-N 369.505 4.689 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Br)cc1F 224156782 DGBAKWBHJWNSPQ-UHFFFAOYSA-N 360.585 4.562 0 40 FJAB O=C(NCc1cccc(CN2CCCCC2)c1)Nc1ccc(Cl)cc1 224695487 AZZOGWPDOXYWTN-UHFFFAOYSA-N 357.885 4.648 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1ccccc1CN1CCCCC1 224805963 XKGUAZQCZWYAGZ-OUKQBFOZSA-N 368.908 4.656 0 40 FJAB CC(C)CSc1nnc(NC(=O)CCSCc2ccccc2)s1 225710982 WLBRELKTNPIZPR-UHFFFAOYSA-N 367.565 4.548 0 40 FJAB CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)cc1 252502844 UVBZSAQBSFTTCT-UHFFFAOYSA-N 373.412 4.647 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 408679050 HVRFUXOHAVAPNQ-ZDUSSCGKSA-N 352.261 4.694 0 40 FJAB COCCCN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409232051 GSTCFFBCMUHVCF-NBVRZTHBSA-N 369.442 4.552 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(C(F)(F)F)nc1 575621696 RHCDGAHYWKRYPE-NSHDSACASA-N 364.392 4.676 0 40 FJAB C[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccn1 644854251 KKIAKKVVGZKJKY-LBPRGKRZSA-N 360.335 4.851 0 40 FJAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc(Cl)c2)c1 1889148839 ILKSLYBQBGZFTB-SJPCQFCGSA-N 364.276 4.507 0 40 FJAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NCc1ccccc1 682557 NIXBXAIDJLKYJM-JTQLQIEISA-N 358.652 4.731 0 40 FJAB CCN(CC)C(=S)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 948432 FTBLKUPJDYHNJU-JTQLQIEISA-N 351.566 4.535 0 40 FJAB Cc1cc(C)c(-c2c(N)cc(Br)cc2Br)c(N)c1 1675952 GBOUZBGQEZQRIL-UHFFFAOYSA-N 370.088 4.660 0 40 FJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)c(Cl)c1)CO3 2194505 ABYOBWNPFPXFNA-UHFFFAOYSA-N 373.811 4.813 0 40 FJAB Cc1ccc(C)c(OCc2nc(-c3ccc(Br)cc3)no2)c1 2501848 UEIJRYNDYOSBFO-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 2570928 IOPVQVGCJAYUHG-IZZDOVSWSA-N 360.251 4.808 0 40 FJAB Cc1cc(Br)ccc1SCC(=O)N[C@H](C)c1ccccc1 2656065 GEYPUYJDEBAZEM-CYBMUJFWSA-N 364.308 4.727 0 40 FJAB Cc1ccc(NC(=O)CSc2nc3ccccc3nc2C)cc1Cl 2699472 HPPNJJKGLJNRNG-UHFFFAOYSA-N 357.866 4.631 0 40 FJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1ccc(C)cc1 3135897 WQBGLDQGUQKZPW-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB COc1cccc(CNC(=O)c2cc3[nH]c4c(c3cc2Cl)CCCC4)c1 4511136 QJMFTVFWSVXANH-UHFFFAOYSA-N 368.864 4.639 0 40 FJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(Cl)c1 5146680 AKLJNVZCEMEVDT-UHFFFAOYSA-N 367.861 4.897 0 40 FJAB COCCn1cc(NC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 5266552 PXIYMVHMRCRSMX-UHFFFAOYSA-N 351.450 4.857 0 40 FJAB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2cc1O 5444885 KIIKUDJXZVCGRP-UHFFFAOYSA-N 362.429 4.738 0 40 FJAB biogenic Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 5698272 PIJIMDLIXSEUGE-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB COc1ccc(CCSc2nnc(Nc3ccc(OC)cc3)s2)cc1 5934630 RIXQOPWLDCGGIX-UHFFFAOYSA-N 373.503 4.634 0 40 FJAB CCCCN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 6635487 GSEDOGHBOXXVPC-WJDWOHSUSA-N 372.402 4.691 0 40 FJAB O=C(CCc1nc2ccccc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 6670691 BIRIKLGCKKCURV-UHFFFAOYSA-N 369.468 4.725 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccccn2)cs1 6919853 YLQSOPGYEIEVPX-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1 6919903 IMBIIEZTSQYHDO-INIZCTEOSA-N 353.425 4.788 0 40 FJAB CC(C)Sc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 7495501 DPIYOGIWZDMVGB-UHFFFAOYSA-N 374.937 4.803 0 40 FJAB Cc1ccc(C)c(-c2csc(NC(=O)COc3cccc(F)c3)n2)c1 7723627 QSGXJNRVNUQYBN-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 9064391 MHRGIYPLVCZUTN-UHFFFAOYSA-N 358.869 4.837 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccc(F)cc1 9169277 ILJFHKKLPBWCRK-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB COc1ccc2cc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc2c1 9874123 YCRLVQFXBVSWSP-AWEZNQCLSA-N 369.848 4.586 0 40 FJAB O=C(CCn1ccc2ccccc21)Nc1cccc(NC(=O)c2ccco2)c1 10550547 JJOJYYINEFCHPP-UHFFFAOYSA-N 373.412 4.515 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14002876 BFQAIAMIKFPGHU-CCEZHUSRSA-N 362.473 4.663 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(C)=O)c1 19932085 VQUVGJOYTGHWIQ-QGZVFWFLSA-N 362.882 4.808 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1 20488255 BAOZEIXRFPJZHQ-HXUWFJFHSA-N 365.498 4.906 0 40 FJAB CC1CCN(Cc2csc(NC(=O)C[C@H](C)c3ccccc3)n2)CC1 22290920 FUWBVOLAFBTRTN-INIZCTEOSA-N 357.523 4.507 0 40 FJAB Cc1nc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cs1 24041873 WTLPIZCISHTEIK-UHFFFAOYSA-N 365.483 4.909 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1OCC 30852752 NSYJVUVNHYKQTF-SFHVURJKSA-N 369.505 4.554 0 40 FJAB Cc1cc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1Br 40097470 DMAURPDWHLNHJN-JTQLQIEISA-N 365.193 4.564 0 40 FJAB O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2cc(Cl)ccc2o1 40157517 ZHIPCEDOGYBSIA-UHFFFAOYSA-N 351.793 4.583 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccccc1C(F)(F)F 44608015 CFYUCPFCVRTOMT-CYBMUJFWSA-N 358.404 4.907 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccccc1F)NC2 55028126 BWCZEGWAXPCNCX-QFIPXVFZSA-N 366.436 4.606 0 40 FJAB CCCC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)cc1 58356425 XHUCVCKHNGFPEC-UHFFFAOYSA-N 366.442 4.914 0 40 FJAB Cc1cc(C)c(NC(=O)COc2c(C)cc(Cl)cc2Cl)c(N)c1 70462911 WSTJULKWMHSODP-UHFFFAOYSA-N 353.249 4.518 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1OCC 72094006 IIHGHAMLCPUCLZ-AWEZNQCLSA-N 361.869 4.557 0 40 FJAB COc1ccc(Cl)cc1C(=O)NCCc1c(C)[nH]c2c(C)ccc(C)c12 72265340 ISOXLJVLBXROAO-UHFFFAOYSA-N 370.880 4.728 0 40 FJAB c1ccc(COC[C@@H](Nc2ncnc3ccccc23)c2ccccc2)cc1 75145320 HSQWEOMIXUJFNH-JOCHJYFZSA-N 355.441 5.000 0 40 FJAB O=C(OCc1csc(-c2ccccc2Cl)n1)c1ccc2[nH]ncc2c1 84514789 SYPLWOPNONLVAH-UHFFFAOYSA-N 369.833 4.697 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@H](CCCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105363548 WJHCKHVBUITAAF-KWLWEVDOSA-N 351.531 4.936 0 40 FJAB biogenic O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)Nc1cccc(F)c1 109916169 VUIVAKWVVKSWDY-VQHVLOKHSA-N 352.340 4.804 0 40 FJAB O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC[C@@H]1c1ccco1 116495159 KKOJBPBLXPKHFK-GFCCVEGCSA-N 365.311 4.809 0 40 FJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1 223218438 HENQQJFHXQZZAT-UHFFFAOYSA-N 364.489 4.547 0 40 FJAB CCc1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)cc1 224280202 LFMHONKNBNFZBM-UHFFFAOYSA-N 373.496 4.843 0 40 FJAB Cc1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)cc1C 224280406 FKSFCTWCDXZVEN-UHFFFAOYSA-N 373.496 4.897 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccccc3)o2)cc1 224855837 ICSPHVMYLGCMJB-INIZCTEOSA-N 364.445 4.550 0 40 FJAB Cc1cccc(CSCCNC(=S)Nc2ccccc2Cl)c1 225336402 OGCLSWKVCYZTJA-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OCC)c(C(F)(F)F)c2)CCCC1 225849394 OWCWORDMSMIKKH-UHFFFAOYSA-N 359.388 4.782 0 40 FJAB Cn1cccc1CN(C(=O)c1ccc2oc(Cl)nc2c1)C1CCCCC1 225981109 SIWITSRIQWUKFW-UHFFFAOYSA-N 371.868 4.795 0 40 FJAB COc1ccccc1-c1cccc(NC(=O)N[C@H]2CCc3ccc(O)cc32)c1 1200098409 JNAFZITZTMHNDD-NRFANRHFSA-N 374.440 4.877 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2CC)c2ccccc12 1775971420 QPOCJTQHVCPRDS-UHFFFAOYSA-N 355.459 4.602 0 40 FJAB COc1ccc(OC)c(Nc2nc(-c3cccc(NC(C)=O)c3)cs2)c1 813396 MFULHDYFOFVCOS-UHFFFAOYSA-N 369.446 4.529 0 40 FJAB CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 822597 CGNFTBAYNOZJGF-XZOQPEGZSA-N 353.506 4.777 0 40 FJAB COc1ccc(-c2nc3ccccc3n2OCc2cccc(Cl)c2)cc1 1396572 NJJFXKKIGIDQAM-UHFFFAOYSA-N 364.832 4.994 0 40 FJAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)cc1 1982662 ZIUJPQKEPQBVDE-KRWDZBQOSA-N 369.461 4.830 0 40 FJAB Cc1ccc(-c2coc3cc4oc(=O)c(CCC(=O)O)c(C)c4cc23)cc1 2120343 IVPSOCGTIIFJDC-UHFFFAOYSA-N 362.381 4.840 0 40 FJAB biogenic O=c1c2c(ncn1Cc1ccccc1)-c1ccccc1CC21CCCCC1 2250957 QLGQVRKOFFPPKG-UHFFFAOYSA-N 356.469 4.717 0 40 FJAB O=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1 2557753 KMTRXJRUIWIHEX-UHFFFAOYSA-N 366.233 4.551 0 40 FJAB Cc1cc(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2C(F)(F)F)n1 3215470 WOZSZOJYFJYOCD-VAWYXSNFSA-N 371.362 4.851 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2)cc1OCC 3429177 MINDYGYUSXSGAL-ZDUSSCGKSA-N 362.470 4.671 0 40 FJAB CC(=O)Nc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137667 TXXOGGRFYCSLED-UHFFFAOYSA-N 358.423 4.747 0 40 FJAB COc1cccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)c1OC 4479388 PFBRLWCOLZXBHA-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB CSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4517394 BSPNAEYDYMOGGF-UHFFFAOYSA-N 370.455 4.513 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3)n2)cc1 4710791 FUNZOSUOESAMKN-KRWDZBQOSA-N 367.836 4.676 0 40 FJAB CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccccc1 5311671 XHBQPKHGSGMOQE-UHFFFAOYSA-N 368.487 4.974 0 40 FJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2Cl)N3)C1 6256303 CVXBKKMAHLCGKW-MRXNPFEDSA-N 361.898 4.597 0 40 FJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc4ccccc34)ccc12 6421492 PQEUWRCQLBGZPR-OAHLLOKOSA-N 373.408 4.661 0 40 FJAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N1CCc2ccccc21 6588255 DWRYSHXJUAZWER-CYBMUJFWSA-N 354.500 4.632 0 40 FJAB Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 6652995 RZKFDOJHXOCHDN-INIZCTEOSA-N 350.491 4.537 0 40 FJAB COc1ccc(-c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)nn1 7573286 QKZTUAJFNSZVDP-UHFFFAOYSA-N 374.227 4.711 0 40 FJAB Cc1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 7602164 CSARIYNALKGYKS-UHFFFAOYSA-N 355.250 4.560 0 40 FJAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 7976967 JNIOBNPGBJZDCZ-UHFFFAOYSA-N 358.507 4.601 0 40 FJAB O=C(c1cc2c(s1)CCC2)N1CCC(c2nc3ccccc3s2)CC1 8022717 ULLTYTNRDZVWKQ-UHFFFAOYSA-N 368.527 4.866 0 40 FJAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1)c1cccc2ccccc12 10330477 HMWXGIOWJCQBFG-HXUWFJFHSA-N 352.865 4.526 0 40 FJAB Cc1[nH]c2ccc(C(=O)NCCCc3nc4ccccc4s3)cc2c1C 11173809 MXFATVSJSKYSLR-UHFFFAOYSA-N 363.486 4.757 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)c(Br)c1 12562573 UZJNMSJOBROROS-CYBMUJFWSA-N 373.294 4.685 0 40 FJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccccc1 12935909 LIHMPUNZOLNZQQ-UHFFFAOYSA-N 355.821 4.637 0 40 FJAB CCCN1C(=O)CCc2cc(NC(=O)Cc3cccc4ccccc34)ccc21 13011073 SBKSEVAMAQRQHZ-UHFFFAOYSA-N 372.468 4.710 0 40 FJAB COC[C@H](C)n1c(-c2ccccc2F)cs/c1=N\c1ccccc1F 13209459 KHLZIABCVVMTPJ-XJGUCPAXSA-N 360.429 4.935 0 40 FJAB CC(=O)N[C@H](CSC/C=C(/C)CC/C=C(/C)CCC=C(C)C)C(=O)O 13536924 XTURYZYJYQRJDO-XMUDRSCZSA-N 367.555 4.728 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC(F)F)c(OC)c1 16778480 RCWLFPHLPZNJSG-ZDUSSCGKSA-N 367.417 4.508 0 40 FJAB COc1cccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 17073290 NEPLFEGJCZNEAH-NSHDSACASA-N 354.397 4.762 0 40 FJAB C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 17849373 NEBNHSGZYBDFOX-KRWDZBQOSA-N 367.452 4.830 0 40 FJAB Cc1[nH]c2c(C(=O)N[C@@H](c3ccccc3)c3ccncc3)cccc2c1C 19576936 UDNVNEJSBWDWFE-NRFANRHFSA-N 355.441 4.699 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1 20491849 KPJKFHHUYWUMGA-GOSISDBHSA-N 368.974 4.593 0 40 FJAB CCCOc1cccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)c1 21170913 WNFUIMFKTAFMHP-NRFANRHFSA-N 372.553 4.736 0 40 FJAB O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1cccs1 32623238 OWRKIWRVFRZMDP-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB CCCCCc1nnc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)s1 32786991 JIZWRPMPBLCWFL-UHFFFAOYSA-N 360.266 4.536 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1c2c(nc3ccccc13)CCC2 36783840 CMGWTLLDZNIREH-UHFFFAOYSA-N 366.848 4.946 0 40 FJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 40143069 JGWVHGOGWVGHQC-NXEZZACHSA-N 369.690 4.702 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1cccc(C)c1 44949443 QQWDCKGVZNSFPM-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 57304211 BKJATEQYZVJEHQ-MRXNPFEDSA-N 353.249 4.504 0 40 FJAB CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1OC(C)C 58210334 CHPJKWQOQNZWNV-UYAOXDASSA-N 367.493 4.867 0 40 FJAB C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccccc1-c1cccs1 67663456 DFVSDILIJACPPO-NSHDSACASA-N 358.385 4.504 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357741 HDPJOARQDYRNLD-QHCPKHFHSA-N 374.459 4.718 0 40 FJAB Clc1nccn2c(-c3ccc(OCCOc4ccccc4)cc3)cnc12 79012807 JQSBOSJZQOAHQZ-UHFFFAOYSA-N 365.820 4.508 0 40 FJAB O=C(C[C@H]1CCCc2ccccc21)Nc1ccccc1[C@@H](O)C(F)(F)F 95465507 QLRKWNMXPURBMC-AUUYWEPGSA-N 363.379 4.731 0 40 FJAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96037421 UZTAXUUBFSCGMJ-UHFFFAOYSA-N 351.494 4.805 0 40 FJAB CCNc1c(NC(=O)Nc2cccc(SC)c2)c(=O)oc2ccccc12 101093527 BCZDMWMYIRLHPR-UHFFFAOYSA-N 369.446 4.591 0 40 FJAB COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1c1cccc(Cl)c1 101390451 IZZFVTSNUBNSSI-RWTORFTKSA-N 374.893 4.529 0 40 FJAB C[C@H](NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1)c1ccccc1Cl 106524452 XOQSLUFXQRVGQG-LSDHHAIUSA-N 370.880 4.956 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 118692250 QAJMRVGJMJHWTH-UHFFFAOYSA-N 356.138 4.695 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c1 218968579 YCFDZONZCIWFMK-UHFFFAOYSA-N 369.505 4.527 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225335804 HKYHNDGHWXBEEV-INIZCTEOSA-N 371.352 4.697 0 40 FJAB CO[C@H](CNC(=O)Cc1cccc2ccccc12)c1ccc(Cl)s1 225702533 BIHWUIBJQHREGB-MRXNPFEDSA-N 359.878 4.601 0 40 FJAB CC(C)C[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C)n1cccc1 526052510 KSZNKMAJAHGKSK-PXNSSMCTSA-N 366.509 4.883 0 40 FJAB Cc1cc(Cl)ccc1Oc1ccc(F)cc1CNC[C@H](C)CN(C)C 1308419442 UJGMHPGUXMGSMM-AWEZNQCLSA-N 364.892 4.867 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)N[C@@H](c1cccs1)C1CCOCC1 1565523754 UTTWJXBRSDEANZ-MTCRFPMVSA-N 361.894 4.699 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)s1 1615158686 RZIVHTHSGOYZIA-OAQYLSRUSA-N 372.509 4.859 0 40 FJAB O=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)ccc1C(F)(F)F 994729 SHNOQFLUFXBDQR-UHFFFAOYSA-N 360.118 4.813 0 40 FJAB Cc1cccc2cc(-c3nc4ccccn4c3NC3CCCC3)c(=O)[nH]c12 1330085 TWCNABWZMYVMHK-UHFFFAOYSA-N 358.445 4.506 0 40 FJAB CSCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 1392095 CQTWYHRZMYRKEV-UHFFFAOYSA-N 351.258 4.556 0 40 FJAB CCOC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc(C)c1C 1959026 QNBJFABUBNUMFW-UHFFFAOYSA-N 363.504 4.581 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1962510 HJSBBNVFMZYEET-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB c1ccc2c(c1)CC1(CCCCC1)c1c-2ncn2nc(-c3ccncc3)nc12 2245471 MWLBFRVQDSCWHB-UHFFFAOYSA-N 367.456 4.611 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)c1 3893939 CGKUTWBKANBEHV-ZDUSSCGKSA-N 369.486 4.975 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)NCc1cccc(Cl)c1 5679534 VYPAJNRQTBPMMC-UHFFFAOYSA-N 351.833 4.702 0 40 FJAB O=C(COc1ccccc1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 6128542 XFPYLUGXSVZLLD-UHFFFAOYSA-N 365.473 4.656 0 40 FJAB Cc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 6426664 JKWWTOZSOILSSO-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB Clc1ccccc1OCCn1c(CN2CCCCC2)nc2ccccc21 6746008 DBCUFCZSWPHLKD-UHFFFAOYSA-N 369.896 4.755 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)c2ccccc2Br)cc1 6949777 HOQLUEVLMNLWMO-UHFFFAOYSA-N 361.283 4.543 0 40 FJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1n[nH]c2ccccc12 7989072 OESZDXNNDOHJCK-UHFFFAOYSA-N 365.820 4.749 0 40 FJAB CCOc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9062669 IIMXTLLRADKJBR-UHFFFAOYSA-N 372.896 4.589 0 40 FJAB O=C(Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1)c1ccccc1F 9422304 ACUWZNXEBRZWFG-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 12530970 LGLRACBARNKYLL-IAGOWNOFSA-N 373.460 4.643 0 40 FJAB Cc1ccc(NC(=S)/N=c2/sccn2Cc2ccccc2Cl)cc1 12550454 GFLCGXQUZFNPOG-DYTRJAOYSA-N 373.934 4.857 0 40 FJAB C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1 12796288 DEUTUFXDMXWINI-OAHLLOKOSA-N 350.441 4.984 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)nc1C 12977230 TWMMOPMHFZZJLG-UHFFFAOYSA-N 352.821 4.971 0 40 FJAB Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1C(C)C 13137307 GRVUIAAHWCEBHQ-UHFFFAOYSA-N 363.508 4.553 0 40 FJAB O=C(NCCSc1ccccc1)c1ccccc1OCc1ccccc1 13686970 BESYXWYJJCEYPC-UHFFFAOYSA-N 363.482 4.788 0 40 FJAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c3c(ccc12)OCN(C1CC1)C3 13728954 QNZDSWRQWFKGOC-UHFFFAOYSA-N 367.832 4.736 0 40 FJAB biogenic Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 15330571 NVGLSEBZWFCNDW-NSHDSACASA-N 368.658 4.817 0 40 FJAB O=C(NCc1nc2ccccc2s1)c1ccccc1Nc1ccccc1 24474114 QKTUMIKCVBAVMU-UHFFFAOYSA-N 359.454 4.970 0 40 FJAB CC(C)c1c(C(=O)Nc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 31810938 QGZTWUXPHRLRRA-UHFFFAOYSA-N 374.366 4.662 0 40 FJAB CC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 31918770 DBCSEYOFVUYBSW-UHFFFAOYSA-N 374.868 4.731 0 40 FJAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38834069 QLJFMYSSRIUWDN-LJQANCHMSA-N 362.448 4.830 0 40 FJAB CCOC(=O)CCCCCCC(=O)c1ccc(CN2CCCCC2)cc1 43210881 HYXYDIGTCGYUQT-UHFFFAOYSA-N 359.510 4.759 0 40 FJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccccc2)ccc1Cl 44900062 WEFYKVNPEKGNBX-GFCCVEGCSA-N 363.866 4.636 0 40 FJAB Cc1cc(C)n(-c2ccccc2NC(=O)NC2(c3ccccc3)CCC2)n1 58420612 RYNVNAPCWGPWGJ-UHFFFAOYSA-N 360.461 4.690 0 40 FJAB COc1ccc2c(c1)S[C@@H](CC(=O)Nc1cccc(SC)c1)C(O)=N2 61719390 SUODEQCOAMNPJO-INIZCTEOSA-N 374.487 4.508 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Cl)o2)cc1 63887799 MTLQONJTQUUSEB-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB CN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12 64692852 GMKYCINTNDHCMG-UHFFFAOYSA-N 360.388 4.906 0 40 FJAB O=C(OCc1ccccc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 65734634 VTDVMKXDAGMXQS-QFIPXVFZSA-N 357.453 4.594 0 40 FJAB in-vitro CCCCn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67259705 PPUHSQCPDPCGEA-UHFFFAOYSA-N 360.429 4.767 0 40 FJAB CCc1cccc(C)c1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 72294147 DRSVREICQLEHSX-LJQANCHMSA-N 365.521 4.686 0 40 FJAB COCc1c(C(=O)Nc2c(C)cc(C)nc2C)sc2cccc(F)c12 97040313 FOABKPOXFFHJIB-UHFFFAOYSA-N 358.438 4.759 0 40 FJAB CCOc1ccc(C2=NN(C(=O)CC)[C@H](c3ccc(CC)cc3)C2)cc1 97105877 AGXOQOIHUBFNLH-NRFANRHFSA-N 350.462 4.735 0 40 FJAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c(C)c1 107673271 XOLCQMMWOGKPMY-UHFFFAOYSA-N 358.290 4.576 0 40 FJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCc1nnc(-c2ccsc2)o1 195567916 KJAFSQJOLGEFLJ-BMFZPTHFSA-N 362.495 4.735 0 40 FJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223084933 YOKKZOMLSQGESY-UXHICEINSA-N 368.550 4.769 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219706 NJWHFQARKBPPQM-VLIAUNLRSA-N 357.881 4.864 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1Cl 224481148 BFXMJCCZQVTMDG-UHFFFAOYSA-N 373.880 4.944 0 40 FJAB C[C@H](CNC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 224556717 NAPCZEYADJAMEG-QGZVFWFLSA-N 372.468 4.500 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)c2ccccc2O1 225127593 DGEQPYDBFSYXOL-VQIMIIECSA-N 353.462 4.653 0 40 FJAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3ccccc3s2)c1 226284477 JWWHHSXQNKVKJT-UHFFFAOYSA-N 350.365 4.879 0 40 FJAB COC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257349604 PGQGNHJPSJHIQE-WEHSUDPFSA-N 374.521 4.670 0 40 FJAB O=C(Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12)c1ccco1 408976110 PDQXXTJVGJHECB-UHFFFAOYSA-N 361.313 4.588 0 40 FJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cc(-c2ccccc2)on1 618257136 RXNXIBXBWGHXSR-MRXNPFEDSA-N 364.426 4.558 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1Cl 1290059 ZUUMZVSNZBRCMV-VAWYXSNFSA-N 357.837 4.659 0 40 FJAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 2726531 KYQKHCQHIFKFSF-UHFFFAOYSA-N 363.866 4.622 0 40 FJAB O=C(CCSc1nc2cc(Cl)ccc2s1)NC1CCCCC1 2772609 VZPCLSCEKVUQBN-UHFFFAOYSA-N 354.928 4.881 0 40 FJAB COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccn2)cc1 3295722 RZDJHUIKBJAXCE-UHFFFAOYSA-N 374.469 4.630 0 40 FJAB Cc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 3415310 ZWYRGIHSVUVWLJ-UHFFFAOYSA-N 365.483 4.909 0 40 FJAB CSc1nc2ccc3nc(NC(=O)Cc4ccccc4)sc3c2s1 4134758 MJLJBQBVHHWGJQ-UHFFFAOYSA-N 371.512 4.809 0 40 FJAB Cc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(C)c3)s2)cc1 4358646 MJZJBFSWIKMGFJ-UHFFFAOYSA-N 350.487 4.708 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 4611089 HSRIUWKECCLWAL-NSHDSACASA-N 363.504 4.752 0 40 FJAB O=C(/C=C/c1cc(Br)cs1)Nc1nc2ccccc2s1 5214226 LMQMXNHKDWMMTA-AATRIKPKSA-N 365.277 4.772 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCSc2ccccc21 6086285 WRJGNHFKEMZBLG-INIZCTEOSA-N 350.443 4.617 0 40 FJAB Cc1ccc(C)c(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1 6099247 GXBRAWYAKRJEOD-UHFFFAOYSA-N 366.273 4.628 0 40 FJAB CC[C@H](NC(=O)/C=C/c1ccccc1OC)C12CC3CC(CC(C3)C1)C2 6489224 ORUIRSSHBZDBAW-NUSUGSAYSA-N 353.506 4.820 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C 6667891 YYYCPEKNQRANSZ-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3)C2)cc1 6736496 FUZMXNPMWCMPKC-JOCHJYFZSA-N 356.425 4.687 0 40 FJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2cccc(Cl)c2)o1 8191561 RSZNLABKCGGVBG-NSHDSACASA-N 374.849 4.762 0 40 FJAB CCOc1ccc(C(=O)/N=c2/sc3cc(Cl)ccc3n2CC)cc1 8659656 VHUFPFBDXDFOKR-CZIZESTLSA-N 360.866 4.516 0 40 FJAB CCOc1ccc(NC(=O)c2ccccc2SCc2cc(C)no2)cc1 8762331 AFPPZPCGEDCWEE-UHFFFAOYSA-N 368.458 4.926 0 40 FJAB CCCCNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854287 MECGBALBDMSBIE-UHFFFAOYSA-N 354.928 4.548 0 40 FJAB CCC(CC)C(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1 9095500 GFACPPLVXAAGNI-OAHLLOKOSA-N 350.462 4.653 0 40 FJAB S=C1NC2=C(CCc3ccccc32)[C@@H](c2ccc(Cl)cc2Cl)N1 9361008 GZFNZUHZHSSLBG-QGZVFWFLSA-N 361.297 4.870 0 40 FJAB CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 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O=C(Cc1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccccc1 48135829 LPBKUDBFUBYKRK-FQEVSTJZSA-N 362.498 4.640 0 40 FJAB Cc1ccc(N(C)C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)cc1 60352290 GTXXVNVAOCFMBI-UHFFFAOYSA-N 374.469 4.581 0 40 FJAB O=C(Nc1ccncc1)c1cccnc1Oc1ccc(Cl)cc1Cl 65581165 GDKZUNMFXBASGH-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB COc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 72348928 KKNMOCCHVIFDGZ-SFHVURJKSA-N 359.473 4.532 0 40 FJAB O=C(C1CCC1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357886 TUXSOUAKKGWXNB-FQEVSTJZSA-N 354.881 4.789 0 40 FJAB CO[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 78877239 OEWHZUBFYMAMPU-KRWDZBQOSA-N 372.877 4.581 0 40 FJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 85397240 MMCUTZCTUVRZAZ-KPKJPENVSA-N 361.235 4.604 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 216492451 BNNNMGRQZPEDDW-FQEVSTJZSA-N 365.517 4.860 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc1C 219513730 QVVDXKWBBAZSFX-IBGZPJMESA-N 369.505 4.607 0 40 FJAB Cc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1C 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CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225748209 PKORTMQLFPXBSG-KSSFIOAISA-N 361.869 4.692 0 40 FJAB CC(C)Oc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225867712 WOADSNSKQWQZTN-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB COC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Br)c1 226333098 JDGQDMXCPZRHHG-CSKARUKUSA-N 361.235 4.523 0 40 FJAB CC1([C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 245240072 OAWOATRDZLDNDV-TUGIDLRSSA-N 362.554 4.769 0 40 FJAB Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1C 408594034 DNVGUEZLFJBTAD-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccc(C)cc1 504491616 MRYHAXJYGJIWLN-QTJGBDASSA-N 365.517 4.872 0 40 FJAB biogenic O=C(NCc1ccccn1)c1cccc(NCc2ccc(C(F)F)cc2)c1 526972498 PALRSNZGBFIEMC-UHFFFAOYSA-N 367.399 4.561 0 40 FJAB C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@](O)(c2ccc(F)cc2)C1 1616691803 QRXVMMUPDDXBRU-XIKOKIGWSA-N 354.252 4.787 0 40 FJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)c(Cl)c1 810787 WLMISMKKHWNFDS-UHFFFAOYSA-N 371.223 4.746 0 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Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccccc2)c2ccccc2)c1 6065530 RGJVUZFDYCUIBG-OAQYLSRUSA-N 359.425 4.840 0 40 FJAB O=C(Cn1ccc2ccccc21)Nc1ccc(Br)c(Cl)c1 6270100 KCNZCNHZCGXNKY-UHFFFAOYSA-N 363.642 4.696 0 40 FJAB c1cncc(-c2nc(Sc3ccc4c(c3)OCCO4)c3ccccc3n2)c1 6507907 JEQKICNOGBWXAY-UHFFFAOYSA-N 373.437 4.614 0 40 FJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1C[C@H]1C 7002993 LPQWQAJYZJOQBS-PWSUYJOCSA-N 363.866 4.840 0 40 FJAB COc1ccccc1CSCc1cc(=O)oc2cc3c(cc12)CCC3 7780932 UBYQWVBERUHLET-UHFFFAOYSA-N 352.455 4.724 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccccc1SC[C@H]1CCCO1 8273490 MVPCODPEYQPFSA-OAHLLOKOSA-N 361.894 4.541 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 8498225 RZTHYHXCESUMPC-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(F)ccc1F 10551565 OQEVHLUVHQOGGI-UHFFFAOYSA-N 356.397 4.829 0 40 FJAB c1ccc([C@H]2c3ccsc3CCN2Cc2nc(-c3ccco3)no2)cc1 12765350 SXRICRAEUCOPCJ-IBGZPJMESA-N 363.442 4.539 0 40 FJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3Cl)c12 12888494 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0 40 FJAB Cc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5)c4ncn3n2)cc1 21801115 KOQGVKAMFDXGLC-UHFFFAOYSA-N 353.429 4.660 0 40 FJAB CCOC(=O)Nc1cccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 22473304 DNTONUTUYBGZIA-MRXNPFEDSA-N 370.449 4.586 0 40 FJAB CC(C)Cc1noc(CN2CCc3sccc3[C@H]2c2cccs2)n1 22532848 SAKYDQAEPPRHBE-SFHVURJKSA-N 359.520 4.539 0 40 FJAB CC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2Cl)c(F)c1 24004186 CYVCIADJWJSSLD-UHFFFAOYSA-N 355.793 4.552 0 40 FJAB Cc1[nH]c2c(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cccc2c1C 24691273 RFOYMCYFYSXLEM-UHFFFAOYSA-N 372.472 4.681 0 40 FJAB CC[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1 25213739 WRXSEVNXSQTRSS-HNNXBMFYSA-N 356.319 4.554 0 40 FJAB Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(Br)cc12 26461589 WXLVQCJVJCANSI-UHFFFAOYSA-N 350.599 4.662 0 40 FJAB biogenic CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(C)C 28699939 DXJYGIOOQJYICM-LDADJPATSA-N 364.445 4.666 0 40 FJAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)c1 39767236 FGFJZSKAZSDUDT-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB CCOc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 58167031 DBEJZLUDGBFZMF-UHFFFAOYSA-N 371.864 4.786 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)o2)cs1 58368967 YVEPGXDHEBXBKQ-CABCVRRESA-N 372.877 4.785 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)c[nH]1 58924636 JHOWIWMHLSDAGL-WBVHZDCISA-N 361.283 4.576 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 63887887 RBECBWKABSZBFG-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1C 78505518 FXBHCRAUUBZFFU-UHFFFAOYSA-N 374.431 4.697 0 40 FJAB c1ccc2c(c1)oc1c(NCCc3nc(-c4ccncc4)cs3)ncnc12 79106115 CHCYYUVDADCUCY-UHFFFAOYSA-N 373.441 4.549 0 40 FJAB Cc1ccc([C@H](C)NC(=O)N2CCC(Cc3cccc(F)c3)CC2)s1 84205269 NVYLDOKIYIHDOS-HNNXBMFYSA-N 360.498 4.921 0 40 FJAB O=C(c1ccccc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1 89827841 SZIBZMKLNYVIAR-NRFANRHFSA-N 366.424 4.554 0 40 FJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(SC(F)F)cc1)CC2=O 100860027 CNBGURNJHFODHY-QZTJIDSGSA-N 353.434 4.725 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)CCSCc1ccccc1 223782623 GXQHGNKTTGEIGY-UHFFFAOYSA-N 357.519 4.629 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCOc1ccccc1C(C)C 223791185 JSYGFLMCWMQQCL-UHFFFAOYSA-N 363.457 4.781 0 40 FJAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc12 224184188 BLTNJHAKGXOROJ-UHFFFAOYSA-N 355.390 4.667 0 40 FJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSc1ccccc1 225323205 QKYHULVRHFRQCI-UHFFFAOYSA-N 354.302 4.835 0 40 FJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OC)c(C)c1 225906686 QKKBTIQQSQXWNS-UHFFFAOYSA-N 350.503 4.595 0 40 FJAB COCCOc1cccc(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)c1 665771894 UURFSAUYNRKRIA-FQEVSTJZSA-N 368.477 4.698 0 40 FJAB Cc1c(Cl)ccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888913576 LROSVTBCQSEJEU-UHFFFAOYSA-N 374.897 4.903 0 40 FJAB Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)c(Cl)c1 756733 VPXJMHRYYSKQTH-UHFFFAOYSA-N 356.216 4.866 0 40 FJAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1 857467 OTQOHALNLRBTQT-IBGZPJMESA-N 360.457 4.582 0 40 FJAB Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccc2c(c1)OCO2 947316 DJNUCQPGRNWGBO-LJQANCHMSA-N 363.442 4.863 0 40 FJAB CC(=O)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1097913 UMRPKQBIDIAGRJ-UHFFFAOYSA-N 357.715 4.536 0 40 FJAB COc1ccc(-c2nnc3c4ccccc4c(-c4ccc(C)cc4)nn23)cc1 1425797 KJLQICHZRWLFCG-UHFFFAOYSA-N 366.424 4.929 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)c1 3280122 CLEYXKNULGZLOD-UHFFFAOYSA-N 357.866 4.808 0 40 FJAB Cc1csc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n1 3388597 IJDGBQKUYFHBBC-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB CCN(CC)c1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1 4550479 FEPNJZYWDLJCKR-UHFFFAOYSA-N 362.481 4.822 0 40 FJAB Sc1nnc(-c2ccc3ccccc3n2)n1-c1cccc2ccccc12 4623865 OJWFQDQAYWRBAH-UHFFFAOYSA-N 354.438 4.924 0 40 FJAB CCOc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2C)cc1 4859411 QPARXBZNHWXGMM-UHFFFAOYSA-N 354.431 4.959 0 40 FJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)/C=C/c1cccc(Cl)c1)CC2 5428651 RLNPBDQQLYEUHX-HSBSLETESA-N 371.864 4.516 0 40 FJAB CC(C)N(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 5505852 HGOFDMJUOMANMV-UHFFFAOYSA-N 366.244 4.592 0 40 FJAB O[C@@](CCN1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(F)cc1 6581989 KLSLQEPOLKVONQ-XWEVFREBSA-N 353.481 4.574 0 40 FJAB O=C(/C=C/c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6602665 OSALSSFWBCCFFH-GZKZCVOOSA-N 364.470 4.522 0 40 FJAB CCc1cccc(C)c1NC(=O)COc1ccc(Cl)c2cccnc12 7612290 CZEXBDBHARAPQG-UHFFFAOYSA-N 354.837 4.777 0 40 FJAB COCCn1c(C)cc(-c2csc(Nc3ccc(OC)cc3)n2)c1C 7843973 GZGDEGRHQZMLFI-UHFFFAOYSA-N 357.479 4.627 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)s1 8039391 OGRIOPWNPRPUBL-UHFFFAOYSA-N 369.515 4.549 0 40 FJAB CC(CNC(=O)Cc1c[nH]c2ccccc12)(c1ccccc1)c1ccccc1 8155967 UPGLJYPRQVIFJC-UHFFFAOYSA-N 368.480 4.833 0 40 FJAB Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 8391184 GQQKPZPRQDACND-QFIPXVFZSA-N 365.860 4.933 0 40 FJAB CCc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9063199 VWXXMLVDHXQHMH-UHFFFAOYSA-N 356.897 4.753 0 40 FJAB COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3)C[C@H]21 9489503 ROINBPDEQNYHDI-UTKZUKDTSA-N 362.454 4.999 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 12982247 JOVVCLVFLKNGKZ-LIRRHRJNSA-N 355.434 4.560 0 40 FJAB O=C(NC1CCCCCC1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13145907 LTZYIQPHDKJJTA-MQVJKMGUSA-N 353.597 4.828 0 40 FJAB Cc1scc(C(=O)N2CCN(c3ccccc3)CC2)c1-c1ccccc1 13745691 CYJQWWHAMNDHKD-UHFFFAOYSA-N 362.498 4.686 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2F)c1C 19558005 NYAVCEZXUOUHNO-SFHVURJKSA-N 354.429 4.548 0 40 FJAB O=C(CCC(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1 20863531 HRPZYYSVZDFAQU-UHFFFAOYSA-N 351.427 4.516 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCc2ccccc21 22515862 VJOZYILYLDJOHQ-IERDGZPVSA-N 351.490 4.945 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N1CCN([C@H](C)c2ccc(F)cc2)CC1 26890500 WZOIVTZDSVWRNJ-CVEARBPZSA-N 369.509 4.875 0 40 FJAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1)c1cccc(F)c1 32095642 TVPIZLMNNAVUKA-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Cc1ccc(C)c(Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c1 32616348 ZMUDVCCIKNGXEZ-UHFFFAOYSA-N 367.499 4.555 0 40 FJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)c3ccccc3)c12 40130803 UOBMEUVRTPUHQZ-UHFFFAOYSA-N 364.493 4.895 0 40 FJAB Cc1cccc2c(C(=O)N[C@@H]3CCOc4ccccc43)cc(C3CC3)nc12 40145135 SFGHUDKDMHMKFN-LJQANCHMSA-N 358.441 4.674 0 40 FJAB CC(C)(C)c1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)no1 40154496 YSNOLPHBKLRDKS-UHFFFAOYSA-N 374.872 4.541 0 40 FJAB Cc1ccc(C)c(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004555 WHZKAKYLLOCKMC-UHFFFAOYSA-N 360.461 4.535 0 40 FJAB Clc1ccc(-c2nn3c(-c4ccsc4)nnc3s2)cc1Cl 66088296 LWQNJBIWVAQOIB-UHFFFAOYSA-N 353.259 4.888 0 40 FJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccn(-c2cccc(F)c2)n1 70008949 ADWBENNCYSUGBA-UHFFFAOYSA-N 357.388 4.516 0 40 FJAB COc1cc(NC(=S)Nc2cc(F)ccc2C)c(OC)cc1Cl 71761610 SFZUPYLGEGHWJM-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(N(CC)CC)nc1 71844377 KCKPDLAKDRADHN-LEWJYISDSA-N 365.521 4.726 0 40 FJAB O=C(O)C1=NN(c2ccc(Oc3ccccc3)cc2)[C@@H](c2ccccc2)C1 71979122 UWOKOEMYGMPTBX-OAQYLSRUSA-N 358.397 4.871 0 40 FJAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1N 72229315 NCXHFIUZFMRFIL-GFCCVEGCSA-N 361.848 4.692 0 40 FJAB CC(C)(NC(=O)Nc1cccc(COCCOc2ccccc2)c1)C1CC1 72313587 SNRGHBMWCHODSQ-UHFFFAOYSA-N 368.477 4.592 0 40 FJAB Clc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72358582 JTBQRKKTDAUNPS-SFHVURJKSA-N 364.880 4.572 0 40 FJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@H]1c1cccnc1 84374376 VCTPVQPIYOPXOL-DLBZAZTESA-N 356.516 4.693 0 40 FJAB COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4ncccc4c3)ccc21 97547313 YHIPQYSGYPTADS-UHFFFAOYSA-N 373.456 4.705 0 40 FJAB C/C(=C\c1ccccc1)CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100763441 DGUDXKJGXWCLQR-QPTKYGNQSA-N 351.465 4.744 0 40 FJAB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1Cl 223383417 OQHGQFJFWQWULP-INIZCTEOSA-N 359.853 4.689 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1C(C)(C)C 224165770 UNMGRBFJINEZBW-UHFFFAOYSA-N 369.505 4.958 0 40 FJAB COc1ccccc1NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225262311 VQAJSHOKAMIGJU-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB O=C(NC1CCCCC1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265040 HDPZJWVQIKFLCZ-UHFFFAOYSA-N 353.853 4.946 0 40 FJAB Fc1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225612210 SZMOGXQHSNAVGK-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB CCO[C@]1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC[C@H](C)C1 225831121 NLXIQFPMGMFULV-YVEFUNNKSA-N 359.388 4.638 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl 226349846 VITVJBFFXUPVKK-UHFFFAOYSA-N 359.640 4.798 0 40 FJAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 257259930 LARSFAQXRPZVNA-TXTKFYIRSA-N 371.569 4.577 0 40 FJAB CCOc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C 875710 MHDPIEJEUITPMS-UHFFFAOYSA-N 366.486 4.981 0 40 FJAB C[C@H]1C[C@H](C)CN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)C1 1340906 HUHAKBFEAWVKHH-GJZGRUSLSA-N 364.468 4.506 0 40 FJAB Clc1cccc(-c2cc3nc4c(c(N5CCCCC5)n3n2)CCCC4)c1 1341681 YCSIJSVVNIBDQV-UHFFFAOYSA-N 366.896 4.919 0 40 FJAB C[C@@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 1437115 NFAFGZCSZZBINO-FDDCHVKYSA-N 356.469 4.927 0 40 FJAB O=c1c2ccccc2nc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 2196301 VSFAFEMCIZMRRN-UHFFFAOYSA-N 356.303 4.665 0 40 FJAB Cc1cccc(C)c1N(C(=O)[C@H]1CCCO1)c1nc2ccccc2s1 2639345 PKRIQNQTUMNDBP-MRXNPFEDSA-N 352.459 4.757 0 40 FJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)c1 2723095 YAUNRQPKNIJGPB-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 2951250 WJLXVLAFKQITDL-QOCHGBHMSA-N 361.426 4.682 0 40 FJAB CCOC(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2CC)cc1 4567560 SCHMUOUFHWXJCL-MRCUWXFGSA-N 352.459 4.646 0 40 FJAB COc1cccc(CNCc2cccs2)c1OCc1ccccc1F 5019727 AZVFKZAFRWYRFB-UHFFFAOYSA-N 357.450 4.765 0 40 FJAB c1ccc(-c2ncc(CSc3nncn3-c3ccccc3)s2)cc1 5934035 LCTDOMJBWSMMAK-UHFFFAOYSA-N 350.472 4.683 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1 6263874 LAXYZDRRVWAAJW-UHFFFAOYSA-N 351.233 4.984 0 40 FJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1 6339673 IGJJUKKHOIAHIX-UHFFFAOYSA-N 361.879 4.736 0 40 FJAB COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)C(C)C 6357771 YETBTGTZUREGFZ-UHFFFAOYSA-N 362.429 4.695 0 40 FJAB COc1cccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)c1 6450465 MIHDFUBLOSCIQQ-UHFFFAOYSA-N 367.455 4.681 0 40 FJAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1C1CC1 7112901 UKBVMURWBVYBJJ-OAQYLSRUSA-N 361.445 4.800 0 40 FJAB COc1ccc(-c2nnc(Nc3nc4ccc(SC)cc4s3)o2)cc1 7447929 ZJZOOXIPOJLTHL-UHFFFAOYSA-N 370.459 4.820 0 40 FJAB Cc1cccn2cc(CSc3nnc(-c4cccc(Cl)c4)o3)nc12 8424664 YQRXQCHJVIPWML-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB COc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 10149023 UJOXVSXTYGJSEK-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB Cc1ccc(OCC(=O)N(c2ccccc2)C(C)C)c2c1[C@H](C)CC2=O 11052210 GGERVBIUJNWPHA-MRXNPFEDSA-N 351.446 4.505 0 40 FJAB COc1cccc(CNc2ncc(-c3ccccn3)c(-c3ccoc3C)n2)c1 12222861 PLKHTNUFWZVSJJ-UHFFFAOYSA-N 372.428 4.728 0 40 FJAB COc1ccc(Cl)cc1-c1nn2c(-c3sccc3C)nnc2s1 12409868 TYXRLONUNFPFEG-UHFFFAOYSA-N 362.867 4.552 0 40 FJAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1c(Cl)cccc1Cl 12858554 VGXPIMOCRIYSJL-ZDUSSCGKSA-N 374.314 4.509 0 40 FJAB COC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 12943830 OWNWOTGDIUENTE-UHFFFAOYSA-N 373.455 4.672 0 40 FJAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccccc2)c2cnn(C(C)C)c2n1 12979229 IIQRKYNTDNZSLN-HNNXBMFYSA-N 350.466 4.627 0 40 FJAB Cc1cccc(CSCCNC(=O)CCSCc2ccccc2)c1 13688015 MYRWSKAOEKRVHJ-UHFFFAOYSA-N 359.560 4.668 0 40 FJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)cc1 13786936 WGYUNJBUDLXZGQ-YMPZKCBVSA-N 369.480 4.703 0 40 FJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)c(F)c1 22245629 TWZFOMBACQYFJR-UHFFFAOYSA-N 359.401 4.750 0 40 FJAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 30851494 HIWHKHPTUQTATJ-UHFFFAOYSA-N 367.452 4.778 0 40 FJAB O=C(CCCc1ncc(-c2ccccc2)o1)N[C@@H](c1ccccc1)C1CC1 31714599 STWJZKBEWBOCGQ-QHCPKHFHSA-N 360.457 4.932 0 40 FJAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCCc2ccccc21 44900048 JVTLFOAPJKVFBM-UHFFFAOYSA-N 365.454 4.620 0 40 FJAB CC(C)COC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 55909637 HZRCJXRRJSKIPA-UHFFFAOYSA-N 358.309 4.590 0 40 FJAB CO[C@H](CNC(=O)Cc1cccc2ccccc12)c1ccccc1Cl 206850807 RIXPPYXMJSWOFL-HXUWFJFHSA-N 353.849 4.540 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219298114 UXVRNDGUSPWUOO-LPHOPBHVSA-N 367.489 4.996 0 40 FJAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 223198616 ILKINDZJHZHLBT-UHFFFAOYSA-N 357.759 4.857 0 40 FJAB CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 223579752 RCANZWOAYJQFCT-NRFANRHFSA-N 351.490 4.638 0 40 FJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(N2CCCCC2)cc1 223608922 KRBISHWQPZXVPZ-UHFFFAOYSA-N 374.484 4.639 0 40 FJAB Cc1ccc(CNC(=S)Nc2ccc(Sc3ccccc3)nc2)o1 223907563 TZNHZKWYGPIQAY-UHFFFAOYSA-N 355.488 4.621 0 40 FJAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1 224085886 WLZZMSJQKLNZJV-UHFFFAOYSA-N 351.377 4.666 0 40 FJAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1c(Cl)cccc1Cl 224213142 UAWXZLFMYLHDLT-GFCCVEGCSA-N 352.327 4.629 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2c3c(cccc13)CC2 224615054 FZGRDOANMFLBBX-LJQANCHMSA-N 361.441 4.743 0 40 FJAB COc1cc(C)c(C(=O)NCc2ccc(OC(C)C)cc2)cc1C(C)C 225662727 RIPCQIXMOXWCFH-UHFFFAOYSA-N 355.478 4.844 0 40 FJAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cn1 225884841 DLEPKQLAQDSJHW-UHFFFAOYSA-N 350.503 4.676 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1cc(C(=O)O)c(Cl)cc1Cl 226321659 UJXMHIZVRBGDGK-UHFFFAOYSA-N 359.596 4.989 0 40 FJAB O=C(COc1cccc(CNc2ccccc2Cl)c1)Nc1ccccc1 409259474 ZUTKIOWXSGYPLN-UHFFFAOYSA-N 366.848 4.970 0 40 FJAB Cc1sc(C(=O)O)cc1CN1CCC[C@H](c2nc(C(C)C)cs2)C1 568064605 JOTQIRODUPZFHP-ZDUSSCGKSA-N 364.536 4.714 0 40 FJAB CSc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978501 SMGFWXFWAOEDTO-KRWDZBQOSA-N 369.511 4.600 0 40 FJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 1255802 ZMJHSXCFOLHEQD-UHFFFAOYSA-N 364.367 4.567 0 40 FJAB O=S1(=O)C=C(SCc2ccc(Cl)cc2Cl)Nc2ccccc21 1406169 JWBYOBVTHBHQST-UHFFFAOYSA-N 372.298 4.925 0 40 FJAB COc1cccc2c1[C@@]1(O)[C@H]2CCCCCCCCCC12OCCCO2 1634665 LDXHOTCDKPRQCD-AVRDEDQJSA-N 360.494 4.638 0 40 FJAB CC1(C)c2ccccc2[C@@](C)(Br)C(C)(C)S(=O)(=O)C1(C)C 1653742 UYCNDBNDSPBXFO-QGZVFWFLSA-N 373.356 4.560 0 40 FJAB CC(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 2652441 OFEFDDROLHAJHX-UHFFFAOYSA-N 372.218 4.959 0 40 FJAB Cc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 5100821 YLYRRYIYMMRPPM-UHFFFAOYSA-N 351.431 4.780 0 40 FJAB COc1ccc(OCCSc2nnc(-c3cccs3)n2C2CC2)cc1 5359347 PBPWVVSJZGQGAS-UHFFFAOYSA-N 373.503 4.521 0 40 FJAB COc1ccc(N[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 5934853 BLSXZCKENYVCMV-JOCHJYFZSA-N 374.440 4.690 0 40 FJAB c1csc([C@H]2c3ccsc3CCN2Cc2cn3ccccc3n2)c1 7000673 CABSHKJDZYPSQA-LJQANCHMSA-N 351.500 4.605 0 40 FJAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 8002715 YHHZMJJFUPUTOW-SFHVURJKSA-N 350.384 4.631 0 40 FJAB CSc1nsc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 9146295 ZQYAMNSUVHAPAB-HNNXBMFYSA-N 358.513 4.976 0 40 FJAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 9475393 QCVOLSMDSMXCKU-UHFFFAOYSA-N 374.937 4.561 0 40 FJAB Fc1ccccc1NC(=S)N1CC=C(c2c[nH]c3ccccc23)CC1 11084666 RXNXSNTWPDNQOO-UHFFFAOYSA-N 351.450 4.793 0 40 FJAB Cc1c(C(=O)NCCc2nc3ccccc3[nH]2)oc2c1ccc1ccccc12 12627342 ISYSHOWBBBZHBP-UHFFFAOYSA-N 369.424 4.743 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 12879674 QYNKKIUCSIPIGY-UHFFFAOYSA-N 371.396 4.587 0 40 FJAB Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)C[C@@H](c1cccs1)C3 18197744 CERXNSGHLLVNAA-AWEZNQCLSA-N 359.454 4.703 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20141334 UMAPANUEYBCXCN-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 20897348 ZUWRHXXRXZHLHE-AWEZNQCLSA-N 358.507 4.717 0 40 FJAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)c(C)c2c1 21659779 CQUPJRJUMNJPBD-GOSISDBHSA-N 366.461 4.518 0 40 FJAB O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 21840283 HQMRYVBPEBBNJR-NRFANRHFSA-N 351.833 4.625 0 40 FJAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 22411459 YYZNOPSAYUFNSY-UHFFFAOYSA-N 363.461 4.994 0 40 FJAB COc1cc(OC)c(NC(=O)c2cc3ccc(F)cc3s2)cc1Cl 26562080 KPKSDAKEBLMDEQ-UHFFFAOYSA-N 365.813 4.963 0 40 FJAB CNc1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)s1 32328862 XSBOVEONJFBRRI-UHFFFAOYSA-N 368.940 4.573 0 40 FJAB CCCCCc1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 32611285 JLQKBESVKCSLCD-UHFFFAOYSA-N 361.511 4.720 0 40 FJAB O=C(Oc1cc(Cl)ccc1Cl)c1ccc(NC(=O)C2CC2)cc1 32988005 JYVKPOMPRKTMKW-UHFFFAOYSA-N 350.201 4.561 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(SC)cc2)cc1 36358593 ADMGYOGYFKTPEF-QGZVFWFLSA-N 365.458 4.726 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39752480 CVONXFXCGPLGDD-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2c(O)ccc(C)c2C)cc1 57339438 GCVHKWOBVVHVRS-JOCHJYFZSA-N 371.436 4.902 0 40 FJAB COc1ccc(CSCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 59503557 NFRHLFXFUXDGJG-UHFFFAOYSA-N 355.381 4.586 0 40 FJAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1Nc1ccccc1 72214178 CVJWPZCYCZETKG-UHFFFAOYSA-N 369.465 4.703 0 40 FJAB O=C(CCn1ccc2c(Cl)cccc21)NCCc1c[nH]c2ccccc12 72325524 GWWHEZVOICALJV-UHFFFAOYSA-N 365.864 4.525 0 40 FJAB biogenic O=C(c1ccc(Cl)cc1F)N1CCCC[C@@H]1c1nc2ccccc2o1 79111219 VNFRCAJARQRGLW-MRXNPFEDSA-N 358.800 4.988 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cc(C)cc(C)c2)C(=S)N1 101170033 MBHQAUMFTMMZFO-NQIIRXRSSA-N 352.503 4.800 0 40 FJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222623028 MUZGMHLPAWLDQG-ZLGUVYLKSA-N 374.513 4.770 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(C)C 223894622 ZQIYXCUCWBOVTG-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB CCN(CC)C(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224280439 ZNCPMFXCHMIOHE-UHFFFAOYSA-N 355.478 4.681 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225291154 IIJWOWVZVMVJPF-LJQANCHMSA-N 361.489 4.656 0 40 FJAB COc1cc(CNC(=S)Nc2ccc(C)c(C)c2)ccc1OC(C)C 225530158 RWWYYHGIPJQPOF-UHFFFAOYSA-N 358.507 4.586 0 40 FJAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 225573517 SIYAYRKOGVMJEC-UHFFFAOYSA-N 371.452 4.547 0 40 FJAB Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225574395 KCXFZFSSTCKNNY-UHFFFAOYSA-N 360.860 4.638 0 40 FJAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(F)c(C)c2)c2ccccc2)cc1 225605513 QIXOZJPOSAKXJU-OAQYLSRUSA-N 369.461 4.510 0 40 FJAB Cc1cccnc1NC(=S)NCCCSCc1ccc(Cl)cc1 225610848 XWPWDTVORBEDGO-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225637989 WNMJZNPLCZEDDB-INIZCTEOSA-N 358.507 4.536 0 40 FJAB C[C@@H](O)c1ccc(C2(CNC(=O)/C=C/c3cccs3)CCCC2)s1 225680877 BYSFKTGIICAACL-VIIAAUOXSA-N 361.532 4.504 0 40 FJAB Cc1nc(N2CCCC[C@H]2C)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 245229472 YRYNZQVFEZLRBH-URWYZWATSA-N 361.489 4.622 0 40 FJAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 408725974 OHQDARXZSURSKY-NBVRZTHBSA-N 360.523 4.891 0 40 FJAB c1ccc(CN2CCC(c3cccc(Nc4nccs4)n3)CC2)cc1 585262700 UQRTWNRMHXIHGZ-UHFFFAOYSA-N 350.491 4.661 0 40 FJAB Cc1sc(CCNC(=O)c2cccc(F)c2C)nc1-c1ccccc1 1586542781 CEUNBFXDYRGFAQ-UHFFFAOYSA-N 354.450 4.539 0 40 FJAB Clc1ccc2c(c1)[C@@H]1OCCC[C@H]1C1(CCN(C3CCCC3)CC1)O2 1615154871 JDLXTQXGJONPQV-QUCCMNQESA-N 361.913 4.977 0 40 FJAB COc1ccc2c(CC(=O)Nc3ccc4nc(C)sc4c3)coc2c1 2618127 UAKURJDUHLKHLY-UHFFFAOYSA-N 352.415 4.541 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3OC)ccc21 2656975 WBOSXSNXBNIAIT-UHFFFAOYSA-N 374.440 4.841 0 40 FJAB CCSc1nnc2c(n1)O[C@@H](c1sccc1C)Nc1ccccc1-2 2740425 WVUYFCDMUCNJNI-INIZCTEOSA-N 356.476 4.524 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)c1cc2ccccc2o1 3515762 ALLKIICEVUGFPH-UHFFFAOYSA-N 363.196 4.708 0 40 FJAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 4898128 POLIIAABYWYIOD-JXFKEZNVSA-N 354.475 4.577 0 40 FJAB CCCC[C@@H](CC)C(=O)OCCOCCOC(=O)[C@H](CC)CCCC 5821731 GWQRPOCMBMQBTK-QZTJIDSGSA-N 358.519 4.522 0 40 FJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(F)cc2)cc1C 8412688 KPEWSLNXBIUDRS-UHFFFAOYSA-N 356.466 4.625 0 40 FJAB CC(C)[C@H]1C[C@@](CCNCc2ccccn2)(Cc2ccccc2)CCO1 8993026 BZGWPDMFUVTYRS-DHIUTWEWSA-N 352.522 4.625 0 40 FJAB COc1ccc([C@H](c2ccccc2)N(C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 9576656 AGRRJFCBCJZJFS-IRLDBZIGSA-N 367.489 4.591 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)c1cnn(-c2ccccc2)c1C(F)(F)F 10961232 QGNGDWKHRXWGEO-UHFFFAOYSA-N 371.362 4.632 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc2ccc(F)cc2s1 12261555 HPZWUYATXOMOGB-UHFFFAOYSA-N 367.405 4.662 0 40 FJAB Clc1cccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)c1 12623004 KSBGIVYDYVKHKW-UHFFFAOYSA-N 370.821 4.732 0 40 FJAB Cc1ccc([C@@H](NC(=O)CSc2nc(C)cs2)c2cccs2)cc1 12789332 KEIDHEXVNIAICC-QGZVFWFLSA-N 374.556 4.819 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(C)c2C)cc1 12886783 RNMKXYGHAAAPRZ-QFIPXVFZSA-N 366.505 4.868 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(C)c3)s2)cc1 12999652 MKHGONJXNKYFEJ-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC 14764634 JLJAVUZBHSLLJL-WJWAULOUSA-N 372.461 4.806 0 40 FJAB biogenic,in-vitro CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 15424827 ABVLZKBCMNIORP-GOSISDBHSA-N 365.477 4.693 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2F)c1C 19558008 NYAVCEZXUOUHNO-GOSISDBHSA-N 354.429 4.548 0 40 FJAB Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccccc2)n[nH]1 19743205 WUMMXRZWFPLKDK-OAQYLSRUSA-N 365.452 4.507 0 40 FJAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc2)cc1 22514169 POKJTPTUNUXKLP-AUSIDOKSSA-N 359.469 4.977 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1c(F)cccc1Cl 24988161 PGKQGRIHNRFLDC-UHFFFAOYSA-N 374.824 4.790 0 40 FJAB Cc1cccc(Nc2nc(Nc3cc(C)ccc3C)c3cnn(C)c3n2)c1 27666431 ODYJZCKJESVQFV-UHFFFAOYSA-N 358.449 4.776 0 40 FJAB CC(=O)c1ccc(OCc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)cc1 28230983 ASXJGUYWEOVIKW-OAHLLOKOSA-N 363.413 4.552 0 40 FJAB Cc1ccccc1Cn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1C 28231022 VUVWDIAYOSEWKL-SFTDATJTSA-N 359.473 4.599 0 40 FJAB COc1ccc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c(OC)c1 35681744 JQHBBZUOZFHBJX-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB O=C(NCc1cc(-c2cccs2)on1)C1(c2cccs2)CCCC1 38753983 VJSUEZMGDCHFAX-UHFFFAOYSA-N 358.488 4.593 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2ccc(F)c(F)c2)C1 40283368 KSEVIIDPRIDDDH-ZDUSSCGKSA-N 361.298 4.552 0 40 FJAB CC1=C[C@]2(Nc3ccc(C)c(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545381 ZJOHDZRMEVCXBU-JOCHJYFZSA-N 359.429 4.751 0 40 FJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H](C)c1ccccc1 71809761 LROWPSAYMPNSMR-AWEZNQCLSA-N 355.432 4.661 0 40 FJAB CCc1c(NCc2cccc(OCc3ccccn3)c2)cnn1CC(C)C 95445318 WZXUXCMFTDBALR-UHFFFAOYSA-N 364.493 4.688 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C 177284189 LUWZPMGGBRXRJE-UWJYYQICSA-N 374.488 4.899 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2cccc(F)c2)nc1 222623103 YUTYPCXDVJSKIV-UHFFFAOYSA-N 361.298 4.554 0 40 FJAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(OC)c(C)c2)c2ccccc2O1 222793597 DDTXDKZBSCVBQO-IBGZPJMESA-N 367.489 4.745 0 40 FJAB CCCOCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 224414380 ZXCQNLMMHCIQGV-UHFFFAOYSA-N 351.805 4.667 0 40 FJAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(-c2ccccc2)cc1 224592286 POJQUCHUJPFIQL-UHFFFAOYSA-N 370.496 4.879 0 40 FJAB CCCCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OCC 224724532 XNAHPEMYTJYOIU-KRWDZBQOSA-N 355.478 4.893 0 40 FJAB CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 225503057 FBACHQCGEPRYHI-UHFFFAOYSA-N 353.846 4.750 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccccc1Cl 225672802 LRGFLARYWOCANQ-INIZCTEOSA-N 371.908 4.735 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c2cccnc12 225913631 DECTVYYJGZTADZ-JOCHJYFZSA-N 370.493 4.948 0 40 FJAB O=C(NCc1cncc(-c2ccco2)c1)C1(c2cccs2)CCCC1 575617490 DAKXSSKDQYIHFO-UHFFFAOYSA-N 352.459 4.531 0 40 FJAB Cc1ccc(-c2c(C)sc3nc(-c4nc(C)c(C)[nH]4)nc(O)c23)cc1 1775997440 IFHFVDXXJCHMGS-UHFFFAOYSA-N 350.447 4.688 0 40 FJAB COc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@H]21 934702 HELIMKIEVZVBAQ-CXJKMVGQSA-N 352.434 4.738 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC[C@@H](C)C2 995629 XYOZVZZWTBCKJP-GFCCVEGCSA-N 371.502 4.919 0 40 FJAB CC1(C)C(C(=O)Nc2ccccc2NC(=O)C2C(C)(C)C2(C)C)C1(C)C 1095777 AIHUTNXEGAHVSY-UHFFFAOYSA-N 356.510 4.928 0 40 FJAB COc1ccc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1OC 1648769 PHAYCARGQPYORP-UHFFFAOYSA-N 351.185 4.784 0 40 FJAB CCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 3108670 GDYAMWIJKZIERX-UHFFFAOYSA-N 356.219 4.841 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCC[C@H]3C)cc12 3256377 AYENZBQNXFOQGQ-PXAZEXFGSA-N 371.481 4.843 0 40 FJAB CCc1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 3459342 PVVLTPWWNBVJGY-UHFFFAOYSA-N 361.264 4.874 0 40 FJAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccncc1 5756658 MYHFQNIAYRCEIE-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB O=c1nc(C(F)(F)F)c(/C=C/c2ccc(-c3cccc(Cl)c3)o2)c[nH]1 6445323 NDDLYSPDKRATJH-SNAWJCMRSA-N 366.726 4.873 0 40 FJAB COc1ccc(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)cc1 6589946 OQQJADLZZMIWIO-AWEZNQCLSA-N 352.459 4.951 0 40 FJAB Cc1cc(C2=NN=C(Nc3ccccc3)SC2)c(C)n1Cc1ccco1 6830404 ANQXXLAHJNLSDX-UHFFFAOYSA-N 364.474 4.665 0 40 FJAB Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)c1 6945663 STKWAQAWRLYCNU-JOCHJYFZSA-N 372.468 4.803 0 40 FJAB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 6962836 CHHLXWQFMBTNCS-MDZRGWNJSA-N 364.401 4.736 0 40 FJAB COc1cc(NC(=O)[C@H](C)SCc2ccc(Cl)cc2)cc(OC)c1 7062764 MQEXAKLIULERPS-LBPRGKRZSA-N 365.882 4.618 0 40 FJAB O=C(COc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 7125468 OESZRCJIJQUJRB-UHFFFAOYSA-N 365.816 4.854 0 40 FJAB COc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OCc1ccccc1 8034270 JYDUMLBVYVIEQV-UHFFFAOYSA-N 369.367 4.805 0 40 FJAB COCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 8342607 AFILKANNINYRAV-UHFFFAOYSA-N 370.865 4.765 0 40 FJAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnc(C)cn2)cc1 8391486 NSRBTMMXRPFTAL-UHFFFAOYSA-N 353.809 4.791 0 40 FJAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)c1 9275079 WOXYHNOVGKWRLS-UHFFFAOYSA-N 362.216 4.913 0 40 FJAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)(C)C)c1 9463783 PCTWANBYMVQXAR-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCCc2ccccc21 10964382 MDXBHMOLQHAJBB-CYBMUJFWSA-N 354.500 4.756 0 40 FJAB Cc1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c1C 12870096 NHDNYDOMNWALBX-OAQYLSRUSA-N 368.477 4.822 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)cc(Cl)c1)O[C@@H](C)C2 12975614 LCOYAFZJOVHQQK-JTQLQIEISA-N 366.244 4.968 0 40 FJAB Cc1ccccc1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 12980283 CMEPPFYVHZTKHC-UHFFFAOYSA-N 359.429 4.820 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)cc1 12986712 KXMPBEGJEPWIJP-KZXWLCRSSA-N 366.461 4.537 0 40 FJAB CC(=O)c1ccc(NC(=S)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 13684974 LBGKJBUIWBSGDT-HNNXBMFYSA-N 352.503 4.887 0 40 FJAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OC(C)C 14011414 FRVMGDHDHIBKQO-LDADJPATSA-N 369.442 4.723 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(C)cc3C)ccc21 16811309 DHXWDGNHQVUQOZ-OAHLLOKOSA-N 353.487 4.576 0 40 FJAB CCC/C(C(=O)OCC)=C(\C)NN(Cc1ccccc1)c1ccccc1 20064345 SGXGTCMEXCHLRN-UZYVYHOESA-N 352.478 4.835 0 40 FJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(F)(F)F)cc1)NCC2 20506981 YJILLLFCIYGBTA-LJQANCHMSA-N 365.395 4.738 0 40 FJAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(F)cc3)c2Cl)cc1 22024902 TZOOZSRGNCTIKW-UHFFFAOYSA-N 357.816 4.593 0 40 FJAB Cc1ccsc1/C=C/C(=O)N(Cc1c(C)noc1C)c1ccccc1 22135178 MDTFAVYJXSGNNF-MDZDMXLPSA-N 352.459 4.908 0 40 FJAB COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 22993779 NCCKRYPVDIBSNC-UHFFFAOYSA-N 357.881 4.819 0 40 FJAB O=C(c1ccc2ccccc2n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 23229284 RICIJJWPFIZALY-UHFFFAOYSA-N 374.440 4.549 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)o1 23307121 GYGHPCUOJRXBDL-CYBMUJFWSA-N 358.825 4.706 0 40 FJAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)Nc1ccc(F)cc1F 27922346 GSEZFZLGJSNEPD-UHFFFAOYSA-N 374.366 4.610 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(C(C)C)cc1 27925999 FPVZWSTZBRVYDI-UHFFFAOYSA-N 362.477 4.934 0 40 FJAB CCCc1sc(C(=O)Nc2ccccc2N2CCCC2=O)cc1CC 28745652 ZXNZQJACMCKXDQ-UHFFFAOYSA-N 356.491 4.642 0 40 FJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCC(C)C)c(C)c3cc12 30819176 IBQUTGQRULCUHI-UHFFFAOYSA-N 369.461 4.559 0 40 FJAB CCN(Cc1cccc(F)c1)C(=O)c1ccccc1C(=O)c1cccs1 32722632 FUJUREDBFGZRLG-UHFFFAOYSA-N 367.445 4.781 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)cc1 40139335 OKXIBQFLKIPFOD-SFHVURJKSA-N 355.869 4.572 0 40 FJAB Cc1cccnc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 40143979 TVJYHYNHGMIVRY-UHFFFAOYSA-N 365.481 4.574 0 40 FJAB O=C(Nc1cccc(-c2cnco2)c1)c1csc(-c2ccsc2)n1 48205152 ZTSTXNOUDHLYGC-UHFFFAOYSA-N 353.428 4.779 0 40 FJAB Cc1sc2nc([C@H](C)N3CCC[C@@H]3c3ccsc3)[nH]c(=O)c2c1C 48375156 SFQSUEAQEVWPDA-SMDDNHRTSA-N 359.520 4.561 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 56386628 PHERTUOYMINDOO-KBPBESRZSA-N 373.884 4.762 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 68776682 SOQFMHXIAYAJEC-AUUYWEPGSA-N 356.466 4.568 0 40 FJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccccc2Br)S1 71286804 WQAZINDHKAQKSG-ZDUSSCGKSA-N 366.284 4.818 0 40 FJAB CCn1ccc2ccc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)cc21 72292964 UPTSBWAFLKENBC-UHFFFAOYSA-N 358.445 4.716 0 40 FJAB Fc1ccccc1OCc1nnc(SCc2ccccc2Cl)o1 75342171 VHOPMTBIJQVJHX-UHFFFAOYSA-N 350.802 4.733 0 40 FJAB CC(=O)c1ccc(O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1 78876219 IPTNASGYVVUMNP-ZDUSSCGKSA-N 356.809 4.656 0 40 FJAB O=C(NC1CCCCCCC1)N1CCC[C@H](c2nc3ccccc3o2)C1 84600309 YJYWCIJDQJYTJX-INIZCTEOSA-N 355.482 4.830 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C[C@@H](c2cccs2)C1 102745944 DTHBEMAZLKBDEV-SJKOYZFVSA-N 364.430 4.760 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223246246 WSJJCDRMVMMNAJ-KSFYIVLOSA-N 351.490 4.773 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccccc1OC 223257043 BKMLTUVCCFGIBQ-RDTXWAMCSA-N 361.869 4.692 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224320276 OTOPVYLJBRZSHF-PMACEKPBSA-N 362.502 4.512 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc2c3c(cccc13)CC2 224615104 FZGRDOANMFLBBX-IBGZPJMESA-N 361.441 4.743 0 40 FJAB CCOc1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225565745 BGXYGTAKTFOCPC-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB Fc1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343114 XTXAZLNQFFBWQP-UHFFFAOYSA-N 370.019 4.894 0 40 FJAB O=C(CCN1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 575442870 HNWZPBWCXMHKQM-UHFFFAOYSA-N 358.894 4.955 0 40 FJAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 984315 IMGMZOMFSCDBCO-QGZVFWFLSA-N 357.251 4.537 0 40 FJAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 2361115 XBYHTMDHSDKWBW-JTQLQIEISA-N 369.874 4.601 0 40 FJAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C(C)C)cc2)cc1Cl 2888711 CALILSUOUFNSSM-YRNVUSSQSA-N 371.864 4.967 0 40 FJAB CCCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385030 AHDJUADNFIYQLO-AWEZNQCLSA-N 353.853 4.620 0 40 FJAB O=C(O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 4653310 FOXQGYSHXYXXQY-ZDUSSCGKSA-N 372.635 4.593 0 40 FJAB CC(=O)N1c2ccc(Cl)cc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 4673032 QBXGGISCYWWRKD-ZUOKHONESA-N 356.853 4.579 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1 5756006 AKORRPCLGYZHLK-UHFFFAOYSA-N 362.267 4.898 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(OC)cc1Cl 6126726 HZQBKTJXBIMCKW-VMPITWQZSA-N 352.217 4.663 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F 6377259 RQYPKPAIKRWPMI-SECBINFHSA-N 372.621 4.648 0 40 FJAB COc1ccc(-c2nnc(SCc3ccc(F)cc3)n2C(C)C)cc1 6879890 MPZALAZRRMGJIW-UHFFFAOYSA-N 357.454 4.966 0 40 FJAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccc(F)c1 6932347 BDOGDGGUJMYTEJ-LJQANCHMSA-N 367.351 4.502 0 40 FJAB O=C(Nc1ccccc1F)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604325 QMKBNEPVVXINKE-UHFFFAOYSA-N 358.372 4.567 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C2CCCCC2)cc1 7781331 PPCGQURFRAAZCE-UHFFFAOYSA-N 366.461 4.954 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 7951274 MJJFFXWSVIYQBB-UHFFFAOYSA-N 358.869 4.736 0 40 FJAB CC(=O)c1cc(CCC(=O)Nc2ccccc2Cc2ccccc2)oc1C 8114225 XFSFFGSYOYEBGI-UHFFFAOYSA-N 361.441 4.953 0 40 FJAB Fc1ccccc1OCCSc1nnc(-c2c[nH]c3ccccc23)o1 8187391 FJGRJPZGVRNTAZ-UHFFFAOYSA-N 355.394 4.528 0 40 FJAB COc1cc(-c2nnc(S[C@H](C)c3ccccc3)o2)cc(OC)c1OC 8231817 SRYLQVGJWOTHIV-GFCCVEGCSA-N 372.446 4.616 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccccc1F 8472271 QNITYKNOYQIOMO-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546552 MZAHBXBXJLSIHJ-INIZCTEOSA-N 367.836 4.603 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2csc(-c3ccccc3)n2)cc1 12929442 SPDZKIUYVYMTPG-LJQANCHMSA-N 364.470 4.796 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12984635 LWRUTIYEELNMQR-UZLBHIALSA-N 351.471 4.730 0 40 FJAB CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 14586037 LYJWLIYDNZREPC-UHFFFAOYSA-N 372.461 4.894 0 40 FJAB endogenous,in-man O=C(CSc1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 15949540 QMVCLCIPAOXJTD-UHFFFAOYSA-N 366.511 4.704 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccccc2)s1 18702444 KFPSTSFPCJLGSO-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB COc1cc2c(cc1OC)[C@H]([C@@H]1CC=CCC1)N[C@H](c1ncccc1C)C2 19237829 AMNMERCPYCDHTK-ICPLQIHGSA-N 364.489 4.692 0 40 FJAB Cc1csc2c(C3CCN(CCCOc4ccccc4)CC3)nc(C)n12 19240571 LFKWXGRXFGUZBC-UHFFFAOYSA-N 369.534 4.661 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(C(C)C)cc1 20106069 AAEOXMNVBRZTAV-NRFANRHFSA-N 353.506 4.943 0 40 FJAB COc1ccc2cc(CN(C)C(=O)[C@H]3Cc4ccccc4S3)ccc2c1 22276028 ZNHAAMTXPQGECL-OAQYLSRUSA-N 363.482 4.524 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1cccc(Cl)c1 22458444 MWOPJFNUSUNGNA-UHFFFAOYSA-N 365.776 4.902 0 40 FJAB Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 30754742 PHJDUTCGDQDVPW-HTAPYJJXSA-N 363.432 4.807 0 40 FJAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 36619733 MOWZGXSAZBZGBU-HXUWFJFHSA-N 357.519 4.818 0 40 FJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccccc2)c1 39981663 SLLMLKJVVDRMFI-KXBFYZLASA-N 371.502 4.548 0 40 FJAB Cc1oc(C)c(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)c1C 40112349 TUSOMGPHITXIJE-OAHLLOKOSA-N 354.494 4.509 0 40 FJAB CC[C@@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 40413634 VEFQGLMERPXJLP-LJQANCHMSA-N 364.533 4.670 0 40 FJAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC2(C)C)cc1C 45933025 SGTCUCYKUZZGAC-UHFFFAOYSA-N 370.905 4.965 0 40 FJAB CN(C(=O)Nc1ccc(F)cc1F)[C@@H](c1cccc(F)c1)c1ccccn1 58297327 SUNKRZUGDFEQNT-IBGZPJMESA-N 371.362 4.752 0 40 FJAB COc1ccc(CNC(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 59461426 USOKHWZRHNQKPS-NRFANRHFSA-N 365.860 4.797 0 40 FJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2CCc2ccccc2)n1 72379126 NPYUVONJKATYQF-NRFANRHFSA-N 360.505 4.770 0 40 FJAB FC(F)(F)c1ccn(-c2ccc(CNCc3ccc4c(c3)CCC4)cc2)n1 84403223 RIZWVRYRZHGNJA-UHFFFAOYSA-N 371.406 4.670 0 40 FJAB Cc1cn2nc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2n1 95352983 SGJRPGNSKOYQHE-UHFFFAOYSA-N 367.274 4.929 0 40 FJAB C[C@@H](c1ccccn1)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 95456009 NXFLSYVFVRKBOW-SFHVURJKSA-N 369.468 4.687 0 40 FJAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1OC 102726681 KFYQRUWMSPYECR-SFHVURJKSA-N 368.433 4.850 0 40 FJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 222585694 VHCHUNRXZILKAO-LBPRGKRZSA-N 369.827 4.736 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c(C)c1 222894503 CXGOTTSNVVFWLH-HXUWFJFHSA-N 369.461 4.530 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC)c(OC)c1 222909031 VMXHLYNIMKPRQT-SFHVURJKSA-N 371.477 4.797 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224419840 JQTFCRLEAXNCQW-QGZVFWFLSA-N 360.457 4.641 0 40 FJAB CCc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224596189 XAXVQVXRTRRDEB-UHFFFAOYSA-N 353.506 4.674 0 40 FJAB COc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1F 225387495 GDLOUTXLGIWGDL-GOSISDBHSA-N 369.436 4.791 0 40 FJAB COc1cccnc1NC(=S)NC1(CCc2cccc(C)c2)CCCC1 225875561 LVJUEJAZLPEODU-UHFFFAOYSA-N 369.534 4.631 0 40 FJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c2ncccc12 225908692 AFQCKVQMLDJPOD-NRFANRHFSA-N 358.482 4.948 0 40 FJAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 408624100 BAFCXIFAIKQAIL-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB O=C(c1cccc(OCc2cccc(F)c2)c1)C(F)(F)Br 575357713 SXPRXCAONFMBNP-UHFFFAOYSA-N 359.141 4.575 0 40 FJAB O=C(Oc1cccc2c1Oc1nc3ccccc3nc1O2)c1cccs1 984203 POEDMRKZTIMXNE-UHFFFAOYSA-N 362.366 4.809 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)c(C)c1 1104825 YXAKZQVKGJABGX-UHFFFAOYSA-N 367.499 4.554 0 40 FJAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)[C@@H]2C)cc1OC 4104688 WYBOVISLCPAJFV-QLEMLULZSA-N 356.462 4.681 0 40 FJAB biogenic,in-vitro Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)ns2)c1C 4167221 SDCQWHYTMGMPPY-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB CCOC(=O)Nc1c(C(=O)Nc2ccccc2OCC)oc2ccccc12 4342005 ZZMXLFWXFLSEFR-UHFFFAOYSA-N 368.389 4.652 0 40 FJAB COc1ccc2sc(Nc3nc4c(s3)C(=O)CC(C)(C)C4)nc2c1 4359821 UVANFTJSQGMTDV-UHFFFAOYSA-N 359.476 4.660 0 40 FJAB COc1ccc(/C=C/c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 4361502 BAZXADWHELXCCR-DHZHZOJOSA-N 368.849 4.685 0 40 FJAB Cc1ccc(C[C@@H](Sc2nc3cc(C)ccc3[nH]2)C(=O)O)c(Cl)c1 4626256 OIJCUTVJENGLLV-MRXNPFEDSA-N 360.866 4.621 0 40 FJAB Cc1ccc(Nc2nc(C(=O)N[C@@H](C)CCc3ccccc3)cs2)cc1 4675450 WWKWFZFIHBNPPU-INIZCTEOSA-N 365.502 4.946 0 40 FJAB CN(c1ccccc1)[C@H](C(=O)NC1CCCC1)/C(Cl)=C/c1ccccc1 4677843 WKLRGYZWSZWANZ-LDETYFQJSA-N 368.908 4.830 0 40 FJAB Cc1ccc(C(C)C)c(OCCNC(=O)NC23CC4CC(CC(C4)C2)C3)c1 4717678 UFRNMQVRZTZIBE-UHFFFAOYSA-N 370.537 4.765 0 40 FJAB O=C(O)Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 5023159 QCJUBGOWJPPAFP-UHFFFAOYSA-N 362.813 4.973 0 40 FJAB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3)C[C@H]21 5093212 CVNMIRONZCQHJW-NFBKMPQASA-N 371.440 4.723 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1ccccc1 5772818 XLZRMRYVODGQCV-OAHLLOKOSA-N 365.351 4.516 0 40 FJAB C[C@@H]1CSC(N(C(=O)c2ccc3c(c2)CCC3)c2ccc(Cl)cc2)=N1 6651350 DWNKSLKLNGFPRT-CYBMUJFWSA-N 370.905 4.967 0 40 FJAB c1cncc([C@H]2Nc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 6674689 MCHCMWBZZMGXJL-PKTZIBPZSA-N 352.441 4.635 0 40 FJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 6786447 UWTPFWGOACQYAX-UHFFFAOYSA-N 373.758 4.636 0 40 FJAB O=C(c1ccccc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6869914 ZGCGHCVAZZKLPP-ZDUSSCGKSA-N 372.877 4.776 0 40 FJAB Cc1nc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cs1 7790497 AOVMFIWLWWUASW-UHFFFAOYSA-N 367.503 4.819 0 40 FJAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4oc(C)nc4c3)o2)cc1 8133938 PRGNCYRZJMJIQF-UHFFFAOYSA-N 360.369 4.851 0 40 FJAB Cc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)cc1 8411711 LWGGKZDXBIXQCE-UHFFFAOYSA-N 358.894 4.831 0 40 FJAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10276649 VTLVOLPFCLKJKU-HOTGVXAUSA-N 355.478 4.637 0 40 FJAB O=C(c1cc(F)ccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12855274 WAAAYLPBQHFYDJ-LBPRGKRZSA-N 358.413 4.594 0 40 FJAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 13495293 HCKOCYMGJNYSIW-OAHLLOKOSA-N 363.461 4.834 0 40 FJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccccn4)nnc3s2)cc1 13720129 OROKTVPYKHVYHW-CQSZACIVSA-N 363.490 4.598 0 40 FJAB Cc1csc(N(C(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2)n1 14586716 SZOXAEGMTOGMLY-CQSZACIVSA-N 356.422 4.723 0 40 FJAB CCCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1OCCC 14722782 AQVSFRHLRBFOOP-UHFFFAOYSA-N 356.466 4.583 0 40 FJAB Cc1sc2nc(-c3ccccc3)nc(NC3CCC(O)CC3)c2c1C 15208774 JCBHMIGPHIRJQG-UHFFFAOYSA-N 353.491 4.691 0 40 FJAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3cccnc3)cc12 16993251 ZWDGZLFJDWLZHP-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB biogenic Cc1ccc(Cn2nc(C)c(CNCc3ccccc3Cl)c2C)cc1 17310515 HKQOGOPODNYWLE-UHFFFAOYSA-N 353.897 4.800 0 40 FJAB Cc1nn(C)cc1CN1CCCCC[C@H]1c1cc(-c2cccs2)on1 19583872 KKVQYJRLGVMTAA-KRWDZBQOSA-N 356.495 4.562 0 40 FJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1cccc(Cl)c1 21787147 CFUGKVWFMDXKHE-IBGZPJMESA-N 367.880 4.812 0 40 FJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccccc1Cl 27662583 RUQUGCKFRZBUJA-KRWDZBQOSA-N 362.926 4.749 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 27988989 SNYUXPGSJPYGQU-OAHLLOKOSA-N 367.474 4.536 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(OC(C)C)c1 30847697 MHSHNMLYUQGYJL-HXUWFJFHSA-N 355.478 4.564 0 40 FJAB O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc(F)cc1F 31532140 KWWDFNQOROOCOW-UHFFFAOYSA-N 350.368 4.911 0 40 FJAB Cc1ccc(CSc2nnc(COc3c(C)cccc3C)n2C)cc1 33572506 QUOJGGNWRZHETK-UHFFFAOYSA-N 353.491 4.612 0 40 FJAB COc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccccn12 35616365 CPDIIYBRWFQECV-UHFFFAOYSA-N 358.445 4.820 0 40 FJAB CC(C)=C1OC(=O)C(C)(C)N2c3ccccc3[C@H](c3ccccc3)[C@H](C)N12 38337608 OZZVROPRARXLBN-JXFKEZNVSA-N 362.473 4.831 0 40 FJAB O=C(Cn1ccc2ccccc21)Nc1cccc(-c2cn3ccsc3n2)c1 38486245 ZPFCOQYCERFYPP-UHFFFAOYSA-N 372.453 4.656 0 40 FJAB CCCCCCn1c(S[C@H](C)c2nnc(C)o2)nc2ccccc2c1=O 48186882 XARNOMBYHRBMJR-CYBMUJFWSA-N 372.494 4.522 0 40 FJAB Cc1sc2c(c1C)CN(C1CCC(C)CC1)CN2C(=O)c1ccco1 57530567 LHSACYVMROHNRT-UHFFFAOYSA-N 358.507 4.957 0 40 FJAB COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 57703914 HJWXEASARBEWOF-KRWDZBQOSA-N 370.493 4.933 0 40 FJAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(N(C)C3CCCCC3)cc2)no1 57994939 HZAXLIYTUTTYDQ-OAQYLSRUSA-N 367.493 4.729 0 40 FJAB CC(C)Oc1ccccc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O 59738145 YOOCLQWKRFHCHJ-UHFFFAOYSA-N 363.244 4.539 0 40 FJAB CC(C)Oc1ccccc1CC(=O)Nc1cccc(COCC2CC2)c1 60302222 GCANWYGIMXUNFB-UHFFFAOYSA-N 353.462 4.582 0 40 FJAB Cc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1cccc(F)c1 67341615 WLGOCUGGZZSCSP-UHFFFAOYSA-N 354.385 4.644 0 40 FJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840039 ZEDCJBDGMGYYHX-UHFFFAOYSA-N 369.468 4.978 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72348606 OHIWNBFLSLHFNK-GOSISDBHSA-N 360.432 4.908 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72348623 WQZWFJZWMJPKHP-NRFANRHFSA-N 356.469 4.692 0 40 FJAB CCC(CC)c1nnc(NC(=O)N2CCC[C@H]2c2cccs2)s1 76077293 BCRQFWGQLQEVQT-LBPRGKRZSA-N 350.513 4.872 0 40 FJAB Cc1c(C(=O)NCCc2nc3c(s2)CCCC3)sc2ccccc12 89568347 ABURQZMPLFJJPM-UHFFFAOYSA-N 356.516 4.518 0 40 FJAB Cc1noc(C2CC2)c1NC(=O)[C@H]1C[C@@H]1c1c(Cl)cccc1Cl 96011164 XNEWTZWYARDVME-QWRGUYRKSA-N 351.233 4.909 0 40 FJAB COc1cccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3ncnc3N2)c1 101142357 KUFQCXGWVZZURJ-MRXNPFEDSA-N 373.243 4.650 0 40 FJAB Brc1cccc(-c2noc(-c3occc3Br)n2)c1 216668847 YQDQXCICHRRHJQ-UHFFFAOYSA-N 370.000 4.522 0 40 FJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1 219451207 OSUHUYQSXMYHGQ-UHFFFAOYSA-N 364.832 4.872 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1C 219523951 IWHTZXRGZACYFQ-IBGZPJMESA-N 353.506 4.943 0 40 FJAB COc1cc(CNC(=O)c2ccccc2SC(C)C)ccc1OC(C)C 219653103 RQBPBIJMNXVXLR-UHFFFAOYSA-N 373.518 4.913 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2cccc3ccccc23)c1 222668406 BAYLYYXXWSCDPW-UHFFFAOYSA-N 367.832 4.851 0 40 FJAB CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C=C(n2ccnc2)CCC1(C)C 223134553 CIGRGLYYGIMTOD-GOSISDBHSA-N 374.410 4.939 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)cc1Cl 223744043 XLMRRUDKOPSSAO-UHFFFAOYSA-N 352.261 4.926 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223921408 ONPPTEBVXSBTHP-QGZVFWFLSA-N 367.474 4.618 0 40 FJAB CCc1ccc(CC)c(CNC(=O)COc2ccccc2C(C)(C)C)c1 224124057 WAEUVULZSYDDDC-UHFFFAOYSA-N 353.506 4.804 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCC1 224344491 QPFROLYQKUNBCM-HXUWFJFHSA-N 361.551 4.515 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882505 DBZIHVWUXKATSU-KRWDZBQOSA-N 367.367 4.998 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)c(C)n1 225907326 ZILAPBAUGLZOJJ-FQEVSTJZSA-N 350.503 4.883 0 40 FJAB CCc1ccccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408625985 YZBCAZKJFMQYTA-UHFFFAOYSA-N 368.436 4.990 0 40 FJAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc2oc(C(=O)O)cc2c1 565102980 JYJLVPZSFBSPNI-DYVFJYSZSA-N 353.393 4.648 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2s1 585147891 GJGITVIBTPSFAT-QGZVFWFLSA-N 363.438 4.625 0 40 FJAB CCCCNC1=NCCCCCCOc2ccccc2Oc2ncccc21 643588744 JUDMEZHTQZCXKX-UHFFFAOYSA-N 367.493 4.963 0 40 FJAB Cn1cccc1-c1nnc([C@H](Oc2ccc(Cl)cc2)c2ccccc2)o1 1261427287 SIZDKDZAGZYOTL-GOSISDBHSA-N 365.820 4.897 0 40 FJAB Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 639050 HUJUJXWEWDBMDN-OAHLLOKOSA-N 362.425 4.630 0 40 FJAB Cc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 853641 IQFQFOVQLRFHMW-UHFFFAOYSA-N 369.515 4.609 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 1841090 NFCXBJTVQVOXRL-UHFFFAOYSA-N 363.866 4.709 0 40 FJAB COc1cccc(/C=C(/C(=O)OCC(=O)c2ccccc2)c2ccccc2)c1 3240574 RGNCRYZHEGJRHT-CJLVFECKSA-N 372.420 4.662 0 40 FJAB COc1cc(OC)c(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 3455927 SUVXNGRXPOWLAK-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB CCCC(=O)Nc1c(C(=O)Nc2ccccc2OCC)oc2ccccc12 4341985 LZLPBZWBFBTZOU-UHFFFAOYSA-N 366.417 4.822 0 40 FJAB Cc1cccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)c1 4392490 JQEPOMFRDDPCBR-UHFFFAOYSA-N 372.440 4.678 0 40 FJAB COc1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1OC 5059336 ZVELWTINVYFKKS-GFCCVEGCSA-N 374.824 4.856 0 40 FJAB O=C(OCCOc1c(Cl)cccc1Cl)c1c[nH]c2ccccc12 5136773 YIVVFNZGQFXPEZ-UHFFFAOYSA-N 350.201 4.711 0 40 FJAB COc1cccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 5157828 CKIDWARXVIRVJP-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB CCOC(=O)C1=C(C)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 5163797 RLLJSEPLPUEYQJ-ICSRJNTNSA-N 352.455 4.606 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(-c4cccs4)o3)n2)cc1 5474275 DWHMGZYWBMUEQG-NSHDSACASA-N 369.475 4.745 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3nc(C)sc3c2)cc1 5578253 VYQDFULVHJWDJS-UHFFFAOYSA-N 368.458 4.605 0 40 FJAB COc1ccc(N2N=C3c4ccccc4CC[C@H]3N2c2ccccc2)cc1 5917272 LHOLJVPHBNFUJF-JOCHJYFZSA-N 355.441 4.656 0 40 FJAB Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)s1 6219068 VIHIOSIRVGUATN-UHFFFAOYSA-N 371.512 4.768 0 40 FJAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1 6589475 DQSLLOXNNWHPTB-OAQYLSRUSA-N 373.408 4.506 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(F)cc1 8519089 HBBBMXPMUIPCHX-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 8990196 VOYIXWCDTIFGRP-OAQYLSRUSA-N 362.404 4.601 0 40 FJAB O=C(Cc1ccccc1F)Nc1c(-c2ccc(F)cc2)nc2sccn12 12520767 FCELHBZTKOJEPG-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB Cc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccncc3)=NN2)cc1 13544374 PXVSWMUZYURFDX-UHFFFAOYSA-N 362.436 4.977 0 40 FJAB COc1ccc(OC)c([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 17198535 MHMOCYAUVDCCBB-FQEVSTJZSA-N 357.475 4.606 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSc1ccc(Cl)cc1 19934208 WXQQONAZZRUIEA-SFHVURJKSA-N 363.910 4.714 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H](CC)c2ccc(C)cc2)cc1OCC 20110256 AGZVKXDTGQEKKE-FQEVSTJZSA-N 369.505 4.993 0 40 FJAB COc1cc(OC)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1Cl 21843928 HGPZKAOZBARZNE-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1cccs1 22131844 UNYJHZLCQAAWIR-CQSZACIVSA-N 360.529 4.839 0 40 FJAB Cc1nc2sc3c(c2c(-c2ccco2)c1C(=O)N(C)C)CC[C@H](C)C3 22385919 ASTAPICVMZDUCV-NSHDSACASA-N 354.475 4.691 0 40 FJAB Brc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1 26687910 XEANNIMCROFSQB-UHFFFAOYSA-N 356.248 4.887 0 40 FJAB O=C(Nc1ccccc1N1CCc2ccccc2C1)c1ccc(Cl)nc1 32800805 ROHHYPKUAZMDQY-UHFFFAOYSA-N 363.848 4.550 0 40 FJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 32845925 UIRVJGXGEKPHKV-XMMPIXPASA-N 371.436 4.890 0 40 FJAB OC1=Nc2c(ncn2-c2cccc(C(F)(F)F)c2)[C@@H](c2cccc(O)c2)C1 36359769 AXZONKIWEMCAKM-OAHLLOKOSA-N 373.334 4.720 0 40 FJAB COc1ccc([C@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)cc1 38566682 KDXMLWBBAOCTTM-IBGZPJMESA-N 369.530 4.754 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(OC(C)C)c2)CC1 39757617 RTRKNUNYRUQGGD-UHFFFAOYSA-N 366.505 4.633 0 40 FJAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nc(C)c(C)s1 49546402 SNYUBFLICMFPGO-UHFFFAOYSA-N 360.508 4.602 0 40 FJAB CN(CCCNc1ccccc1)c1nc(-c2ccncc2)nc2ccccc12 58244917 JEHYBTZGBDCAAY-UHFFFAOYSA-N 369.472 4.630 0 40 FJAB COc1c(C)cnc(CN(C)C(=O)c2cc3c(ccc4ccccc43)[nH]2)c1C 58957780 IKXCPLJDROBNCE-UHFFFAOYSA-N 373.456 4.614 0 40 FJAB Cc1ccc(COc2ccccc2/C=C/C(=O)Nc2ccc(O)cc2)cc1 62715353 DRJSZPUWWVOHSW-XNTDXEJSSA-N 359.425 4.932 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C 64983090 YRRLJTHQOCBXCA-GOSISDBHSA-N 352.478 4.700 0 40 FJAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 78877870 CSDPLABTJLVZOH-IBGZPJMESA-N 367.537 4.917 0 40 FJAB C[C@@H](C(=O)Nc1cccc2c1ccn2C)c1ccc(C[C@@H]2CCCC2=O)cc1 95477459 KIHKYUZMSJDMJW-APWZRJJASA-N 374.484 4.832 0 40 FJAB Cn1cnc2c(-c3ccccc3)nc(C3CCN(Cc4ccoc4)CC3)cc21 96099924 ANUDVQSKEJQGFU-UHFFFAOYSA-N 372.472 4.608 0 40 FJAB O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCCCC1 96990145 OEOSJOHDTGELRF-UHFFFAOYSA-N 364.367 4.909 0 40 FJAB O=C(Nc1ccccc1Cl)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423070 LYTJUAPBQQFQRY-ROUUACIJSA-N 369.896 4.657 0 40 FJAB C[C@H]1CN(C(=O)N2c3ccccc3Sc3ccccc32)[C@H](C)CC1=O 100561341 MDWDYOWWFHITDX-UONOGXRCSA-N 352.459 4.709 0 40 FJAB C[C@@]12CC3CC(C(=O)Nc4ccc(Br)cn4)(C1)C[C@@](C)(C3)C2 101087290 AZDUVMNPPOBBBU-ZAXHRSJFSA-N 363.299 4.779 0 40 FJAB Cc1ccc(-c2ccc(Br)cc2)n1Cc1ccc(C(=O)O)cc1 165965368 JCKYZMCZOPVMGO-UHFFFAOYSA-N 370.246 4.973 0 40 FJAB CCOC(=O)c1cc(NC(=O)CCc2ccccc2Cl)ccc1Cl 220017943 ROPGRYLAEHZTGN-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB CCOc1ccc(CCCNC(=O)CCc2cccc3ccccc23)cc1 222676718 UIQGZYKRFOVOKS-UHFFFAOYSA-N 361.485 4.920 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C4CC4)c3C)N21 222682640 DOGKQYFCXVLMDF-RYGJVYDSSA-N 366.534 4.814 0 40 FJAB O=C(COc1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 222764048 NBYUXTQEIYRTTQ-UHFFFAOYSA-N 365.860 4.948 0 40 FJAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(C)cc2)cc1C(C)C 223370321 YRPUNYQQVVWURL-KRWDZBQOSA-N 355.478 4.692 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C 223499052 GRGDPWDWRQJXAP-IBGZPJMESA-N 351.490 4.537 0 40 FJAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC3CCCCCC3)cn2)C1 224042025 GIRPDVGPGGTVHA-HZPDHXFCSA-N 360.571 4.573 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)s1 224152703 WPPXEMMCGAOANH-MSOLQXFVSA-N 351.500 4.629 0 40 FJAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 225647637 VXKXMRIEHDNMCJ-UHFFFAOYSA-N 364.489 4.880 0 40 FJAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2c[nH]c3ccccc23)n1 257264182 LTGDBMFSNIFRGU-OAQYLSRUSA-N 373.460 4.567 0 40 FJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260772213 MUZGMHLPAWLDQG-MAODMQOUSA-N 374.513 4.770 0 40 FJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2c3ccccc3C[C@@H]12 408992515 AGVGHIKTGCLZHU-FCEUIQTBSA-N 371.436 4.864 0 40 FJAB O=C(NCc1ccc(-c2ccco2)o1)C(c1ccccc1)c1ccccc1 585147819 WMOKSKRZYCFZAV-UHFFFAOYSA-N 357.409 4.988 0 40 FJAB Cc1ncc(CNc2cccc(C3CCN(Cc4ccccc4)CC3)c2)o1 628319463 NXHIPQOBSCSYKD-UHFFFAOYSA-N 361.489 4.975 0 40 FJAB CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(OC(F)(F)F)cc1 1620876859 LJUYLAUESVHCEW-YVEFUNNKSA-N 357.347 4.590 0 40 FJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OC 630485 JQPWFTJHYDCVGK-UHFFFAOYSA-N 366.413 4.501 0 40 FJAB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c(C)c1 850110 KWSWCCIDDYYOFA-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB Cc1cc(C)cc(OCc2nnc(NC(=O)c3ccc(C)c(C)c3)s2)c1 987492 MJKNPAZNRKDZJC-UHFFFAOYSA-N 367.474 4.603 0 40 FJAB Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)c1C 1327184 FWCDZMJYECBPIC-UHFFFAOYSA-N 364.518 4.756 0 40 FJAB CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CCCC2)cc1 1370078 XUZJWZGWBYJWQF-NHCUHLMSSA-N 371.594 4.864 0 40 FJAB CC(=O)OCc1c(-c2ccccc2)nn(C)c1Sc1ccccc1Cl 1392052 JLKINBOZIAWNSL-UHFFFAOYSA-N 372.877 4.955 0 40 FJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C(C)C)c1 3117823 KIYWGZQBIYXHAJ-KRWDZBQOSA-N 367.555 4.514 0 40 FJAB Cc1cccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C 3452689 QLUHJWORLKMEJI-UHFFFAOYSA-N 350.418 4.740 0 40 FJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 4130182 FAHWTOURIJINNN-AOOOYVTPSA-N 354.233 4.503 0 40 FJAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc2ncccc12 4776757 MWIFSOBABBXAQK-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB Cc1ccc(-c2csc(NC(=O)CSc3ccccc3F)n2)cc1 5077612 FIUQZTBGKBPGFO-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB Cc1ccc(S(=O)(=O)N=[S@@](Cc2ccccc2)c2ccccc2)cc1 6019463 YBJPXMZEOZNRRW-XMMPIXPASA-N 369.511 4.745 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 6649466 PVURWPDMNWHLTN-INIZCTEOSA-N 370.518 4.644 0 40 FJAB Cc1ccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 6759360 DTONKZBCVRIABC-UHFFFAOYSA-N 350.296 4.523 0 40 FJAB COc1cc(CNC(C)(C)C)ccc1OCc1c(F)cccc1Cl 6882538 BBFYWWWPFGQJRD-UHFFFAOYSA-N 351.849 4.955 0 40 FJAB O=C(NCCCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 6923299 VIEJIKQSNBTWAZ-UHFFFAOYSA-N 367.452 4.659 0 40 FJAB Cc1occc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 7698993 RSYVGJWMMCTDNS-UHFFFAOYSA-N 372.453 4.872 0 40 FJAB CC(C)(C)c1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7852016 OLLYYLZPEKRODU-UHFFFAOYSA-N 355.507 4.763 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1F 8048924 XPBYKYWMZYYLEK-MRXNPFEDSA-N 366.230 4.693 0 40 FJAB Cc1ccc(-c2c[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 8557912 HGSINYGCJIRJTI-UHFFFAOYSA-N 357.866 4.769 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)o1 8876936 UPRGRQKZROEHAH-ZWNOBZJWSA-N 374.289 4.531 0 40 FJAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccco4)n3)oc12 10749605 RVHGEJPBCREHRS-UHFFFAOYSA-N 354.387 4.800 0 40 FJAB CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccc(C)cc1 10966441 QUNSVOQIUWQXLY-LJQANCHMSA-N 350.466 4.510 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)CSc1cc(-c2ccccc2)ncn1 12016818 BYBBRKHEOQHOJT-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)[nH]c2c1 12591853 KTNWDRXRDLBDAF-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2F)cc1OC 12734469 AQXFEIGCGGZZMM-UHFFFAOYSA-N 358.196 4.792 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C(=O)C[C@@]1(CCC[C@H](C)C1)O2 12893343 FIAKOIHLLJSBOV-YTEVENLXSA-N 352.430 4.504 0 40 FJAB biogenic O=C(NCCSCc1c(F)cccc1Cl)c1cccc(Cl)c1 15225271 PRFDIZANYQPKCI-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB COc1cc(OC)c(NC(=S)Nc2c(C)cccc2C)cc1Cl 16281562 YJYKQHONOVQCAU-UHFFFAOYSA-N 350.871 4.783 0 40 FJAB Cc1cc(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)cc(C)c1Cl 16903695 YXTYUQARUBPWJM-MRXNPFEDSA-N 372.896 4.870 0 40 FJAB C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccccc1OC(F)F 18594299 RMUMNPBYMJIIHF-VIFPVBQESA-N 359.344 4.686 0 40 FJAB O=C(CSc1ccccc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151173 TYYYPHGXVQFXEK-UHFFFAOYSA-N 373.861 4.823 0 40 FJAB O=C(c1ccc(-n2cccc2)cc1)N(Cc1ccco1)Cc1cccs1 24461050 DEVANOIBWWZAJK-UHFFFAOYSA-N 362.454 4.974 0 40 FJAB O=C(c1cc(-c2ccco2)on1)N(Cc1cccs1)Cc1cccs1 24468960 RRNUQBSLHHZYLR-UHFFFAOYSA-N 370.455 4.900 0 40 FJAB Cc1cccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)c1 32117796 BPKWTIPLSGGBSU-UHFFFAOYSA-N 365.380 4.766 0 40 FJAB c1ccc2c(c1)N[C@@H](c1ccncc1)N1CCc3c([nH]c4ccccc34)[C@H]21 34087034 GRDHSQQRRZWWRP-XZOQPEGZSA-N 352.441 4.635 0 40 FJAB C[C@@H](NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1CCCO1 37176249 LRCXBITWOCWNRL-YGRLFVJLSA-N 354.233 4.551 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1Cl 39759147 COWGYNFUVAQXRA-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 41089896 VCSMKGSMLVSWFY-UHFFFAOYSA-N 369.852 4.626 0 40 FJAB O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCc2sccc2C1 48332350 KUGBJSAUZAJMBT-UHFFFAOYSA-N 360.891 4.724 0 40 FJAB O=C(NCCc1cccs1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58209082 JOGFATUMRMEQOT-WVKNIADZSA-N 365.542 4.945 0 40 FJAB Cc1nnc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)s1 58313040 ZBNKOLXKNAGYBH-GFCCVEGCSA-N 372.416 4.774 0 40 FJAB O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 58648600 CIRJFTVVFPGDHC-LBPRGKRZSA-N 351.155 4.553 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 59351931 LFAZVVYYCRBXDW-HZPDHXFCSA-N 355.478 4.637 0 40 FJAB COc1cccc(NC(=O)CN2CCC[C@@H]2c2cccc3ccccc23)c1 60040198 JCDPIBADEZXMBJ-JOCHJYFZSA-N 360.457 4.624 0 40 FJAB CCCCCn1c(SCc2c(C)noc2C)nc2ccsc2c1=O 67259677 YXDCQPSTZBLEQM-UHFFFAOYSA-N 363.508 4.545 0 40 FJAB COc1cccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)c1 71280819 IFJSSWAPWWKJTI-KRWDZBQOSA-N 369.465 4.594 0 40 FJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCCCc1ccccc1 71326713 CRRYUPHGWXPVPH-UHFFFAOYSA-N 357.523 4.559 0 40 FJAB Cc1cccc2sc(-c3cccc(I)c3)nc12 73638891 VGBUSFXBVZSVQG-UHFFFAOYSA-N 351.212 4.876 0 40 FJAB CO[C@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 78877245 OEWHZUBFYMAMPU-QGZVFWFLSA-N 372.877 4.581 0 40 FJAB CCCCCCn1c(SCc2nnc(CC)n2C)nc2ccccc21 89953392 ZGJPPUMKBXAEEH-UHFFFAOYSA-N 357.527 4.600 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)C[C@@H](c2ccco2)C1 102660514 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353.462 4.853 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CCC=Cc4ccccc43)cc(C3CC3)nc21 329849531 NTZVKOZBCXZXEO-UHFFFAOYSA-N 372.472 4.953 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cccnc3)nn2-c2cccc(C)c2)cc1 408724863 MGMQMBYJAJJTKC-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)c(OC)c1 408823077 CIKRYCRTXXSBFD-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB c1ccc(-c2cnc(Nc3cccc(CC[C@H]4CCCN4)n3)s2)cc1 585263257 SMFJUIRNIKRYDK-MRXNPFEDSA-N 350.491 4.633 0 40 FJAB Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 783334 ORCHEUFGSUNLOB-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1OCC 948632 YWSRLLGGSOXOAL-UHFFFAOYSA-N 366.417 4.562 0 40 FJAB COc1c(C(=O)Nc2cccc(C3OCCCO3)c2)ccc2ccccc12 1001472 ZHRVQAFLSJOAJF-UHFFFAOYSA-N 363.413 4.536 0 40 FJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(-c2ccccc2)cc1 1014165 VVWMOOPAKXZEOJ-UHFFFAOYSA-N 359.454 4.961 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cnc(C)cn4)cc3)sc2c1 3269059 XAJUIAYIDVJZAR-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB 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COc1ccc(CN(C(=O)c2csc3c2CC[C@@H](C)C3)C2CC2)cc1 19295852 NRVDANFAZHOMEO-CQSZACIVSA-N 355.503 4.686 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 20461892 KINHJALUNZBEDK-HSZRJFAPSA-N 362.517 4.726 0 40 FJAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3cccs3)N3CCCC3)oc2c1 28287615 YUIWAOKYULNQRJ-QGZVFWFLSA-N 368.502 4.678 0 40 FJAB COc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1 29508899 QMTXOTZNUSIMDU-UHFFFAOYSA-N 368.458 4.845 0 40 FJAB CC(C)c1c(C(=O)NCCc2cccs2)cnn1-c1ccc(Cl)cc1 32779798 NNMMTOBTCGBCFT-UHFFFAOYSA-N 373.909 4.683 0 40 FJAB Cc1cc(C)c(-c2csc(NC(=O)c3cccnc3S)n2)cc1C 32879944 XYTMFAJJNMUZEE-UHFFFAOYSA-N 355.488 4.671 0 40 FJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C[C@H](O)c1ccccc1 35287170 BJUMGNUGYMALPB-JPYJTQIMSA-N 374.484 4.665 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccc(C)cc3C)cc(-c3ccccc3)nc21 36616559 OPGIROJVNYCEHY-UHFFFAOYSA-N 370.456 4.987 0 40 FJAB COC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)c2cccc(C)c2n1 38487140 NMEJMLLUZGMUOV-UHFFFAOYSA-N 356.809 4.735 0 40 FJAB 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4.575 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225640746 MYMJTFSWRNWTGB-QGZVFWFLSA-N 367.474 4.618 0 40 FJAB Cc1nn(C)c(C)c1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225885082 QVWHEAMBTFFSSA-UHFFFAOYSA-N 355.825 4.735 0 40 FJAB CN(Cc1cccn1-c1ccccc1)C(=O)c1ccc2nc(Cl)oc2c1 225984630 LEMGKMAZNUYLOI-UHFFFAOYSA-N 365.820 4.544 0 40 FJAB COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cccs3)C[C@@H]21 227487078 RLAFMTYGNLHQMO-LIRRHRJNSA-N 352.415 4.592 0 40 FJAB CC(C)CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 408748866 CJKOJUAZWVDTOD-UHFFFAOYSA-N 368.483 4.845 0 40 FJAB Clc1ccccc1COc1ccccc1-c1nc([C@H]2CCCO2)no1 551953447 VDKSNYBTHLGDHC-QGZVFWFLSA-N 356.809 4.821 0 40 FJAB CSc1ccc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cc1 585418468 XFJUMINPOXUTII-UHFFFAOYSA-N 363.486 4.861 0 40 FJAB O=C(Oc1ccccc1C(=S)N1CCCCC1)c1ccc(Cl)cc1 866324 LOJXJHWSIWMZCZ-UHFFFAOYSA-N 359.878 4.721 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 1006655 VCGBXNUBZDNMEL-UHFFFAOYSA-N 374.440 4.898 0 40 FJAB 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4857145 ZLDIGORJNNGUCY-CTXDPNEZSA-N 371.594 4.918 0 40 FJAB COc1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)cc1OC 5019513 SOJFSOKVTSCRKJ-UHFFFAOYSA-N 362.838 4.700 0 40 FJAB Clc1ccc(Oc2ccc(NCn3nnc4ccccc43)cc2)cc1 5338700 YIRZNOYJZRRCCT-UHFFFAOYSA-N 350.809 4.947 0 40 FJAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c(C)c2cc1C 5451299 ZEBKKIOLKCHHJO-GOSISDBHSA-N 366.461 4.518 0 40 FJAB CC(C)c1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(F)cc1)=N2 5977363 QCUKUKLZSIFNKY-UHFFFAOYSA-N 358.420 4.778 0 40 FJAB Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 7058374 YHTFFGZTSLXNEA-UHFFFAOYSA-N 368.440 4.554 0 40 FJAB O=C(NCc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 8007385 UPLOOPHGFZIATE-UHFFFAOYSA-N 354.409 4.939 0 40 FJAB CC(C)c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1C1CC1 10924942 SKXFLFMNKWATKF-LBPRGKRZSA-N 354.479 4.581 0 40 FJAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1 13785477 MTTNSHITJXEXIJ-BKBKCADHSA-N 354.450 4.767 0 40 FJAB Cc1ccc(SCCNC(=O)CCC(=O)c2ccc(Cl)s2)cc1 14094381 NFROAOSAHXDVMV-UHFFFAOYSA-N 367.923 4.581 0 40 FJAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)cc1 16524642 OPCTUTHLNXVMSD-PZJWPPBQSA-N 361.832 4.977 0 40 FJAB Cc1ccc(-n2ncc3c(NCc4ccc(Cl)cc4)ncnc32)cc1C 17120415 FJPHXNVUMVVKBT-UHFFFAOYSA-N 363.852 4.698 0 40 FJAB c1ccc(-c2cnc(-c3ccncc3)c(CNCCc3ccccn3)c2)cc1 19374004 JZTZIMZEHXEZSY-UHFFFAOYSA-N 366.468 4.538 0 40 FJAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccccc1 20238121 WXDZOBHJSCODHP-UHFFFAOYSA-N 365.951 4.623 0 40 FJAB O=S(=O)(c1ccccc1)c1cnc2ccccc2c1NCc1ccccc1 20382335 MPBLAPAACMSCFH-UHFFFAOYSA-N 374.465 4.680 0 40 FJAB Cc1cccc(NC(=O)CSCc2cccc(Br)c2)c1C 22621368 CGRVYEWQWVJTSG-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB CCc1ccccc1NC(=O)c1c(C)nc(-c2ccco2)nc1SC 24924528 TWLYSVBEGITYKE-UHFFFAOYSA-N 353.447 4.582 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1OC(F)(F)F 26533967 WGKBUAQMNLVJIS-UHFFFAOYSA-N 372.774 4.580 0 40 FJAB O=C(CCCc1ncc(-c2ccccc2)o1)N[C@H](c1ccccc1)C1CC1 31714597 STWJZKBEWBOCGQ-HSZRJFAPSA-N 360.457 4.932 0 40 FJAB COc1cc(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)cc(OC)c1OC 32796871 AKHMDXDZEXSBCS-UHFFFAOYSA-N 368.433 4.569 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2nc3ccccc3n2C(F)F)cc1 40039182 UWQKFNQJOOPPJP-KRWDZBQOSA-N 357.404 4.777 0 40 FJAB COc1cccc(C(=O)Nc2ccccc2SCC(F)(F)F)c1OC 40040588 VFKZPJBXALLMPY-UHFFFAOYSA-N 371.380 4.611 0 40 FJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2c[nH]nc2C(C)(C)C)cc1 40156412 BVDTXWVAFGGUFN-NRFANRHFSA-N 374.488 4.782 0 40 FJAB CCCN(C(=O)NC1CCN(C2CC2)CC1)[C@H](C)c1cc2ccccc2o1 54562150 DEQOGYFMNREFGE-MRXNPFEDSA-N 369.509 4.542 0 40 FJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc3ccccc3s2)c1 57369455 OZFUVGPOMNGTBG-KRWDZBQOSA-N 354.475 4.651 0 40 FJAB CC(C)n1cnnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 58029865 XCRDDQBVGMABJM-HNNXBMFYSA-N 366.490 4.965 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353288 GRXLAAWRGABYEV-GOSISDBHSA-N 364.493 4.507 0 40 FJAB Cc1ccc(C)c(NC(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)c1 96182159 ARJKLFGGSRUXGN-UHFFFAOYSA-N 351.450 4.510 0 40 FJAB CCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 107835871 ARWINKOEEFCNLR-UHFFFAOYSA-N 358.869 4.981 0 40 FJAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(-n2cccc2)cc1 206946450 XBHFOIVCZPHSRM-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219608273 KOMZYUIAUVMAJK-ZWKOTPCHSA-N 373.880 4.916 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OC(C)C)CC(C)(C)O2 219745004 AENCEAWPXNAGGY-GOSISDBHSA-N 369.461 4.515 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1cccc(C)c1 224114236 NOFOZCLEUZEMHJ-UHFFFAOYSA-N 353.462 4.599 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1 224966235 OVNZLDCYHGJXFJ-HXUWFJFHSA-N 352.478 4.781 0 40 FJAB COc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225834920 LZHIKEHHSNOFAH-UHFFFAOYSA-N 356.491 4.503 0 40 FJAB CCC[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1 226774870 HFTWWOXOAFAZQQ-UHFFFAOYSA-N 352.639 4.608 0 40 FJAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 408628427 SXMATERTNBRUGG-UHFFFAOYSA-N 367.474 4.625 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 408700414 FQYABEGYGRTHHT-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CCCO[C@@H]21 409188824 GPHKBXSJIMMCHD-DKSSEZFCSA-N 357.837 4.761 0 40 FJAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1 575410917 MKXWJEQDRYAXAV-UHFFFAOYSA-N 358.397 4.590 0 40 FJAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(Oc2ccc(Cl)cc2)c1 1527907847 NGCPVZZXYWCSFI-VHKYSDTDSA-N 371.864 4.820 0 40 FJAB Cc1nc(NC[C@@H](CN(C)C)c2ccc(Cl)cc2)c2c(C)csc2n1 1559226172 GTXPJPZLPFJJJQ-HNNXBMFYSA-N 374.941 4.719 0 40 FJAB Oc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1 904229 GBDDAFQJPLBODG-UHFFFAOYSA-N 372.266 4.824 0 40 FJAB Clc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1Cl 1042653 YXHPXFQFVVHCME-UHFFFAOYSA-N 360.031 4.943 0 40 FJAB Cc1c([C@@H](C)OC(=O)Nc2ccc(Cl)c(Cl)c2)sc2ncnn12 1405013 WKZIGOPXCOHSLN-MRVPVSSYSA-N 371.249 4.716 0 40 FJAB Cc1ccc(-n2cnc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 2255245 PKVUNWAEWSWUCU-UHFFFAOYSA-N 356.469 4.966 0 40 FJAB Cc1cc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc12 2699688 NSBMZWGEWBJXAM-UHFFFAOYSA-N 374.412 4.875 0 40 FJAB CCCCc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 3303263 ZPNPHSKVQSTKAZ-UHFFFAOYSA-N 358.463 4.708 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3465033 RNTSLAQDOOMVTL-UHFFFAOYSA-N 351.475 4.642 0 40 FJAB CCn1cc(CC[C@@H](C)NC(=O)OCc2ccccc2)c2ccccc21 3765569 NRJOVENPWMFZGH-QGZVFWFLSA-N 350.462 4.909 0 40 FJAB COc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 4126248 WLYXLXIOTCRRDD-UHFFFAOYSA-N 373.412 4.525 0 40 FJAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)C(=O)O)CCCC3 4151982 JRQQLKKJCGKFDO-CQSZACIVSA-N 372.461 4.647 0 40 FJAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC2 4898516 WRBZHVVRPXPVGW-UHFFFAOYSA-N 357.409 4.793 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)O)[C@@]4(C)CC[C@H]32)C1 5357644 KXWWWRVUYQUXMN-PZNUWQRGSA-N 360.538 4.878 0 40 FJAB biogenic,in-vitro O=c1c2c(-c3ccccc3)csc2ncn1CCCOc1ccccc1 5483044 IFXZVLKLHFAMPK-UHFFFAOYSA-N 362.454 4.594 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(N[C@H]4CCOc5ccccc54)c23)C1 6557850 GFVAJIPLNFHGLL-DOMZBBRYSA-N 351.475 4.752 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OCC 6617526 CNZVTLYWHGCEHY-UHFFFAOYSA-N 369.339 4.635 0 40 FJAB O=S(=O)(Nc1ccc(F)cc1Cl)c1cccc(Cl)c1Cl 6627417 GAJIGJOYPZBWQF-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB CCN1C(=O)/C(=C\c2cccc(C)c2)S/C1=N/c1ccc(OC)cc1 6954455 UPUDNMYEHONOCQ-KXNKKEQVSA-N 352.459 4.628 0 40 FJAB CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl 7715342 VSEHOJYGGCGQHP-UHFFFAOYSA-N 356.224 4.606 0 40 FJAB O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 8104263 ATHWGENQZZBYSN-ZDUSSCGKSA-N 356.878 4.970 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)c1 8264900 SMHHFOKRANBXPX-SNVBAGLBSA-N 369.248 4.893 0 40 FJAB C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F 8721488 LMGBUOAVOGZZHL-JTQLQIEISA-N 362.376 4.771 0 40 FJAB COc1cccc2cc(C(=O)Nc3nc4c(Cl)cccc4s3)oc12 8960276 AQUMLBLDXKFYPS-UHFFFAOYSA-N 358.806 4.957 0 40 FJAB Cn1cc(/C=C/c2nc3ccccc3o2)c(-c2ccc3c(c2)OCCCO3)n1 9481591 NWNJYFDQCLGGIH-CSKARUKUSA-N 373.412 4.560 0 40 FJAB O=C(c1ccccc1O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235606 FSSPCADVBOZIRK-UHFFFAOYSA-N 372.877 4.675 0 40 FJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1cccc(Cl)c1 11865812 MTOYIPNKVAHBRG-MRXNPFEDSA-N 360.866 4.615 0 40 FJAB CC(=O)c1c(F)cccc1N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12509563 NTODYYSZHRPXQP-QGZVFWFLSA-N 355.409 4.531 0 40 FJAB CC(C)c1ccccc1OCC(=O)Nc1ccc(-c2nccs2)cc1 12980843 HMMSLABQEKGTCF-UHFFFAOYSA-N 352.459 4.951 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(CN2CCCC2)cc1 14183873 GJEBZAIVNAEDGS-UHFFFAOYSA-N 361.489 4.725 0 40 FJAB Cc1ccn2c(=O)cc(COc3cc(C(C)C)c(Cl)cc3C)nc2c1 14736987 MYMKXUFNSQLCAG-UHFFFAOYSA-N 356.853 4.667 0 40 FJAB CCOC(=O)c1ccc(OC(=O)c2oc3ccc(OCC)cc3c2C)cc1 15544281 AUEGIVUDPDNFDF-UHFFFAOYSA-N 368.385 4.536 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 17524028 XDJRQQVWUSXAFQ-IFXJQAMLSA-N 363.457 4.630 0 40 FJAB CCCCCC(=O)Nc1ncc2c(n1)C[C@@H](c1cccc(Cl)c1)CC2=O 18167313 NWUSIWXMWPHFPA-CQSZACIVSA-N 371.868 4.562 0 40 FJAB CCOc1ccc(Cc2nnc(SCc3ccccc3)n2C)cc1Cl 26807537 VFZYHNLMVYXFHA-UHFFFAOYSA-N 373.909 4.750 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccc(CC)cc1)c1ccccn1 27664545 YKXUITPZRLXERW-UHFFFAOYSA-N 360.457 4.890 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)n1 27970353 DLQVXDWORIAVGJ-UHFFFAOYSA-N 355.441 4.954 0 40 FJAB CCc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)c(C)c2c1 28404871 NJWUAHDZWOHUPM-UHFFFAOYSA-N 365.458 4.862 0 40 FJAB CCOc1cccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 32610084 QRDMRTGKWRRQBC-UHFFFAOYSA-N 363.461 4.508 0 40 FJAB CCOC(=O)C1CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 40096371 ATLVGKNPXUMCGU-UHFFFAOYSA-N 360.498 4.740 0 40 FJAB C[C@@H](OCCCNC(=O)c1c[nH]c2cc(Cl)ccc12)c1ccccc1 58172895 ORLAOWXLNWGYPB-CQSZACIVSA-N 356.853 4.719 0 40 FJAB Brc1ccc2nccc(N3CCO[C@H](c4ccccc4)C3)c2c1 58243982 MGOJVVIDDBKTJH-IBGZPJMESA-N 369.262 4.575 0 40 FJAB in-vitro Cc1ccc(-c2noc(CN(Cc3ccco3)C3CCCC3)n2)cc1F 58357267 BQDAIJJFUDYYGG-UHFFFAOYSA-N 355.413 4.722 0 40 FJAB CC(C)c1nc(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cs1 58803251 QRJOAGSLWUMNGW-FQEVSTJZSA-N 364.514 4.909 0 40 FJAB CC(C)Oc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)no2)cc1 61997133 MOHBJGZGYNLRGA-OAHLLOKOSA-N 350.418 4.620 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCC2 101082626 FXBOBWJPZFPWQV-KCQAQPDRSA-N 361.507 4.567 0 40 FJAB Cc1ccc(C[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 103442093 FGGZRNANYPVRCL-IBGZPJMESA-N 371.436 4.910 0 40 FJAB Cc1cccc(CSCCNC(=O)CSCc2cccc(C)c2)c1 222736517 JAESHNWJVOYNTR-UHFFFAOYSA-N 359.560 4.586 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221122 JDXZTYRFYNPTFU-UWJYYQICSA-N 351.490 4.827 0 40 FJAB O=C(O)[C@H](Cc1cccc(Br)c1)Sc1ccc(Cl)cc1 225064555 RRABFEHQBOXPTH-AWEZNQCLSA-N 371.683 4.891 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)s2)cc1 225183089 GBMXBFHDHDSPAL-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB O=C(NCCSCc1ccccc1F)C1(c2ccccc2)CCCC1 225562892 STTNLSYVWUPTBE-UHFFFAOYSA-N 357.494 4.687 0 40 FJAB COc1cccc(NC(=S)NCCCSCc2ccccc2C)c1 225600089 RONZBBMWYALUOI-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB Cc1cccc(NCc2cc(Br)c(O)c(Br)c2)c1 225644659 DJQSZFGJYCTFCT-UHFFFAOYSA-N 371.072 4.838 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1snnc1-c1ccccc1 225759473 FKFYJGMBHOQLFJ-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1snnc1-c1cccs1 225788515 ZRONPLNHBJPJNG-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB CSc1cccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 225811093 MIMRCHVNFOADKP-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB COC(=O)[C@@H]1C=C2C=C[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 253618108 RFEZQMLLKZHKAY-SKNKWTSTSA-N 356.506 4.720 0 40 FJAB COc1cc2c(cc1NC(=O)c1ccc(Br)cc1)CCCC2 408928271 YYWCFCYCQLALKC-UHFFFAOYSA-N 360.251 4.589 0 40 FJAB Cc1cc2c(cc1-c1nc(O)c3c4c(sc3n1)CCCCCC4)OCO2 408991878 RIUHQXHTYBWUCO-UHFFFAOYSA-N 368.458 4.760 0 40 FJAB Cc1sc2c(c1C)CN(Cc1ccco1)CN2C(=O)c1ccccc1 1298243 YPQRTUQSSCRKOJ-UHFFFAOYSA-N 352.459 4.578 0 40 FJAB CCOc1ccc(-c2nnc(N(CC)C(=O)c3ccccc3C)s2)cc1 1345541 HVPUWOVFXIFMSX-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB CCOc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 2049928 BXQTXIVDNFIBMU-UHFFFAOYSA-N 355.235 4.972 0 40 FJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 2057665 YIOVGUMVFSYJOK-UHFFFAOYSA-N 368.433 4.754 0 40 FJAB CCc1c(C)sc2ncn3nc(-c4ccc(Br)cc4)nc3c12 2808818 XUDRNTXYPJVIPM-UHFFFAOYSA-N 373.279 4.639 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1cccc(Cl)c1 3259710 ZMSLLBQXILDMME-UHFFFAOYSA-N 364.828 4.976 0 40 FJAB CCCSc1nnc(Cc2ccccc2)n1-c1ccc(OCC)cc1 3292342 ULSAEIQNQYTYON-UHFFFAOYSA-N 353.491 4.759 0 40 FJAB CN(C[C@H](O)COc1ccc2oc3ccccc3c2c1)C1CCCCC1 3305287 LRNXSFRHSVLSPN-KRWDZBQOSA-N 353.462 4.590 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C)CC3 3656778 YPIHDKMTJNZALF-GFCCVEGCSA-N 373.449 4.806 0 40 FJAB CC1(C)OC[C@H]([C@H](c2cc3ccccc3s2)N(O)Cc2ccccc2)O1 3847537 WPEGYFYPHDHZLC-YLJYHZDGSA-N 369.486 4.985 0 40 FJAB biogenic O=C(Nc1c(O)c2ccccc2oc1=O)c1sc2ccccc2c1Cl 6822958 CLFSZQZNYWIAET-UHFFFAOYSA-N 371.801 4.619 0 40 FJAB CC(C)[C@H](NC(=O)CCCSc1ccccc1)c1nc2ccccc2[nH]1 6887891 FQMBGEKTDYYGKA-FQEVSTJZSA-N 367.518 4.949 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)NCCCOC1CCCCC1 6989028 KESIKWYFPUMLMY-UHFFFAOYSA-N 365.473 4.984 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCN=C1SCc1ccc(F)cc1 7346132 PDLUFZLGCTTZKV-UHFFFAOYSA-N 364.445 4.724 0 40 FJAB COCCc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 7777249 UZORNBJRUASXOX-UHFFFAOYSA-N 361.441 4.560 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1C 7988597 ICVMTTLOWCHDJI-HXUWFJFHSA-N 360.457 4.548 0 40 FJAB CCOC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 8268911 HODOFVFABRVSRJ-OAHLLOKOSA-N 366.461 4.625 0 40 FJAB COc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 8279162 BRHHXIBXSUFJMV-UELRPHRMSA-N 352.459 4.538 0 40 FJAB Cc1nc(-c2ccc(NC(=O)c3cncn3-c3ccccc3)cc2)cs1 9336734 ZNDBTYNZPPVPCC-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 11169502 WCHKELMOVGPZSA-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB CC(C)C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1 11237679 VRBGDCYOJZXIQB-INIZCTEOSA-N 356.491 4.614 0 40 FJAB O=C1C[C@@H](c2cccc(OCc3cccc(F)c3)c2)c2sccc2N1 12428774 HEBQCXOTRMNRNW-KRWDZBQOSA-N 353.418 4.940 0 40 FJAB C[C@H](OCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 12872238 OPRQYWWPODCXNZ-ZDUSSCGKSA-N 352.261 4.891 0 40 FJAB COc1ccc(CCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1 12888947 HSRFZWHACJIYPN-UHFFFAOYSA-N 356.441 4.711 0 40 FJAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1c(F)cccc1F 12899447 AZZLJFQXGQZGRH-UHFFFAOYSA-N 355.340 4.775 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H](C)c1ccccc1 12989583 BTOQZERFBYHVNI-AWEZNQCLSA-N 368.458 4.735 0 40 FJAB COc1ccc(CC(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 14122053 ZCLJJUMBHNQSKF-UHFFFAOYSA-N 367.470 4.541 0 40 FJAB CCc1cccc(CC)c1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 15583856 SPMLAKWLIWWABO-OAQYLSRUSA-N 362.473 4.714 0 40 FJAB CC(C)=CCSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 15974767 PXGMJAKYEUOCPO-CYBMUJFWSA-N 355.504 4.740 0 40 FJAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)Nc1ccc(-c2nccs2)cc1 17590603 CRZNNXMDBOELSU-XCVCLJGOSA-N 372.453 4.648 0 40 FJAB Cc1cccc(-c2cc3nc4c(c(N5C[C@@H](C)C[C@@H](C)C5)n3n2)CCC4)c1 17821255 QNXSKFGTXRPOHF-CALCHBBNSA-N 360.505 4.676 0 40 FJAB CN(Cc1ccc(OC2CCCC2)cc1)Cc1nnc(-c2ccccc2)o1 19586427 UVUJSEAQQVSYDE-UHFFFAOYSA-N 363.461 4.690 0 40 FJAB OCc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 20298006 VKLWIPQAMKGNHM-UHFFFAOYSA-N 362.050 4.827 0 40 FJAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20459175 CFMUEJMTWZMMFO-HXUWFJFHSA-N 364.533 4.590 0 40 FJAB OC1=Nc2n[nH]cc2[C@H](c2cccc(OCc3cccc(Cl)c3)c2)C1 20731110 IQNRQNLGIVYFEB-INIZCTEOSA-N 353.809 4.766 0 40 FJAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CC[C@H](C(C)(C)C)C3)c1 27583389 GURZHAFYRNNBMJ-AWEZNQCLSA-N 358.507 4.620 0 40 FJAB Clc1ccc(CSc2nnc(C3CC3)n2C2CC2)c2ncccc12 31653284 IZXQWRPIQQHZAR-UHFFFAOYSA-N 356.882 4.984 0 40 FJAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(F)cc2)ccc1O 35616466 YHMQQIQLYDIMFJ-UHFFFAOYSA-N 363.392 4.907 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)cc1 40139334 OKXIBQFLKIPFOD-GOSISDBHSA-N 355.869 4.572 0 40 FJAB COc1ccc([C@H](Nc2nccc(C(F)(F)F)n2)c2ccccc2)cc1 44712125 MONIOPRGFKOLKE-QGZVFWFLSA-N 359.351 4.706 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 44934851 YWLNRFLHNUCKAM-UYAOXDASSA-N 368.496 4.532 0 40 FJAB Fc1cc(Br)ccc1Nc1ncnc2ccc(Cl)cc12 57519742 ILIGPHAIVOYSIX-UHFFFAOYSA-N 352.594 4.928 0 40 FJAB Cc1cccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)c1C 61997122 YPWPNCKTYCDJJU-UHFFFAOYSA-N 350.418 4.998 0 40 FJAB Fc1ccc(N2CC[C@@H](CNCc3csc4ccccc34)C2)cc1F 71832876 YXPHJCYIBDJPFO-AWEZNQCLSA-N 358.457 4.796 0 40 FJAB O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1cccc(-c2cn[nH]c2)c1 89826127 ZRDWRIDTOLYMIA-QGZVFWFLSA-N 359.351 4.751 0 40 FJAB CC(C)C[C@H]1C[C@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCO1 95991273 JYPBBFXRSYRXTA-SJORKVTESA-N 370.468 4.575 0 40 FJAB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102660492 CKJQQOPCWXDMRU-LAUBAEHRSA-N 356.429 4.652 0 40 FJAB CC1=NN(c2ccccc2)C(=O)[C@H]1C1c2ccccc2Oc2ccccc21 103774593 QHXPMLIGHUTSRD-OAQYLSRUSA-N 354.409 4.963 0 40 FJAB O=C(CCc1ccccc1F)NCCSCc1c(F)cccc1Cl 224049558 HEKBHEUQPFGTMI-UHFFFAOYSA-N 369.864 4.600 0 40 FJAB COc1ccc(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225556037 MGLDPBLECVEUGZ-UHFFFAOYSA-N 368.424 4.633 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225570655 BQAMQGYGOLDGGM-UHFFFAOYSA-N 371.452 4.692 0 40 FJAB O=C(NCc1cccnc1-c1cccs1)c1ccc(-n2cccc2)cc1 225760856 SDMMKUOTOOFHRY-UHFFFAOYSA-N 359.454 4.531 0 40 FJAB O=C(NCc1ccc(-c2cccs2)o1)c1ccccc1Br 575609141 PRRVCVVSCRQDEO-UHFFFAOYSA-N 362.248 4.701 0 40 FJAB Cn1ncc(C2CCC2)c1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 585109985 JWTZTIRYGROPTP-UHFFFAOYSA-N 372.881 4.717 0 40 FJAB c1ccc(C[C@@H](N[C@@H]2CCCn3ccnc32)c2nc3ccccc3s2)cc1 655774534 VOXFIQSLJALOMH-RTBURBONSA-N 374.513 4.901 0 40 FJAB Cc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 677600 VHPXBFBMAUGBAJ-UHFFFAOYSA-N 354.475 4.920 0 40 FJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C)CC1 854725 LXTAKHYZLNLUOP-UHFFFAOYSA-N 353.249 4.829 0 40 FJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4ccccc4)n3c2c1C 903136 OARQVVGWNBGGCZ-UHFFFAOYSA-N 361.470 4.783 0 40 FJAB O=C1C[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1cccc2ccccc12 2484055 OEWGIYYKUYPXEP-OAQYLSRUSA-N 366.420 4.737 0 40 FJAB CCn1nc(C)c2c(C(=O)OC)cc(-c3ccc(Cl)c(Cl)c3)nc21 2732237 UFAPKYPBZHZGOM-UHFFFAOYSA-N 364.232 4.520 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)c(F)cc1Cl 3311149 MVCFDTCLHXNWBZ-UHFFFAOYSA-N 350.796 4.861 0 40 FJAB CCOc1ccccc1C(=O)Nc1ncc(Cc2ccccc2F)s1 4538697 UJUYURGZEPNNCX-UHFFFAOYSA-N 356.422 4.524 0 40 FJAB O=C(Nc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1)C(F)(F)F 4688103 AQMGCURDEMYWET-UHFFFAOYSA-N 355.319 4.884 0 40 FJAB CCOc1ncccc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 6221306 JQKWICPGXCAGDQ-UHFFFAOYSA-N 367.474 4.781 0 40 FJAB Cc1cc(=O)oc2cc(OCc3nc4ccccc4s3)c(Cl)cc12 6365475 OPPPGXOBGRLMRI-UHFFFAOYSA-N 357.818 4.944 0 40 FJAB COc1cccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 6732784 RKEWAJYFVJADKD-UHFFFAOYSA-N 371.392 4.925 0 40 FJAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 6767573 UGXPIMVWZLBENT-UHFFFAOYSA-N 365.433 4.685 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)Cc1cccs1 6859590 HDKBZKMACXHWSQ-UHFFFAOYSA-N 364.470 4.984 0 40 FJAB Fc1ccccc1-c1n[nH]c(SCc2cc(-c3cccs3)on2)n1 7768278 XHNGLKRMTJNTPB-UHFFFAOYSA-N 358.423 4.620 0 40 FJAB O=C1CCCN1c1cccc(-c2csc(COc3ccccc3)n2)c1 8042382 JWJAQEYEAIUYDR-UHFFFAOYSA-N 350.443 4.516 0 40 FJAB Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 10156846 HVSDOGZTOSXIBK-KRWDZBQOSA-N 373.431 4.531 0 40 FJAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cccc(F)c3)cc2)CC1 12551730 AZYIRHJYFWYAHK-INIZCTEOSA-N 355.457 4.501 0 40 FJAB CC[C@@H](CO)Nc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 12763142 NXHDNNZUJXUDPI-AWEZNQCLSA-N 373.547 4.783 0 40 FJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1COc1ccccc1 12913501 MFWDTFKPKIVRPC-OAQYLSRUSA-N 359.425 4.519 0 40 FJAB Cc1sc2ncnc(NC[C@H](c3ccccc3Cl)N(C)C)c2c1C 13069915 VRMSDHJBEJHCGK-OAHLLOKOSA-N 360.914 4.676 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 13325027 XVEQNBDPLMQLSL-KRWDZBQOSA-N 367.493 4.676 0 40 FJAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccc2ccccc12 14199586 LZMUDVOCMPRXOH-LJQANCHMSA-N 365.502 4.860 0 40 FJAB CSc1ncccc1C(=O)Nc1cccc(C2SCCCS2)c1 15834077 AGFUFDXUENLCFV-UHFFFAOYSA-N 362.545 4.925 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c2cccnc12 15840829 FWHVYTUPVOXVJV-CYBMUJFWSA-N 370.836 4.693 0 40 FJAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c(OC)c1 15867406 MOMPKHSJTDELIE-UHFFFAOYSA-N 369.392 4.674 0 40 FJAB O[C@H](CNCc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 16477538 UHRUYXHKSMDWLY-OAQYLSRUSA-N 367.876 4.742 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20481275 VBYMMIUNBAHRQX-OAHLLOKOSA-N 372.896 4.833 0 40 FJAB CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)cc1 20671895 KELKIOJKMRRUIR-OAHLLOKOSA-N 361.445 4.780 0 40 FJAB O=C(CCCc1cccs1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 22926646 VPKVFOJZZZFVHF-UHFFFAOYSA-N 372.471 4.562 0 40 FJAB CCOc1ccc(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1 28229746 YPMAJBFTMSQIEG-UHFFFAOYSA-N 371.440 4.736 0 40 FJAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2nc3c(C)cccc3s2)o1 28304690 VFUDIGAZEFYMSM-UHFFFAOYSA-N 367.430 4.646 0 40 FJAB Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 30754736 PHJDUTCGDQDVPW-JTSKRJEESA-N 363.432 4.807 0 40 FJAB O=C(/C=C/c1ccc(OCc2ccncc2)cc1)Nc1ccc(F)c(F)c1 32153439 UWAHRXMPPZUZQS-FPYGCLRLSA-N 366.367 4.591 0 40 FJAB CC[C@H](C(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C)c1ccccc1 32610095 DUSGVEBCLCJQSP-NRFANRHFSA-N 361.489 4.989 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 32623546 IMFFSJZXZLUCBN-UHFFFAOYSA-N 370.905 4.898 0 40 FJAB COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 35325452 XNQRITQFCMZCIB-OAHLLOKOSA-N 370.861 4.946 0 40 FJAB C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2c(=O)[nH]1 39583736 GUZHEFYIJCCKTH-OAHLLOKOSA-N 370.408 4.508 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1 44843545 FVFAMIGAVYTROY-QFIPXVFZSA-N 365.448 4.885 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212016 OWPCHFRZSQVAFZ-GOSISDBHSA-N 354.450 4.733 0 40 FJAB O=C(Nc1cc(F)ccc1F)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 79052560 AVYJTSYFYOTADQ-YLJYHZDGSA-N 374.431 4.865 0 40 FJAB FC(F)(F)c1cnc(NCCCn2cnc3ccccc32)c(Cl)c1 84605677 XTADCYIGIHOZMG-UHFFFAOYSA-N 354.763 4.606 0 40 FJAB CC1(C)C[C@@H]2C[C@](C)(CN2c2ncnc3ccc(Br)cc23)C1 100645477 NNEVMBDBIWBOIP-ACJLOTCBSA-N 360.299 4.797 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1CCc1ccccc1 219005001 DQVNMLXUSNZQSU-HXUWFJFHSA-N 373.496 4.978 0 40 FJAB CCOc1cccc(CNC(=O)CCCSc2ccc(Cl)cc2)c1 222692621 VWGVHZIGPNFTNO-UHFFFAOYSA-N 363.910 4.927 0 40 FJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1Cl 223089567 PWQTWEMYOOLATI-ZDUSSCGKSA-N 374.868 4.519 0 40 FJAB CCOc1ccc(C(=O)NC)cc1COc1ccc(-c2ccccc2)cc1 224550494 NMPVSPUBLMOOGI-UHFFFAOYSA-N 361.441 4.691 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1 224958737 OHKQBJURXDJQHN-UHFFFAOYSA-N 363.505 4.920 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3F)ccc21 225178849 ALLAVJSIKHVHPA-UHFFFAOYSA-N 364.829 4.689 0 40 FJAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225569106 HSGUJQKLDBNCAE-UHFFFAOYSA-N 364.461 4.671 0 40 FJAB Cc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)nc1 225610890 YJRNCZWHTSLOTB-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C(C)C)cc1 225785276 UDWJYFWWBUXQKJ-HNNXBMFYSA-N 358.507 4.573 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCC(C)CC1 225912598 AYHNUGPVIKBGBJ-UHFFFAOYSA-N 356.466 4.557 0 40 FJAB CN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 226281198 YXDMVSJFSJIEQD-UHFFFAOYSA-N 354.715 4.673 0 40 FJAB O=C(O)c1cc(Br)c(OCc2cccc3ccccc23)cc1O 226346706 CQNGPFCIFGJVOP-UHFFFAOYSA-N 373.202 4.585 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)C1 260449347 ARADLAYSKOKUOL-VQTJNVASSA-N 364.533 4.670 0 40 FJAB COc1ccccc1C1(C(=O)N[C@@H](c2ccsc2)c2cccs2)CC1 390826800 PRFCEBDXBGBGAH-SFHVURJKSA-N 369.511 4.756 0 40 FJAB CCOc1cc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 408605052 WPJOMFZTVUQJKA-CSKARUKUSA-N 365.351 4.765 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1 408693615 BAJQFZDFFOOMOX-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB C[C@H](c1ccccc1)N1C[C@@H](c2nc(C3CCCCCC3)no2)CC1=O 647695053 GSUIDQIERQRJAA-QAPCUYQASA-N 353.466 4.585 0 40 FJAB COc1ccc(-c2cc(CNc3nc4cc(C)ccc4s3)on2)cc1 1612592263 XWSYWWCXOCVJNT-UHFFFAOYSA-N 351.431 4.880 0 40 FJAB O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1Oc1ccccc1 1646420389 PPUHJILOGWNGTL-PXNSSMCTSA-N 350.462 4.682 0 40 FJAB CCCN1CCCc2cc([C@@H]3OC(C)(C)[C@@H]4C[C@H](O)[C@@H](C)[C@@H]3C4)ccc21 2037844592 YWIFDZPILRIXSM-GXGSBUKKSA-N 357.538 4.722 0 40 FJAB Cc1cc(C)c2cc(C)c(SCC(=O)NCCc3ccccc3)nc2c1 932958 XXYHCJIOHNKWPT-UHFFFAOYSA-N 364.514 4.611 0 40 FJAB Cc1ccc(OC(=O)c2cccc(Cl)c2)c(-n2nc3ccccc3n2)c1 1267195 XSNRGGNTDDUSID-UHFFFAOYSA-N 363.804 4.602 0 40 FJAB CCN(CC)CCOC(=O)C(c1ccccc1)(c1ccccc1)C(C)C 1653058 UQBXFGGAJJFSGI-UHFFFAOYSA-N 353.506 4.514 0 40 FJAB Cc1c(Cl)ccc2c(C(=O)CN)cc(Oc3ccc(Cl)cc3)nc12 1671659 JDRPHLKNGCSHDF-UHFFFAOYSA-N 361.228 4.784 0 40 FJAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 1788858 CPFTUELPQMZQML-UHFFFAOYSA-N 356.516 4.746 0 40 FJAB C[C@@]1(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl 3270251 GTGVWYSXYYMSIO-AEFFLSMTSA-N 363.240 4.738 0 40 FJAB O=C(Nc1c(Cl)cccc1Cl)OC[C@@H]1CCCN2CCCC[C@H]12 4029314 IXTGJEBIXNXKRT-SWLSCSKDSA-N 357.281 4.806 0 40 FJAB biogenic COc1ccc(Cl)cc1NC(=O)CSc1cn(C)c2ccccc12 4060485 HRTCDQBCQDDGRQ-UHFFFAOYSA-N 360.866 4.571 0 40 FJAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1Cl 4077198 CCBROPYZCBEXHU-UHFFFAOYSA-N 355.850 4.525 0 40 FJAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccccc3Cl)[nH]2)cc1 4315443 OYDQUJBHLDCOFR-UHFFFAOYSA-N 371.893 4.561 0 40 FJAB O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1ccccc1F 6809657 VPERHNMHALIRBN-UHFFFAOYSA-N 366.369 4.880 0 40 FJAB Cc1cccc(Nc2nnc(Sc3ncnc4sccc34)s2)c1 7272050 WTFDGWJWHOKLNV-UHFFFAOYSA-N 357.489 4.746 0 40 FJAB Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 7739118 QKWOBSRDOOTJLM-NRFANRHFSA-N 351.471 4.650 0 40 FJAB O=C(NCc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1 7916269 KZEUBZZJORJWPZ-UHFFFAOYSA-N 373.481 4.590 0 40 FJAB Cc1cc(C(=O)CCC(=O)N[C@@H]2CCSc3ccccc32)c(C)s1 7991093 MKSHOVSNSZHXOA-MRXNPFEDSA-N 359.516 4.681 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(C)C 8480129 ADUYAAHUJRQROK-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB Cc1cc(NC(=O)CSc2cc(C)c3cccc(C(C)C)c3n2)no1 12538133 KRLQKNPQWKGJBO-UHFFFAOYSA-N 355.463 4.694 0 40 FJAB Cc1ccc(-c2nn(CN3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1 12772878 JEAHLNITZYSUSV-GOSISDBHSA-N 350.491 4.711 0 40 FJAB CCc1ccc(N(C(=O)c2cnccn2)c2nc3ccccc3s2)cc1 13007026 AKNNMHPFCXHORN-UHFFFAOYSA-N 360.442 4.627 0 40 FJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C)c(C)c1 13568046 RNLUZQOBVBMEQH-UHFFFAOYSA-N 373.412 4.768 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 14209162 GHMPYXCMJKQBBX-UHFFFAOYSA-N 362.216 4.644 0 40 FJAB CC(C)(CNC(=S)Nc1ccc(SC(F)F)cc1)N1CCCCC1 16240520 CHWBUTOLBNUXAE-UHFFFAOYSA-N 373.538 4.552 0 40 FJAB CCCCCC(=O)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 22060198 QHOPMOMDTCSQMX-UHFFFAOYSA-N 352.386 4.651 0 40 FJAB in-vitro CN(Cc1ccccc1NC(=O)c1ccc(Cl)nc1)C1CCCCC1 26129369 MCYZLFCXYMZNQG-UHFFFAOYSA-N 357.885 4.752 0 40 FJAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 30850112 WXZLXZRHVHQEBQ-MRXNPFEDSA-N 365.454 4.619 0 40 FJAB Fc1cc(COc2ccc(Br)cc2F)c2ncccc2c1 31608302 POKPPQQKHSKCJD-UHFFFAOYSA-N 350.162 4.855 0 40 FJAB C[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)n1cc(Br)cn1 32610555 CSVZNQRRMSZIFW-ZDUSSCGKSA-N 370.250 4.512 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 32843946 VIIXZUZQPAOSLX-UHFFFAOYSA-N 366.486 4.994 0 40 FJAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 35586223 HCVMUEUUJBNNAQ-OAHLLOKOSA-N 358.397 4.901 0 40 FJAB Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(Br)c1 36738517 PIKNCNAZBBJOQE-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB O=C(C1CC1)N1CCC(NCc2ccc(-c3cccc(Cl)c3)s2)CC1 42209277 LZUVFCSDJWLUIE-UHFFFAOYSA-N 374.937 4.559 0 40 FJAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317011 SSMKGHIPGXPGIQ-UHFFFAOYSA-N 370.246 4.948 0 40 FJAB O=C(Cc1cccc(F)c1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 58364707 FLNFZXISDLLDNN-LJQANCHMSA-N 359.853 4.989 0 40 FJAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1C 67295368 LMCJEOIDHXLISR-BZZOAKBMSA-N 372.424 4.805 0 40 FJAB FC(F)(F)COc1ccc(CNc2cc3ccccc3c(Cl)n2)cn1 71953849 TYYKAQRPQZAUHV-UHFFFAOYSA-N 367.758 4.836 0 40 FJAB CC(C)n1c([C@@H]2CCCN2C(=O)c2cccc(F)c2F)nc2ccccc21 72306560 FKLRYVFIBWTMCJ-SFHVURJKSA-N 369.415 4.873 0 40 FJAB Cc1csc(N(C(=O)C[C@@H]2OCCc3ccsc32)c2ccccc2)n1 89705721 KQFXXGWSSHZGHR-INIZCTEOSA-N 370.499 4.882 0 40 FJAB CCOC(=O)[C@@H](C)Oc1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1 91695601 VTRLBJUAZSCSGJ-SNVBAGLBSA-N 373.758 4.751 0 40 FJAB CC[C@@](C)(NC(=O)Nc1ccc(F)cc1-n1cccc1)c1nccs1 95466959 BYIPIENZYNWRFR-GOSISDBHSA-N 358.442 4.520 0 40 FJAB COc1cccc(-c2nc(C)c(C(=O)Nc3cccc4[nH]ccc34)s2)c1 95480459 MOSSFSHUPIFAQZ-UHFFFAOYSA-N 363.442 4.861 0 40 FJAB CCOc1ccc2[nH]c3c(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2c1 101110217 IEHHAKLIOWSHEN-RCDICMHDSA-N 364.493 4.915 0 40 FJAB CCOc1ccccc1CNC(=O)c1ccccc1CCc1ccccc1 216241875 QNOZXCPNUJMDCI-UHFFFAOYSA-N 359.469 4.801 0 40 FJAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222933988 XDDHNBXVOMQXEC-OAQYLSRUSA-N 369.505 4.857 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=S)Nc3ccc(F)cc3)ccc21 225182537 GTUOXQAPFAHQQA-UHFFFAOYSA-N 361.467 4.592 0 40 FJAB O=C(CCc1c(Cl)cccc1Cl)NCCOc1ccccc1Cl 225363368 PSAHQAAMOCUFGH-UHFFFAOYSA-N 372.679 4.775 0 40 FJAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)cc(C)c1OC(C)C 225562407 BLJCEKPVOVZNHN-UHFFFAOYSA-N 367.489 4.778 0 40 FJAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408997235 DBVPOPSITIIFRG-HXUWFJFHSA-N 366.461 4.549 0 40 FJAB COc1c(C)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1C 409007058 NGLARXFNBFOFNJ-AQTBWJFISA-N 367.470 4.591 0 40 FJAB CCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 409095182 HIXWLXIZKCAEBK-UHFFFAOYSA-N 371.893 4.984 0 40 FJAB Cc1ccc(O)c(CN[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 537657019 NLEAKMOYMMJHRD-QGZVFWFLSA-N 352.400 4.991 0 40 FJAB COc1ccc(CCNC(=O)NCc2cc(-c3ccsc3)cs2)cc1 1775970652 AOKUJFFHOXKJHG-UHFFFAOYSA-N 372.515 4.527 0 40 FJAB c1cc2c(c3c1CN(C1CCCCC1)CO3)OCN(C1CCCCC1)C2 1679800 DFRAKBCRUYUFNT-UHFFFAOYSA-N 356.510 4.656 0 40 FJAB CC1(C)c2ssc(=O)c2-c2ccccc2N1C(=O)c1cccc(F)c1 2207688 BVQVOILGFUKDFS-UHFFFAOYSA-N 371.458 4.871 0 40 FJAB CCOC(=O)CCCCCCC(=O)c1ccc(Br)cc1C 2518027 BYJIZWBIRHYFPJ-UHFFFAOYSA-N 355.272 4.844 0 40 FJAB COc1ccc(-c2nnc(SCCOc3c(C)cccc3C)o2)cc1 3436132 FDZQOXMUCXQKJN-UHFFFAOYSA-N 356.447 4.533 0 40 FJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)cc1 5147300 MHZCDDRVJISLIN-UHFFFAOYSA-N 369.396 4.522 0 40 FJAB Cc1[nH]c(SCc2nnc(-c3ccccc3)o2)nc1Cc1ccccc1 5312412 MDIAASVWWNXYKU-UHFFFAOYSA-N 362.458 4.651 0 40 FJAB Cc1ccc(Cn2c([C@@H](C)NC(=O)c3ccccc3)nc3ccccc32)cc1 5452082 REDMOHMXLCKZIB-GOSISDBHSA-N 369.468 4.884 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 6274144 RKXYCEKIHSDBAH-UHFFFAOYSA-N 365.429 4.879 0 40 FJAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 6343357 BBEOGYVNWQVWMI-JTQLQIEISA-N 372.184 4.959 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6477070 ZFYRIFDLZBMMIR-UHFFFAOYSA-N 367.257 4.929 0 40 FJAB Cc1c(Cl)cnc(NC(=O)CSc2ccc(F)c(F)c2)c1Cl 6849295 LKTDUEXHDDADQD-UHFFFAOYSA-N 363.216 4.706 0 40 FJAB CCc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 6882386 XGKPRUCEWBXMJZ-LJQANCHMSA-N 354.837 4.718 0 40 FJAB CCOC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)c1 7995970 GHDGMXNDIYZHBL-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(Cc2ccc(F)cc2)s1 8766657 BJCQNRQDJGJGMJ-UHFFFAOYSA-N 362.817 4.565 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(Cl)cc(Cl)c1 10286515 YFHAMFCYVLFTDA-UHFFFAOYSA-N 351.258 4.875 0 40 FJAB C[C@@H](NCc1c[nH]nc1-c1cccs1)c1ccccc1Br 12531657 LDYUMPFAAROPIT-LLVKDONJSA-N 362.296 4.752 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 12602211 HIIMVKVZZAEENL-CABCVRRESA-N 372.490 4.554 0 40 FJAB O=C(N[C@@H]1CCSc2ccccc21)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13100635 XIDJFIODDDAPIF-LQVMFGPISA-N 361.938 4.918 0 40 FJAB Cc1nc(COc2cccc(/C=C/C(=O)NC3CCC(C)CC3)c2)cs1 14348015 XGFUPIPEWBUCDL-DHZHZOJOSA-N 370.518 4.739 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1F 15578105 OHLMLAYYYAEKFU-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCCc2ccccc21 16780515 UMLCDARSBRZXFG-QFIPXVFZSA-N 359.469 4.546 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 20611188 VOXAAEAOKYXGFX-UHFFFAOYSA-N 374.419 4.683 0 40 FJAB CCCCn1nc(NC(=O)c2ccccc2)c2cc3cc(C)ccc3nc21 21596589 GSBOZNBITUIGTI-UHFFFAOYSA-N 358.445 4.945 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(C(F)(F)F)c1 21900786 RKFHLOYJRJZSPW-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2cccs2)no1 22462006 BDQSQYCZTOZKSN-MDZDMXLPSA-N 363.398 4.710 0 40 FJAB CCCC[C@H](CC)CNC(=S)N1CC=C(c2c[nH]c3ncccc23)CC1 24771799 CYPMDDGDLPLXCY-INIZCTEOSA-N 370.566 4.743 0 40 FJAB Cc1ccc(C(=O)c2c(N)c(-c3nc4ccccc4[nH]3)c3ccccn23)cc1 31848415 SJGDOVMJCGCEBX-UHFFFAOYSA-N 366.424 4.604 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc(Cl)c(OC)c(Cl)c1 32796622 QKRJHECVRYDEAG-NSHDSACASA-N 368.260 4.844 0 40 FJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 45888586 VFWQAIAGYBMFNC-UHFFFAOYSA-N 368.506 4.749 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C(C)C)cc2)c1 52410789 FDTLEVJCUMANAW-UHFFFAOYSA-N 374.868 4.829 0 40 FJAB Cc1cc(NC(=O)CSC2=Nc3ccccc3CS2)n(C(C)(C)C)n1 53615822 KIAGEERAKCBDAW-UHFFFAOYSA-N 374.535 4.553 0 40 FJAB Cc1ccc(CNc2ncc(-c3ccccc3F)c(-c3nccn3C)n2)cc1 57775421 MERNTLZHLVHJNP-UHFFFAOYSA-N 373.435 4.604 0 40 FJAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCCc2cc(F)c(F)cc21 58457162 UFIXPPYPAHEFSH-UHFFFAOYSA-N 373.790 4.601 0 40 FJAB O=C(Cc1ccccc1F)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 65565129 JICOFHUBFOZJEF-IBGZPJMESA-N 359.853 4.989 0 40 FJAB Cn1c(C(=O)Nc2cnccc2Oc2ccccc2)cc(Cl)c1Cl 65607158 XWLLVWPMVKPZRS-UHFFFAOYSA-N 362.216 4.772 0 40 FJAB O=C(C=C1CCCCC1)N(Cc1ccccc1)C[C@H](O)c1cccs1 79072201 KUWZABIPXJLDNK-IBGZPJMESA-N 355.503 4.701 0 40 FJAB Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 84235589 LUMJTLWADOUQOD-SFHVURJKSA-N 350.487 4.901 0 40 FJAB Brc1cc(Br)c2nc(Br)sc2c1 95950020 CKLZZGCVGHJWPX-UHFFFAOYSA-N 371.879 4.584 0 40 FJAB Brc1cccc(CNCc2cccc(-c3ccncc3)c2)c1 95962429 BFMMYMRONFXDEX-UHFFFAOYSA-N 353.263 4.801 0 40 FJAB CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 101663149 OOPDHKDZSHGNLI-INIZCTEOSA-N 354.866 4.709 0 40 FJAB Cc1c(CO)c2ccccc2n1C(=O)c1cccc(OCc2ccccc2)c1 216941670 BBFOGBMIGXZJIH-UHFFFAOYSA-N 371.436 4.710 0 40 FJAB Cc1cccc(C)c1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219450480 CXEPWGQALSQJEA-UHFFFAOYSA-N 358.441 4.836 0 40 FJAB COC(=O)c1cn(C(=O)CSc2ccc(Cl)cc2)c2ccccc12 222569637 WHCXNFMMFTVLKG-UHFFFAOYSA-N 359.834 4.514 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)NCc1cccc2ccccc12 222858745 GUDBIUJBIRRKBO-UHFFFAOYSA-N 353.849 4.969 0 40 FJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222977902 FVMKIUWCEPCPIW-FOIQADDNSA-N 355.453 4.739 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COC 224685122 SHMMPJCJMCGJEI-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(-c2ccsc2)cc1 225610506 ADHGMHBUHXDAEJ-LJQANCHMSA-N 371.889 4.922 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 227145452 LCLOKTXPURRLGB-VIFPVBQESA-N 373.667 4.943 0 40 FJAB Cc1nc2ccc(OC(=S)N3C[C@H]4C[C@H]3CC(C)(C)[C@@H]4C)cc2nc1C 408734883 GQHAJHQOWZJKBS-WQVCFCJDSA-N 369.534 4.667 0 40 FJAB Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 585114332 VQHUTKAUTMOVGW-UHFFFAOYSA-N 372.881 4.717 0 40 FJAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(Cl)c3)n2)cc1 1164600299 ZCAXXSAFZMCRRS-UHFFFAOYSA-N 357.866 4.663 0 40 FJAB Cc1ccc([S@](=O)c2ccccc2C2=N[C@@H](c3ccccc3)CO2)cc1 1988182071 DAFPBDIGMMUDMU-IBVKSMDESA-N 361.466 4.680 0 40 FJAB COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4F)n3)cc2c1 856346 YRAMTQDMLCBBHN-UHFFFAOYSA-N 368.389 4.808 0 40 FJAB CCCCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccccc3nc21 2412961 RMOVUUSNCHGDQM-UHFFFAOYSA-N 358.445 4.945 0 40 FJAB N#Cc1c(/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)sc2c1CCC2 3030704 SFWJAJXKEPKOHR-SSDVNMTOSA-N 362.410 4.817 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Oc2ccccc2)cc1 3166036 VRMHBEDKNIUYEI-QGZVFWFLSA-N 359.425 4.836 0 40 FJAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccccc2)s1 3360928 FPTAYIVZLPAKEZ-UHFFFAOYSA-N 371.487 4.655 0 40 FJAB CCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 3431454 XPIRYWYPEFJERJ-MRXNPFEDSA-N 369.461 4.612 0 40 FJAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3441254 YDKXADZAEAAGFI-LBPRGKRZSA-N 368.260 4.567 0 40 FJAB COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)o3)C2)c(OC)c1 4420507 BCWCQTLUNARZBP-FQEVSTJZSA-N 362.429 4.961 0 40 FJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1Cl 6235724 RZQJIXWXFYNWFM-UHFFFAOYSA-N 361.228 4.708 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1C 6331492 CCGUFMDVVDYLEB-UHFFFAOYSA-N 357.353 4.504 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2ccccc2n1 7212866 WXLJHBZVRZMLSY-UHFFFAOYSA-N 351.715 4.554 0 40 FJAB CCOC(=O)Cc1ccc(NCCC(=O)c2ccc(C(C)(C)C)cc2)cc1 8783568 LWSSROGUQDKDMG-UHFFFAOYSA-N 367.489 4.775 0 40 FJAB O=C(NCc1nc2ccccc2n1CCC1CCCCC1)c1ccco1 11667201 PRNZWGBXMCIMHK-UHFFFAOYSA-N 351.450 4.530 0 40 FJAB CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)c1 11917277 OGUASRAWFKJTDS-FQEVSTJZSA-N 374.912 4.552 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2cc(-c3ccccc3)ncn2)c1 12016805 ZXIRIMQOOQLWKL-MRXNPFEDSA-N 363.486 4.880 0 40 FJAB COc1cccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)c1 12631765 CGZMAGJYQAYAHD-ZDUSSCGKSA-N 367.474 4.566 0 40 FJAB Cc1csc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)n1 12859998 NLBXVLBFWOVYQR-UHFFFAOYSA-N 371.849 4.610 0 40 FJAB O=C(CCSc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 12917297 MPWIJVCXAFUKOG-HNNXBMFYSA-N 354.500 4.582 0 40 FJAB C[C@H](SCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Cl 12918082 WCZMREBSLKRVFW-LBPRGKRZSA-N 363.866 4.544 0 40 FJAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 13843205 YNHHVAWDBCJWFL-RUDMXATFSA-N 371.849 4.560 0 40 FJAB COc1ccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)cc1 14291786 APKGCIRHOVBPSR-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB Cc1cccc(OC2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)c1 19660749 SZTOCJBEVCOXJK-UHFFFAOYSA-N 360.457 4.535 0 40 FJAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)C(C)C)CC2)n1 19691647 XHAQVFJHSDZLLO-UHFFFAOYSA-N 370.924 4.996 0 40 FJAB Brc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)o2)cc1 20719574 PCHCLKJGHNWILQ-UHFFFAOYSA-N 368.190 4.821 0 40 FJAB O=C(NCc1ccc(F)cc1)c1cccc(OCc2ccccc2Cl)c1 22258241 HRNWSKTXHZGRQV-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB CCOc1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 22517044 SCFMYZWGJJOOFJ-UHFFFAOYSA-N 359.469 4.924 0 40 FJAB CCC[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 25380762 GGUZNMWDBFDWPA-UIHBLGAPSA-N 355.522 4.838 0 40 FJAB Clc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222597 RLLYQTPCEJTSPT-HXUWFJFHSA-N 351.881 4.752 0 40 FJAB C[C@@H](NC(=O)CSc1cnc2ccccc2n1)c1cccc2ccccc12 27544519 HTNXGTZOUVZNMP-OAHLLOKOSA-N 373.481 4.753 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1 30754410 IFYSXTIMVHYLGA-SFHVURJKSA-N 363.910 4.547 0 40 FJAB Cc1cc(Br)ccc1SCC(=O)N[C@@H](C)c1cccs1 31592401 AWFMFDGVOQHIPS-NSHDSACASA-N 370.337 4.789 0 40 FJAB O=C(c1cccc(Br)c1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32097196 FYPMMDCUQNSHGA-UHFFFAOYSA-N 369.262 4.735 0 40 FJAB O=C(CCCC(=O)c1cccs1)Nc1ccc(Cl)c2ncccc12 32909756 PNWNWLXCAYZGNQ-UHFFFAOYSA-N 358.850 4.941 0 40 FJAB CCN(CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 48355902 RDWOWXNVWVFZKG-GOSISDBHSA-N 364.411 4.518 0 40 FJAB Cc1ccc(C)c(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 59457396 QLJFOVZLLDXYPA-LICLKQGHSA-N 356.422 4.548 0 40 FJAB Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(C)n(C(C)C)c3C)[nH]c2c1 61461675 NHUOVKJXAFEAQA-HXUWFJFHSA-N 364.493 4.848 0 40 FJAB COc1ccc2c(c1)CCC[C@@]2(O)c1ccc(OCc2ccccc2)cc1 65742781 SEAUMVPUGNCROD-XMMPIXPASA-N 360.453 4.846 0 40 FJAB in-vitro Cc1nc(NC(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)oc1C 65788188 USARXAKLZUCBHD-UHFFFAOYSA-N 361.405 4.583 0 40 FJAB C[C@@H](CC(=O)Nc1ccccc1)N[C@H](C)c1cccc(Br)c1 78282218 LYLIMNXRRNEDBX-UONOGXRCSA-N 361.283 4.517 0 40 FJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[C@@H](C(F)(F)F)C1 84489879 ZJVCHSMBZDDITH-LLVKDONJSA-N 353.344 4.511 0 40 FJAB Fc1ccc(/N=c2/scc(-c3ccccc3F)n2C[C@H]2CCCO2)cc1 102962665 VPODHYLLGHUTSJ-MLVIZHJXSA-N 372.440 4.906 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 219068735 FAKAKKCUKORHKW-SFHVURJKSA-N 373.452 4.940 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 224058368 RDDYGTZCGFHDHW-UHFFFAOYSA-N 353.853 4.903 0 40 FJAB CCOc1ccccc1CCCNC(=S)Nc1cccc(OC(C)C)c1 225397741 YXIKAIVEYYKJGQ-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB CCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225567954 HEELAEMLKSECGA-UHFFFAOYSA-N 367.489 4.697 0 40 FJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 225596017 WXFHHDKCQJXIMJ-UHFFFAOYSA-N 357.406 4.727 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1 225751898 WOKFXJAQRQYHNV-HXUWFJFHSA-N 359.897 4.939 0 40 FJAB NC1=N[C@H]([C@@H](O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)S1 253569768 MTLLXUNOCJBIAC-QHAWAJNXSA-N 360.482 4.558 0 40 FJAB CCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2nc1Cl 257315337 VAWGFEUAJXSZJX-UHFFFAOYSA-N 356.901 4.871 0 40 FJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc(-c2ccccc2)on1 390827500 YSVYWRVRTTWGSY-SFHVURJKSA-N 366.467 4.984 0 40 FJAB CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620247 LGBIYLIAAYHRBF-CQSZACIVSA-N 368.864 4.747 0 40 FJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 408628134 PYJFUNAGYPENRN-INIZCTEOSA-N 367.518 4.501 0 40 FJAB COc1ccc2c(c1)CCN=C2C(=O)c1ccc(OCc2ccccc2)cc1 651207 YNUQUABCRNQTBC-UHFFFAOYSA-N 371.436 4.502 0 40 FJAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(F)cc1 816693 VQVQNDPMOCIMJV-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccs3)c2)cc1 993012 IZCFBDJKEDIHTE-OAHLLOKOSA-N 365.454 4.959 0 40 FJAB c1nc(SCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCCC3 1100885 UAKXNZNZNPYTLV-UHFFFAOYSA-N 370.499 4.981 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 1305356 UELYQUVUKITFSC-UHFFFAOYSA-N 373.412 4.524 0 40 FJAB CCCC[C@@H](NC(C)=O)c1nc2ccccc2n1Cc1ccccc1F 1927008 MKANPHSUMPLGFY-LJQANCHMSA-N 353.441 4.591 0 40 FJAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)CC)C2 2084113 MZOBHMFXRDMHSN-ZDUSSCGKSA-N 364.555 4.907 0 40 FJAB CC[C@]1(C)Cc2c(sc3nc(SCCC(C)C)nc(N)c23)CO1 2299888 NTJBBBGJUMLFMY-QGZVFWFLSA-N 351.541 4.653 0 40 FJAB O=c1oc2c3c(ccc2c2c1CCCCC2)OCN(c1ccc(F)cc1)C3 2405919 SEOHTDUKRQPXSI-UHFFFAOYSA-N 365.404 4.558 0 40 FJAB CCCCc1ccc(N[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 3647953 IYVGOOJRPLDXCN-GOSISDBHSA-N 354.475 4.976 0 40 FJAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cn(C)c4ccccc24)N3)C1 4125400 YQFYSKHJHLGLSP-ADLMAVQZSA-N 351.475 4.794 0 40 FJAB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 6470674 HOKNZZVRHMJJBY-GZTJUZNOSA-N 373.861 4.975 0 40 FJAB COc1ccc(OC)c(NC(=S)Nc2ccccc2C(F)(F)F)c1 6952276 FCVBZBWVEGUGMT-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928900 CSDYVPHQFYHRGY-GJZGRUSLSA-N 371.864 4.812 0 40 FJAB Cc1ccccc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071598 JPBKHSMGYLJIEK-UHFFFAOYSA-N 370.246 4.948 0 40 FJAB Cc1nc2cc(NC(=O)COc3ccccc3-c3ccccc3)ccc2o1 8269271 PPTLWIIYHJYDAX-UHFFFAOYSA-N 358.397 4.821 0 40 FJAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)C(C)C)[nH]c12 8617315 YEAOZBXFYVHWPX-UHFFFAOYSA-N 366.486 4.723 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9346954 XGIYWGWJJRFEKS-CYBMUJFWSA-N 355.488 4.633 0 40 FJAB Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c1 9708231 AZZKBNSELXUVMG-HXUWFJFHSA-N 362.498 4.590 0 40 FJAB C[C@@H](Sc1nnc(-c2cccs2)o1)c1nnc(-c2cccs2)o1 9834240 NEEMFYQZMVMBDD-MRVPVSSYSA-N 362.461 4.763 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1C 11692513 WQMJUYUMSNKPJA-FQEVSTJZSA-N 352.478 4.956 0 40 FJAB CCc1noc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)n1 12740485 RZKUNLNDWLXGDR-UHFFFAOYSA-N 370.912 4.554 0 40 FJAB Cc1nc(CCNc2ncnc3sc(-c4ccccc4)cc23)cs1 12845656 CQJVAQWELKWGPV-UHFFFAOYSA-N 352.488 4.778 0 40 FJAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cs1 12882761 FGEREIDEZINVRR-OAHLLOKOSA-N 366.486 4.830 0 40 FJAB C[C@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1 13597212 MCSTWWVLDYGQNW-HNNXBMFYSA-N 361.470 4.637 0 40 FJAB COc1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)cc1 13956892 KOSPEUJKCYPILA-UHFFFAOYSA-N 358.426 4.682 0 40 FJAB COc1ccc(CN(Cc2ccncc2)CC2CCCCC2)cc1OC 13989881 GLJALXZUNULHFX-UHFFFAOYSA-N 354.494 4.681 0 40 FJAB O=C(Nc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 14140640 BDJVIFHTDGLIIZ-ZDUSSCGKSA-N 355.438 4.847 0 40 FJAB CCOc1c(Cl)cc(C(=O)N2CC=C(c3ccccc3)CC2)cc1OC 15949554 FEAPYKZHXCPCDC-UHFFFAOYSA-N 371.864 4.677 0 40 FJAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(-c2ccccc2)cc1 16968928 CDIOEXQAPGKRAR-UHFFFAOYSA-N 371.480 4.832 0 40 FJAB Cc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3ccccc3)cn12 16992647 CTPGECIRGLPHRK-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB Cc1ccc(CNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 17041616 FLMSMZUJYZJUKO-UHFFFAOYSA-N 363.852 4.698 0 40 FJAB O=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ccc(Cl)cc1 17173093 YPXARVJFHQHVDU-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCCCCC1 17321004 TWGZBTIHEUMSPC-UHFFFAOYSA-N 365.502 4.871 0 40 FJAB Clc1ccccc1CNc1ncc(-c2ccncc2)c([C@H]2CCCO2)n1 19349593 OTJPRGYIAYOSJW-GOSISDBHSA-N 366.852 4.656 0 40 FJAB COc1ccc(-n2nc(Nc3ccc(F)cc3)c3c2C[C@@H](C)CC3=O)cc1 20796910 ZKCXZJBDOMRWNI-CYBMUJFWSA-N 365.408 4.529 0 40 FJAB COC(=O)c1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 22057873 LAPCBEFVTNSDFY-FQEVSTJZSA-N 369.505 4.820 0 40 FJAB in-vitro O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccccc1Cl 27662581 RUQUGCKFRZBUJA-QGZVFWFLSA-N 362.926 4.749 0 40 FJAB Fc1ccc([C@H]2CN(Cc3ncc(-c4ccc(Cl)cc4)o3)CCO2)cc1 29657535 QAVUDKGEDUOWGV-LJQANCHMSA-N 372.827 4.708 0 40 FJAB Cc1cc(NC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)no1 30514555 ZIDMSXFTFOGWFT-QGZVFWFLSA-N 360.385 4.733 0 40 FJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1N1CCCC1 30615201 VUBUFOLOWYZULT-UHFFFAOYSA-N 353.447 4.564 0 40 FJAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)s1 31685451 BABIQRUVXSLBSS-UHFFFAOYSA-N 369.471 4.871 0 40 FJAB Cc1nc2cc(NC(=O)CCCc3ncc(-c4ccccc4)o3)ccc2o1 32924467 VYQWTLFJEOBSOD-UHFFFAOYSA-N 361.401 4.753 0 40 FJAB CCOc1ccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 44902589 JDNDKILWOHFJGH-GOSISDBHSA-N 363.910 4.926 0 40 FJAB c1ccc(-n2cc(-c3cnn(Cc4cccc5ccccc45)c3)cn2)cc1 49581244 AKBKJLOWKDOSNP-UHFFFAOYSA-N 350.425 4.937 0 40 FJAB CCN(C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)[C@H](C)C(C)C 58168389 WDSYTSJJWSMJNI-CXAGYDPISA-N 354.441 4.741 0 40 FJAB O=c1c2sccc2nc(SCc2ccc(F)cc2)n1Cc1ccco1 67323726 SXOVOLIVPBWNMK-UHFFFAOYSA-N 372.446 4.531 0 40 FJAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(Cl)cc1C 72414369 WYXSRVYKZLEXKX-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB Cc1ccccc1NC(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165938 OZOFENMPNWJVIX-ROUUACIJSA-N 367.449 4.676 0 40 FJAB Clc1cccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)c1 80346419 FSEBKILLNTVKJX-UHFFFAOYSA-N 370.909 4.974 0 40 FJAB CO[C@H](CNC(=O)c1ccc(-c2ccsc2)cc1)c1cccc(F)c1 96388344 HQYOOCUZQGFROO-LJQANCHMSA-N 355.434 4.672 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C 219070439 FTPRXURCXMRKFL-IBGZPJMESA-N 369.505 4.609 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219317726 UXHGARIBDQPSMP-WOJBJXKFSA-N 367.489 4.879 0 40 FJAB C[Si](C)(C)c1cc(C(F)(F)F)c([Si](C)(C)C)cc1C(F)(F)F 219790818 NETNWGYKQJTZEE-UHFFFAOYSA-N 358.474 4.815 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)ccc1SC 223434075 SKHFCSOBGMYNDK-UHFFFAOYSA-N 355.912 4.734 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(CC)cc3)o2)cc1 224856936 BJVFIGMNXMGZHZ-UHFFFAOYSA-N 364.445 4.874 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225086213 FJJXFRIRAAWFSM-QGZVFWFLSA-N 353.245 4.993 0 40 FJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCOc1ccccc1Cl 225339551 PDERREPENCYCHY-UHFFFAOYSA-N 372.679 4.775 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225406840 XRLDJOXWSAWVLG-CQSZACIVSA-N 370.518 4.818 0 40 FJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2Br)cc1 225774072 VGOULRMDICZFMR-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1 408561948 LXTKPVIHMWWLHY-VZCXRCSSSA-N 356.878 4.939 0 40 FJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(OC)cc2)cc1 408581814 ZMURMEGUBAWWIS-UHFFFAOYSA-N 352.459 4.942 0 40 FJAB Cc1sc(NC(=O)CSc2ccc(F)cc2)nc1-c1ccccc1 409175902 DJLCNDSTOIMDAC-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)c1ccccc1 409224206 KEELNRUEXQHSLI-DEDYPNTBSA-N 373.433 4.759 0 40 FJAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 585089097 AMHOEZAYGGSOPR-LJQANCHMSA-N 355.482 4.552 0 40 FJAB Cc1cc(Cl)c2ccccc2c1NC(=O)NCc1c(C2CC2)cnn1C 666726262 ARKYOGVMLCMZQU-UHFFFAOYSA-N 368.868 4.734 0 40 FJAB CC[C@@H](CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2)C(C)(C)C 1124607656 AVTVJRZHICEVGI-LBPRGKRZSA-N 350.528 4.517 0 40 FJAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Br)cc2)cc1 656331 DJTSPBYCEAOPJV-CZAWJFPGSA-N 358.279 4.902 0 40 FJAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)N1CCCC1 3206354 WGTOLGDFKAMFSC-CXAGYDPISA-N 363.914 4.749 0 40 FJAB Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)s1 3389191 VJVFWZALBPKTEN-GFCCVEGCSA-N 355.488 4.633 0 40 FJAB Cc1cccc(C)c1NC(=O)CSc1nnc(Nc2ccccc2)s1 4619315 SRXKOSQUHNSIND-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB O=C(O)CCSCCCCCCCCCCSCCC(=O)O 5501132 KHLVSPIFFQSEKD-UHFFFAOYSA-N 350.546 4.523 0 40 FJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 5875309 YTUUGNMUVPWSMD-OAHLLOKOSA-N 354.450 4.711 0 40 FJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(C)c(C)c1 6243360 HQHALHHJXPAXKU-AWEZNQCLSA-N 370.518 4.709 0 40 FJAB COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(OC)c1 6952631 XDEMVZCCJJPZLY-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccc(C)cc3)[nH]c(=O)c12 7002559 SCKSTXXEVWUZRK-GFCCVEGCSA-N 355.507 4.802 0 40 FJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cccc(Cl)c3)o2)cc1 7159376 GOUVPYLVUZFMPM-NSHDSACASA-N 374.849 4.762 0 40 FJAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 8021350 YZHJYPYQEKEIEC-QWRGUYRKSA-N 368.260 4.811 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1cc(C2CC2)nn1-c1ccccc1 8071826 DDWAJOHKJHWILO-UHFFFAOYSA-N 355.800 4.795 0 40 FJAB Fc1ccc(Nc2nnc(-c3ccc(Br)s3)o2)c(F)c1 8512779 AQULDABVKLCNDC-UHFFFAOYSA-N 358.167 4.582 0 40 FJAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1 9216384 ODFLXZKTBJDCAW-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(O)cc2)cc1 9421877 SGIZEHYUEHBVJK-FQEVSTJZSA-N 362.454 4.885 0 40 FJAB Cc1cc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)no1 9884812 ACBUSZGGVRRJFY-UHFFFAOYSA-N 363.392 4.842 0 40 FJAB S=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10184207 RCHKHXUZUXCHJV-ZDUSSCGKSA-N 370.909 4.793 0 40 FJAB COc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10691968 KRONRNGAWUGYEB-OAQYLSRUSA-N 370.452 4.738 0 40 FJAB biogenic Cc1cc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)on1 12119668 WZVPWOWJLWTMTJ-KRWDZBQOSA-N 369.396 4.535 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 12137657 ILNLKSULUPXYLX-OAQYLSRUSA-N 374.440 4.735 0 40 FJAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N[C@@H](C)c1ccccn1 12545827 DXOBXEDTAMYPMZ-KRWDZBQOSA-N 353.510 4.599 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1Oc1ccccc1 12753731 OIUSWKWMDGQDEH-UHFFFAOYSA-N 372.424 4.858 0 40 FJAB CCOc1ccc(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 12763005 HNSJAPWJYURKIJ-CYBMUJFWSA-N 371.412 4.765 0 40 FJAB CN(C)[C@@H](CNC(=O)C1(Cc2ccccc2)CCCCC1)c1cccs1 12948280 CGXKGFJPWBDWNY-IBGZPJMESA-N 370.562 4.660 0 40 FJAB Cc1nn(C)c2sc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc12 12971725 LLYLQVUMFBGAGD-UHFFFAOYSA-N 368.289 4.522 0 40 FJAB O=C(O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 13191384 LYIBQNKZZQBFJZ-UHFFFAOYSA-N 359.578 4.519 0 40 FJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCCc2ccccc2)cc1 14668905 QFYJXEIOQQBAJW-SFHVURJKSA-N 361.441 4.714 0 40 FJAB CCc1ccc2nc(NC(=O)c3nc(Cl)ccc3Cl)sc2c1 14794473 FSPPHMSDKACDNG-UHFFFAOYSA-N 352.246 4.813 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc2ncccc12 14897072 VVYBZXCHEJMMTD-MDZDMXLPSA-N 368.868 4.701 0 40 FJAB CCCCOc1ccc(NC(=O)COc2ccc(F)cc2)c2cccnc12 15841077 ZFUGPSSOXDAOEZ-UHFFFAOYSA-N 368.408 4.570 0 40 FJAB COc1ccc(OC)c([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 17198539 MHMOCYAUVDCCBB-HXUWFJFHSA-N 357.475 4.606 0 40 FJAB CC(=O)c1sc(NC(=O)CCc2ccc(F)cc2)nc1-c1ccccc1 18119216 IMANRPYHUUOQFQ-UHFFFAOYSA-N 368.433 4.723 0 40 FJAB O=C(c1cccnc1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19337664 ZUFRUHJZWRFTON-LJQANCHMSA-N 365.408 4.633 0 40 FJAB Cc1cc(C)cc(-c2nc3n(n2)N=C(c2ccc(Cl)cc2)CS3)c1 19910195 FCXMWYDQAGGPMC-UHFFFAOYSA-N 354.866 4.573 0 40 FJAB CC1(C)CC(=O)C[C@]2(C1)NC[C@@H](c1ccccc1)c1c2[nH]c2ccccc12 25721237 RDUOSIUGTZVTHR-YADARESESA-N 358.485 4.878 0 40 FJAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 27692063 VSZTZBOIPCHDCL-CQSZACIVSA-N 354.837 4.805 0 40 FJAB C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)n1ccc(C(F)(F)F)n1 27973848 DKPMLUGUVJLULE-AWEZNQCLSA-N 373.378 4.692 0 40 FJAB CN(Cc1ccsc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 28021087 PALLQVKJDYEBRM-UHFFFAOYSA-N 360.866 4.648 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 38833394 NCCQMHSMYRWYOQ-GOSISDBHSA-N 356.897 4.808 0 40 FJAB CCN(CC(C)C)C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C 40071034 JKYIAUKWIHPMJG-VAWYXSNFSA-N 373.928 4.719 0 40 FJAB O=C(NCCCc1ccccc1)c1cc(-c2cccc3ccccc23)[nH]n1 44839356 LLWHFLIQSCPIMB-UHFFFAOYSA-N 355.441 4.593 0 40 FJAB C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H](c2ccccc2)O1 57995971 UFPAFAOQZCTTBC-ORAYPTAESA-N 355.821 4.688 0 40 FJAB Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)n(Cc2ccccc2)n1 58061013 XNIJMQNRLXXFBZ-KRWDZBQOSA-N 365.502 4.500 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCOCc1ccccc1 59483580 SSHBADOBWFRPBT-DTQAZKPQSA-N 357.453 4.700 0 40 FJAB Cc1cccc(Nc2nnc(SC[C@H](O)c3cccc(F)c3)s2)c1 65498182 IFJSVNJDZPQCHC-HNNXBMFYSA-N 361.467 4.555 0 40 FJAB Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 72358384 PULPOUZZLQBRGM-GOSISDBHSA-N 365.427 4.801 0 40 FJAB CC(C)c1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 72390033 AOKLXMXIVVYTDV-IBGZPJMESA-N 362.477 4.635 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 75390136 GNBRWHQWPWSZDU-CZUORRHYSA-N 370.474 4.847 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@@H]1c1nnc(C)o1 95446462 AZIXJZOZGXLGNJ-OAHLLOKOSA-N 362.861 4.525 0 40 FJAB CC(C)c1noc(-c2ccccc2NC(=O)c2cc(-c3ccccc3)on2)n1 96346744 ATXNXFZBZWVGDX-UHFFFAOYSA-N 374.400 4.767 0 40 FJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccccc1 101350468 JLZXCFASAHOQFW-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224620582 VTJRJMRBQLULSA-NRFANRHFSA-N 369.505 4.645 0 40 FJAB CSc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 225727339 FIGKNXKICICHQU-UHFFFAOYSA-N 373.528 4.805 0 40 FJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1 225811311 XYDVINYUYBWPME-UHFFFAOYSA-N 363.257 4.742 0 40 FJAB Cc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)n1 225981986 AHGAIDJVRURNGE-UHFFFAOYSA-N 374.941 4.545 0 40 FJAB S=C(Nc1ccc(Br)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 260659349 YXWUIXAVLOELQX-MWODSPESSA-N 359.720 4.578 0 40 FJAB O=C(Nc1ccccc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676887 OSKRMRAZEVWBDI-UHFFFAOYSA-N 358.372 4.567 0 40 FJAB CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3)cc12 708522 APSNHLMKIKBENC-UHFFFAOYSA-N 365.429 4.927 0 40 FJAB COc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)cc1 915622 IWLSHOVEKIESNB-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB Cc1cc(O[C@@H]2OCCO[C@H]2Oc2ccc(Cl)cc2C)ccc1Cl 3187405 AZPWQBPPTIVSPI-ROUUACIJSA-N 369.244 4.767 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2cc(C)ccc2C)c(Br)c1 4776843 RJPNCINEGVTHNC-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)no2)c1 4880772 MIMCUDSAQQSFGF-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB O=C(O)C/C(=C\c1ccccc1OC(F)F)c1nc2ccccc2s1 5130976 MBWNDCJMPINUIP-FMIVXFBMSA-N 361.369 4.913 0 40 FJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 5859339 SNDIQGAQLLTHPR-UHFFFAOYSA-N 363.816 4.572 0 40 FJAB Cc1cc(C)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1 6025169 ZIWIESVPHVWUMY-UHFFFAOYSA-N 359.882 4.872 0 40 FJAB Cc1cc(F)ccc1NC(=O)CSc1ccc(Br)cc1C 6202863 KSSSVSGTEZFHRG-UHFFFAOYSA-N 368.271 4.936 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nnc(C4CC4)n3C3CC3)c2cc1C 7904285 SVSORHIWGIIURF-UHFFFAOYSA-N 367.474 4.506 0 40 FJAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)C(F)(F)F 8071270 JOIOFGSSXCCAIZ-UHFFFAOYSA-N 367.710 4.614 0 40 FJAB CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 8654016 JBTGFPJGXMYCIA-AEFFLSMTSA-N 361.489 4.911 0 40 FJAB CCn1/c(=N\C(=O)c2nc3ccccc3s2)sc2cc(Cl)ccc21 8654279 CKBPYHAEJMAMGB-LVZFUZTISA-N 373.890 4.727 0 40 FJAB CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)Cc2ccco2)cc1 9204871 BXVATEVSKMGOCA-UHFFFAOYSA-N 365.429 4.530 0 40 FJAB CCCCc1nnc(-c2cc3ccccc3n2CC(=O)c2ccccc2)o1 9651434 LPBAYXDNVGIRPG-UHFFFAOYSA-N 359.429 4.917 0 40 FJAB CSc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2Cl)c(C)n1 12756273 IIIYEWKVHDYUSX-UHFFFAOYSA-N 370.305 4.693 0 40 FJAB Cc1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)sc2ccccc12 12872461 MCZFEVJOUIIZTM-UHFFFAOYSA-N 372.877 4.574 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(-c3ccccc3)no2)c1 12920824 UKJCUNOZMPLDHF-HNNXBMFYSA-N 367.474 4.614 0 40 FJAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 20450886 LTVAMHIVXAELPP-SCZPIIQISA-N 367.489 4.892 0 40 FJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(Cc2ccccc2)n1 33162597 JAEYJCMTZVUZRV-OAHLLOKOSA-N 368.477 4.635 0 40 FJAB Cc1ccc(-n2ccnc2SCc2nc(-c3cccc(C)c3)no2)cc1 33278095 JJEGZHSUIIZBGC-UHFFFAOYSA-N 362.458 4.831 0 40 FJAB Cc1ccc(C)c(NC(=S)NCc2ccccc2CN(C)C(C)C)c1 36847591 VAAMLANBCAGQSR-UHFFFAOYSA-N 355.551 4.630 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 38771590 NSGDUUFSJDSXCT-DEOSSOPVSA-N 359.469 4.842 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1 40104012 SHNHRMZIPVBURO-UHFFFAOYSA-N 359.857 4.598 0 40 FJAB COc1cc(OC)c(NC(=O)c2[nH]c3ccccc3c2Cl)cc1Cl 40144230 KHAUQWSIBRDNDL-UHFFFAOYSA-N 365.216 4.744 0 40 FJAB Cc1ccccc1CNC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 48353663 CGKLTGSFUWEKHI-UHFFFAOYSA-N 360.461 4.517 0 40 FJAB CC(C)Oc1cccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 59254216 NZZOFASENKLBPG-UHFFFAOYSA-N 363.244 4.539 0 40 FJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1sc(C)nc1C 72296392 HHPIOGHZFVLHIW-UHFFFAOYSA-N 372.321 4.527 0 40 FJAB CCc1cc(C)c(C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)o1 93022119 OCHOSSPIECITQM-UHFFFAOYSA-N 365.477 4.540 0 40 FJAB COc1ccc2c(c1)CN(c1ncnc3scc(-c4ccccc4)c13)CC2 95954898 QITJPQAQVUPVDA-UHFFFAOYSA-N 373.481 4.930 0 40 FJAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 107947431 VKLWXNFXKUSFSE-QGZVFWFLSA-N 355.478 4.601 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 219298214 UIKQQXNTCBFHKR-SFHVURJKSA-N 369.505 4.725 0 40 FJAB CCN(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1F 223956226 KKGIFCKXBOYMOA-UHFFFAOYSA-N 351.874 4.761 0 40 FJAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225504442 TZMUZIMFBVUORP-UHFFFAOYSA-N 353.462 4.552 0 40 FJAB COc1c(C)cc([C@H](C)NC2CCC(O)(c3cccnc3)CC2)cc1Cl 585081798 DFVLKKGCRRHOOE-SBGRQLAYSA-N 374.912 4.533 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1cc2ccccc2s1 1775968806 LRCGXXQRKQKIAB-CYBMUJFWSA-N 369.467 4.686 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccc(F)c(F)c2)cs1 2628755 ABGHPBFDRWDNCA-UHFFFAOYSA-N 369.396 4.751 0 40 FJAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1 2705634 LINXILIQBOSBJK-ZDUSSCGKSA-N 355.821 4.569 0 40 FJAB O=C(Cc1cccs1)Nc1ccc(-c2nc3cccnc3s2)cc1 2961273 ZEVAQCJSDWNQKV-UHFFFAOYSA-N 351.456 4.601 0 40 FJAB COc1cccc(OC)c1OC(=O)C1c2ccccc2Oc2ccccc21 3291205 REJFNEWZTWXHEA-UHFFFAOYSA-N 362.381 4.547 0 40 FJAB COc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1 3443099 OEKIGRXNPWPZDV-UHFFFAOYSA-N 352.337 4.576 0 40 FJAB COc1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 3896254 ZJLJWNNLVWJZGY-UHFFFAOYSA-N 356.491 4.850 0 40 FJAB O=C(CSc1cnc2ccccc2n1)Nc1cccc(Cl)c1Cl 4275535 IPHNCJASIDPFSL-UHFFFAOYSA-N 364.257 4.667 0 40 FJAB CCc1c(C)sc2nc(C)nc(SCC(=O)c3ccc(F)cc3)c12 4888795 LJIMOCXRXYZFCH-UHFFFAOYSA-N 360.479 4.985 0 40 FJAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@@](=O)c1ccccc1 5278743 NEXHXXIOJGIBQB-SANMLTNESA-N 360.434 4.972 0 40 FJAB Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c1 5794925 MVIJYYVYRSXTKA-HRCADAONSA-N 373.522 4.624 0 40 FJAB Cc1cc(C)c(OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 6289006 QEUVQEZWEKDSLH-UHFFFAOYSA-N 359.469 4.896 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 6879191 FLGVLBUHYJWQTE-LDADJPATSA-N 371.433 4.851 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1CCCCC1 7000010 ZCFROIRUBQWOQF-LLVKDONJSA-N 374.706 4.566 0 40 FJAB O=C1Cc2cc(-c3csc(-c4ccc(Br)cc4)n3)ccc2N1 8209157 LTOLAJMBMPBGCA-UHFFFAOYSA-N 371.259 4.734 0 40 FJAB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1CNCCc1ccccc1 8490539 RAXQLDJQKLEICR-UHFFFAOYSA-N 374.532 4.503 0 40 FJAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccccc4)C3)c2C)cc1 8636091 ABFMQNRBTGMUPH-NHCUHLMSSA-N 373.500 4.700 0 40 FJAB biogenic,in-vitro COc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)ccc1C 8851645 NKGOYAVLFDYHAD-UHFFFAOYSA-N 360.385 4.658 0 40 FJAB Cc1ccc(NC(=O)N2CCCCCC2)cc1NC(=O)N1CCCCCC1 9959394 GFBXPLIDHQWZHP-UHFFFAOYSA-N 372.513 4.811 0 40 FJAB O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1 10218092 JKTKYMIPBRNTSU-UHFFFAOYSA-N 373.478 4.855 0 40 FJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCC1CCCCCC1 10543533 UMGSLLLGHTYTPK-UHFFFAOYSA-N 364.338 4.773 0 40 FJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cnc(Cl)c(Cl)c1 12261149 WOVXBDAXFODZCF-UHFFFAOYSA-N 363.200 4.709 0 40 FJAB CC(C)n1ncc2c(C(=O)N3CC[C@H]4CCCC[C@H]4C3)cc(C3CC3)nc21 12789770 ZAQPVTCMZHGBPG-WBVHZDCISA-N 366.509 4.542 0 40 FJAB C[C@@H](NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(F)cc1 13006783 YZUPVXLDTXSLEH-IJIUKMTFSA-N 357.812 4.689 0 40 FJAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C 13644641 NWOZAKSVXXRFBP-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)c(C)c1 13770059 CMQKDZYMGGBGME-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB COC(=O)c1ccc(OCc2sc3ccccc3c2Cl)c(OC)c1 14075418 OLIUKOCRXKDJJS-UHFFFAOYSA-N 362.834 4.929 0 40 FJAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 14184549 IOBHPTRMKFNYKU-UHFFFAOYSA-N 363.844 4.843 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 15424828 ABVLZKBCMNIORP-SFHVURJKSA-N 365.477 4.693 0 40 FJAB CSc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1 15581996 PBRPPEQMBRFTOU-UHFFFAOYSA-N 351.519 4.560 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Br)cc1 20037817 SKRSNFLHDUMGBZ-INIZCTEOSA-N 362.267 4.862 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20105709 KKGCFUQALXTKEC-CVDCTZTESA-N 359.469 4.977 0 40 FJAB Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1 20193510 SMSGQEKNPSAXOZ-UHFFFAOYSA-N 360.804 4.941 0 40 FJAB CCOc1c(Cl)cc(C(=O)N2CCC[C@H]2c2cccs2)cc1OC 22131699 HCYOWAMHZQXQDZ-AWEZNQCLSA-N 365.882 4.786 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccc(F)cc1Cl 24952162 MGFOHSUOJMZEDZ-LBPRGKRZSA-N 367.873 4.598 0 40 FJAB Clc1ccc(-c2nc(CSc3nccn3-c3ccccc3)no2)cc1 28190870 NKOUPYGTMRBGDB-UHFFFAOYSA-N 368.849 4.868 0 40 FJAB CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1ccccc1C 36393596 MSKDZUMRNNESSF-UHFFFAOYSA-N 367.449 4.874 0 40 FJAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccc(Cl)s1 41105109 RDNDVKXOFSAQIP-SNVBAGLBSA-N 351.834 4.784 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(Cn2ccnc2)c1 45032483 HMXYHMOSAXOUJJ-UHFFFAOYSA-N 374.488 4.564 0 40 FJAB CCN(c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1)C(C)C 84779610 UFBPXGZMNSFDTC-UHFFFAOYSA-N 362.477 4.734 0 40 FJAB Cc1ccccc1N1[C@H]2C[C@H](Oc3ccccc3)N1C(=O)c1ccccc12 96318815 KZJKXCRUTQCIEV-VXKWHMMOSA-N 356.425 4.722 0 40 FJAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)cc(C)c1Br 218832140 BOOOZWJXCVJNTI-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB CCOc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 219128452 NLBMTUROQHIXIT-UHFFFAOYSA-N 359.469 4.924 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219596344 PXXSLUYAJIITKA-PMACEKPBSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)n1cc(C(=O)OC)c2ccccc21 222621445 JBVFNSGKDZIBSC-LJQANCHMSA-N 365.429 4.543 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1 222775251 HTOXNEKGOCRSQW-UHFFFAOYSA-N 353.462 4.832 0 40 FJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222932518 PJZHVWFXZKTVIJ-OAQYLSRUSA-N 369.505 4.857 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)NCCSc1ccccc1 223110122 XDCWYXWYMVWJQK-UHFFFAOYSA-N 369.914 4.621 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C)cc2)cc1C(C)C 223370275 YRPUNYQQVVWURL-QGZVFWFLSA-N 355.478 4.692 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 223439906 CNEGCCRAXNOIJI-QGZVFWFLSA-N 357.519 4.623 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3Cl)s2)cc1 224122104 WAGUZAHNPNXJQC-LBPRGKRZSA-N 373.865 4.573 0 40 FJAB CNC(=O)c1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(N)c1 225447634 YPXYJJUNOJIIQY-UHFFFAOYSA-N 367.836 4.818 0 40 FJAB O=C(NCCCc1ccco1)c1cccc(OCc2ccccc2Cl)c1 225781061 BOGKWBRWWFPNBY-UHFFFAOYSA-N 369.848 4.875 0 40 FJAB CC(=O)OC/C(=C/CC/C(=C\CC/C(C)=C/CO)CO)CCC=C(C)C 253390514 GFDOSVZSTRYXMK-HVFNZWPVSA-N 364.526 4.640 0 40 FJAB biogenic,in-vitro COC(=O)C[C@H]1CC[C@H]2[C@H](O1)c1cc(-c3ccccc3)ccc1OC2(C)C 257232719 GMCASJOVOLGBLA-ZWCUEREDSA-N 366.457 4.924 0 40 FJAB Cc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 409114716 IEZHACZEWGULJC-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB Cc1cc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)co1 548049068 GXACWIZRHLDPAM-KRWDZBQOSA-N 369.396 4.535 0 40 FJAB COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)c1ccccc1 710107 GRVCKNHJTXXDJF-JOCHJYFZSA-N 370.452 4.995 0 40 FJAB COc1cc(/C=C/C(=O)O)ccc1OCc1c(Cl)cccc1Cl 941432 SUDRNMNLHLDRNO-SOFGYWHQSA-N 353.201 4.679 0 40 FJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(C)=O)cc1 953631 OAJBHLHKVONAMP-UHFFFAOYSA-N 362.429 4.975 0 40 FJAB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCCCCC1 1324317 ZGJIWFAACBJANZ-UHFFFAOYSA-N 356.466 4.906 0 40 FJAB COc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 2713896 USOQFQOXCMSPFL-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB NC1=C(c2nc3ccccc3s2)CC(=O)N1c1cccc2ccccc12 3235226 KWLPELBBHIWABQ-UHFFFAOYSA-N 357.438 4.514 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c1 3503848 WTESJQJLUDPVJK-LBPRGKRZSA-N 356.472 4.618 0 40 FJAB Cc1ccc(Cn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 4386035 IPDRXHJGTPAHHP-SFHVURJKSA-N 361.489 4.507 0 40 FJAB C[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H]1C 4669107 JFSLYLPYWICGFK-JXXFODFXSA-N 359.473 4.851 0 40 FJAB Cc1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1 4838474 MVQJJFZRGBWSSX-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB CCc1cccc(CC)c1NC(=O)CNc1ccccc1N1CCCCC1 4904335 RIBMJHFXFNAJRU-UHFFFAOYSA-N 365.521 4.852 0 40 FJAB O=C(Nc1ccccc1)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl 5603983 BTFXMXKURUYFSO-ZDUSSCGKSA-N 359.640 4.583 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 5685234 ACVXMPIPLHAXAC-UHFFFAOYSA-N 371.465 4.976 0 40 FJAB O=C(Cc1coc2cc(O)ccc12)OCc1csc(-c2ccccc2)n1 5806319 XBXXUMYOQWCSEZ-UHFFFAOYSA-N 365.410 4.548 0 40 FJAB COc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc(Cl)c1OC 6248942 IZIFLOSFZZWXDL-UHFFFAOYSA-N 374.868 4.600 0 40 FJAB Cc1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)c(Br)c1 6346123 PVBSSCADWQPCIU-UHFFFAOYSA-N 362.267 4.772 0 40 FJAB O=C(/C=C/c1cnc2ccccc2n1)NC(c1ccccc1)c1ccccc1 6651659 WBIMUSQRVPBNHE-FOCLMDBBSA-N 365.436 4.549 0 40 FJAB CCOc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)oc12 6868003 GUVNKNXFFAINFZ-UHFFFAOYSA-N 368.776 4.562 0 40 FJAB Cc1ccc(-c2nc(Cn3cnc4sc(C)c(C)c4c3=O)cs2)cc1 7005624 FEVZSJXCRLWPHO-UHFFFAOYSA-N 367.499 4.555 0 40 FJAB C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)CCCC2 8268030 BGPFZPHZGPFTOY-AWEZNQCLSA-N 366.486 4.676 0 40 FJAB CCOc1c(Cl)cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1OC 8389651 MVPPYXROKTXIKX-AWNIVKPZSA-N 364.228 4.893 0 40 FJAB FC(F)(F)c1cccc(NC(=S)Nc2ccnn2C2CCCC2)c1 10180903 ZMBNLJSZJGEKEG-UHFFFAOYSA-N 354.401 4.826 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503828 ZJVIGFGOXRBYHQ-ZDUSSCGKSA-N 374.271 4.890 0 40 FJAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N1CCc2ccccc21 10715066 JAUNNFSLHDKUGP-ZDUSSCGKSA-N 368.433 4.551 0 40 FJAB COc1cc(C(=O)O)ccc1OCc1cc2ccc(C)c(C)c2nc1Cl 12800000 YRCRSYXIJAXPRL-UHFFFAOYSA-N 371.820 4.791 0 40 FJAB Cc1ccc(-c2nn(CN3CCc4sccc4[C@@H]3C)c(=S)n2C)cc1 12852066 HATFTJIDFFMJAF-AWEZNQCLSA-N 370.547 4.565 0 40 FJAB COc1ccc(-c2nc(CSCCOc3ccc(F)cc3)co2)cc1 12868473 NWBQVXWIRHOUBP-UHFFFAOYSA-N 359.422 4.802 0 40 FJAB O=C(Cc1ccc2ccccc2c1)NCc1ccc(OC(F)(F)F)cc1 12911562 JJHRZSSPGPWNBC-UHFFFAOYSA-N 359.347 4.597 0 40 FJAB Cc1ccc(NC(=O)CSCc2nc(-c3cccc(Cl)c3)no2)cc1 12920846 QYIOLSAPCIUYOO-UHFFFAOYSA-N 373.865 4.570 0 40 FJAB CCCCOc1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 13561323 LLJADBWWUMPTJQ-UHFFFAOYSA-N 350.462 4.936 0 40 FJAB CCCCOc1ccc(NC(=O)COc2ccc(C)cc2)c2cccnc12 15841079 CRTZHUHGEMJGHT-UHFFFAOYSA-N 364.445 4.740 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)s2)n(-c2nc3ccccc3s2)n1 16851002 YLSVCHFEKSIJTR-UHFFFAOYSA-N 374.878 4.758 0 40 FJAB Cc1cc(C)cc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)c1 18208732 UVIXUERXADAKNW-MRXNPFEDSA-N 361.420 4.889 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C)c1 28246586 FJGCDQYFEICDLA-CQSZACIVSA-N 352.434 4.583 0 40 FJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)-c1ccccc1CC2 29327946 KOLZLOWXGJPGRO-UHFFFAOYSA-N 373.481 4.662 0 40 FJAB COc1ccc(C)cc1[C@H](C)NCc1ccc(OCc2ccncc2)cc1 30628300 LWILGYLIPWKHJS-SFHVURJKSA-N 362.473 4.828 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1 31532091 LHMNVFSDBUAOSK-UHFFFAOYSA-N 371.440 4.592 0 40 FJAB CCCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c2cccnc12 32593285 MWNMKABHGQGEFL-MDWZMJQESA-N 362.429 4.684 0 40 FJAB CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1-c1ccc(C)cc1 33792561 YNVSYQPCCQHAQI-UHFFFAOYSA-N 371.440 4.857 0 40 FJAB Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)cs1 37143143 QTVYKJVUZZSXBC-FHQWLQQXSA-N 370.518 4.548 0 40 FJAB O=C(Nc1ccon1)c1cc2sccc2n1Cc1ccccc1Cl 40266918 IONFUFZTKFPMGO-UHFFFAOYSA-N 357.822 4.645 0 40 FJAB C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C(C)(C)C)cc1 44906138 WMRXZAOVEHQMJO-KRWDZBQOSA-N 361.489 4.720 0 40 FJAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44938647 LKOJYAWGNFFOMA-UHFFFAOYSA-N 372.509 4.788 0 40 FJAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N(C)c2ccccc2)s1 47563182 LTESNPQWHAHAJJ-UHFFFAOYSA-N 366.490 4.883 0 40 FJAB C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1Br 48324424 XSOUYCSZBMNLDF-VIFPVBQESA-N 355.182 4.610 0 40 FJAB O=C(CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 52537824 OJMRNZKDUWWMNP-UHFFFAOYSA-N 358.279 4.511 0 40 FJAB CC1=NN(c2ccc(C(=O)O[C@@H](C)c3nc4ccccc4s3)cc2)CC1 58378119 QEEQXQBQSMENME-AWEZNQCLSA-N 365.458 4.800 0 40 FJAB O=C(Nc1cccc(-c2cnco2)c1)c1cccc2c3c([nH]c12)CCCC3 69950322 PQKCEHDULXTEEE-UHFFFAOYSA-N 357.413 4.954 0 40 FJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1Cl 72329311 JWXWTZGDDYJOIW-UHFFFAOYSA-N 373.884 4.749 0 40 FJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102262574 ZPUGVDDWHALMBB-RWMBFGLXSA-N 373.499 4.804 0 40 FJAB Cc1ccc(CCC(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223735716 NHIKUFMZMHHJPZ-UHFFFAOYSA-N 353.506 4.729 0 40 FJAB CCCCc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1 225367520 HBGHMNOAMQNVOG-UHFFFAOYSA-N 351.446 4.833 0 40 FJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225705722 FLLJGLLWHSXVAA-IBGZPJMESA-N 371.905 4.679 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC)c2ccccc2C)c1 225758366 VFMSUZVIKGMHIR-GOSISDBHSA-N 370.518 4.918 0 40 FJAB COc1ccc(C2(NC(=S)Nc3c(F)cccc3F)CCCC2)cc1 225860174 YLVQEBNKRBQFPH-UHFFFAOYSA-N 362.445 4.729 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C)n1 225860503 BTJVCAYKNFDGQF-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB CCOc1cc(CO)cc(Cl)c1OCc1cccc(Br)c1 226325879 LSKKCZHTXLMCIQ-UHFFFAOYSA-N 371.658 4.573 0 40 FJAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408660004 LCWCJYRXDFOLTE-QGZVFWFLSA-N 365.473 4.559 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 682581 OGTVXHGJCWNURK-MRXNPFEDSA-N 353.462 4.804 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1C 1262018 UBHONJRXIYOHAI-UHFFFAOYSA-N 358.869 4.575 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N1c2ccc(F)cc2CC[C@@H]1C 2742442 QSGHGWNCHVRISC-ZDUSSCGKSA-N 350.393 4.771 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 4816509 LTPBWWHLRKJSFF-RTWAWAEBSA-N 374.488 4.844 0 40 FJAB Fc1ccc(CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 5574565 NQEJNRQHACNNHW-UHFFFAOYSA-N 370.840 4.900 0 40 FJAB COc1cc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2cc1OC 5610420 ODARZGIYUZVYJH-UHFFFAOYSA-N 350.205 4.697 0 40 FJAB Cc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1C 6079396 ZVBAPFLEJYEFQC-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB COc1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1 6531309 YRLQMENHNNVBRR-UHFFFAOYSA-N 366.486 4.813 0 40 FJAB c1cncc([C@@H]2Nc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN32)c1 6674692 MCHCMWBZZMGXJL-XZOQPEGZSA-N 352.441 4.635 0 40 FJAB Cc1cccn2cc(CSc3nnc(-c4cccs4)n3C3CC3)nc12 7674194 ZWHUZTCACNDFOF-UHFFFAOYSA-N 367.503 4.590 0 40 FJAB Cc1ccccc1/C=C/C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8209908 WUJWNBPDOOUYJP-BUHFOSPRSA-N 372.472 4.632 0 40 FJAB CN(Cc1ccccc1Br)C(=O)c1ccc2ccccc2c1 8279670 HNYPHLVXJFVYBA-UHFFFAOYSA-N 354.247 4.875 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 9164786 FVVFKBWIQHSFHI-UHFFFAOYSA-N 364.489 4.881 0 40 FJAB O=S(=O)(NCCC1CCCCCC1)c1cc(Cl)ccc1Cl 10543508 HSHCKCTYJQRHAA-UHFFFAOYSA-N 350.311 4.632 0 40 FJAB Cc1ccccc1-n1c(SCCc2ccccc2)nnc1-c1ccncc1 12596997 PQCYGYBZAYZLGY-UHFFFAOYSA-N 372.497 4.973 0 40 FJAB FC(F)(F)c1cnc(Sc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 12741932 CNAZSVWVICFQAI-UHFFFAOYSA-N 356.760 4.690 0 40 FJAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1 12775194 IABQURIVMZJOEE-AWEZNQCLSA-N 370.474 4.964 0 40 FJAB COc1ccc(CSCc2nc(-c3ccc(C)c(F)c3)no2)cc1F 13020845 FEQNNEORFRGIGT-UHFFFAOYSA-N 362.401 4.765 0 40 FJAB CCOc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1OC 13547127 NEUCUCMZFUMREW-UHFFFAOYSA-N 369.530 4.724 0 40 FJAB COc1ccc2cc(C(=O)NCCSCc3ccsc3)ccc2c1 14190581 XLPAFGUMNUFBCV-UHFFFAOYSA-N 357.500 4.573 0 40 FJAB CC(C)c1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609841 OLPKIOJMTNFDCO-UHFFFAOYSA-N 356.429 4.796 0 40 FJAB CCc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 20807560 OITNMNMBQXVBTL-UHFFFAOYSA-N 362.521 4.697 0 40 FJAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2Cc3ccccc3S2)cc1 32882039 HUGOYPBZINACAY-PZJWPPBQSA-N 367.514 4.856 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1c(F)cccc1F 37136395 DVIKVBYLKZIFPV-UHFFFAOYSA-N 367.399 4.756 0 40 FJAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl 38849678 VLQOQLBGIJBJLD-MRXNPFEDSA-N 360.860 4.638 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2cccc(F)c2F)C1 40287809 AKHBQDJCUVNNDC-LLVKDONJSA-N 361.298 4.552 0 40 FJAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 44933994 VMPBYCBCKDQCOV-CRAIPNDOSA-N 374.887 4.569 0 40 FJAB C[C@@H](NC(=O)CCc1ccsc1)c1cccc(OCc2ccccn2)c1 48369224 YTYKSZKIDWAQFU-MRXNPFEDSA-N 366.486 4.532 0 40 FJAB Cc1cc2nc(Sc3nnc(-c4ccccc4C)o3)c3ccccc3n2n1 58045989 LESCHGUPNHXRJL-UHFFFAOYSA-N 373.441 4.701 0 40 FJAB Cc1ccc(CN(C(=O)Nc2cc(C)nn2C)[C@@H]2CCc3ccccc32)cc1 63813403 YKAPTAHCSFMNSQ-OAQYLSRUSA-N 374.488 4.759 0 40 FJAB CCOC(=O)c1cccc(Nc2ccnc3cc(Cl)c(OC)cc23)c1 64874612 LZAQVBLKLQIRCO-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CC(C)n1c(CCNCc2ccccc2Br)nc2ccccc21 72289952 HJQWBVKIJQHYQP-UHFFFAOYSA-N 372.310 4.712 0 40 FJAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C(F)(F)F)cc1 72329174 LKOPMPZQFLOSAO-UHFFFAOYSA-N 373.378 4.588 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72348632 JODLQQWAAQNBPW-HXUWFJFHSA-N 374.459 4.831 0 40 FJAB FC(F)(F)[C@H]1CCCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCCO2 95949233 RNBSEUIBRXSCPW-JSGCOSHPSA-N 363.807 4.712 0 40 FJAB Brc1ccc(-c2noc(-c3occc3Br)n2)cc1 216668914 JHUULUZOMJEDFT-UHFFFAOYSA-N 370.000 4.522 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC(C)C)c3)N21 222663430 LIIIYVMWBZEOHR-LSTHTHJFSA-N 367.518 4.848 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 222878003 PDSCHSRNLWUZKZ-QHCPKHFHSA-N 365.517 4.888 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c(C)c1 222894562 CXGOTTSNVVFWLH-FQEVSTJZSA-N 369.461 4.530 0 40 FJAB Cc1ccc(CSCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 223303960 NOJFWTHQIPPPIJ-UHFFFAOYSA-N 371.546 4.855 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSc2ccccc2)c1 223388745 MUHXLQLXOKQROU-QGZVFWFLSA-N 357.519 4.794 0 40 FJAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)c(I)c1 225029307 PWQYKMDISYOVQC-UHFFFAOYSA-N 373.278 4.544 0 40 FJAB COc1ccccc1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225335069 BXYYGCKWWHMWRF-UHFFFAOYSA-N 366.288 4.684 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(OC)cc1 225490049 KLLWNAWRJIRDAB-LJQANCHMSA-N 358.507 4.920 0 40 FJAB CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225673091 SDIFCGOQHHRDPN-SFHVURJKSA-N 370.518 4.983 0 40 FJAB COc1c(C)cc([C@@H](C)NC2CCC(O)(c3cccnc3)CC2)cc1Cl 585081797 DFVLKKGCRRHOOE-AZOSJMHDSA-N 374.912 4.533 0 40 FJAB C[C@@]1(Cc2cccc3ccccc23)CCCN1Cc1ncccc1C(=O)O 659803171 FKSAFBVXDLRHNO-QHCPKHFHSA-N 360.457 4.530 0 40 FJAB O=C(CC(Cc1ccccc1)Cc1ccccc1)Nc1cc(CC2CC2)[nH]n1 1644065181 DAGPQEFWPSAODJ-UHFFFAOYSA-N 373.500 4.792 0 40 FJAB Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 976860 SYSHSXRZJZWXNR-UHFFFAOYSA-N 368.440 4.559 0 40 FJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 1290949 ZADQOWLNYUZXOE-GFCCVEGCSA-N 356.516 4.684 0 40 FJAB O=C1C[C@H](c2ccccc2Cl)Cc2nc(NCc3ccccc3)ncc21 1407294 KUHYFWBBIICGJF-OAHLLOKOSA-N 363.848 4.655 0 40 FJAB COC(=O)c1c(C)oc(C)c1-c1ccc(OCc2ccccc2)c(OC)c1 1608096 ILUDUAAFPIQRMP-UHFFFAOYSA-N 366.413 4.938 0 40 FJAB CCN(CC)CC[C@](CCc1ccccc1)(C(=O)OC)c1cccs1 1679376 CEHPYKHGMYQFNH-NRFANRHFSA-N 359.535 4.524 0 40 FJAB CCCCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 2027819 JPIOUHYAYNMNOQ-UHFFFAOYSA-N 352.228 4.863 0 40 FJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCC(C)CC3)sc21 2402957 OUSJJLAKCVTGAR-UHFFFAOYSA-N 353.491 4.576 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(CC)cc1)CO3 2445876 UZPOYJXJZVKSQY-UHFFFAOYSA-N 363.457 4.973 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(OC)c1 2622871 MUTGKVCKBKCXFC-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1sccc1Cl 3069912 JXMNPXRMXCJWTH-UHFFFAOYSA-N 357.045 4.514 0 40 FJAB COc1ccc(NC(=S)NN(Cc2ccccc2)c2ccccc2)cc1 3306930 DYLAKPMYSAONIA-UHFFFAOYSA-N 363.486 4.603 0 40 FJAB COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 4487823 OFCKVOPLKOBGPT-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4815064 VQSKEVGFVMICGS-PMACEKPBSA-N 374.488 4.700 0 40 FJAB CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5215840 AAXBCBPWDLFNPD-PKOBYXMFSA-N 358.894 4.963 0 40 FJAB Cc1ccc(-c2c(NC(=O)c3ccccc3)n(C)c3ccccc3c2=O)cc1 5245891 JWPLQBDGNMYHHP-UHFFFAOYSA-N 368.436 4.766 0 40 FJAB Cc1ccccc1-c1nnc(SCc2coc(-c3cccs3)n2)n1C 5859263 RBFGTDXTLKJKNK-UHFFFAOYSA-N 368.487 4.799 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCc1ccc(Cl)cc1Cl 6434122 PRKNICZDTOFDRP-UHFFFAOYSA-N 360.240 4.842 0 40 FJAB CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1C1CC1 7618172 QCVVMBKJXBZANR-LJQANCHMSA-N 363.486 4.892 0 40 FJAB O=C(c1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9575658 UXRPBVOEGCDCEE-NRFANRHFSA-N 373.452 4.978 0 40 FJAB CCc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccno3)sc2c1 9704456 WXCJDNPDJWQCPZ-UHFFFAOYSA-N 363.442 4.694 0 40 FJAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)c1 9935825 YIAXZBAWLNNTFR-MRXNPFEDSA-N 361.420 4.889 0 40 FJAB O=C(Nc1cccc2cccnc12)c1ccc2c(c1)C(=O)c1ccccc1-2 10502068 MUEOUZCMZKHGMX-UHFFFAOYSA-N 350.377 4.699 0 40 FJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(F)c3)o2)cc1C 11428752 IDAJHVPCHOROHN-UHFFFAOYSA-N 352.409 4.977 0 40 FJAB CCCCCCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O 11867607 KZWRHVFPWMKZCD-UHFFFAOYSA-N 352.434 4.522 0 40 FJAB CC(=O)Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 12787495 DFJPQUXMHIIWCD-UHFFFAOYSA-N 356.853 4.749 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 12925975 AKDKNJOIHKKAFY-UHFFFAOYSA-N 360.461 4.622 0 40 FJAB COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccccc2)cc1OC 15106935 JEUWFULCNPWWBW-HNNXBMFYSA-N 365.454 4.906 0 40 FJAB CCc1ccc(-c2noc(CN3CCC[C@@H]3c3ccc(OC)cc3)n2)cc1 15300667 CTCKJWMJXGRJIJ-HXUWFJFHSA-N 363.461 4.645 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1c(F)cccc1Cl 18019035 MYLNKVOYZVOQSW-LJQANCHMSA-N 370.855 4.665 0 40 FJAB Cc1ncsc1-c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1 19563194 UVLONVAOAIMWNB-UHFFFAOYSA-N 374.897 4.535 0 40 FJAB CCCn1c(=N)n(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 19855195 YPOYMIUNIQOUIC-UHFFFAOYSA-N 369.468 4.882 0 40 FJAB Cc1ccc(-c2nc3ncccn3c2NC(=O)c2ccc(Cl)cc2)cc1 19927788 GGWLHZOUQMAWIK-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(F)c(F)c2)c1 25250257 BRYJLBJAWZSBNG-UHFFFAOYSA-N 367.355 4.861 0 40 FJAB CCOc1ccc(C(C)=O)cc1COc1ccc(C)c2c1C(=O)C[C@@H]2C 25823320 FJVZNOJHEANFGP-AWEZNQCLSA-N 352.430 4.865 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1 30754407 IFYSXTIMVHYLGA-GOSISDBHSA-N 363.910 4.547 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 32759320 ZRIFLYPVDHLZDW-HNNXBMFYSA-N 370.518 4.537 0 40 FJAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCCSc2ccccc21 36833042 SLVMJJWVZWHKAV-UHFFFAOYSA-N 354.406 4.623 0 40 FJAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 39752629 PVJASZQDLUXWQL-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1nc(NC[C@@H](c2cccs2)N(C)C)c2c3c(sc2n1)CCCC3 58164891 CCRYGIIIDPKWFM-AWEZNQCLSA-N 372.563 4.655 0 40 FJAB C[C@@]1(CC(=O)Nc2ccccc2)NN=C(c2cccc3ccccc23)S1 59398920 ZPSYUJWQBALWCM-OAQYLSRUSA-N 361.470 4.583 0 40 FJAB Cc1[nH]c2ccc(C(=O)NCCc3nc(-c4ccccc4)oc3C)cc2c1C 65488380 SBOVUSQMTDBZON-UHFFFAOYSA-N 373.456 4.721 0 40 FJAB Fc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72348853 SFLHXKNHWLPAAR-HXUWFJFHSA-N 361.464 4.586 0 40 FJAB O=C(O)c1ccc(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 82375280 LCUWZGFINUZBSQ-YDZHTSKRSA-N 364.376 4.549 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c(C)c1 89614083 PUBNTIBMUDIPMP-SFHVURJKSA-N 362.477 4.658 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(F)c(F)c(O)c1F 96004274 DHNJZCZJHQNRCN-UHFFFAOYSA-N 359.303 4.854 0 40 FJAB CO[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccsc1 96097416 QBLWRDNJTNTGND-QGZVFWFLSA-N 363.910 4.717 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1ccc(Cl)s1 96119864 LGFFMNMULZDVQQ-UHFFFAOYSA-N 361.875 4.624 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 118935466 VFBOQACQHXYULH-QWQRBHLCSA-N 360.538 4.977 0 40 FJAB O=C(NCCSc1ccccc1)c1cccc(OCc2ccccc2)c1 218975658 IVRHGPMNPAHVQD-UHFFFAOYSA-N 363.482 4.788 0 40 FJAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225194191 IPYXZZLWCNPSKU-LJQANCHMSA-N 353.506 4.943 0 40 FJAB O=C(CCc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 225302602 TXFANMMRCJKMIN-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB Cc1cc(NC(=S)NCc2ccccc2Cl)ccc1Br 225371315 WBWLQIYXGHBMQH-UHFFFAOYSA-N 369.715 4.898 0 40 FJAB Fc1ccccc1-c1nc2cc(Br)cc(Br)c2[nH]1 226343124 KBUOQDVCNJVKMV-UHFFFAOYSA-N 370.019 4.894 0 40 FJAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 257255506 KHTJDZWTYBGSGP-FQEVSTJZSA-N 373.460 4.567 0 40 FJAB Fc1ccc(COc2cccc(C(=S)NCCc3ccccc3)c2)cc1 408573833 KWAUPNPMUVNREM-UHFFFAOYSA-N 365.473 4.913 0 40 FJAB COc1cccc2cc(C(=O)NCc3ccc(Cl)cc3Cl)oc12 408701839 GWMRERHSBFDHSS-UHFFFAOYSA-N 350.201 4.678 0 40 FJAB Cc1ccc(OCCSc2nnc(C)n2-c2ccc(Cl)cc2)cc1 409101401 XNSPFCDKEYBOPA-UHFFFAOYSA-N 359.882 4.709 0 40 FJAB C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCCCc1ccncc1 730447456 AKUSXLKZQICOIC-CYBMUJFWSA-N 352.261 4.743 0 40 FJAB CCOc1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1F 1622930996 PLQNWSZSYNHBPL-WBVHZDCISA-N 356.441 4.709 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1 831502 QBUMROREUJJGEX-UHFFFAOYSA-N 366.848 4.652 0 40 FJAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N(C)C2CCCCC2)cc1 883925 OJLXWMMIYKCGBJ-OAQYLSRUSA-N 367.541 4.841 0 40 FJAB CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccco1)c1ccccc12 952052 KMNAHRJDABQYPJ-UHFFFAOYSA-N 364.353 4.883 0 40 FJAB Cc1cc(F)ccc1NC(=O)CCCOc1ccc(Br)cc1 3407668 OEHHGCGJCVQZQF-UHFFFAOYSA-N 366.230 4.694 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@@H]1CCCN2CCCC[C@H]12 4029814 PAORRCPMNVMKQF-BLLLJJGKSA-N 357.281 4.806 0 40 FJAB biogenic Cc1ccc2c(c1)c1c3n2CCN(C(=O)Cc2ccc(F)cc2)[C@@H]3CCC1 4708362 WMFJTQGAOGRTCA-OAQYLSRUSA-N 362.448 4.551 0 40 FJAB Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccc(C)cc3c2=O)cc1 4936817 HRZGERRJKXXWDF-UHFFFAOYSA-N 367.448 4.898 0 40 FJAB Cc1cc2oc(-c3ccccc3Cl)c(O[C@H](C)C(=O)O)c(=O)c2cc1C 5580118 YSNGWXLFGHHFDO-GFCCVEGCSA-N 372.804 4.582 0 40 FJAB Cc1cccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 6814868 ILKGIWBPJZOZSO-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB Cc1cc(C)cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 7003408 ZFMUQICEVHLTTL-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1 7599329 VAAKFLQKCKFOLZ-UHFFFAOYSA-N 352.390 4.877 0 40 FJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1nccs1 7654937 NZXHILFPYPLSMS-UHFFFAOYSA-N 370.286 4.755 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 8041253 XSJHVUADJVZGQD-HNNXBMFYSA-N 368.658 4.899 0 40 FJAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 10542540 YQODVIPCECSZPY-KRWDZBQOSA-N 361.441 4.560 0 40 FJAB Cc1ccc(OCC(=O)N[C@@H](c2cccs2)C(C)C)c2c1[C@@H](C)CC2=O 11052952 RDOYMGYYTNQITL-LHSJRXKWSA-N 371.502 4.639 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3ccccc3)s2)cc1 12995395 UDIOHCOYGLDWPK-HNNXBMFYSA-N 366.486 4.830 0 40 FJAB O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 16741955 PUMHWCUQNQAHMK-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB O=C(NC1CCCCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18184324 KOBRLVWJGDMPLJ-UHFFFAOYSA-N 364.367 4.955 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 20482454 RANKGAZPNXXJJI-UTKZUKDTSA-N 355.478 4.675 0 40 FJAB CCCn1ccnc1SC[C@@H](O)Cn1c2ccccc2c2ccccc21 25059030 VLUAIQMLPYNAIB-INIZCTEOSA-N 365.502 4.554 0 40 FJAB FC(F)(F)c1ccc(-c2noc(CN(Cc3ccccc3)C3CC3)n2)cc1 25751132 RMKJMBWSRHEOLF-UHFFFAOYSA-N 373.378 4.920 0 40 FJAB CCCCCOc1ccc(S(=O)(=O)Nc2cccnc2)c2ccccc12 28251884 FNDBBSMBQLJZOW-UHFFFAOYSA-N 370.474 4.605 0 40 FJAB Cc1cc2nc(-c3ccc(Br)cc3)cn2cc1Br 32508814 WSAVNYYEIRNCQD-UHFFFAOYSA-N 366.056 4.835 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 44856339 VGIYDNIGQNEADS-NQIIRXRSSA-N 368.496 4.532 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1(C)C 46407734 CYELLZLMDCNBMP-FRQCXROJSA-N 352.478 4.772 0 40 FJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2cccc(OC(F)F)c2)C1 49543876 CHUSQFQJZLHZFY-MRXNPFEDSA-N 369.371 4.656 0 40 FJAB CC(C)(C)[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(F)(F)F 75104796 JOMAWPBXLQEEOA-CYBMUJFWSA-N 357.401 4.909 0 40 FJAB O=C(CCc1ccccc1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96231092 BDUXHPQWGNQCBV-SFHVURJKSA-N 352.865 4.948 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(C)c1 223032678 PHPCJPVVZXQKRM-QFBILLFUSA-N 357.519 4.893 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225565914 UMGNEGNGIUHPTR-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2 225584536 LTTPQEUYQCGTLK-FQEVSTJZSA-N 351.490 4.963 0 40 FJAB O=C(O)c1ccc(-c2ccc(CN3CCC[C@@H]3c3ccccc3)o2)cc1O 257221794 DQNKSSQZNXMGRL-LJQANCHMSA-N 363.413 4.688 0 40 FJAB Cc1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1C(=O)N(C)C(C)C 502442305 IBUGVFLYZJGTML-QGZVFWFLSA-N 368.525 4.960 0 40 FJAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(Cl)c(Cl)c1 1515868984 BZIJJMTYYXAWHF-HNNXBMFYSA-N 363.288 4.864 0 40 FJAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c(C)o1 1615160233 YAABRLJEZDBYJA-UZLBHIALSA-N 370.468 4.555 0 40 FJAB CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1 1065868 ZNNXJHMWQNPUBZ-HSZRJFAPSA-N 370.452 4.718 0 40 FJAB COc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 1413351 DLADOUFQVALWJL-JOCHJYFZSA-N 356.425 4.779 0 40 FJAB CCCCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 2052121 AWJSPAJXYRANRE-UHFFFAOYSA-N 352.809 4.752 0 40 FJAB Clc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 2453917 NEGKSTNJTNNGQM-UHFFFAOYSA-N 366.877 4.820 0 40 FJAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 2631365 XNIQOSNKFJHEPL-UHFFFAOYSA-N 352.203 4.629 0 40 FJAB CCc1ccccc1NC(=O)CCCOc1ccc(Br)cc1 3431865 BDRSZZFPIDCDFK-UHFFFAOYSA-N 362.267 4.809 0 40 FJAB Cc1ccc(-c2nc(COC(=O)COc3cccc(C)c3C)cs2)cc1 3447496 DCYOPAWIOOPWOI-UHFFFAOYSA-N 367.470 4.858 0 40 FJAB COc1cc(C)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 3452831 IOGINUYPXXZHKK-LLVKDONJSA-N 354.233 4.716 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2o1 3530274 OVRZCTWNAUXOFE-NSHDSACASA-N 358.850 4.551 0 40 FJAB CC(C)OCCCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 4124964 DBLGTYWSUIHMOD-UHFFFAOYSA-N 361.873 4.584 0 40 FJAB CCn1c(=S)sc2c(N3CCCCC3)nc(-c3ccccc3)nc21 4594353 CGIRGQFKEGUXBP-UHFFFAOYSA-N 356.520 4.899 0 40 FJAB CCOc1ccc(-c2cnc(NCc3ccc(C)cc3)n2CCOC)cc1 4679260 XKZVTLUJBVEBQY-UHFFFAOYSA-N 365.477 4.516 0 40 FJAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccs1 4909763 VOZOVUNMDBSWMO-KRWDZBQOSA-N 357.866 4.747 0 40 FJAB COc1ccc(NC(C)=O)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 6262387 ADKQMTIHNJQUSO-UHFFFAOYSA-N 368.220 4.604 0 40 FJAB C[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccccn1 6821461 UZNZDYCWCZEURI-QGZVFWFLSA-N 355.441 4.581 0 40 FJAB Cc1cc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)no1 6831790 HQGLSGNHIJZRQE-UHFFFAOYSA-N 366.421 4.662 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCCCC3)cccc2c1=O 7608959 CGGBVMQUOHJWFR-UHFFFAOYSA-N 361.441 4.831 0 40 FJAB Clc1ccccc1OCc1nc(-c2cccc(Br)c2)no1 7781337 LSEIHUKTRGXLER-UHFFFAOYSA-N 365.614 4.732 0 40 FJAB CCOc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1OCC 7985570 ZMDWFWQKZASMIF-UHFFFAOYSA-N 362.433 4.732 0 40 FJAB COc1ccc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1 8060856 RACJIRUGRLBBMJ-UHFFFAOYSA-N 372.877 4.711 0 40 FJAB C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8497931 VZEPBVSOILIOFC-NSHDSACASA-N 374.695 4.696 0 40 FJAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(Cl)cc1Cl 9071003 WJBPPFHAKIBPON-UHFFFAOYSA-N 356.253 4.641 0 40 FJAB Cc1ccccc1Nc1nc(CSc2nnnn2C2CCCC2)cs1 9594453 ZKKMAZAUXRUKEE-UHFFFAOYSA-N 372.523 4.589 0 40 FJAB COc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 11915206 RKVPMFXROACQBJ-UHFFFAOYSA-N 367.470 4.677 0 40 FJAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccc2ccccc2c1 12881489 TXWCCBCQZIGFPX-UHFFFAOYSA-N 356.828 4.703 0 40 FJAB O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)[C@@H]1CC=CCC1 13002563 SIAYDZOQYADNHN-GFCCVEGCSA-N 350.249 4.533 0 40 FJAB Cc1cccc(N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)c1 16297589 AWYKPPXLGBYZIM-UHFFFAOYSA-N 368.864 4.665 0 40 FJAB COc1ccccc1CN1CCCC[C@H]1c1nnc(-c2ccsc2)o1 19570422 HKGODNFOZAJXFL-INIZCTEOSA-N 355.463 4.534 0 40 FJAB COc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 20672245 KGNIOHUOAURDHJ-ZDUSSCGKSA-N 365.408 4.529 0 40 FJAB O=C(Nc1ccc(-n2cccn2)cc1)c1sc2ccccc2c1Cl 28242700 ZLKQNBQJQDVWJU-UHFFFAOYSA-N 353.834 4.993 0 40 FJAB CC(C)c1ccc([C@@H](NC(=O)CC(C)(C)CC(=O)O)c2cccs2)cc1 29010976 CSOBYKVVMICRAY-HXUWFJFHSA-N 373.518 4.968 0 40 FJAB COc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1OC(F)F 32622285 RGXDFAYMQWRZEP-UHFFFAOYSA-N 361.344 4.912 0 40 FJAB Cc1ccc(C(=O)C2CCN(C(=O)c3c(C)oc(C)c3C)CC2)c(C)c1 43773558 DYWOMTBYUXFVKW-UHFFFAOYSA-N 353.462 4.557 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1C 44837249 NCRLRNMZFUCLBN-UHFFFAOYSA-N 370.250 4.708 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccccc1C 44842478 HMTCUZLNBXDGFP-NRFANRHFSA-N 371.546 4.819 0 40 FJAB Cn1c(-c2ccccc2F)nn(CN(CC2CCCCC2)C2CC2)c1=S 58434813 KEPKWIAAFQECJP-UHFFFAOYSA-N 374.529 4.759 0 40 FJAB Cc1n[nH]c2ncc(C(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)cc12 58478575 CNJWHQMMGYRDMW-LJQANCHMSA-N 362.477 4.541 0 40 FJAB Cc1sc2nc(-c3ccc(F)cc3)[nH]c(=O)c2c1-c1ccc(F)cc1 58572062 UAACUOAQMTXGSI-UHFFFAOYSA-N 354.381 4.905 0 40 FJAB Cc1ccc2c(Cl)c(C(=O)NCC[C@H](O)c3ccccc3)sc2c1 72243113 XIOQPSMWUYMHIE-HNNXBMFYSA-N 359.878 4.717 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72348668 VTNRIVKQFTWWAC-HXUWFJFHSA-N 374.459 4.831 0 40 FJAB O=C(c1ccco1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396366 IQENAXQLNOQHRJ-QGZVFWFLSA-N 371.440 4.843 0 40 FJAB COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cc1F 78875828 AVGRYIVZMBEBQU-QWHCGFSZSA-N 368.235 4.561 0 40 FJAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1F 85397496 SBKJTSNRBFAWIG-UHFFFAOYSA-N 357.406 4.623 0 40 FJAB CCC(CC)NC(=O)C(C)(C)[C@@H](O)c1cccc(OCc2ccccc2)c1 89943154 HGQHPKOEMJYKPE-NRFANRHFSA-N 369.505 4.630 0 40 FJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccncc1)O2 101509479 FTNHRSONTISOAJ-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB C[C@H](NC(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103353112 DVTHFBWCYCKFML-BVPXEZJJSA-N 373.500 4.639 0 40 FJAB COc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)c(OC)c1 104818737 QIHCPHYNJRAFHF-IHRRRGAJSA-N 372.490 4.592 0 40 FJAB CC(C)N(Cc1cccn1C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222559769 JFAZEORJKJYQIR-UHFFFAOYSA-N 372.900 4.660 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)N1CCc2cc(Br)ccc21 222943997 UGXNHKITWXREAJ-UHFFFAOYSA-N 371.061 4.959 0 40 FJAB O=C(c1ccccc1NC(=S)Nc1ccc(F)cc1)N1CCCCCC1 225459734 YCQVLWLKDPCVQD-UHFFFAOYSA-N 371.481 4.651 0 40 FJAB CC(C)Oc1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 225523057 XJFOJWUHUXCGFR-UHFFFAOYSA-N 368.424 4.979 0 40 FJAB Fc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 247542640 SVFQQPZSZOXLGQ-BWAGFHJFSA-N 370.899 4.891 0 40 FJAB Cc1ccccc1N1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 408532350 MKEHBEAVSNUXON-UHFFFAOYSA-N 356.425 4.549 0 40 FJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1ccc(Cl)cc1 408729335 DQNZFAJLBCRUFU-DHDCSXOGSA-N 362.813 4.585 0 40 FJAB C[C@H](C(=O)Nc1nc2cc(F)ccc2n1C)c1c(Cl)cccc1Cl 608485227 PBEKBVMUEAZGCG-VIFPVBQESA-N 366.223 4.761 0 40 FJAB O=C(Nc1ccccc1)O[C@H]1CCCC[C@@H]1OC(=O)Nc1ccccc1 1744516 WHRUJUFRBGPAQV-ROUUACIJSA-N 354.406 4.795 0 40 FJAB COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 1965006 OCHNFNGBBYAIRW-XBXARRHUSA-N 352.217 4.663 0 40 FJAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 2052182 BBFKFJXZFCNZHK-UHFFFAOYSA-N 367.474 4.888 0 40 FJAB O=C(Nc1c(F)cc(Br)cc1F)C(Cl)=C(Cl)Cl 2158255 JUKJEQIMAWNJCV-UHFFFAOYSA-N 365.388 4.551 0 40 FJAB CC1(C)Cc2c(sc3nc(NCc4ccccc4)nc(Cl)c23)CO1 2450387 FDPCNCDPIYJKIO-UHFFFAOYSA-N 359.882 4.808 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3262576 RGMKVPGSJJROEE-UHFFFAOYSA-N 366.244 4.912 0 40 FJAB Clc1ccc(OC[C@H]2CO[C@H](c3ccc(Br)cc3)O2)cc1 4782708 BYCGUPJLPVVBJI-HOTGVXAUSA-N 369.642 4.596 0 40 FJAB O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 5192329 YNZXKQUQSCXMIE-UHFFFAOYSA-N 362.426 4.819 0 40 FJAB CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 5875964 YTUUGNMUVPWSMD-HNNXBMFYSA-N 354.450 4.711 0 40 FJAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](CC)C4)N2)ccc1O 5984706 IDKNQQFIIMRUII-ADLMAVQZSA-N 372.490 4.796 0 40 FJAB CN(C)C(=O)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 6842016 CVYVKKKHNUQEMD-HNNXBMFYSA-N 362.907 4.871 0 40 FJAB O=C(OCc1c(Cl)cccc1Cl)c1cncc(Br)c1 6944256 PVJWYZLNUPTRIU-UHFFFAOYSA-N 361.022 4.508 0 40 FJAB O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 7321672 KPAANHHYLJMAJO-UHFFFAOYSA-N 367.861 4.917 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 7406648 DGABNKWOPUKSBT-UHFFFAOYSA-N 365.458 4.638 0 40 FJAB Cc1cccc(NC(=O)c2sc(=S)n(-c3ccc(F)cc3)c2N)c1 7499927 ONYKTAUNWXIHJS-UHFFFAOYSA-N 359.451 4.550 0 40 FJAB Cc1nnc(S/C(=C\c2c(OC(C)C)ccc3ccccc23)C(=O)O)o1 7603828 ZBADGYHHDJPUMC-YVLHZVERSA-N 370.430 4.536 0 40 FJAB COc1ccc(C)cc1CSc1nnc(NCc2ccccc2)s1 7819711 XJLINMGYRFFTMQ-UHFFFAOYSA-N 357.504 4.760 0 40 FJAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccccn3)ccc12 9419469 VPHFYZNFPHPFKU-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB O=C1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)c2sccc2N1 12428770 JKIYGHDOZIKPIV-QGZVFWFLSA-N 353.418 4.940 0 40 FJAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 12792566 KJEYVSGMWLBADA-BETUJISGSA-N 363.914 4.527 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(OCc2cscn2)cc1 12917436 OXPMIIJJCVAXRM-UHFFFAOYSA-N 362.813 4.767 0 40 FJAB CC(=O)Nc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1 13140943 OWVWERAJCIQWEY-UHFFFAOYSA-N 358.397 4.726 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)cc1 15623371 VTXTVURFRHUWDD-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB C[C@@H](Sc1ccccc1Br)c1nc2ccccc2c(=O)[nH]1 16549000 COASAZRQRJOONF-SNVBAGLBSA-N 361.264 4.539 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1 17073411 GUGWDNBEHLSAHR-MDWZMJQESA-N 354.881 4.978 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN(CCCc4ccccc4)C3)o2)s1 19217598 HBBAPVCHBWCYKO-SFHVURJKSA-N 367.518 4.919 0 40 FJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc2ccccc12 20138929 NXHAWVWFVZAOLK-UHFFFAOYSA-N 373.408 4.853 0 40 FJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccco1)Cc1cccs1 22612837 TVEXVQZOSMGLBX-UHFFFAOYSA-N 361.850 4.846 0 40 FJAB C[C@@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)c1nc(C(C)(C)C)no1 24716398 WBMMBIOBFADARG-HCRIHEDKSA-N 355.467 4.509 0 40 FJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2N2CCCCC2)c1 33028259 MNBWLJXXILGASK-UHFFFAOYSA-N 364.489 4.895 0 40 FJAB Cc1ccc(-c2cc(C(=O)NC[C@H](C)Oc3ccc(Cl)cc3)no2)cc1 41155697 OGBINFHXKZCLJV-AWEZNQCLSA-N 370.836 4.501 0 40 FJAB COc1cccc(-n2nnc(-c3nc(-c4ccccc4F)cs3)c2C)c1 67341694 ZZADDOWVHMCZJZ-UHFFFAOYSA-N 366.421 4.514 0 40 FJAB O=[S@](Cc1coc(-c2ccccc2)n1)Cc1csc(-c2ccco2)n1 71801161 PGVMASGELYBQAT-VWLOTQADSA-N 370.455 4.507 0 40 FJAB CCCCOc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)[nH]n1 72331602 QNFLWHYIFQGQEX-MRXNPFEDSA-N 363.461 4.747 0 40 FJAB O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccccc1 96012498 TXIIEYNPWFOMKX-SFHVURJKSA-N 350.805 4.925 0 40 FJAB O=C(CCc1ccccc1F)N(CCc1cccs1)Cc1ccoc1 96120673 TWAKJLUYLUHVOM-UHFFFAOYSA-N 357.450 4.684 0 40 FJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 224536200 QTAXQSLQAFJCEL-KRWDZBQOSA-N 364.961 4.885 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc2ccccc12 225793176 MKFXJRVUZUOCHD-UHFFFAOYSA-N 353.425 4.781 0 40 FJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)o1 226338565 SBQVPPOVULFGLE-XBXARRHUSA-N 362.216 4.708 0 40 FJAB CC(C)CN(C(=O)c1ccnn1C1CCCC1)[C@H]1CCCc2cccnc21 330034604 WNPZWHAAURDEFO-IBGZPJMESA-N 366.509 4.569 0 40 FJAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 408629024 IKOBOCZNIHIIGC-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB CC(C)(C)c1ccc(C2CCC(NC(=O)CCc3cncnc3)CC2)cc1 552125829 NQXQVEWRFFOMOB-UHFFFAOYSA-N 365.521 4.549 0 40 FJAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc2C1 795398 NODJVQPUDBAFIW-UHFFFAOYSA-N 369.273 4.857 0 40 FJAB O=C(c1c(F)cccc1F)N1CCC(c2nc3ccccc3s2)CC1 1327614 ZWNTZFDXFZIBAC-UHFFFAOYSA-N 358.413 4.594 0 40 FJAB O=C(C(c1ccccc1)c1ccccc1)N1CCCC[C@@H]1c1cccnc1 2295031 MNQZZUFJWQVIFR-JOCHJYFZSA-N 356.469 4.967 0 40 FJAB biogenic CCSc1nnc2c(n1)O[C@H](/C=C/c1cccs1)Nc1ccccc1-2 2741280 VXYTZKLSFNYRRI-BOLDSZDNSA-N 368.487 4.556 0 40 FJAB Cc1cc2oc(=O)cc(COc3ccc4c(c3)OCO4)c2cc1C(C)C 3317579 YWTXLXOKXCBPTE-UHFFFAOYSA-N 352.386 4.533 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4Cc5onc(C)c5[C@@]4(C)CC[C@H]32)C1 4024849 FLJCISDPSGXWGJ-PSZCFUFSSA-N 369.505 4.891 0 40 FJAB Cc1ccccc1-c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 4072447 BZYCNEDIPNCPRJ-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCCCO2 5404340 CPVWHNNZPZUETA-UHFFFAOYSA-N 371.742 4.772 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N1CCCCC1=O 5441742 OHAFCOCGWRQTQV-UHFFFAOYSA-N 366.461 4.551 0 40 FJAB O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6506866 KOTFGUIEHHQFOD-QFIPXVFZSA-N 369.468 4.596 0 40 FJAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(COc2ccccc2)o1 6852816 HPARUWFTRIFRRL-SFHVURJKSA-N 365.454 4.826 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1cccnc1Sc1ccccc1 12586526 ORFQMRZUHIPDLG-KRWDZBQOSA-N 362.498 4.984 0 40 FJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@@H]1c1cccnc1 12736300 COYPIASMGSKTGQ-LJQANCHMSA-N 360.482 4.886 0 40 FJAB CC[C@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 12765000 OEVYRDWWLGCQHD-VIFPVBQESA-N 353.285 4.866 0 40 FJAB CCN(Cc1cc2cc(C)ccc2nc1O)C(=O)c1cccc(Cl)c1 13483405 AVYKIIRATKKJIF-UHFFFAOYSA-N 354.837 4.565 0 40 FJAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 14258425 CJEBCAJWPMFZOH-UHFFFAOYSA-N 351.233 4.840 0 40 FJAB Cc1ccc(C)c(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)c1 17837481 XVOKQEQPPWHHIQ-RCCKNPSSSA-N 368.436 4.943 0 40 FJAB Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CC=C(c2ccc(F)cc2)CC1 19581400 MSHAKHSQENXAFY-NRFANRHFSA-N 368.427 4.577 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20455020 CQEHNIDCESMJPA-INIZCTEOSA-N 353.340 4.510 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 20482670 MSIKWEXEHVNTGO-QGZVFWFLSA-N 357.519 4.813 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1 20489356 XNOAWTANCCMHNO-AWEZNQCLSA-N 363.910 4.578 0 40 FJAB CCc1ccc(-c2nc(CSc3nnc4ccccn34)cs2)cc1 21258111 ZPWXJYMGIUUDGZ-UHFFFAOYSA-N 352.488 4.708 0 40 FJAB C[C@H](NC(=O)CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 24211839 DUAFBVFLQKCZAP-AWEZNQCLSA-N 361.470 4.686 0 40 FJAB COc1ccccc1[C@@H](C)N(C)C(=O)Cc1c(C)nc2ccccc2c1C 25113057 LOQKHHWLZBYCHS-QGZVFWFLSA-N 362.473 4.622 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)CCc2ccccc2)s1 29561895 BMMVEXRQWJJOHF-AWEZNQCLSA-N 370.543 4.860 0 40 FJAB COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 31678038 MAHVKSNUKMYGIA-HNNXBMFYSA-N 371.477 4.545 0 40 FJAB Cc1ccc(-n2ccnc2SCc2nc(-c3cccc(F)c3)no2)cc1 33278093 QRQDKESTANMBSB-UHFFFAOYSA-N 366.421 4.662 0 40 FJAB CNC(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1 36393043 TWCKHTQAEUYTLR-UHFFFAOYSA-N 350.462 4.655 0 40 FJAB C[C@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1(Cl)Cl 36791074 MIEJSVKEIFWVJI-GXFFZTMASA-N 350.698 4.577 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 40135232 VJNLGOVNINZWAW-MRXNPFEDSA-N 357.523 4.727 0 40 FJAB Cc1cc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c(C)o1 56907282 XHGXVZAYOHPGTM-UHFFFAOYSA-N 358.206 4.567 0 40 FJAB CCCN(CC)c1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 62581153 ITYFHJWLEWJPTB-UHFFFAOYSA-N 367.518 4.805 0 40 FJAB Cc1ccc(NC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)c(C)c1 72280558 XEWXZPDDAQHTGN-SFHVURJKSA-N 365.521 4.857 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](C2CCCCC2)S1 96117810 DIRCOVAOEBNQQC-ZBFHGGJFSA-N 363.527 4.725 0 40 FJAB CCc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cccc(Cl)c2)C(=S)N1 101170040 SUQOMLUYSBDCQW-QFBILLFUSA-N 358.894 4.837 0 40 FJAB CCOc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 218978383 CGBAEXKAWVIWIR-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 219330153 ZBHDYCBJNKZRDX-QFIPXVFZSA-N 369.505 4.609 0 40 FJAB Cc1cc(Cl)cnc1NC(=S)NCc1ccc(-c2ccccc2)o1 223909786 KGQJPSTXFATGOI-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(Cl)cc1 224154313 NHAKUVXOFGNECA-UHFFFAOYSA-N 359.853 4.600 0 40 FJAB Cc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1C 225733681 WLTRSPURQJMGDM-UHFFFAOYSA-N 361.938 4.939 0 40 FJAB O=C(CCc1cccc(Cl)c1)NCCc1ccc(-c2ccoc2)s1 390830971 ORHPFQJFRBTLSY-UHFFFAOYSA-N 359.878 4.953 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)c(C)c1 408696570 ATGMSQDVOORUCM-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 408927015 XKMILGXKLKISIE-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB CC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12 922163 RFWFCGZFCNFMDR-UHFFFAOYSA-N 374.412 4.619 0 40 FJAB Brc1c(OCc2cn3ccccc3n2)ccc2ccccc12 944836 KBFKMKCYKVPQAV-UHFFFAOYSA-N 353.219 4.829 0 40 FJAB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 984316 IMGMZOMFSCDBCO-KRWDZBQOSA-N 357.251 4.537 0 40 FJAB CC(C)Sc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@H](C)CC4 1339690 MDFTXCJJNZZISC-SNVBAGLBSA-N 358.536 4.842 0 40 FJAB C[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3243196 JTPSIYOXNYOECV-SNVBAGLBSA-N 371.742 4.543 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccccc4)N(C)C)c23)C1 3285402 CVERDUYFQPGPKY-PBHICJAKSA-N 366.534 4.531 0 40 FJAB Cc1sc2ncnc(Oc3ccc4c5c(c(=O)oc4c3)CCC5)c2c1C 3568163 BEYGCXZKQWIDBC-UHFFFAOYSA-N 364.426 4.696 0 40 FJAB CCc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 3609813 UBYMZAROICDHCF-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1ccc(Br)cc1F 4070168 HXBPUVUXECKKOS-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CC(C)C 4267267 NQVGBLAITJVVJH-UHFFFAOYSA-N 366.417 4.678 0 40 FJAB Cc1cc(-c2ccccc2)c2ccc(NC(=O)c3ccccc3F)nc2n1 4931764 LUCHSALGPRYASV-UHFFFAOYSA-N 357.388 4.997 0 40 FJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N(C)C)cc2)cc1 6784529 VUKIPIPLELGARZ-UHFFFAOYSA-N 363.486 4.860 0 40 FJAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1-c1ccccc1 6881095 CGVAOTSJNKLNGO-UHFFFAOYSA-N 359.429 4.504 0 40 FJAB Cc1ccccc1OCC(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 7643504 QFRWRACLWAKPNJ-AWEZNQCLSA-N 374.893 4.552 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(Cl)c1 8051055 XAWDLMICUBRQLW-AWEZNQCLSA-N 354.233 4.798 0 40 FJAB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 8229576 ICXMHFHDPYRHMH-JOCHJYFZSA-N 357.457 4.772 0 40 FJAB COc1ccccc1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 12142850 GSLDCQYLLILIDG-UHFFFAOYSA-N 372.428 4.728 0 40 FJAB Cc1ccc(OCCN2CCC(c3nc(C)n4c(C)csc34)CC2)cc1 12221550 WPPJHNXMPNGUKH-UHFFFAOYSA-N 369.534 4.579 0 40 FJAB CCOC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2CC 12620518 GWBUAFKAMVXNPW-UHFFFAOYSA-N 374.440 4.965 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 12728025 VTTHCLMSBJZPMJ-LSDHHAIUSA-N 366.383 4.512 0 40 FJAB CC(C)(C)c1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 12938056 RXRAKXRQCRKFBR-GOSISDBHSA-N 353.462 4.794 0 40 FJAB CSc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 13002662 XQAIBNGDWZTYSJ-UHFFFAOYSA-N 366.490 4.864 0 40 FJAB CCc1ccc(C2=NN3[C@H](CCSC)Oc4ccccc4[C@@H]3C2)cc1 13758093 XOPSOKBNERJUMB-FPOVZHCZSA-N 352.503 4.872 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccccc1F 17178196 PLEPBCZGYGNCFC-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412098 MYZSNNKUNDHQCF-UHFFFAOYSA-N 367.445 4.827 0 40 FJAB CCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 21149739 OEQPGMWZXXHDQR-ZDUSSCGKSA-N 358.507 4.945 0 40 FJAB CCc1nc(COC(=O)C2c3ccccc3Oc3ccccc32)cs1 22653302 SNMCTSIEAMDBEF-UHFFFAOYSA-N 351.427 4.687 0 40 FJAB CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccn3)cs2)cc1 24828746 ZWFOPRWMQCLKJO-AWEZNQCLSA-N 351.475 4.820 0 40 FJAB O=C(c1ccccc1C(F)(F)F)N1CCC(c2nc3ccccc3o2)CC1 25438599 MECYTGAPDXDUQS-UHFFFAOYSA-N 374.362 4.866 0 40 FJAB COc1ccccc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 27747016 AZZVIICXENBKAB-FQEVSTJZSA-N 370.452 4.738 0 40 FJAB biogenic Cc1ccc(C)c(NC(=O)Nc2nn(Cc3ccccc3F)cc2Cl)c1 32610001 WNUZEPZCERZZFD-UHFFFAOYSA-N 372.831 4.985 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccsc2)NC(=O)N1c1ccc(C)cc1 32665945 RTIHEOUZGIVMHO-SFHVURJKSA-N 370.474 4.553 0 40 FJAB COc1ccc(OCc2cc(C(=O)NC3CCCCCC3)c(C)o2)cc1 32958631 XGPGMSRIIONRCG-UHFFFAOYSA-N 357.450 4.628 0 40 FJAB Cc1nc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)sc1C 36613641 SZOUUWNHKWGUFA-UHFFFAOYSA-N 370.459 4.585 0 40 FJAB Cc1[nH]c2ccccc2c1/C=C1/N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 38161058 BUZILAUUEJVSRM-AWQFTUOYSA-N 360.457 4.989 0 40 FJAB Cc1ccc(NC(=O)CCSc2ccccc2)cc1N1CCCCC1=O 38677678 HESWGGQQDANDEO-UHFFFAOYSA-N 368.502 4.633 0 40 FJAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 54362842 UIBXPSMTCKXQNS-CQSZACIVSA-N 359.853 4.614 0 40 FJAB Cc1cccnc1-n1cccc1CN(Cc1ccccc1)Cc1ccncc1 57797089 COCCGWGAWOUHMI-UHFFFAOYSA-N 368.484 4.778 0 40 FJAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cc(F)c(F)c(F)c1F 63962662 OGFZTOJRZSXIAX-UHFFFAOYSA-N 366.339 4.982 0 40 FJAB Cc1cnc([C@@H](NC(=O)CCCc2nc3ccccc3s2)C2CC2)s1 72296845 RTFLPVXBBBGSJV-SFHVURJKSA-N 371.531 4.651 0 40 FJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCC2)cc1 72328976 SEEWFHLWRHLZSO-UHFFFAOYSA-N 355.482 4.708 0 40 FJAB CC[C@H](C(=O)NCc1ccc(C(=O)c2cccs2)s1)c1ccccc1 90610556 BALXKTLYQSPIDX-INIZCTEOSA-N 369.511 4.851 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccc(C(C)C)cc1 219585761 GWTUWTRBTINGFG-FQEVSTJZSA-N 357.469 4.856 0 40 FJAB CC(C)c1ccccc1OCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222810614 QNAIAXLBHSCMHT-GOSISDBHSA-N 353.462 4.607 0 40 FJAB Cc1cc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 222852830 NIVBDENCSBYRSZ-KDOFPFPSSA-N 373.880 4.834 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1 223117511 WZMVJPJXBZMZFJ-JOCHJYFZSA-N 353.506 4.902 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COC(C)C 224432373 MNTFTKSTXJIVHV-AWEZNQCLSA-N 361.869 4.765 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(N)c1 226349153 PSLIWMVUHXFQOS-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 253617380 JVXLQGKEDVFQKL-WVYKEMLSSA-N 374.521 4.624 0 40 FJAB CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 408809796 JEYDYFDFJSIICX-NTUHNPAUSA-N 354.214 4.920 0 40 FJAB Cc1cc(/C=C2/SC(=O)NC2=O)cc(C)c1OCc1ccc(Cl)cc1 408850809 RNSARFMWNHEZJF-CXUHLZMHSA-N 373.861 4.860 0 40 FJAB Cc1cccc(CSCCNC(=O)CSCc2cc(C)cc(C)c2)c1 408921139 SWDAEDRXKGPQME-UHFFFAOYSA-N 373.587 4.895 0 40 FJAB O=C(CCn1ccnc1)NCc1ccc(Oc2cccc3ccccc23)cc1 512293983 IBGJEEMKJDNPNS-UHFFFAOYSA-N 371.440 4.535 0 40 FJAB CC(C)[C@@H](C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)c1cccnc1 684770197 OCIBMQJDZOJBGR-PKOBYXMFSA-N 358.869 4.505 0 40 FJAB Brc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1 666991 KYELCDGRALFDAK-UHFFFAOYSA-N 370.275 4.971 0 40 FJAB Cc1ccc(C)c(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)c1 948928 SCSHURJXFNYPEV-UHFFFAOYSA-N 352.386 4.764 0 40 FJAB biogenic CCOc1ccc([C@@H]2N(c3ccccc3)N=C(C(C)=O)N2C(C)(C)C)cc1 2138735 WIUWKIVQJKJRHG-NRFANRHFSA-N 365.477 4.607 0 40 FJAB CCCCCNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3294580 OOWKNYHEOCJFJC-UHFFFAOYSA-N 361.898 4.969 0 40 FJAB CN(C)c1nc(Oc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)n1 3469940 AXKKOSTYPLZRSW-UHFFFAOYSA-N 352.143 4.661 0 40 FJAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc(Cl)cc1 4120085 CKXLGAYFPCZNRB-UHFFFAOYSA-N 370.861 4.831 0 40 FJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC1CC1 4516614 HGKYHCZQSHABEI-CQSZACIVSA-N 364.470 4.768 0 40 FJAB O=C(Nc1ccc(/C=C/c2ccccc2)cc1)[C@@H]1COc2ccccc2O1 4539943 VECABBLRDPSGMP-NEQMZLFVSA-N 357.409 4.636 0 40 FJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 4741910 OTKXRVYTATYFPF-HXUWFJFHSA-N 361.445 4.622 0 40 FJAB COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1OC 4777195 OEUWFZRSZGZHMW-UHFFFAOYSA-N 361.441 4.741 0 40 FJAB COc1cccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)c1 5067116 RSLCPZQBCCKPIL-UHFFFAOYSA-N 366.424 4.953 0 40 FJAB Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 5256132 PYQMWTLESLSGSX-UHFFFAOYSA-N 352.413 4.589 0 40 FJAB Cc1noc(C)c1COC(=O)CSc1cccc2cccc(Cl)c12 5468620 BVSUMVUCZISQDY-UHFFFAOYSA-N 361.850 4.934 0 40 FJAB O=C(CCCSc1nnc(C2CC2)n1-c1ccccc1)c1cccs1 6128477 YSHLKZJPLSXNOF-UHFFFAOYSA-N 369.515 4.961 0 40 FJAB Cc1ccc2[nH]c(SCc3nc(-c4ccc(Cl)cc4)no3)nc2c1 6721546 VVTXXUANECXNFV-UHFFFAOYSA-N 356.838 4.867 0 40 FJAB CC(C)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 6786213 BVLPPQJLUJJZMX-OAHLLOKOSA-N 351.903 4.526 0 40 FJAB COc1cccc(CNCc2ccccn2)c1OCc1ccc(Cl)cc1 7276373 CBNYKZKZVIKFLM-UHFFFAOYSA-N 368.864 4.612 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1Cl 8480686 RGWGFLUGTYFFGJ-QGZVFWFLSA-N 352.261 4.776 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 8533644 IRBBMKOYOGJWND-QGZVFWFLSA-N 354.494 4.668 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2F)cc1 10280466 JCHICKWBXURZCV-HNNXBMFYSA-N 363.523 4.664 0 40 FJAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)OCCO2 13582483 YQIHEDQMSXGJMF-UHFFFAOYSA-N 363.438 4.861 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 13671234 JWBUJFYHDYZQDC-GFCCVEGCSA-N 363.866 4.636 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1 14399712 YNYFUQQXMQILGH-KRWDZBQOSA-N 371.546 4.801 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 17073398 MDOULFUYLYJLMY-AWEZNQCLSA-N 354.812 4.886 0 40 FJAB Cc1cccnc1[C@H](Cc1ccsc1)NCc1ccccc1-n1cccn1 19237651 CIRVADQAFPPWKM-FQEVSTJZSA-N 374.513 4.711 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3F)s2)cc1 19689540 IUXLSFQDHVOACJ-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 21962081 QFQVZLJDGXHBHE-QGZVFWFLSA-N 362.477 4.523 0 40 FJAB CCc1cccc2c(CNC[C@H](c3cccs3)N3CCCC3)c[nH]c12 22753879 HESDKZQYBYCBHJ-LJQANCHMSA-N 353.535 4.719 0 40 FJAB Oc1nc(CN2CCCCCC2)nc2cc(-c3ccc(F)cc3)sc12 24164307 VYDSLJCRRQZIMR-UHFFFAOYSA-N 357.454 4.579 0 40 FJAB CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)cc1 25513737 WKMNAQNMVYHFNW-SFHVURJKSA-N 363.910 4.849 0 40 FJAB CSc1ccc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)cc1 28719551 YZFRKANIYVCQDT-UHFFFAOYSA-N 361.879 4.833 0 40 FJAB Cc1nc2c(ccc3nc(NC(=O)NCc4cccs4)sc32)s1 44224856 VBSMDRFRERXJSX-UHFFFAOYSA-N 360.489 4.598 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1c1ccc(F)cc1 58393603 DVYLVVZYWNQJLW-FQEVSTJZSA-N 364.420 4.695 0 40 FJAB O=C(/C=C/c1c(F)cccc1F)Nc1ccnn1Cc1cccc(Cl)c1 58416779 WLFSVAZPJYBEIK-BQYQJAHWSA-N 373.790 4.515 0 40 FJAB C[C@H](Cc1ccccc1F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 59992626 LLMXIZRAIPXISS-CYBMUJFWSA-N 368.374 4.617 0 40 FJAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)C[C@H](c2ccccc2)O1 65522952 MENIKPIISWCXNA-YCRPNKLZSA-N 365.404 4.688 0 40 FJAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CCC(F)(F)F 72273064 MSRNHHFSRXOKQV-MRVPVSSYSA-N 360.228 4.885 0 40 FJAB CCC(CC)(NCc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1 76017841 ZRTURRGNHVKAMW-UHFFFAOYSA-N 358.917 4.535 0 40 FJAB Cc1csc(SCC2CCN(C(=O)Nc3cccs3)CC2)n1 90608141 BTQDBHPQMZITOB-UHFFFAOYSA-N 353.538 4.549 0 40 FJAB CCc1ncc(Cc2ccc3cccc(O)c3n2)c2cc(OC)c(OC)cc12 96102793 WBJAKXOIBNITGN-UHFFFAOYSA-N 374.440 4.659 0 40 FJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccco1 101336928 ZSRRFRACHKNNCM-UHFFFAOYSA-N 365.772 4.959 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 116096838 TTZHXHCLGKXDLZ-UHFFFAOYSA-N 370.452 4.704 0 40 FJAB CC(=O)N(C)c1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1 118389352 RVMNRNBOOBRBHP-UHFFFAOYSA-N 355.825 4.590 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=C\CO)[C@@]4(C)CC[C@@H]32)C1 118925024 MIPBKEDUAJVNOP-LMPKZAIASA-N 358.522 4.800 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc2c1 222761271 ZXXQYSULUHZPRX-UHFFFAOYSA-N 355.459 4.574 0 40 FJAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)c(C)c1 223135650 AVTDGIOCZJXBFY-FQEVSTJZSA-N 355.478 4.773 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(C)c2C)c1 223620155 PBVWLXQYLAAVTA-NRFANRHFSA-N 353.506 4.902 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224888214 BICRTAJZGLTLHA-RTBURBONSA-N 367.449 4.608 0 40 FJAB Cc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 225053736 DORQSMTXRQRFPH-UHFFFAOYSA-N 365.901 4.770 0 40 FJAB Cc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2ccncc2)cn1 257330006 XMJTZQNBGMPHLX-HXUWFJFHSA-N 359.477 4.651 0 40 FJAB CCCN1CC[C@@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@@H]12 306129143 HVRMBGCKDGCSBG-ILBGXUMGSA-N 371.528 4.919 0 40 FJAB COc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21 811896 YJQDXDKGJBHLTI-UHFFFAOYSA-N 361.397 4.553 0 40 FJAB Cc1ccc(CSc2nnc(CNc3c(C)cccc3C)n2C)cc1 878196 JTUFLZOXZHSFRJ-UHFFFAOYSA-N 352.507 4.645 0 40 FJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1 1397288 ZXGRUCREYUTPOI-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 2078975 MIIZZHZOHVMBKJ-UHFFFAOYSA-N 373.408 4.597 0 40 FJAB Cc1cccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)c1 2112762 ZPEFACNNTWSROD-UHFFFAOYSA-N 361.441 4.645 0 40 FJAB biogenic COc1ccc2c(CCNC(=O)c3ccc(-c4ccccc4)cc3)c[nH]c2c1 2326318 CLCODYSVQQMRMM-UHFFFAOYSA-N 370.452 4.816 0 40 FJAB biogenic Cc1cc(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)no1 2790814 RWYOXZRJNNOFMH-UHFFFAOYSA-N 358.753 4.705 0 40 FJAB COc1ccccc1/C=C(/C(=O)OCc1c(C)noc1C)c1ccccc1 3296015 ITKXIAHTVGMVNW-CPNJWEJPSA-N 363.413 4.584 0 40 FJAB Clc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1 3322487 UAYOAGKTPVYXEG-UHFFFAOYSA-N 365.614 4.732 0 40 FJAB O=C(/C=C/c1cccs1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3330529 HCHIUWAQSOUVOP-MDZDMXLPSA-N 360.434 4.759 0 40 FJAB O=C(O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12 3440409 NQUARGOVHABFHH-UHFFFAOYSA-N 373.865 4.700 0 40 FJAB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3)C[C@H]21 4176591 FODLTBILZCIWTG-OFNKIYASSA-N 371.440 4.723 0 40 FJAB CC(=O)N[C@H]1c2ccccc2C(=O)N1C1CCCCCCCCCCC1 4591766 YTUCJNDNOPXJLA-OAQYLSRUSA-N 356.510 4.950 0 40 FJAB O=C1C[C@@H](c2nc3cc4ccccc4cc3[nH]2)CN1c1ccc(Cl)cc1 4671023 PWFUFKJLMGFBEQ-OAHLLOKOSA-N 361.832 4.890 0 40 FJAB Cn1c(Cc2cccs2)nnc1SCc1c(F)cccc1Cl 4790926 PCXVPXLRVIWWKL-UHFFFAOYSA-N 353.875 4.552 0 40 FJAB CCN(CC)CC1(CC)COC(c2ccccc2)(c2ccccc2)OC1 4791836 UNIGJZQIOYNVPC-UHFFFAOYSA-N 353.506 4.673 0 40 FJAB COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c1ccc(C)c2C 4912314 LNIIOEDPGKZRRE-AWEZNQCLSA-N 360.251 4.549 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5615043 ZGWNWICKFXWUGK-UHFFFAOYSA-N 355.478 4.798 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 5953905 OXWGWSNSZDGUQM-KDOFPFPSSA-N 374.868 4.620 0 40 FJAB CCCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 6265011 YDZNIVPYEJHBMQ-LDADJPATSA-N 371.433 4.851 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 6880547 SWIWHTZDZOEUCB-INIZCTEOSA-N 369.461 4.784 0 40 FJAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(C2CC2)o1)c1ccccc1 7289318 XSDOWYQQLVISMO-INIZCTEOSA-N 369.421 4.558 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1Cl 7706372 DVVBOSOTENAXAM-UHFFFAOYSA-N 362.813 4.864 0 40 FJAB COc1ccccc1N(CC(=O)c1ccc(C)cc1C)C1=NCCCC1 8410437 VSVUXLITGQBZRI-UHFFFAOYSA-N 350.462 4.584 0 40 FJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(OC[C@@H]2CCCO2)cc1 8722837 NSJQOKYQMRYSNR-NUCSPZLJSA-N 357.837 4.550 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 8725530 JMAJVQUAPFYRPS-MRXNPFEDSA-N 359.539 4.838 0 40 FJAB Cc1ccc2nc(CSc3nnc(-c4cccc(Cl)c4)o3)cn2c1 12531943 SZFTVCHUOUVSFD-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB CN(C)[C@H](CNC(=O)C1(Cc2ccccc2)CCCCC1)c1cccs1 12948283 CGXKGFJPWBDWNY-LJQANCHMSA-N 370.562 4.660 0 40 FJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)C1CCCCC1 14094477 GFNBNKIWKNOQRD-UHFFFAOYSA-N 359.470 4.661 0 40 FJAB CCOc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3C)no2)cc1 15372276 SETXKPWUNMEALX-HXUWFJFHSA-N 363.461 4.781 0 40 FJAB Cc1cccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)c1 15840559 OCEFPRQSIHLQKG-UHFFFAOYSA-N 362.498 4.630 0 40 FJAB O=C(CCCc1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20725528 LDQWLWKIORAQDD-UHFFFAOYSA-N 352.865 4.729 0 40 FJAB biogenic Clc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 27222629 QWAXLQCDONGIRF-FQEVSTJZSA-N 351.881 4.752 0 40 FJAB CC(=O)c1sc(NC(=O)[C@]2(C)CC2(Cl)Cl)nc1-c1ccccc1 28640942 PGXHHGGSMLPVID-HNNXBMFYSA-N 369.273 4.535 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)C1(c2ccc(Cl)cc2)CCCC1 29571122 QUWJRBZJEXYNPG-UHFFFAOYSA-N 366.892 4.992 0 40 FJAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 32833411 FZHSLHSNNVHDAI-MRXNPFEDSA-N 350.462 4.766 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccc(F)cc3nc2C)cc1 32856153 OYBXOYONJLTOED-NRFANRHFSA-N 364.420 4.668 0 40 FJAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2noc(C3CC3)n2)c1 35539762 IUNVQZVCVPVZHP-UHFFFAOYSA-N 371.799 4.588 0 40 FJAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc2cc[nH]c2c1 40309934 IGAMVHWPQSFNBG-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4)ccc32)cc1 46078530 FAQHMIJOHMMPLY-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(F)cc1)NC2 55028085 HFEAFVSCMHIRPR-QFIPXVFZSA-N 366.436 4.606 0 40 FJAB Clc1ccc(CN(Cc2ccncc2)C2CC2)c(Br)c1 89768341 KLDRIDHVBNQOFB-UHFFFAOYSA-N 351.675 4.662 0 40 FJAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccc(Cl)s1 90610554 JAGRJMVUAGZKIS-UHFFFAOYSA-N 367.904 4.686 0 40 FJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c[nH]c12 106688528 OVCAADABPNVVOE-WQRHYEAKSA-N 362.454 4.967 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1 109477634 XTGAXMIEGUZKTA-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB O=C(Nc1cccc(F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 113934910 ZLLMHWATGXPTTP-UHFFFAOYSA-N 360.432 4.636 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(-c4ccccc4)c3)N21 222717933 QFAVEENCTTUDON-IOMROCGXSA-N 374.513 4.852 0 40 FJAB CCc1ccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 223448770 CXTLBWCVIMUQTL-LYBHJNIJSA-N 371.480 4.985 0 40 FJAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(F)(F)F 225807106 NVXSASMPLBYXHV-PXAZEXFGSA-N 359.388 4.638 0 40 FJAB COC(=O)c1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225862637 SSCKCFUGJZAQNE-UHFFFAOYSA-N 368.502 4.538 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccncc3)CC2)cc1 257301859 SAGIQTNRJCXHJC-UHFFFAOYSA-N 372.468 4.826 0 40 FJAB CC(=O)N1Cc2ccc(NC(=O)C/C=C/c3ccc(C(C)C)cc3)cc2C1 1336531453 LCIKONXEHNLDOQ-SNAWJCMRSA-N 362.473 4.714 0 40 FJAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1c(F)cc(F)cc1F 1776002396 NITJQXVWPHDIIM-UHFFFAOYSA-N 367.330 4.671 0 40 FJAB O=c1ccn(C/C=C/c2ccccc2)c(=S)n1C/C=C/c1ccccc1 1857700 LMJDRRZKQIAUGW-FNCQTZNRSA-N 360.482 4.806 0 40 FJAB CCCc1nc2sc3c(SC)ncnc3c2c2c1COC(C)(C)C2 2296653 GWBNPHQJWJZGHE-UHFFFAOYSA-N 359.520 4.765 0 40 FJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)cc2)cc1 2310928 WYQRFOJFYNTLRP-UHFFFAOYSA-N 366.424 4.953 0 40 FJAB O=C(CCSc1ccc(F)cc1)Nc1nc2c(F)cccc2s1 4496883 QTYFWBLUTNNUII-UHFFFAOYSA-N 350.415 4.695 0 40 FJAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2nc3ccccc3[nH]2)n1 4864930 WMFHOTCXRDCCNI-UHFFFAOYSA-N 373.460 4.607 0 40 FJAB CCc1cccc(C)c1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 6152438 TYRUTKMBGAPGHD-UHFFFAOYSA-N 361.367 4.565 0 40 FJAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1Cc1ccccc1 6587774 SJJIECLPRJDMKO-UHFFFAOYSA-N 369.468 4.828 0 40 FJAB CC(C)c1ccc(OCC(=O)N(Cc2ccco2)Cc2ccco2)cc1 6747373 NBGYAYPYWVZLPO-UHFFFAOYSA-N 353.418 4.604 0 40 FJAB CC(C)c1ccc(C(=O)Cn2cnc3sccc3c2=O)c(C(C)C)c1 7495401 NOLWAKLAIRUUIH-UHFFFAOYSA-N 354.475 4.588 0 40 FJAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1Br 7651549 WAYLEZGJVBPRJS-SNVBAGLBSA-N 370.649 4.662 0 40 FJAB COc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1F 8042087 ZCUDVLIWEAEMEZ-UHFFFAOYSA-N 368.433 4.973 0 40 FJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCCCCC3)sc2n1 8194232 MRJGBOBUMLEDMG-UHFFFAOYSA-N 353.491 4.720 0 40 FJAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H](C)C2CC2)c1 8429776 KCXAKGANUPCZHP-OAHLLOKOSA-N 363.436 4.515 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1)c1ccco1 8705660 AUXPQGVNIDZZMX-MRXNPFEDSA-N 366.442 4.571 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3cccc(F)c3)ccc1O2 9134973 ZRIISQHOAKTDNP-UHFFFAOYSA-N 362.360 4.744 0 40 FJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C(C)C)cc2)c1 9313747 GWWKXWKYFJEOCZ-UHFFFAOYSA-N 366.490 4.678 0 40 FJAB CCCOc1ccccc1NC(=O)CN(C)Cc1ccc2ccccc2c1 11286333 PBNAOBQPAQXCHP-UHFFFAOYSA-N 362.473 4.699 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccccc3F)cc(-c3cccs3)nc21 11327566 SJXXUNYCIWBYOD-UHFFFAOYSA-N 366.421 4.571 0 40 FJAB CCc1cc2c(-c3sc4nc(C)cc(C)c4c3N)cc(=O)oc2cc1O 11865325 YDVRIPHPDUGTAD-UHFFFAOYSA-N 366.442 4.537 0 40 FJAB biogenic O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1cc2cc(Cl)ccc2o1 12506779 ONFMZORZGQATED-MRXNPFEDSA-N 365.820 4.523 0 40 FJAB Cc1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1C 12823266 URDVVUSJVJJHIJ-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB COc1ccccc1CNC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 12982849 IETXQBIAAOHYSI-HXUWFJFHSA-N 366.486 4.654 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1ccc(CSC)cc1)O[C@@H](C)C2 12997621 AGWMLXDWSBZRBR-ZDUSSCGKSA-N 357.475 4.524 0 40 FJAB Cc1cc(NC(=O)c2cc(Cl)sc2Cl)n(-c2ccccc2)n1 13701156 LWVQXYCVPNIORJ-UHFFFAOYSA-N 352.246 4.801 0 40 FJAB CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 14049894 MURZCMVSUKZANN-UHFFFAOYSA-N 370.456 4.933 0 40 FJAB O=C1C[C@H](c2ccc(F)cc2F)c2sc(Nc3ccccc3)nc2N1 15110011 VBFVOUSSBOAPGM-CYBMUJFWSA-N 357.385 4.639 0 40 FJAB CCCCOc1ccc(NC(=O)COc2cccc(C)c2)c2cccnc12 15841090 YBNACWGDDNQROL-UHFFFAOYSA-N 364.445 4.740 0 40 FJAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 20110767 PZTGHWXTHRRSCI-OAQYLSRUSA-N 353.487 4.906 0 40 FJAB CC(C)c1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1 24650787 CPVFHRIIGNIIFY-UHFFFAOYSA-N 374.366 4.662 0 40 FJAB CCOc1cc2c(cc1NC(=O)CCc1ccccc1Cl)O[C@@H](C)C2 26886329 VQSCPBWVSNEFSU-ZDUSSCGKSA-N 359.853 4.633 0 40 FJAB CN(C(=O)c1csc(-c2ccsc2)n1)c1nc2ccccc2s1 26966017 XOQSSYZIENAVIX-UHFFFAOYSA-N 357.485 4.758 0 40 FJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4ccccc4c3)n2)C1 28683043 XMJLPXFYYTYERA-OAHLLOKOSA-N 365.502 4.781 0 40 FJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccccc1Sc1ccccc1 35889653 OBWXFODKMAXEFK-WXRFYESLSA-N 367.470 4.523 0 40 FJAB CC[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C)cc1 40086790 PBIWHSJUUQHIRK-OAQYLSRUSA-N 373.456 4.523 0 40 FJAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 40119460 LOJBDSMSWVWULX-HNNXBMFYSA-N 374.431 4.915 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)n[nH]2)cc1 51315473 WIFABRXOIDDDGH-UHFFFAOYSA-N 359.788 4.520 0 40 FJAB C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1 57668157 OEZUAWCNUBDECT-AUUYWEPGSA-N 354.450 4.593 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1OCc1ccccc1 72212077 KFRBPYHHUUULLY-SFHVURJKSA-N 354.450 4.733 0 40 FJAB CC(C)(C)c1ccc(NC(=O)N(CC(F)(F)F)C2CCOCC2)cc1 75166694 PDIUWMSWAVDWSL-UHFFFAOYSA-N 358.404 4.559 0 40 FJAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)o1 102730204 MOVVVHJWCNHYEC-PXNSSMCTSA-N 365.820 4.879 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(C)C 222561019 DAINZKSQOQEZAI-UHFFFAOYSA-N 367.898 4.890 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 224414149 ZZEFKFGKNNPJRB-MRXNPFEDSA-N 369.461 4.701 0 40 FJAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 225495755 NELVIXPRNMSELZ-GFCCVEGCSA-N 367.873 4.598 0 40 FJAB CCCCOc1ncc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C 225907557 JLSQXWMPLJOLLF-HXUWFJFHSA-N 350.503 4.883 0 40 FJAB Cc1ccc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 226236431 NHTWHQRDXVWLOG-UHFFFAOYSA-N 368.605 4.796 0 40 FJAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)cc3)oc12 226270533 JZEPITNEHVNYLC-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB CC(C)(C)OC(=O)N1CC[C@H]2O[C@@](C)(Cc3ccc(F)cc3)CC[C@H]2C1 257295415 QYFCWPFQNQJJAF-YRISNDGFSA-N 363.473 4.563 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2cccc(OC(C)C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257319925 VUQHEACDMHMZNU-FYRSZQHNSA-N 359.510 4.635 0 40 FJAB Cc1c(C(=O)Nc2nnc(-c3cc(F)ccc3F)s2)oc2ccccc12 526052225 GEPXRXBFUAOMFI-UHFFFAOYSA-N 371.368 4.790 0 40 FJAB CCS[C@@H](C)c1noc(CN2CCC3(CC2)C(C)=Nc2ccccc23)n1 602859516 CWYDJBZLRKQWSU-AWEZNQCLSA-N 370.522 4.524 0 40 FJAB CCOc1c(Cl)cc(C(=O)NCc2cccc3ccccc23)cc1OC 667552 FOBIKIRFVMADOZ-UHFFFAOYSA-N 369.848 4.831 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccc(Cl)cc1 1377843 TUEOKNBERHQRRE-ROUUACIJSA-N 374.937 4.717 0 40 FJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1 1953256 HJNHATUSLVUKHI-UHFFFAOYSA-N 369.417 4.983 0 40 FJAB O=C(NC1=NCCS1)c1oc2ccccc2c1CSC1CCCCC1 2626248 NEPYRRKRCAXXBQ-UHFFFAOYSA-N 374.531 4.831 0 40 FJAB Cc1ccc(C)c(SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 3230433 ZYDMYIAAXOTANW-UHFFFAOYSA-N 369.465 4.667 0 40 FJAB O=C(O)COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3419058 ASDYXBMJJKLGKR-UHFFFAOYSA-N 370.408 4.874 0 40 FJAB COC(=O)c1c(C)n(CCc2ccccc2)c2c1cc(O)c1ccccc12 3641309 HIYWCDCOQOALPB-UHFFFAOYSA-N 359.425 4.838 0 40 FJAB Cc1ccccc1CSC1=NCCN1C(=O)C12CC3CC(CC(C3)C1)C2 4120001 OSXFXHFTHUFDMX-UHFFFAOYSA-N 368.546 4.643 0 40 FJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccccc3)oc2cc1O 4177663 AHFTUOIBRVEFQS-GYHWCHFESA-N 364.445 4.593 0 40 FJAB CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 4540018 WLKKASIEYSRFHU-JOCHJYFZSA-N 371.436 4.956 0 40 FJAB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 4659919 DSSSSUOUNKZCDL-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cc(Cl)ccc1Cl 5441215 OYUMNMDRCSJXRY-UHFFFAOYSA-N 363.244 4.763 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OCC 6649571 KNEYADMGQSOTNP-DLBZAZTESA-N 355.478 4.855 0 40 FJAB COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 6882509 UVKVMPYLSIWFBZ-UHFFFAOYSA-N 351.849 4.955 0 40 FJAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(C(C)C)c2C)o1 7194059 VIZOTENMDKHXKS-UHFFFAOYSA-N 359.451 4.612 0 40 FJAB CCC(=O)Nc1ccc(-c2csc(Nc3ccc(OC)cc3)n2)cc1 7843976 VDXSVBJFGJRCSJ-UHFFFAOYSA-N 353.447 4.911 0 40 FJAB Cc1ccc(Nc2nc(CSc3nnnn3C3CCCC3)cs2)cc1 8026456 SACUZSZNSSRNLD-UHFFFAOYSA-N 372.523 4.589 0 40 FJAB FC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1ccccn1 8391757 SJCQXWYEXWTOMM-UHFFFAOYSA-N 360.364 4.622 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 8555320 GAPSDUSUEZGBDK-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB CC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccc(Cl)cc1 9355710 WBSPRKDPGUYRBQ-SFHVURJKSA-N 351.837 4.786 0 40 FJAB CCc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2)c2cccs2)cc1 9901150 ALSAPUJIWKUZLH-OAQYLSRUSA-N 353.462 4.898 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C(C)(C)C)cc1 10111734 PWJYRTLDXCJCLE-KXCGHJCSSA-N 351.446 4.603 0 40 FJAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 12533239 OGTBZLVRUQFBDO-LJQANCHMSA-N 368.484 4.844 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 12608922 QGSVAGSJASTIIC-HXUWFJFHSA-N 371.267 4.837 0 40 FJAB COc1cccc(/C=C/C(=O)Oc2ccccc2Cl)c1OC(F)F 14167548 GFOJAUPUKDZWSL-MDZDMXLPSA-N 354.736 4.569 0 40 FJAB O=C(/C=C/c1cccc2cccnc12)OCc1ncc(-c2ccc(F)cc2)o1 14898083 FCKGVEDYDNQHSF-DHZHZOJOSA-N 374.371 4.786 0 40 FJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1C 20138769 KBUWVTZRPSRWMB-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20459176 CFMUEJMTWZMMFO-FQEVSTJZSA-N 364.533 4.590 0 40 FJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1sc(C)nc1C 30476469 WMRZFSRKTFXMGY-UHFFFAOYSA-N 372.515 4.673 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(-c2csc(C)n2)c[nH]1 32781363 CCGKDLLSSDYMFC-INIZCTEOSA-N 357.504 4.658 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc2)cc1 36246990 PPOVGGKHTQZKPB-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OC 36815659 YHTRWILXJADIHG-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB CC(=O)c1c(C)cc(C)c(CSc2nnnn2C2CCCCC2)c1C 36879616 RLJINBUNZGUWQL-UHFFFAOYSA-N 358.511 4.598 0 40 FJAB C[C@@H](NC(=O)N(C)[C@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1 40135602 PNXWFHLFBKUQDZ-IIBYNOLFSA-N 363.436 4.713 0 40 FJAB CCCCc1cc(C(=O)OCC(=O)c2cccs2)c2ccccc2n1 41125371 WKSZLNLHILLCPS-UHFFFAOYSA-N 353.443 4.679 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)c(C)c1 44856554 YCUOZQKVOIBLKN-JOCHJYFZSA-N 350.506 4.780 0 40 FJAB Cc1sc2nc([C@@H](C)N3CCC[C@@H]3c3ccsc3)[nH]c(=O)c2c1C 48375155 SFQSUEAQEVWPDA-BXUZGUMPSA-N 359.520 4.561 0 40 FJAB C[C@@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 56553079 MDRRTQFFWYBARY-PXAZEXFGSA-N 364.276 4.996 0 40 FJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1Cl 58439495 CJXJTMMVNHTWFQ-UHFFFAOYSA-N 355.825 4.668 0 40 FJAB Cc1cccc(C2(C(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)c1 64743819 PCXJWOYJDXZMAS-UHFFFAOYSA-N 356.416 4.544 0 40 FJAB Cc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1Cc1cccs1 85572395 JQPNMKGAANAVQL-UHFFFAOYSA-N 370.543 4.517 0 40 FJAB CSc1ccccc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104070 UAHRMDSNMPIRTD-UHFFFAOYSA-N 355.507 4.528 0 40 FJAB COc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1 96194171 YDZDGHMJQVNBBE-UHFFFAOYSA-N 362.414 4.583 0 40 FJAB O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1)N1CCCCC1 96308887 GVGKJNZXCGGJJL-UXHICEINSA-N 354.519 4.639 0 40 FJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 106681364 QVPHPWISZSNBTB-AQTBWJFISA-N 353.443 4.712 0 40 FJAB C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccc(F)cc2)no1 141588953 YKXFMFHTSSJCTO-CYBMUJFWSA-N 372.827 4.885 0 40 FJAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3cc(C)ccc3C)ccc2c1 222839908 NGCKAYQEZYGRHM-MRXNPFEDSA-N 369.486 4.505 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224620535 VTJRJMRBQLULSA-OAQYLSRUSA-N 369.505 4.645 0 40 FJAB O=C(CSCc1ccc(Cl)cc1F)N[C@H]1CCCc2ccccc21 224917013 XXCASOVBYBQTCN-SFHVURJKSA-N 363.885 4.906 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 224923852 XNJYGYXDHCIXEK-KRWDZBQOSA-N 352.478 4.816 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 225286757 FOXSMYWBUYOZRS-UHFFFAOYSA-N 353.853 4.762 0 40 FJAB COc1ccc(CCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 225315451 NBOYPLMMYDQXEX-OAQYLSRUSA-N 355.478 4.540 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257271337 MXWKBDVSBJMVET-ZDUNFWRLSA-N 353.865 4.640 0 40 FJAB Cc1cccc(C)c1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409383855 LMRSPJOYYNQAKE-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB CCO[C@@H](C)c1nc(CN(C)Cc2cc(O)cc(C(F)(F)F)c2)cs1 518449245 HXUKEZIEZFZVAZ-NSHDSACASA-N 374.428 4.597 0 40 FJAB CSc1ccccc1CN(C)Cc1ccccc1-n1nnc2ccccc21 1560799163 XPALVRTUYQXDET-UHFFFAOYSA-N 374.513 4.774 0 40 FJAB O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)N1CCc2ccc(Cl)cc21 1682681593 HPZWITJSJPLSOY-HKUYNNGSSA-N 354.881 4.996 0 40 FJAB Cc1cc(NC(=O)c2c(F)cc(F)cc2F)n(-c2cccc(Cl)c2)n1 1776002397 NLUNBVFNWAEIRA-UHFFFAOYSA-N 365.742 4.504 0 40 FJAB c1ccc(CCN2CCC(c3cccc(Nc4nccs4)n3)CC2)cc1 2037834781 NSYNITODDLHVEP-UHFFFAOYSA-N 364.518 4.704 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1Br 1095888 DGULBMHYXPEEIT-UHFFFAOYSA-N 356.672 4.833 0 40 FJAB O[C@@H](CNc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21 2300381 XIOZTHVANPTYAM-KRWDZBQOSA-N 350.849 4.921 0 40 FJAB COc1cccc(OCc2ccccc2)c1C(=O)[C@@H]1O[C@H]1c1ccccc1 3120599 LVEKADWKKOAHFB-GOTSBHOMSA-N 360.409 4.597 0 40 FJAB O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1O 3327545 PWVFBZVMMSXOSI-UHFFFAOYSA-N 361.608 4.588 0 40 FJAB CN(Cc1ccc(Cl)c(Cl)c1)Cn1nc(-c2ccco2)oc1=S 3338214 AIILGFDGSRUXOE-UHFFFAOYSA-N 370.261 4.862 0 40 FJAB CC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 4070018 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CCOc1ccccc1NC(=O)CSc1cc(C)c2ccccc2n1 6623617 IZGOVAFWMIBDPG-UHFFFAOYSA-N 352.459 4.673 0 40 FJAB C=CCOc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7602917 VWYXGSGPEVKGSU-ATVHPVEESA-N 353.399 4.610 0 40 FJAB CCc1cc2c(SCc3nc(-c4ccc(F)cc4)no3)ncnc2s1 9314782 DLCUPBYXSOARJS-UHFFFAOYSA-N 372.450 4.735 0 40 FJAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)(C)C)c1 9461215 MAOFPDHPEAZTRU-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C(F)(F)F)cc1 11361845 QFRUDYKHGYFKES-UHFFFAOYSA-N 374.318 4.803 0 40 FJAB O=C(CCCC(=O)OCCCc1ccccc1)Nc1cccc(Cl)c1 12137304 MNIWBYIHBHIPOC-UHFFFAOYSA-N 359.853 4.625 0 40 FJAB C[C@@H](OC(=O)c1c(F)cccc1F)c1nc2ccccc2n1C(F)F 12559772 NUZNDZAAVPZDBS-SECBINFHSA-N 352.287 4.628 0 40 FJAB CC(=O)N(c1nc(CN(C)c2ccccc2)cs1)c1ccccc1F 12564012 ZXCPQWDBMLSXNU-UHFFFAOYSA-N 355.438 4.603 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 12897155 PCJRCSZIKCEYPJ-UHFFFAOYSA-N 352.459 4.951 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 13170181 LMSLKABDYIIIPD-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1 13675841 UJHTUEDWGAJHCB-UHFFFAOYSA-N 352.217 4.731 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)C[C@]1(CCC[C@@H](C)C1)O3 13689346 JXRQKIJTOOYLDC-MCMMXHMISA-N 354.446 4.968 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1Cl 15358282 VFKFVKGFDTXTRQ-SECBINFHSA-N 358.196 4.547 0 40 FJAB Clc1ccc(C2(CN(Cc3cccnc3)Cc3cccnc3)CC2)cc1 19338706 OYVOBPLOHGMBAE-UHFFFAOYSA-N 363.892 4.864 0 40 FJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(F)c2)cc1 20024634 BFIZLIQUAWYPAF-UHFFFAOYSA-N 358.351 4.914 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCCc1ccccc1Cl 20456936 ANFGUZWXIAYISB-UHFFFAOYSA-N 353.849 4.864 0 40 FJAB O=C(O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 21956275 SJOZRJUFOKUWMW-SNAWJCMRSA-N 360.232 4.927 0 40 FJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)cc1 23054883 GLAYTMSVHRKLOB-UHFFFAOYSA-N 369.852 4.751 0 40 FJAB CCc1ccc(C(=O)[C@@H](C)OC(=O)CCc2ccc3ccccc3n2)cc1 24194139 PGCHATSYVZUYPP-MRXNPFEDSA-N 361.441 4.544 0 40 FJAB COc1cccc(-n2ccnc2SCC(=O)c2ccc(Cl)cc2)c1 26044783 PQQWXBFBCCGGNL-UHFFFAOYSA-N 358.850 4.509 0 40 FJAB CC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 30730403 VNJAFBAYNRHOAP-UHFFFAOYSA-N 368.302 4.730 0 40 FJAB COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 31335153 KGNMJTTWJVTRJV-LLVKDONJSA-N 366.244 4.613 0 40 FJAB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OC 36815619 XAHJEVRDWMPDRU-UHFFFAOYSA-N 350.256 4.695 0 40 FJAB Cc1ccc(Oc2ccc(N(C)C(=O)Nc3cc(F)cc(F)c3)cc2)nn1 38670827 USLYISOXMPWGLZ-UHFFFAOYSA-N 370.359 4.524 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)ccc1Cl 41157049 FGRZXQFIIWAITJ-CQSZACIVSA-N 354.837 4.911 0 40 FJAB COc1ccc(Cl)c(NC(=O)c2cc(F)ccc2Br)c1 43318736 LYAWVKAFZISVHY-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)c1nc(C2CC2)no1 58195272 XNZZLVXURVKOMH-GFCCVEGCSA-N 370.840 4.748 0 40 FJAB O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccco1 58378254 JJMJHAUEMXSYAX-QGZVFWFLSA-N 356.219 4.562 0 40 FJAB CC(C)(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CC3CCCCC3)on2)C1(C)C 67890020 NLHKRVFJCWYGLH-APWZRJJASA-N 360.542 4.917 0 40 FJAB biogenic,in-vitro Fc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 72348814 WVBVSTFTLJPCFA-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349619 WBNMYEXGKKTHSS-SFHVURJKSA-N 352.453 4.784 0 40 FJAB CCn1ccnc1CN1CCC[C@@H](c2cccc(-c3cccc(C)c3)n2)C1 72350272 DHVLRAOLWHQFCX-HXUWFJFHSA-N 360.505 4.653 0 40 FJAB Cc1ccc(CN2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1C 72376435 RJKYUCMQJXJDES-FQEVSTJZSA-N 359.477 4.569 0 40 FJAB COc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1 96117999 AKIBNRDPGXHCNM-GOSISDBHSA-N 368.864 4.566 0 40 FJAB CCOc1ccc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cn1 206880856 QYUWCIRGBPCRJL-QGZVFWFLSA-N 358.869 4.544 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccccc1Cl)CC(C)(C)O2 220019244 COZDXZXLQXNPOF-SFHVURJKSA-N 373.880 4.700 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(OC)c(C)c1 223114758 HKJLLLUODMFOAS-KBXCAEBGSA-N 361.869 4.692 0 40 FJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc(C)c1Cl 223206273 IIJXJXLPACAOAN-OAHLLOKOSA-N 357.881 4.702 0 40 FJAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccccc2)CCCC1 223972365 MKPJXMNMSDMYBA-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB CC(C)(C)c1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1 224039376 LLJLEQUOLNNTMV-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN(C)c2ccccc2)c1 224152127 HEGWNEWAPWPEEZ-LJQANCHMSA-N 368.521 4.528 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2ccccc2F)cc1Cl 224211212 RJNIJYSSFIRGNU-UHFFFAOYSA-N 367.873 4.541 0 40 FJAB CCOCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC 224405626 PIKCMNXNOTXTLS-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 224439909 PVHUEGHPTHJTBH-LJQANCHMSA-N 355.478 4.521 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccccc1Cl 224474634 HVWQWBNVKOMHNR-CQSZACIVSA-N 361.869 4.846 0 40 FJAB CCCOCc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCC 224707618 YRMDOQTZFMLWNB-UHFFFAOYSA-N 357.450 4.581 0 40 FJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225521002 MVKSTXDGBWOPPN-UHFFFAOYSA-N 371.452 4.692 0 40 FJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c2ncccc12 225887261 KIQFWPHEWMREEG-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc(Br)c1O 226243401 GDCIWTIKNJBILV-QPJJXVBHSA-N 366.642 4.768 0 40 FJAB CCOc1nn(C)c2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 227166656 NRACTRPRDBJCJZ-UHFFFAOYSA-N 357.498 4.763 0 40 FJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)c1 409000259 YBNPCTAUBXUANV-PMVMPFDFSA-N 371.436 4.864 0 40 FJAB O=C(CCc1ccccc1)NCCSCc1c(Cl)cccc1Cl 409175339 XJRWMXMUJHTDOD-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CN(C(=O)c1ccccc1-c1ccccc1C(=O)O)C1CCC(F)(F)CC1 630296397 WGMPGHKNCPMADJ-UHFFFAOYSA-N 373.399 4.702 0 40 FJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC(c2cccnc2)CC1 678183207 LYAUZBBIEYBFNT-UHFFFAOYSA-N 367.346 4.651 0 40 FJAB O=C(NCc1cccc(C(F)F)c1)c1ccc(Nc2cccnc2)cc1 1632983801 FDCIKJQBFXTDAA-UHFFFAOYSA-N 353.372 4.693 0 40 FJAB COC(=O)c1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 643400 JKNXDARISWFGEN-UHFFFAOYSA-N 367.445 4.538 0 40 FJAB COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)c1ccccc1 710108 GRVCKNHJTXXDJF-QFIPXVFZSA-N 370.452 4.995 0 40 FJAB Cc1ccc(O)c(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)c1 920381 NXUSSGVQXTWVSH-UHFFFAOYSA-N 366.486 4.905 0 40 FJAB COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1 1340817 NQICQTZOWGIWQZ-HUUCEWRRSA-N 364.493 4.504 0 40 FJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(F)cc1 1353511 XEQUPPZEZDYMMJ-UHFFFAOYSA-N 366.367 4.545 0 40 FJAB COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(C)=O)cc1 1367660 NQOPUQPOAYETLN-UHFFFAOYSA-N 368.864 4.754 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 2652057 WSCADVZOWUTWDT-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB O=C(/C=C/c1ccccc1)Oc1ccc(OC(=O)/C=C/c2ccccc2)cc1 3130124 WRSMMCLSOINDTR-JYFOCSDGSA-N 370.404 4.924 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 3330116 HKVDBJGGGWJFTL-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1c[nH]c2ccccc12 4138454 ANBUHOGBHJYDHE-UHFFFAOYSA-N 354.866 4.909 0 40 FJAB COc1ccc(C2=NN(c3ccc(C=O)cc3)[C@@H](c3ccccc3)C2)cc1 5257503 ZOJHEOXUAKSTAO-HSZRJFAPSA-N 356.425 4.863 0 40 FJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c(F)c(F)c(F)c(F)c1F 6045248 XEAVSBRTDBPEJK-UHFFFAOYSA-N 370.321 4.625 0 40 FJAB O=C(CCCOc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219509 ALMGLTSCJCQTMF-UHFFFAOYSA-N 374.412 4.886 0 40 FJAB FC(F)c1nnc2n1N=C(c1ccccc1)/C(=C/c1cccs1)S2 6829552 ZOSCJPOAZHGMNK-XFXZXTDPSA-N 360.414 4.676 0 40 FJAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 7049393 OEFJASQUDWNDJJ-ZDUSSCGKSA-N 371.893 4.901 0 40 FJAB Cc1cc(O)c2c(c1)C[C@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C 8549449 VZUZGWPYCWZJQF-PWOCCLIDSA-N 366.501 4.505 0 40 FJAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1Br 12599169 JDAXNCZPQBVVKB-SNVBAGLBSA-N 361.264 4.550 0 40 FJAB Cc1cnc(NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)s1 12921085 CQWDZGQIQVRKKL-UHFFFAOYSA-N 369.490 4.876 0 40 FJAB C[C@@H](SCc1cccc(C(F)(F)F)c1)C(=O)NCc1cccs1 12987141 SLFCGLOALRHPPN-LLVKDONJSA-N 359.438 4.705 0 40 FJAB COc1ccc(-c2nc(/C=C/C(=O)OCc3ccc(F)cc3)cs2)cc1 16705904 XNQOTICNONLABF-DHZHZOJOSA-N 369.417 4.714 0 40 FJAB CN(Cc1ccc(Br)s1)C(=O)C12CC3CC(CC(C3)C1)C2 18107734 OKVQUTNNAZWYMW-UHFFFAOYSA-N 368.340 4.685 0 40 FJAB Fc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccccn3)on2)cc1 19401752 PYVAGUSBPVQRTI-HXUWFJFHSA-N 351.425 4.993 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)OCc1nc2ccccc2s1 24362579 CLUFVEAPPOEJAH-UHFFFAOYSA-N 364.426 4.546 0 40 FJAB Nc1ccc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c2ccccc12 24927157 ALRHJBVOGGFRSQ-GOSISDBHSA-N 374.387 4.830 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1cccs1 25406967 PZWULTGLJCHVSF-MRXNPFEDSA-N 352.459 4.699 0 40 FJAB CC(=O)Nc1c(C)nc(Nc2ccc(C)cc2)nc1Nc1ccc(C)cc1 28049275 FALLYOUXTQRTST-UHFFFAOYSA-N 361.449 4.847 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(C)cc1 30869489 HDQUXLFUCZJJSP-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)SCc2nc(-c3ccccc3C)no2)c1 31423363 ASMWIKQWXUMCAU-HNNXBMFYSA-N 367.474 4.614 0 40 FJAB Cc1cc(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)cc(C)c1Cl 31903628 DLQYSXIZAAOIAM-INIZCTEOSA-N 370.880 4.624 0 40 FJAB O=C(CCc1ccsc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 36718688 HQXBQIPZONCFSN-UHFFFAOYSA-N 365.458 4.963 0 40 FJAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2F)N1CCc1ccccc1 40485558 NSBXICCYXDELRZ-QFIPXVFZSA-N 373.427 4.921 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 43281566 STWSLJISJMPXQC-IBGZPJMESA-N 356.441 4.863 0 40 FJAB Cc1ccc(CN(Cn2nc(-c3cccs3)[nH]c2=S)C2CC2)cc1 48310557 VYGVUFSAIYNMEH-UHFFFAOYSA-N 356.520 4.600 0 40 FJAB CC[C@H](NC(=O)N[C@@H](CC)c1ccc(OC)cc1)c1ccc(OC)cc1 48324856 LBJGITJSOSMDDR-PMACEKPBSA-N 356.466 4.605 0 40 FJAB CCCc1ccc([C@H](NC(=O)Nc2cc(C)on2)c2cccs2)cc1 48326167 SVHABHAPUMKZHO-SFHVURJKSA-N 355.463 4.908 0 40 FJAB O=C(N(Cc1ccsc1)Cc1ccccn1)C1(c2ccc(F)cc2)CC1 49521605 CECONHIMYZEPJI-UHFFFAOYSA-N 366.461 4.543 0 40 FJAB COc1cc(COC(=O)c2ccc(C)s2)cc(Cl)c1OC(F)F 58638122 ARWBHBFCDPDJQJ-UHFFFAOYSA-N 362.781 4.677 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl 59317884 PILVTIPIAHQSKF-KRWDZBQOSA-N 371.908 4.897 0 40 FJAB O=C(O)c1cccc2cccc(C(=O)N3CCC(c4ccccc4)CC3)c12 59483636 RNROSPDRTOBUHU-UHFFFAOYSA-N 359.425 4.558 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)c1 72229064 FUBWPXIYKIHTTP-CQSZACIVSA-N 357.885 4.862 0 40 FJAB CN(C)c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N 72229407 FPWSOUYBDSBHFX-UHFFFAOYSA-N 358.656 4.547 0 40 FJAB CO[C@H]1CCCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)C1 96122485 YJPKLGPLFPSZBM-FQEVSTJZSA-N 360.457 4.707 0 40 FJAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2Cc2ccoc2)c1 100141179 DAIVFVWRPKSNGP-RXVVDRJESA-N 370.456 4.560 0 40 FJAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl 216748711 XPSBATUKOAHTAB-UHFFFAOYSA-N 362.212 4.788 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc(C)cc1C 219567313 RXOQHQLUCVSNCE-RBUKOAKNSA-N 355.478 4.737 0 40 FJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 222585757 VHCHUNRXZILKAO-GFCCVEGCSA-N 369.827 4.736 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223218046 XYQDVJMSSDMGLH-IRXDYDNUSA-N 351.490 4.943 0 40 FJAB CC(C)CNC(=S)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223879825 RUXMYDMXVAFOHA-UHFFFAOYSA-N 350.491 4.921 0 40 FJAB C[C@@H](NC(=S)Nc1ncc(Cl)cc1Br)c1ccccc1 223954181 ZZULBONFCHPWPJ-SECBINFHSA-N 370.703 4.545 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 224171534 RZSZJTVVEHVQEI-YLJYHZDGSA-N 355.478 4.655 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(C)cc1 225698378 GWWNOJPDSHFEAW-HSZRJFAPSA-N 365.517 4.780 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(Br)cc1F 225753750 BUFJNWAOQXUDME-LLVKDONJSA-N 367.287 4.944 0 40 FJAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccco1 408531699 WUJRZRIDQUZZAM-UHFFFAOYSA-N 358.353 4.748 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 408578494 VUMMDQCHQFPPIE-UHFFFAOYSA-N 357.475 4.515 0 40 FJAB CC1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2Cl)CC1 408629350 YBECZLHXGFCEHO-UHFFFAOYSA-N 370.107 4.885 0 40 FJAB CCCN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409238163 COOWRTZSAHSEJF-NTEUORMPSA-N 365.216 4.556 0 40 FJAB CCCN1C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409247014 FUIKXHVYXNOIIP-LCYFTJDESA-N 365.216 4.556 0 40 FJAB O=C(N[C@H](c1cccs1)C1CCOCC1)C12CC3CC(CC(C3)C1)C2 1565523725 YSFYGTLANBJNNP-IXYLRAAXSA-N 359.535 4.548 0 40 FJAB CC[C@@H](C)N1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@](C)(O)CC1(C)C 1276309 NSPNUFSFCCAZQP-PIGZYNQJSA-N 359.297 4.911 0 40 FJAB CCOC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccccc3)cc12 1447924 WDEIYPQGEPTABE-FMIVXFBMSA-N 350.370 4.537 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cc1 1516421 RYRGYLWFWQOVJZ-UHFFFAOYSA-N 356.219 4.863 0 40 FJAB CN(C)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1758887 OAKNQOGRECTGTA-JOCHJYFZSA-N 359.469 4.665 0 40 FJAB CC(C)CC[C@]1(CCNCc2ccc3c(c2)OCO3)CCOC(C)(C)C1 2110810 HAJXKEQGBKSSCO-QFIPXVFZSA-N 361.526 4.907 0 40 FJAB biogenic COCCSc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 2153567 GQTCWMJHWXHOBU-UHFFFAOYSA-N 356.274 4.984 0 40 FJAB Cc1cccc(C(=O)Oc2c(Cc3ccccc3)c(=O)oc3ccccc23)c1 2435033 NVFNIRJXCPGUIW-UHFFFAOYSA-N 370.404 4.911 0 40 FJAB CCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc21 2449111 MVOCRONXHNPLCJ-UHFFFAOYSA-N 350.447 4.617 0 40 FJAB O=C(c1cccc(CN2CCSCC2)c1)c1ccc(Cl)cc1Cl 2515307 YBWUNAKZPWAXRD-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB Cc1nc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2s1 2628017 CPGWZLJUEIXOIJ-UHFFFAOYSA-N 361.264 4.548 0 40 FJAB O=C(CCn1c(=S)oc2ccccc21)n1c(=S)oc2ccccc21 3066391 ACSBVERIGSPELD-UHFFFAOYSA-N 356.428 4.971 0 40 FJAB O=C(CSc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 3277252 YMUVSOBJABTLRN-UHFFFAOYSA-N 351.399 4.873 0 40 FJAB CC1(C)O[C@@H]2CC[C@H]3[C@@H](CC[C@H]2S1)C3(Br)Br 4350128 RZTMXISELRAISC-SGIHWFKDSA-N 370.150 4.529 0 40 FJAB Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c(C)c1 4619309 YUFNHDJLTOYPHC-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)c(C)c3)=NN21 5148923 AZXTUVGLPQWGGX-PZJWPPBQSA-N 352.503 4.926 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1Cl 5688965 PFXHPJBZFWTXMY-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCc2ccccc2C1 5938422 SUNIWELTMYVLLT-UHFFFAOYSA-N 350.506 4.930 0 40 FJAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccccc1 6818756 OIQLTEUAEWSSQB-UHFFFAOYSA-N 363.486 4.530 0 40 FJAB COc1ccc(SCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 7294721 AAFOPRANOFVMPQ-UHFFFAOYSA-N 358.488 4.534 0 40 FJAB CCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 7684926 XDDIMIUFLCGVQO-QGZVFWFLSA-N 350.487 4.879 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Br)cc1 8007196 BBJSJFDNPGYQKX-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CN(C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1 8306511 RGNXVKUKHIYQHG-UHFFFAOYSA-N 354.409 4.681 0 40 FJAB COc1cc(OC)c(OC)cc1CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 8534507 WBOVQSCIMKMMNA-UBWJNLJSSA-N 359.510 4.551 0 40 FJAB CCCCN1C(=O)C2=C(CCCC2)[C@H]1Nc1cccc(C(F)(F)F)c1 9246666 YKBIUBOPEBBKAY-KRWDZBQOSA-N 352.400 4.956 0 40 FJAB COc1ccc(SCCCC(=O)Nc2nc3c(s2)CCCC3)cc1 10217950 HFCKFTDNCCJGNR-UHFFFAOYSA-N 362.520 4.542 0 40 FJAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NCc1ccccc1Cl 10535928 ODQPCNKJPKAJII-JTQLQIEISA-N 374.815 4.551 0 40 FJAB 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4.553 0 40 FJAB CC(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 6752620 QSIKBZWECGKZKW-OAHLLOKOSA-N 367.880 4.866 0 40 FJAB Cc1ccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)cc1 6966314 JIOMMTRTGPUCCX-UHFFFAOYSA-N 356.882 4.702 0 40 FJAB COc1cc(OC)c(N[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1Cl 7092692 NSQMGTDPOVAMCM-GFCCVEGCSA-N 372.852 4.830 0 40 FJAB C[C@H](NC(=O)CN(C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 7583319 IEZHWEMEHSASTR-OXJNMPFZSA-N 362.473 4.619 0 40 FJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc3ncccc23)cc1 8340852 NQBQCPZEMWTIMX-UHFFFAOYSA-N 373.412 4.671 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 9136930 XKDDQCGVIUNJTQ-UHFFFAOYSA-N 350.462 4.635 0 40 FJAB CCc1ccc(-c2nc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cs2)cc1 10288438 RMIZRSZYLXEYHU-AWEZNQCLSA-N 368.424 4.787 0 40 FJAB CC[C@H](Oc1ccccc1)c1nn2c(-c3cccc(F)c3)nnc2s1 10311620 HYZVCGCKAQIXNR-HNNXBMFYSA-N 354.410 4.522 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 10366657 PEXDMRVKJHNKTO-GJZGRUSLSA-N 352.434 4.953 0 40 FJAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1ccc2cc[nH]c2c1 11867523 LTRNSMLKXAVMKC-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB COc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 13972021 NEGMZELVMUAVPB-UHFFFAOYSA-N 359.469 4.775 0 40 FJAB COc1ccc(C(=O)c2c(N)sc(C)c2-c2ccccc2)cc1OC 19776379 MWMABDAVBPZASL-UHFFFAOYSA-N 353.443 4.554 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 19933165 FIYOLSREAYMUAQ-JOCHJYFZSA-N 361.441 4.532 0 40 FJAB Cc1ccc(COc2ccc(CNCc3ccc(C(=O)O)cc3)cc2)cc1 20873754 MHHYPPBHHHFDGR-UHFFFAOYSA-N 361.441 4.562 0 40 FJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 23010655 LJQMFZAPZKIEGY-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB CC[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1 23114356 RJWXFEDCNFXZCI-LJQANCHMSA-N 360.457 4.584 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Cl)cc1Cl 36394140 MVQHZMBMTLPQRT-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB COc1ccc(S[C@H](C)C(=O)NCCc2ccc(C(C)C)cc2)cc1 44900194 OJEAWJDTVIBMTB-MRXNPFEDSA-N 357.519 4.658 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1OC 44900359 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354.233 4.798 0 40 FJAB Cc1cccc(CCCNC(=O)c2ccccc2OCc2ccccc2)c1 218986632 AXVCOCCVQCQLFO-UHFFFAOYSA-N 359.469 4.937 0 40 FJAB CC1(C)C[C@@H](NC(=O)CCSCc2ccccc2)c2ccccc2O1 218997475 IEIALSIIAIJGCH-GOSISDBHSA-N 355.503 4.729 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3)N21 222704896 PDBAWXFILPMOHI-ORYQWCPZSA-N 374.513 4.852 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222949084 PYPIRZIVPZGEOE-LSDHHAIUSA-N 351.928 4.569 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(F)cc1 224742080 QOWAXILQRVYEOH-JOCHJYFZSA-N 369.480 4.611 0 40 FJAB Cc1ccc(OCCNC(=O)[C@H](C)Cc2cccc3ccccc23)cc1C 224942976 YTTRINFHPPJPMN-LJQANCHMSA-N 361.485 4.830 0 40 FJAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C(C)C 225659067 KAQHALLZEJVJDR-UHFFFAOYSA-N 368.477 4.518 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)NCCCc1cccc2ccccc12 225794971 INONHJMXCRSQBD-UHFFFAOYSA-N 355.840 4.924 0 40 FJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1c[nH]c2ccccc12 575620725 SOYHZVVXNPOENI-UHFFFAOYSA-N 356.429 4.620 0 40 FJAB 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MLUKYQZFCRKVSG-XXQHSVDTSA-N 356.293 4.670 0 40 FJAB C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 5677010 LKHBFHADFVPHLH-AHBCHLHISA-N 367.228 4.591 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)cc1 5778840 WXDSBKXWNHSGFR-OAHLLOKOSA-N 367.474 4.781 0 40 FJAB O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810570 DSXWWYDFONREQF-UHFFFAOYSA-N 355.821 4.541 0 40 FJAB Fc1ccccc1-c1nnc(SC[C@H]2CC2(Cl)Cl)n1C1CC1 7047596 PCIIGOMXWSVYHQ-SECBINFHSA-N 358.269 4.705 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)NCCSc1ccc(Cl)cc1 8048947 UHTKIEKQNBBOQL-INIZCTEOSA-N 367.873 4.545 0 40 FJAB CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 8126681 RZYLYDVIVPJXJB-KRWDZBQOSA-N 363.288 4.941 0 40 FJAB Cc1cccc(-c2noc(CCCC(=O)Nc3ccccc3Cl)n2)c1 9196352 OBOLKFHJLNWADA-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2C)cc1 9204779 NRXBDEZFDRLENO-UHFFFAOYSA-N 363.457 4.758 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1C[C@@H]1c1ccccc1Cl 9221305 FVYWHNMZQUCIEI-KGLIPLIRSA-N 355.850 4.601 0 40 FJAB Cc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1F 10613019 SXYJXFNFWKFWPG-UHFFFAOYSA-N 372.827 4.692 0 40 FJAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)c1 14609624 JXCZZOJNNFCZSE-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(C)cc1C)=C2 15838669 MNGGMQGRCXPFJY-UHFFFAOYSA-N 355.821 4.894 0 40 FJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)cn1 19524919 WYWAADLCRUJQMY-FQEVSTJZSA-N 368.456 4.814 0 40 FJAB Cc1cc2cc(NC(=O)CC[C@@H]3C(=O)Nc4ccccc43)cc(Cl)c2o1 19714410 AFAZTKIEULRHRJ-HNNXBMFYSA-N 368.820 4.849 0 40 FJAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCc3ccccc3C2)s1 19819642 WMDKNUHWXNCMIQ-UHFFFAOYSA-N 368.527 4.698 0 40 FJAB O=C(c1ccoc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 21602010 JZNPCHGCFLODCM-UHFFFAOYSA-N 371.824 4.568 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)cc3)n2)cc1C 24050702 WVUSHIZYTVQBFC-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccncc1 25590122 YIQZBSRZZAXLHP-HSZRJFAPSA-N 356.469 4.967 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCc2ccccc2Cl)cc1OC 25878978 VRXDTOJLDMQYBJ-GOSISDBHSA-N 373.880 4.654 0 40 FJAB COc1ccccc1C(=O)CSc1nccn1-c1cccc(Cl)c1 26047743 WDGSIVPPTUAELL-UHFFFAOYSA-N 358.850 4.509 0 40 FJAB CSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 30938036 OJLFISNVSAMYFH-INIZCTEOSA-N 374.937 4.913 0 40 FJAB Cc1nc2cc(NC(=O)c3sc(Cc4ccccc4)nc3C)ccc2o1 32914380 RAWXJTFTDHCPOA-UHFFFAOYSA-N 363.442 4.744 0 40 FJAB COC(=O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 35402177 SMHHEOSHYIDWJX-QHCPKHFHSA-N 371.480 4.616 0 40 FJAB Cc1ccc(CN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)o1 36674684 ADELTCRAELMWET-UHFFFAOYSA-N 371.506 4.779 0 40 FJAB COc1ccc([C@@H](NC(=O)Nc2ccccc2N2CCCC2)C2CC2)cc1 40103754 XFFAQMCGZNBWHP-NRFANRHFSA-N 365.477 4.568 0 40 FJAB C(=C\c1ccccc1)\CN1CCN(c2nc(-c3ccccc3)cs2)CC1 54959681 DYCSXVJWWWGHHQ-YFHOEESVSA-N 361.514 4.646 0 40 FJAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2F)c1 58098274 MYKZFZONTKCKPM-UHFFFAOYSA-N 357.816 4.842 0 40 FJAB CCc1cccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 83825700 JZVCCBCXJOFARS-PGRDOPGGSA-N 365.521 4.623 0 40 FJAB Cc1nc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccncc3)cc2o1 84290340 XZQCYDMQPQDNKW-GOSISDBHSA-N 350.422 4.680 0 40 FJAB Clc1ccccc1-c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193788 UQVUWOXKSWPNIO-UHFFFAOYSA-N 352.806 4.919 0 40 FJAB C=Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210826 BIUYCSVWVVTTGW-SECBINFHSA-N 365.067 4.896 0 40 FJAB O=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423065 LYTJUAPBQQFQRY-QZTJIDSGSA-N 369.896 4.657 0 40 FJAB O=C(C[C@@H]1OCCc2ccccc21)Nc1cnccc1-c1cccc(F)c1 177545339 JRJMKZGZVRCTFA-NRFANRHFSA-N 362.404 4.530 0 40 FJAB O=C(CCc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 224514985 TYIVCIIHHAOMPW-UHFFFAOYSA-N 373.478 4.541 0 40 FJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2c(c1)oc1ccccc12 224944331 RIISLQHSFTWQIN-UHFFFAOYSA-N 359.381 4.886 0 40 FJAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224959927 DRVJTFSSTGQWHX-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB O=C(Cc1cccc(Br)c1)Nc1ccc(N2CCCCC2)cc1 224980799 UIYLHVPWNIZZPV-UHFFFAOYSA-N 373.294 4.621 0 40 FJAB Cc1cccc(CCCNC(=S)Nc2ccc(Br)cc2)c1 225391037 FGJDFZHWLNRYTQ-UHFFFAOYSA-N 363.324 4.677 0 40 FJAB COc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1OC 225806405 VDWVORGTWGMDHO-UHFFFAOYSA-N 372.534 4.746 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)cc1 226268012 MOOMQYVLHWOGRY-UHFFFAOYSA-N 355.482 4.546 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(O)c3ccccc23)O[C@@H]2C[C@H](C)CC[C@H]21 257228326 FTKPYVDIKBKXFI-JZNKXYSFSA-N 367.489 4.706 0 40 FJAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408576265 WSOUVYXGLVAPJN-ACCUITESSA-N 362.454 4.781 0 40 FJAB COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 408906841 IZSQINHLFBDLPR-DEDYPNTBSA-N 373.408 4.603 0 40 FJAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1scnc1C1CC1 585081116 YUXZNTMCQOMTTJ-UHFFFAOYSA-N 369.534 4.813 0 40 FJAB FC(F)(F)c1ccc(-c2nnc3sc(CCc4ccccc4)nn23)cc1 632791 NVIMGOCZLOQBMJ-UHFFFAOYSA-N 374.391 4.657 0 40 FJAB COc1ccc(/C=C/C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1 835921 CEBFWURDCICIOR-MDWZMJQESA-N 363.457 4.946 0 40 FJAB Cc1cc(C)cc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)c1 940015 QYXBKHSZCLMTAG-UHFFFAOYSA-N 352.386 4.764 0 40 FJAB CC[C@H]1CCCCN1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 953964 AZGGQLXWUBGZEH-HNNXBMFYSA-N 353.491 4.800 0 40 FJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(N(C)C)cc1 955152 WYKXUIJZEZDKKA-UHFFFAOYSA-N 363.461 4.784 0 40 FJAB COCC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1 1367587 YXLSOKZVDWNMQF-UHFFFAOYSA-N 360.885 4.504 0 40 FJAB Cc1ccc(C)c(CSc2ncnc3c2cnn3Cc2ccccc2)c1 2447402 CVESWFKAEWOCHU-UHFFFAOYSA-N 360.486 4.784 0 40 FJAB Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 3059146 SMRHPOWFVVQIKL-UHFFFAOYSA-N 368.483 4.700 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3447959 ZUBKQOVMISGDAX-CQSZACIVSA-N 351.475 4.874 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1 3958515 RZRPXDBEFFFEED-LBPRGKRZSA-N 371.234 4.595 0 40 FJAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 4033278 PVMKKYCBPGJGOP-SFHVURJKSA-N 361.489 4.775 0 40 FJAB Cc1nn(C)c(Cl)c1/C=C/c1nc(-c2ccc(C(C)(C)C)cc2)no1 4284832 MKMMTYGPWUNHDE-ZHACJKMWSA-N 356.857 4.900 0 40 FJAB CC(C)(C)c1ccc(-c2nnc3sc(CCc4ccccc4)nn23)cc1 4664898 OWOAMUDLZZUJHK-UHFFFAOYSA-N 362.502 4.936 0 40 FJAB COc1cc(/C=C/c2ccc3ccccc3n2)cc(Br)c1O 5127928 IIPZFABYDYKOGW-SOFGYWHQSA-N 356.219 4.882 0 40 FJAB CCCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O 6654732 DNJIHBFIPUMCNE-BOPFTXTBSA-N 363.479 4.566 0 40 FJAB CCOc1ccc(CNC(=S)Nc2ccc(CC)cc2)cc1OCC 6941323 QESZDPVGNRCPNY-UHFFFAOYSA-N 358.507 4.533 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1C 7781435 UFJJAHUJTCALNH-UHFFFAOYSA-N 359.476 4.580 0 40 FJAB COCc1ccc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1 7986161 AVKBHHDGAMWCNQ-UHFFFAOYSA-N 370.499 4.931 0 40 FJAB Cc1cc(C(=O)CCC(=O)N2CC=C(c3ccccc3)CC2)c(C)s1 7989070 JYHAJBPTNNYASS-UHFFFAOYSA-N 353.487 4.644 0 40 FJAB COc1ccc(F)cc1-c1csc(-c2cccc(NC(=O)C3CC3)c2)n1 8042085 UAHYWKULADMHHH-UHFFFAOYSA-N 368.433 4.973 0 40 FJAB O=S(=O)(Nc1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 8185136 ZNVHOBLUOOOPBA-UHFFFAOYSA-N 360.438 4.703 0 40 FJAB Cc1c(-c2ccccc2)sc2ncnc(Oc3ccc(C(N)=O)cc3)c12 8193229 LIDJECJSSZUYOC-UHFFFAOYSA-N 361.426 4.558 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 8320090 CEURVGHEEKZXOH-IUODEOHRSA-N 364.898 4.574 0 40 FJAB CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 8382823 VWIUFESILLRWFV-HNNXBMFYSA-N 360.885 4.901 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 8636113 REQSPCSALKVXQA-TZIWHRDSSA-N 361.464 4.830 0 40 FJAB biogenic,in-vitro COc1ccc([C@H]2CCCCCN2C(=O)CCC(=O)c2cccs2)cc1 8708009 VFWVDMNUMYNVQQ-GOSISDBHSA-N 371.502 4.864 0 40 FJAB O=C(NCCc1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 8985182 PREGMTGXPVTSDZ-UHFFFAOYSA-N 373.481 4.573 0 40 FJAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1ccco1 9578925 CHBLXHBECHVXRB-OAHLLOKOSA-N 374.893 4.694 0 40 FJAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 11767727 CUECSYMRXBGINZ-AREMUKBSSA-N 365.454 4.610 0 40 FJAB CCCCOc1ccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1 12112964 RTNJAAUMTSJXQQ-QGZVFWFLSA-N 374.437 4.643 0 40 FJAB Cc1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)on1 12119675 MEIXOALAKNQMRY-QGZVFWFLSA-N 369.396 4.535 0 40 FJAB Fc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccccn3)no2)cc1 12143944 PRIIDKFDYUIBCQ-FQEVSTJZSA-N 351.425 4.993 0 40 FJAB CCC(CC)C(=O)NCc1ccc(-c2nc(C)ncc2-c2ccccn2)cc1 12222088 KKQHRKHZGTTXAI-UHFFFAOYSA-N 374.488 4.566 0 40 FJAB CCCCOCCCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13942310 BOMHWGNPBABUBK-JOCHJYFZSA-N 362.473 4.920 0 40 FJAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1Cl 14063253 LMOONSYMMFQOCK-UHFFFAOYSA-N 374.799 4.714 0 40 FJAB COc1ccc(Nc2ccc(NC(=O)Cc3ccccc3F)cc2)cc1 17593255 RSCMILBVCULNFR-UHFFFAOYSA-N 350.393 4.759 0 40 FJAB O=C1[C@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12 18146033 FMPOWQSUNMGUMG-HLAWJBBLSA-N 355.437 4.913 0 40 FJAB O=C(CNc1ccccc1Sc1ccccc1)NCCc1cccs1 24224224 CPGAJXPMSUJVOW-UHFFFAOYSA-N 368.527 4.670 0 40 FJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)[C@@H](C)C(C)C)cc12 27182476 JYNAJQVCNLANPW-AWEZNQCLSA-N 373.497 4.710 0 40 FJAB Cc1nc2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 29283140 CNHLTVHOHWIQDQ-UHFFFAOYSA-N 368.849 4.934 0 40 FJAB C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cc2ccccc2o1 32740953 IZRPEEGVRNSJCT-OAHLLOKOSA-N 371.440 4.987 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc4c(c3)OC(F)(F)O4)o2)cc1 32759970 PKAFVTJVUDYRHQ-NSHDSACASA-N 359.332 4.540 0 40 FJAB Cc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1C 32924742 SMBNWLNXGMRDFF-UHFFFAOYSA-N 350.393 4.560 0 40 FJAB CSc1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1 36828178 DRSMKZRJRGEDJX-UHFFFAOYSA-N 355.510 4.815 0 40 FJAB N#C[C@@H]1c2ccccc2C=CN1C(=O)C(c1ccccc1)c1ccccc1 38337898 HAYFTCZYWCRTED-JOCHJYFZSA-N 350.421 4.896 0 40 FJAB Cc1cc(NC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)no1 48373908 UFMVJYUZPYEJGY-LJQANCHMSA-N 367.474 4.834 0 40 FJAB CCOc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1Cl 57486254 GBNCDOBITVYTJO-UHFFFAOYSA-N 372.877 4.899 0 40 FJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 58146946 HDUCCLMENIQQPZ-UHFFFAOYSA-N 372.428 4.928 0 40 FJAB CC(C)(C)n1nnnc1SC(c1ccc(F)cc1)c1ccc(F)cc1 58343680 OZOHQLVYPFEESH-UHFFFAOYSA-N 360.433 4.588 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(N(CC)CC)nc1 61473133 XYLACYIHURSKOL-MRXNPFEDSA-N 358.511 4.531 0 40 FJAB O=C(/C=C/c1cc2cc(Br)ccc2o1)NCCc1ccccc1 67339414 DLSNCAOLPFSVLR-VQHVLOKHSA-N 370.246 4.567 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1SCC(O)=Nc2ccsc21 71283451 VLGLUCYFGTUVEF-SFHVURJKSA-N 355.488 4.975 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 72193775 YYEYENRMLDKKBE-UHFFFAOYSA-N 372.896 4.902 0 40 FJAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 72329176 FBZDWWDVWMNEGY-UHFFFAOYSA-N 373.378 4.588 0 40 FJAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccccc1 101095272 VABZKFIFMAHYLR-UHFFFAOYSA-N 362.429 4.790 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 114899649 BPCHMRLHEQETMT-MRXNPFEDSA-N 362.433 4.614 0 40 FJAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1 225463289 MGMFLXJXFZVUIE-LLVKDONJSA-N 365.296 4.505 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(F)c(F)c1)CC(C)(C)O2 225674686 XGDNNKZBXMGCMO-INIZCTEOSA-N 362.445 4.862 0 40 FJAB C[C@@H]1C(=O)CC[C@@H]2[C@](C)(COc3ccc4ccc(=O)oc4c3)CCC[C@@]12C 254759104 MZSKOLFPMYKYCT-KWRCGRDRSA-N 368.473 4.984 0 40 FJAB Cc1ccc(CSCCNC(=O)COc2ccccc2C(C)(C)C)cc1 408681447 VUWDJKFQAJRZLV-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 409051282 KDCUBSSDBPIMHV-UHFFFAOYSA-N 370.861 4.823 0 40 FJAB O=C(CSCc1ccccc1)NC[C@H](c1ccsc1)c1ccco1 675007645 CPXCKXDLVYEQCS-QGZVFWFLSA-N 357.500 4.523 0 40 FJAB CC(C)c1ccc([C@H](NC(=O)c2ccc3c(c2)nc(O)n3C)C(C)C)cc1 1135978418 OOIZGYNSQBUIPL-HXUWFJFHSA-N 365.477 4.529 0 40 FJAB CN(C)c1cccc(CCC(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1292607995 LNLACHUXKYNCDR-ITTUMRLJSA-N 354.538 4.503 0 40 FJAB Fc1ccc([C@H]2CCCN(CCN3CCCC3)c3cc(F)ccc32)cc1 717558 NYKFEGWFBYXCJF-HXUWFJFHSA-N 356.460 4.793 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350173 BBWKDFXGWGRAOT-QGZVFWFLSA-N 362.477 4.900 0 40 FJAB COc1cccc2c1[C@@]1(O)[C@@H]2CCCCCCCCCC12OCCCO2 1634664 LDXHOTCDKPRQCD-GCJKJVERSA-N 360.494 4.638 0 40 FJAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c2ccccc12 1869737 BDYFITBGOMDBGE-UHFFFAOYSA-N 360.747 4.733 0 40 FJAB Cc1ccc(CSc2nnc3c(n2)OC(C)(C)Nc2ccccc2-3)cc1 2094899 NSZDJSXMNGWZQP-UHFFFAOYSA-N 364.474 4.680 0 40 FJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CNc1cccc(Cl)c1 3015104 KDLLWGUZHQUGHA-OVCLIPMQSA-N 362.813 4.585 0 40 FJAB COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2cccc3ccccc23)cc1OC 3366338 PVEJHPCERGMTFW-IBGZPJMESA-N 369.367 4.580 0 40 FJAB C[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc2ccccc2c1 3401591 ZJGZUCOCPYGPMF-HRAATJIYSA-N 369.892 4.722 0 40 FJAB CCc1cccc(CC)c1NC(=O)CN(C)Cc1c(F)cccc1Cl 3459739 ZPMRBFSCMREOLH-UHFFFAOYSA-N 362.876 4.674 0 40 FJAB CCCSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1 3486728 VJZYFGBHINUQBU-UHFFFAOYSA-N 369.515 4.811 0 40 FJAB aggregator C[C@@H]1Cc2ccc(/C=C/[C@@]34N=C(O)CCN3c3ccccc3C4(C)C)cc2O1 3999961 CGHSSTWUDYQZCM-JWTVRFEMSA-N 374.484 4.878 0 40 FJAB biogenic O=C(COc1cccc(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 4070880 GHCQMMCSXCOSLP-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB O=C(O)c1ccc(-n2nc3c(c2-c2cccc(C(F)(F)F)c2)CCC3)cc1 4489453 LLFDIVFLRQHZHY-UHFFFAOYSA-N 372.346 4.745 0 40 FJAB CO[C@@]1(c2ccccc2)CN(Cc2ccccc2)C[C@H](c2ccccc2)O1 4896289 IENZOKQPSSBWKD-RPWUZVMVSA-N 359.469 4.760 0 40 FJAB Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C)oc2ccc(Br)cc12 6201109 LIMLTVNIRUONRU-QMTHXVAHSA-N 350.256 4.812 0 40 FJAB O=C(OCc1nnc(-c2ccccc2)o1)C1(c2ccc(Cl)cc2)CCC1 6400143 LSUQQJWAWQUUPD-UHFFFAOYSA-N 368.820 4.555 0 40 FJAB CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 7545391 ULUURFJEVCCLSA-UHFFFAOYSA-N 363.505 4.523 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@@H]2CCCC[C@H]2C1 8134614 SEVZOONAAWEDOF-HKUYNNGSSA-N 359.473 4.678 0 40 FJAB CCn1/c(=N\C(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21 8654193 BQCRFJAPRPLSLJ-LSDHQDQOSA-N 350.418 4.756 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc1C 8917670 MZUPUFKDIWFOKB-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1C 9063190 IJPGPHBBPFOHAJ-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1C 9165760 QMPGNOMHDAFKER-UHFFFAOYSA-N 356.426 4.529 0 40 FJAB Cc1c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)oc2ccc(F)cc12 9988819 WFFBTFFGYPEUDQ-UHFFFAOYSA-N 365.404 4.615 0 40 FJAB Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 12530967 LGLRACBARNKYLL-SJORKVTESA-N 373.460 4.643 0 40 FJAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)c(F)c1 12818230 YVILNYBBPZNYPO-SECBINFHSA-N 350.415 4.641 0 40 FJAB O=C(Nc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12922893 JVBMQCROHCUTRF-UHFFFAOYSA-N 369.827 4.796 0 40 FJAB CC(C)C[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 12971755 RACBCXGKFLBCHZ-IBGZPJMESA-N 350.466 4.529 0 40 FJAB COc1ccc(NC(=O)CCCCc2nc3ccccc3s2)cc1OC 14233033 CCXUSYODEDIUEB-UHFFFAOYSA-N 370.474 4.665 0 40 FJAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccc(Br)cc1)CC3 15841925 GMWOQKOBFDQSOQ-UHFFFAOYSA-N 367.246 4.509 0 40 FJAB O=C(Cc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2)s1 18702442 DZXNWFVZFAPHNY-UHFFFAOYSA-N 364.257 4.693 0 40 FJAB CCN1CCN([C@@H](c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)CC1 19902627 MPSRXGBBGHMKMG-QFIPXVFZSA-N 367.924 4.857 0 40 FJAB O[C@](CNCc1cccc(Cl)c1)(c1ccccc1)c1ccc(F)cc1 20365954 UCHRBQPSBFRIHH-OAQYLSRUSA-N 355.840 4.505 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2nc3ccccc3o2)cc1 21531213 AYHUMCHOGWCWCG-UHFFFAOYSA-N 369.380 4.817 0 40 FJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Oc2cccc(Cl)c2Cl)cc1 23652427 JWUDGJGADZKYSI-NSHDSACASA-N 353.201 4.569 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 24456178 ABSUPWIYBWUQEJ-LLVKDONJSA-N 365.260 4.785 0 40 FJAB Cc1c(C(=O)Nc2nonc2-c2ccc(Cl)cc2)oc2ccc(F)cc12 27990800 HGIAIAZUVRCORO-UHFFFAOYSA-N 371.755 4.836 0 40 FJAB Cc1cccnc1Nc1ncc(C(=O)Nc2c(C)cccc2Cl)s1 28458594 UMDZRVPDFPBXGL-UHFFFAOYSA-N 358.854 4.804 0 40 FJAB Cc1cnc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)s1 29775647 LADLQJOIXFFREW-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1 30861259 IONWUFYPZNINJO-INIZCTEOSA-N 359.897 4.980 0 40 FJAB O=C(Nc1cccc2ccccc12)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 31662921 DSRAAJYUVQIRHV-GJZGRUSLSA-N 366.383 4.851 0 40 FJAB c1ccc(-c2nc3ccccn3c2CSc2nnc(-c3ccco3)o2)cc1 32671859 GPNHRFRCMLYKSD-UHFFFAOYSA-N 374.425 4.937 0 40 FJAB Cc1cc(NC(=O)c2sc3ncccc3c2-n2cccc2)ccc1F 33171368 UYUNENXDAQOSEV-UHFFFAOYSA-N 351.406 4.787 0 40 FJAB CCOC(=O)c1ccc(Nc2ccnc3ccc(Br)cc23)cc1 40175589 QYJWSWIFKMFTOI-UHFFFAOYSA-N 371.234 4.918 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccccc1Cl 40266669 NLTWPGFGTROQMV-CYBMUJFWSA-N 353.809 4.658 0 40 FJAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1 41076987 DNHMRZYHFFRAPY-UHFFFAOYSA-N 369.852 4.544 0 40 FJAB COc1ccc(OCCN(C)C(=O)Nc2c(C)cccc2C(C)C)cc1 43313454 IDGSFNTZPSXXFM-UHFFFAOYSA-N 356.466 4.670 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 48355260 ITOPNJBDDZGPTF-LBPRGKRZSA-N 373.403 4.504 0 40 FJAB NC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 51330105 DAPSBYMSZAOQGY-FFTGWUTASA-N 367.399 4.640 0 40 FJAB COc1ccc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1 60512565 DKUULAQRZYOQKR-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc4c(c3)CCCO4)C2=O)cc1 95471126 IBFFPODTXKBANC-XDHOZWIPSA-N 365.454 4.557 0 40 FJAB CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)C1 96122327 FSOPHDPQHDMDLX-FQEVSTJZSA-N 367.493 4.853 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219592498 JFTXAQKUXVELOW-RBUKOAKNSA-N 353.462 4.571 0 40 FJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1 224359701 IBDCQMMYRMNQRM-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 224442625 PVMJTASGBUZWNH-ZDUSSCGKSA-N 351.874 4.898 0 40 FJAB Cc1cc(C)cc(CSCC(=O)NCc2cccc(C(F)(F)F)c2)c1 225714986 HZCUNCNKISGODT-UHFFFAOYSA-N 367.436 4.872 0 40 FJAB Cc1ccc2nc(C)c(C(=O)Nc3c(C)cc(Br)cc3C)n2c1 226096255 ZLHFECNKESKYGS-UHFFFAOYSA-N 372.266 4.583 0 40 FJAB Cc1occc1C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 677061488 WTLRGVKCNYMRJN-MRXNPFEDSA-N 371.481 4.504 0 40 FJAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c2cc(F)ccc2n1 920335 ZUVXJBVPJAGJBS-UHFFFAOYSA-N 359.198 4.697 0 40 FJAB Cc1cc(C)c2cc3c(N)c(C(=O)N4CCC[C@@H](C)C4)sc3nc2c1 1342997 YATHSRPOFPRTKG-LLVKDONJSA-N 353.491 4.521 0 40 FJAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccs1 2403655 DHOJOMPTRDJCGN-UHFFFAOYSA-N 355.410 4.855 0 40 FJAB CCOCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 2407964 PPNNWZSNUAXWMF-UHFFFAOYSA-N 366.852 4.727 0 40 FJAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Oc2ccccc2)cc1 2641563 ISCCQUAXPWCTIU-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3nccs3)o2)c1 2761907 ZXDLSOWOHAVFGZ-UHFFFAOYSA-N 356.447 4.999 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@@H](CC)C2 2767430 QFIATSQOALLINZ-GFCCVEGCSA-N 361.463 4.593 0 40 FJAB COc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1 3346000 WTCHRBUBHDFCDR-UHFFFAOYSA-N 358.488 4.842 0 40 FJAB Cc1ccc(Sc2ccc(N[C@H](C)C(=O)N3CCCC3)cc2)cc1C 3352898 AOFAWDLEAYYZAL-QGZVFWFLSA-N 354.519 4.877 0 40 FJAB CC(=O)Nc1ccc(SCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 3410403 IUNTWYAEWATJHZ-UHFFFAOYSA-N 365.454 4.532 0 40 FJAB O=c1c2ccccc2nc(SC/C=C/c2ccccc2)n1Cc1ccco1 3449431 AEBPXXDPPMDURQ-JXMROGBWSA-N 374.465 4.843 0 40 FJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2)CSC3)c1 4077321 SVHHGAHDHRXQJP-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 4562326 CXVYBNYMEZXGNM-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB CSc1ccc2nc(NC(=O)c3nc4ccccc4s3)sc2c1 5299113 KCHGVRRYHVDUQR-UHFFFAOYSA-N 357.485 4.880 0 40 FJAB COc1ccc([C@H](CCNC(=O)C2CCCCC2)c2ccccc2)cc1 5302505 CKPAYTQKELBEOK-JOCHJYFZSA-N 351.490 4.914 0 40 FJAB O=C(O)c1ccc(-n2ncc3c2/C(=C/c2ccc(Cl)cc2)CC3)cc1 5559891 GJCFYXIRDRVRNB-RVDMUPIBSA-N 350.805 4.711 0 40 FJAB CC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 5882606 QFCVBBVIEYWCNL-RVFRGNJDSA-N 358.441 4.584 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O 6879204 JAZATVKYIHXVRB-LDADJPATSA-N 371.433 4.851 0 40 FJAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc3ccccc3n2C(C)C)cc1 7097508 VNGXGFVJBODTTK-MRXNPFEDSA-N 367.518 4.723 0 40 FJAB O=C(N[C@H]1CCCc2ccccc21)c1ncc(Cl)c(Cl)c1Cl 7264117 CCBHYRQFEOOISF-LBPRGKRZSA-N 355.652 4.849 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)o2)cc1 7596918 DJSUNHFUAOJKMZ-UGKGYDQZSA-N 360.413 4.839 0 40 FJAB CCOc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 8128446 CBMUXBXYNXVKRV-JTQLQIEISA-N 372.475 4.926 0 40 FJAB Clc1ccc(-n2ccnc2SCc2nc(-c3ccccc3)no2)cc1 10270733 NDAJFHPISFEIED-UHFFFAOYSA-N 368.849 4.868 0 40 FJAB CCOc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 10448446 YXEANEFUDRXUJV-UXBLZVDNSA-N 350.245 4.722 0 40 FJAB Cc1cc(COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)no1 10712334 RZLYUACGYXOIJT-UHFFFAOYSA-N 371.443 4.755 0 40 FJAB CC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1 11024327 VRQZTKNQJAXRIH-UHFFFAOYSA-N 367.470 4.679 0 40 FJAB S=c1sc(NCc2ccccc2)nn1CN1CCC[C@H]2CCCC[C@@H]21 12883740 AIBGTLFHWPJRNK-SJORKVTESA-N 374.579 4.898 0 40 FJAB O=C(COc1ccccc1)Nc1cc(Cl)ccc1N1CCCCCC1 13063309 QNWRKGADMNRLFS-UHFFFAOYSA-N 358.869 4.738 0 40 FJAB c1ccc(Cn2c(SCc3ccncc3)nnc2-c2cccs2)cc1 13983570 JVDKXLYIYKZCNJ-UHFFFAOYSA-N 364.499 4.742 0 40 FJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H](C)c3ccco3)cc2)o1 14142170 GYJBZYYFMMBCEI-HNNXBMFYSA-N 373.412 4.796 0 40 FJAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 14256401 UGZNLXBKXALJGD-UHFFFAOYSA-N 361.507 4.917 0 40 FJAB CC(=O)O[C@H]1Oc2ccc(Cl)cc2-c2oc(=O)c(-c3ccccc3)cc21 16321687 GIRXDELOOXMBQP-FQEVSTJZSA-N 368.772 4.581 0 40 FJAB CCCCCC[C@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 22902352 OARHZZYHMFAXQH-HNNXBMFYSA-N 358.482 4.959 0 40 FJAB COc1cc2c(cc1NS(=O)(=O)c1ccc(C)s1)oc1ccccc12 24070226 VHRLBORGKPMCQW-UHFFFAOYSA-N 373.455 4.765 0 40 FJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1C(F)(F)F 24990098 NYYVWAITVWETMY-GXFFZTMASA-N 354.199 4.773 0 40 FJAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(C2CC2)nc2ccccc12 25173808 KLSCYTMGEVCDDN-UHFFFAOYSA-N 368.440 4.609 0 40 FJAB CC(C)c1ccc(CC(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 28287235 NQHSZUNHGUJYEJ-UHFFFAOYSA-N 355.825 4.695 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N(C)C)cc1 28289709 VTJIJJXGEPKXQF-FQEVSTJZSA-N 364.489 4.699 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(Cl)cc2)cc1 36366184 UPIHEHLPKBPZMJ-INIZCTEOSA-N 353.809 4.658 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccccc2F)o1 40128024 JVECKVJZONPVPU-CQSZACIVSA-N 351.377 4.589 0 40 FJAB O=C(Nc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079051 HGNKVKACABEBPP-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(Br)s1 49548353 AFBPPZJMSZXNIH-MRVPVSSYSA-N 354.273 4.586 0 40 FJAB Fc1ccc(CN2C[C@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 57731823 SVFQQPZSZOXLGQ-STZQEDGTSA-N 370.899 4.891 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)N3CCC[C@@H]3c3ccsc3)c2)n1 58167347 JDXRVTHNPLOSEY-LJQANCHMSA-N 364.474 4.883 0 40 FJAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 71768132 DXHPACHLDPKWGB-UHFFFAOYSA-N 363.845 4.505 0 40 FJAB CN(Cc1ccccc1)CC1CCN(C(=O)c2cccc3ccccc23)CC1 89361403 FTXMRXHADKSCOT-UHFFFAOYSA-N 372.512 4.824 0 40 FJAB Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(Cl)c1 95950227 XVWFSHHUXKFHFM-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB CN(C)c1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCC2=O)s1 96346803 MTFSLDPDEVKZDS-IRXDYDNUSA-N 355.503 4.930 0 40 FJAB CC(C)c1ccc(Cn2c(=S)[nH]c3c(sc4ncccc43)c2=O)cc1 101968072 YRUIBCLPLXGHFU-UHFFFAOYSA-N 367.499 4.840 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(OC(C)C)c1 113955219 RATRYGYKNADOBS-IBGZPJMESA-N 361.869 4.601 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1cccc(OC(C)C)c1 219312586 KBQKEMCSZKOJBG-NRFANRHFSA-N 369.505 4.689 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)NCCOc1cccc2ccccc12 223509500 JGVFVSHCONFUFZ-KRWDZBQOSA-N 365.498 4.657 0 40 FJAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Cc1ccc(Cl)cc1 224340429 PPRKSHXZZMUERY-UHFFFAOYSA-N 367.836 4.720 0 40 FJAB CCNC(=O)c1ccc(OCC)c(COc2ccc(C(C)(C)C)cc2)c1 224517646 INVLTYATHFEPSV-UHFFFAOYSA-N 355.478 4.712 0 40 FJAB CCOc1ccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 225501035 YHEOTGYIWKSFBK-UHFFFAOYSA-N 369.505 4.645 0 40 FJAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c2cccnc12 225901168 ZWZRTVJVOXHFHQ-OPAMFIHVSA-N 370.493 4.948 0 40 FJAB 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O=c1c(Cl)c(Nc2cccc(F)c2)cnn1C12CC3CC(CC(C3)C1)C2 4924233 CBQMSHTXRHJNKU-UHFFFAOYSA-N 373.859 4.705 0 40 FJAB CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)nc2ccc(Cl)cc12 5007356 UHGJRRZKCKHRGQ-GFCCVEGCSA-N 372.877 4.994 0 40 FJAB COc1ccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)cc1 5083624 MUQYDJOXLUZFKR-UHFFFAOYSA-N 363.442 4.632 0 40 FJAB CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 5268992 HYVACMNSZNKGJN-QGZVFWFLSA-N 363.461 4.542 0 40 FJAB CCc1cccc2c(C(=O)CSc3nc4cc(Cl)cnc4[nH]3)c[nH]c12 5309888 OZJQOYRWBAESML-UHFFFAOYSA-N 370.865 4.630 0 40 FJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC)cc1 5852930 OZUINGRANFQDED-UHFFFAOYSA-N 359.882 4.919 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 5881708 QKYPKHVYPJOSKO-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6205774 UMFGGYSGDNQLGZ-UHFFFAOYSA-N 351.402 4.833 0 40 FJAB O=C1C[C@@H]2Sc3ccccc3N=C2N1Cc1ccc(Cl)cc1Cl 6243611 LIZMQTRAFGLLTN-HNNXBMFYSA-N 363.269 4.930 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 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0 40 FJAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 20029882 QZFKYFUTLVHYTJ-VIFPVBQESA-N 364.681 4.686 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 22514360 JLHDSXYAQJERPA-LJQANCHMSA-N 350.506 4.718 0 40 FJAB Cc1cnc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)s1 24750756 VTXCNXAPQCDMLX-UHFFFAOYSA-N 356.834 4.588 0 40 FJAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 25594479 MHHVBBQGLUEBLT-GXDHUFHOSA-N 367.489 4.673 0 40 FJAB Clc1ccc(-c2nc(CSc3nncc4ccccc34)no2)cc1 28192487 HZJLSVBIOXMXMZ-UHFFFAOYSA-N 354.822 4.626 0 40 FJAB CC(C)c1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 28218486 QVTDWWFHDCEDCM-UHFFFAOYSA-N 363.461 4.911 0 40 FJAB Cc1cccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 32127925 KLKRWDAFCOEJEV-UHFFFAOYSA-N 367.257 4.929 0 40 FJAB Cc1ccc(C)c(OCCn2c(CCC(=O)O)ccc2-c2cccs2)c1 33794448 QSIXTFMQRHAMJV-UHFFFAOYSA-N 369.486 4.930 0 40 FJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(OC(F)F)cc1 40103167 PBKGBXMXORYLMG-JTQLQIEISA-N 356.319 4.791 0 40 FJAB CCC(CC)[C@H](NC(=O)c1cnn(-c2ccccn2)c1C)c1cccs1 40157020 OTYHYRWSGJINFP-IBGZPJMESA-N 368.506 4.545 0 40 FJAB CCN(C(=O)c1cncc(Br)c1)c1ccc2ccccc2c1 50380759 AOZQDICFCBFYEO-UHFFFAOYSA-N 355.235 4.664 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(Oc2ncccn2)cc1 70655611 GHUWCXGPBWDEQN-UHFFFAOYSA-N 359.307 4.540 0 40 FJAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(OC)c1 80344856 WAYHWTVVAAKIRH-LSDHHAIUSA-N 366.244 4.753 0 40 FJAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 96103533 FUJNLXSHQOOBRG-DHZHZOJOSA-N 372.424 4.525 0 40 FJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1C[C@H]2C=C[C@H]1C2 102784085 TXDDEGRXUPBJIP-UCHMGKDFSA-N 355.481 4.612 0 40 FJAB CCOc1ccc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cn1 206880810 QYUWCIRGBPCRJL-KRWDZBQOSA-N 358.869 4.544 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)c2cncc(Br)c2)cs1 206895717 NDGUUFKTQONLNC-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CC(C)c1ccc(CCCNC(=O)CSCc2ccc(F)cc2)cc1 219264635 KDJSKRQALJZJQU-UHFFFAOYSA-N 359.510 4.931 0 40 FJAB CCCOCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OCC 224707811 GGRSRHVMVWCNPO-UHFFFAOYSA-N 359.491 4.986 0 40 FJAB CCOc1ccccc1NC(=S)NCCCc1cccc(OC(C)C)c1 225564438 GXQPWIVNIKITBY-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225840177 VDFPCLTWPFDJIR-QGZVFWFLSA-N 361.404 4.884 0 40 FJAB CCOc1cc(NC(=O)c2cccc3ccccc23)cc2sc(N)nc12 226311538 LBUWBBGKPCADFV-UHFFFAOYSA-N 363.442 4.683 0 40 FJAB COc1cc(NC(=S)Nc2cccc(Cl)c2)c(Cl)cc1C(=O)O 226345884 JNEKYBQKPWVKEK-UHFFFAOYSA-N 371.245 4.509 0 40 FJAB CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(F)cc1 408560764 FBEOFQFGZRHIBW-LNVKXUELSA-N 368.477 4.988 0 40 FJAB CCOc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1 408899859 RDJATTUDWZPVTP-UHFFFAOYSA-N 368.458 4.888 0 40 FJAB CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCCCC1 1615391665 VLBUTVDBHJMUFQ-UHFFFAOYSA-N 365.525 4.863 0 40 FJAB Cc1cccnc1CN1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037988646 BVAVHDQPNRRYBT-JOCHJYFZSA-N 353.485 4.553 0 40 FJAB COC(=O)c1c(NC(=O)Cc2ccccc2)sc(C)c1-c1ccccc1 681625 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COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2Cl)cc1OC 45382558 BRCMBVVAKSHOCD-JTQLQIEISA-N 354.233 4.502 0 40 FJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 59461553 VYZHZLOVSQHFTE-IYBDPMFKSA-N 367.518 4.899 0 40 FJAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@H]1CCCc2ccccc21 71942823 AAOMFICPNZABGF-IBGZPJMESA-N 371.431 4.764 0 40 FJAB FC(F)(F)c1cc(Oc2ccc(-c3ccccc3)cc2)n2ncnc2n1 71948023 PRWXMTHXANWFEF-UHFFFAOYSA-N 356.307 4.602 0 40 FJAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72213384 WYOYIVZDLPJNDS-LPHOPBHVSA-N 353.466 4.766 0 40 FJAB CC(C)[C@H]1[C@H]2CC[C@H]1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12 113680504 XTDZGXBTXBEZDN-ZENOOKHLSA-N 359.420 4.857 0 40 FJAB in-vitro CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222891496 JUMAMXLOLRIKAX-VQTJNVASSA-N 363.486 4.724 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccccc1Cl 222992951 ZALCALFYQPTVLD-FQEVSTJZSA-N 359.897 4.863 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 223789192 MWJZSVZLFLGLAQ-SFHVURJKSA-N 369.505 4.896 0 40 FJAB COc1ccc(C(=O)NC2CC2)cc1COc1ccc(-c2ccccc2)cc1 224213609 ROHXKKTXRKFGOK-UHFFFAOYSA-N 373.452 4.833 0 40 FJAB CCCc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 225763313 NKEVONKMIIRLDD-WTLMAMESSA-N 369.505 4.510 0 40 FJAB Cc1cccc(Nc2ccc([C@H]3CCCCN3Cc3ccncc3)cn2)n1 257239623 HQDNQVIWCHUUGO-HXUWFJFHSA-N 359.477 4.651 0 40 FJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3SC)nc1-2 409053638 NTRDSPXPFIOMNO-UHFFFAOYSA-N 368.483 4.697 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccsc1)c1ccco1 675007704 JNTDVEWUQRCZNX-AWEZNQCLSA-N 363.841 4.624 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccs2)N1c1cccc(F)c1 1615155040 HFWPVSDLGKHRKD-IRXDYDNUSA-N 358.482 4.549 0 40 FJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(O)cc1 936524 WPQTUNSZCJWODB-UHFFFAOYSA-N 367.426 4.550 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1CC)CO3 2112970 KFNXHSGLKHPZMB-UHFFFAOYSA-N 363.457 4.973 0 40 FJAB biogenic O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccccc2)cc1 2304845 VHQVKEMXHHQPCB-STZFKDTASA-N 373.383 4.749 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3c4ccccc4C[C@@H]3C)cc12 3212854 PMDFVQLGNRILJE-AWEZNQCLSA-N 373.481 4.987 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1ccc(Br)cc1 3233485 PWYLYKUYNOMIRR-NSHDSACASA-N 369.642 4.613 0 40 FJAB Cc1c(C(=O)O[C@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 4148895 NAYSKQRCCYBSED-FFSVYQOJSA-N 357.475 4.643 0 40 FJAB Cc1cc(OCC(=O)NCCSc2ccc(Cl)cc2)ccc1Cl 5281634 RIIHJLMZRGYDFT-UHFFFAOYSA-N 370.301 4.589 0 40 FJAB CC1(C)C[C@H]([C@@H](CCNC(=O)c2ccccc2)c2ccc(F)cc2)CCO1 5348769 BLNFIKNPESXSCN-CTNGQTDRSA-N 369.480 4.935 0 40 FJAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 5981301 WUPWXRHYZWFTGT-UHFFFAOYSA-N 373.330 4.654 0 40 FJAB CCCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1OCC 6323428 CJVGTFQCGARPOI-LGMDPLHJSA-N 363.479 4.711 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(N[C@@H]4CCOc5ccccc54)c23)C1 6557847 GFVAJIPLNFHGLL-SWLSCSKDSA-N 351.475 4.752 0 40 FJAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 6830943 RGVOWDIWLCSQID-UHFFFAOYSA-N 369.465 4.781 0 40 FJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Cl)nc2ccccc12 6881253 TUPKNPIHFXPWOX-SNVBAGLBSA-N 356.775 4.691 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)C(c1ccccc1)c1ccccc1 8157070 RCBHWARKSJNFKN-UHFFFAOYSA-N 354.453 4.659 0 40 FJAB CSc1ccc(C[C@@H]2SC(=O)N(CCCc3ccccc3)C2=O)cc1 8169621 DJHSBGRPQRJWMS-SFHVURJKSA-N 371.527 4.648 0 40 FJAB Cc1cc2nc(-c3cc(NC(=O)c4ccco4)cc(C)c3O)oc2cc1C 8990560 KGJYMMKYKQHWOP-UHFFFAOYSA-N 362.385 4.971 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)cc1C 9190759 RXSVIQVQKDMNOX-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB COc1cccc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 9377982 JNZSHKFSHSLDFR-GETOMWPZSA-N 352.459 4.538 0 40 FJAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 11246765 FGZTWFWDVQSYBK-UHFFFAOYSA-N 361.376 4.898 0 40 FJAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(C2CCCCC2)c1C 12372554 HKSAEWYLRXKLAW-UHFFFAOYSA-N 366.914 4.679 0 40 FJAB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1 12654030 RXZAQUKNTKZJJK-UHFFFAOYSA-N 350.422 4.569 0 40 FJAB Cc1cc2nc([C@@H]3CCCN(C(=S)NC4CCCCC4)C3)[nH]c2cc1C 12878982 FOCNJBOKFDEEEW-MRXNPFEDSA-N 370.566 4.566 0 40 FJAB C1=C(c2c[nH]c3ccccc23)CCN(Cc2nc(-c3ccccc3)no2)C1 13008124 QTAADCJIUUQCRV-UHFFFAOYSA-N 356.429 4.507 0 40 FJAB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3)C[C@@H]21 13036361 LAKAGOORFQLBCA-NZQKXSOJSA-N 371.440 4.723 0 40 FJAB CCOc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 14124100 CHCOUQYTGBQIAK-GFCCVEGCSA-N 353.340 4.510 0 40 FJAB CC(C)=CCC[C@@](C)(O)[C@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 14611869 GZLIPAFSJXROEC-DENIHFKCSA-N 358.478 4.694 0 40 FJAB biogenic,in-vitro CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 14796180 JVSPFDKSAQDJFQ-NSHDSACASA-N 365.260 4.774 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 15577366 UENXFUZIATXEBV-UHFFFAOYSA-N 369.852 4.887 0 40 FJAB C[C@@H](Sc1ccccc1Br)C(=O)Nc1cccc(F)c1 16549022 ZHNYISVMRUSMNS-SNVBAGLBSA-N 354.244 4.708 0 40 FJAB Cc1cc(=O)oc2cc(OCc3coc(-c4ccccc4)n3)c(Cl)cc12 21905210 OYKVGFWJLCSQRX-UHFFFAOYSA-N 367.788 4.989 0 40 FJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N[C@H]1CCOc2ccccc21 24865924 IUOVNNMGAZQFEC-BBVFFXRHSA-N 364.832 4.541 0 40 FJAB O=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2Cl)c1 28244985 UIJYNKNXUYTWKG-UHFFFAOYSA-N 374.271 4.810 0 40 FJAB O=C(Oc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 28290508 DTHOLRGGBJGRRJ-UHFFFAOYSA-N 374.824 4.781 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc4c(c3)OC(F)(F)O4)o2)cc1 32759967 PKAFVTJVUDYRHQ-LLVKDONJSA-N 359.332 4.540 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ncc2ccccn12 36666367 VBFGVRUOCFBNHL-OAHLLOKOSA-N 353.491 4.885 0 40 FJAB COc1ccc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)c(OC)c1 40286153 ILIQMCFURXZMPB-OAHLLOKOSA-N 366.442 4.951 0 40 FJAB CC(C)(c1ccccc1)c1ccc(OC2CCNCC2)c(Br)c1 42774867 ANOHXTSOOOPYCQ-UHFFFAOYSA-N 374.322 4.906 0 40 FJAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 48257149 ATSWIMWSISZUNY-LBPRGKRZSA-N 361.392 4.504 0 40 FJAB Cc1oc(-c2cccs2)nc1C(=O)N1CCCCC[C@@H]1c1ccncc1 49765864 LARFGRFODMQMCH-MRXNPFEDSA-N 367.474 4.864 0 40 FJAB CCc1ccc([C@H](NCC(=O)Nc2cccc(C)c2)c2cccs2)cc1 57455907 TVCUPYXKZAQBHA-QFIPXVFZSA-N 364.514 4.937 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)c1cccs1 57508798 HJXQGDGZILXMRK-YWZLYKJASA-N 368.477 4.902 0 40 FJAB O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)C1CCC1 71853734 CMBZCPICZJORTH-UHFFFAOYSA-N 350.300 4.611 0 40 FJAB C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C1 72280561 KUPPQNOCUNXXEO-INIZCTEOSA-N 371.912 4.894 0 40 FJAB O=C(c1cccnc1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 72338402 KQCSGTGSLPHEOB-MRXNPFEDSA-N 353.447 4.556 0 40 FJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1cccnc1 72404237 IRDGJWQIGMQREV-HNNXBMFYSA-N 365.260 4.539 0 40 FJAB C[C@@H]1Sc2ccccc2N(C(=O)c2cnc(-c3ccco3)s2)[C@@H]1C 75106183 KVROZQHNZUXEKZ-NEPJUHHUSA-N 356.472 4.933 0 40 FJAB Cc1ccc2cc(C(=O)Nc3c(C)cnn3-c3ccccc3)c(C)nc2c1 97227473 CMCMQMAEMLGOFJ-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1NC(=O)C1[C@@H]2CCCC[C@@H]12 100300127 NWCBYUQVZYGLIH-WNRNVDISSA-N 366.505 4.744 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OC(C)C)cc1 218985258 WNBWLUIEMRIBMB-LJQANCHMSA-N 369.461 4.515 0 40 FJAB CSc1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222608104 WTKHIKWIIWTNLB-UHFFFAOYSA-N 355.850 4.771 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223131966 OVVQLAJZSFAFAN-UHFFFAOYSA-N 361.426 4.660 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2 224289162 LFQQRXNJKPRFEX-INIZCTEOSA-N 363.816 4.520 0 40 FJAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225194231 IPYXZZLWCNPSKU-IBGZPJMESA-N 353.506 4.943 0 40 FJAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1 225884976 ONZFJIFGNCMZII-UHFFFAOYSA-N 350.503 4.595 0 40 FJAB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1cccc2ccccc12 226337921 WESQJFWYSGVDEW-ZRDIBKRKSA-N 373.412 4.563 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1Cl 408586352 NUEMGYZJLOWCFV-UHFFFAOYSA-N 360.262 4.501 0 40 FJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(F)cc2)cc1 408697824 JXWJDRLKJGTJEP-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CC(C)=CC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1154171108 JKIJNIVDBSEICY-IBGZPJMESA-N 358.279 4.963 0 40 FJAB CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2cc(C)c(C(C)=O)c(C)c2)c1 1311166999 KMJIUMWVGLDRGJ-VQTJNVASSA-N 366.461 4.582 0 40 FJAB CSCC[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)n1cccc1 1565534646 SDGDMOYLGZEYEV-CYSNLQCGSA-N 360.567 4.503 0 40 FJAB Cc1c(Cl)cccc1Nc1ncccc1C(=O)NCc1ccccc1 1340582 JWIDSINDUNMUFI-UHFFFAOYSA-N 351.837 4.717 0 40 FJAB O=C(c1cccc(C(F)(F)F)c1)N1CCn2cccc2[C@@H]1c1ccccc1 1429912 MBHGRNRSQBZXHX-IBGZPJMESA-N 370.374 4.752 0 40 FJAB CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccc(Cl)cc21 1636919 PWMWPLDVVMXUSM-UHFFFAOYSA-N 371.912 4.631 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1 3351400 BPDBOIFWNXWXFT-QGZVFWFLSA-N 358.441 4.869 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 4033392 JKGUCVCYWFJUQT-SFHVURJKSA-N 361.489 4.974 0 40 FJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cc2ccccc2)cc1 4725090 ZSCLVJCWMRJUIR-HSZRJFAPSA-N 370.452 4.616 0 40 FJAB c1ccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 5399988 QZQYVANPQUUVPL-UHFFFAOYSA-N 354.504 4.906 0 40 FJAB O=C(CCCSc1nc2ccccc2[nH]1)N[C@@H]1CCCc2ccccc21 5696276 JLHLRTJTDMOSRD-QGZVFWFLSA-N 365.502 4.629 0 40 FJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1c(F)cccc1Cl 6342069 ANLRZUJMHLGBOQ-UHFFFAOYSA-N 350.777 4.994 0 40 FJAB Cc1cc(SCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc12 6390246 CGZOGCADLRQLOI-UHFFFAOYSA-N 362.376 4.691 0 40 FJAB CCOc1ccc(NCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1 6590259 PRNROTQWCZFLLS-UHFFFAOYSA-N 355.463 4.688 0 40 FJAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)C(C)(C)C)o3)cc2C1 7131065 YCEYILSEHXERDK-SNVBAGLBSA-N 350.509 4.630 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)C2CC2)cc1 7242623 CEUUAJXJDZCODA-OAHLLOKOSA-N 362.473 4.691 0 40 FJAB Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1 7777595 FASBRKPDGSXPQJ-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB CSc1ccc(C(=O)CCC(=O)N[C@H]2CCCc3ccccc32)cc1 7988563 UBLDTHOURBOYCP-IBGZPJMESA-N 353.487 4.565 0 40 FJAB c1ccc2c(c1)oc1c(SCc3nc(-c4ccsc4)no3)ncnc12 8258056 HZDDRZGFUHKLAS-UHFFFAOYSA-N 366.427 4.780 0 40 FJAB Cc1nc2cc(NC(=O)COc3ccccc3Cc3ccccc3)ccc2o1 8269293 XFTUDQWQXSNKNA-UHFFFAOYSA-N 372.424 4.745 0 40 FJAB Cc1ccc2nc(-c3ccccc3)c(CSc3nnc(C)s3)n2c1 8709190 UUDFIGAQVPFGIE-UHFFFAOYSA-N 352.488 4.762 0 40 FJAB O=C(Nc1nnc(Cc2ccccc2)o1)c1sc2ccccc2c1Cl 8919973 LVNNIHQYQQITIA-UHFFFAOYSA-N 369.833 4.781 0 40 FJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)c1 9205058 OZVKZNMUDMUCFL-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB C[C@@H](c1ccccc1)N(C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 10101802 PSUABXQAZILARQ-ZDUSSCGKSA-N 361.367 4.948 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(Cl)cc1 11326545 RADUBXRXLSJNFX-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB CCCOc1ccccc1OCC(=O)Nc1nc(-c2cccs2)cs1 12817909 WFNSOWYMWBADRA-UHFFFAOYSA-N 374.487 4.678 0 40 FJAB CC[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(C)cc1 12852188 MIEMEGHHUTVGOI-MRXNPFEDSA-N 351.475 4.703 0 40 FJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSc1ccccc1 13708998 UTWWHEHDIUYHIW-INIZCTEOSA-N 351.471 4.516 0 40 FJAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1cccc(Br)c1 15019139 OJFNKAKNKMYNRX-XNTDXEJSSA-N 374.259 4.686 0 40 FJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 18255285 CLZRVDOWXIWPMM-MRXNPFEDSA-N 359.351 4.559 0 40 FJAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccco1 25056948 WVCGKGMNMOQOLF-UHFFFAOYSA-N 352.337 4.598 0 40 FJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1 27582720 QOUMJVCAQYQYOW-FQEVSTJZSA-N 356.897 4.687 0 40 FJAB Cc1ccc(/C=C/c2nc(SCC(=O)c3cc(C)c(C)cc3C)n[nH]2)o1 31802078 CQPRWBRLWSRQOR-BQYQJAHWSA-N 367.474 4.777 0 40 FJAB Cc1cccc(C)c1NC(=O)c1ccc(CSC2=NCCS2)cc1 32117652 HULKCENFOZUJQP-UHFFFAOYSA-N 356.516 4.892 0 40 FJAB Cc1ccc(-c2noc(CSc3nccn3-c3ccc(C)cc3)n2)cc1 33278089 GMAFPCQBXTYKET-UHFFFAOYSA-N 362.458 4.831 0 40 FJAB CC(C)(C)c1ccc(C(=O)c2ccc(I)cc2)cc1 36940725 RFNSQHONWYPAQA-UHFFFAOYSA-N 364.226 4.820 0 40 FJAB Cc1nc2cc(NC(=O)c3csc(-c4ccccc4)n3)ccc2s1 38488810 FQTPHVLEDNMAHI-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB Cc1ccc(CN(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)o1 44774734 PYVPKUXUTOJNAX-IAGOWNOFSA-N 366.486 4.906 0 40 FJAB Cc1cccc(C)c1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1 57350861 YKNJNDWIPXGCRM-OAQYLSRUSA-N 368.477 4.822 0 40 FJAB Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2)n(Cc2ccccc2)n1 58061009 XNIJMQNRLXXFBZ-QGZVFWFLSA-N 365.502 4.500 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213833 KHADHUDVHSNMRR-LJQANCHMSA-N 351.450 4.520 0 40 FJAB COc1ccc(-c2csc(CNC(=O)Nc3ccccc3Cl)n2)cc1 72264912 LJMBKBVTJBMIFR-UHFFFAOYSA-N 373.865 4.794 0 40 FJAB Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@H](C)C[C@H]3c3ccco3)c12 72304650 YYUXANNKVLKDDP-GUYCJALGSA-N 367.449 4.861 0 40 FJAB CCC(=O)Cn1c(SCCOc2ccc(CC)cc2)nc2ccccc21 76555384 CEMXTGABRMBTLJ-UHFFFAOYSA-N 368.502 4.749 0 40 FJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccn1Cc1ccccc1 84544787 PXBYYIACXFVWNW-SFHVURJKSA-N 366.461 4.642 0 40 FJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 85411899 ALFMRLBYCZKFOT-KRWDZBQOSA-N 357.479 4.576 0 40 FJAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1nc(Cl)ccc1Cl 95946856 GQLJGDNHWYJMOE-UHFFFAOYSA-N 373.243 4.704 0 40 FJAB Cc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4)cc23)cs1 96037850 GNEOMNFAQNSIJB-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(C)c1C 219310349 RGXXSXJJBZRRJR-PKOBYXMFSA-N 367.489 4.798 0 40 FJAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2O1 223574332 YTTJJUGOWZCDLD-IBGZPJMESA-N 355.453 4.957 0 40 FJAB Cc1cccc(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225329794 SWYPUEZRXLVQDJ-UHFFFAOYSA-N 350.289 4.983 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCC1(CC1)CO2 225365450 DGKZIPUYYGOTSM-UHFFFAOYSA-N 364.228 4.797 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 225518369 KKEOPMKOVGLXRD-UHFFFAOYSA-N 363.816 4.617 0 40 FJAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C)cc1C 225622170 GSKOJLPSZMTRMU-GOSISDBHSA-N 360.295 4.876 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1-c1cccs1 225788723 FPECLRDMDMLWGV-UHFFFAOYSA-N 355.366 4.538 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225849531 KBOPPVZDMMLTQU-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB c1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3ccccc23)cc1 227116932 KVPOGINOLSTRIL-UHFFFAOYSA-N 370.412 4.714 0 40 FJAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3F)cc2)c1 408602595 ACQVUPDIXFCFDJ-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB CC(C)(C)OC(=O)NC[C@H]1Cc2cc(F)ccc2N(Cc2ccccc2)C1 642883053 VNUQBSDUIJFGNE-QGZVFWFLSA-N 370.468 4.529 0 40 FJAB C=CC(=O)OCCCCCCOc1ccc(OC(=O)OC(C)(C)C)cc1 725326535 SVPNBXRLQKMHKV-UHFFFAOYSA-N 364.438 4.669 0 40 FJAB Cc1ccc(C)c(SCCc2nn3c(-c4ccccc4)nnc3s2)c1 632564 QBSYRFCSJWGCCY-UHFFFAOYSA-N 366.515 4.804 0 40 FJAB CCc1noc(C)c1C(=O)Nc1nc(-c2cc(C)ccc2C)c(C)s1 1009202 QEODNWRYWOSUMK-UHFFFAOYSA-N 355.463 4.846 0 40 FJAB COc1ccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)cc1 2622933 SXHUPZKRQQZQPC-UHFFFAOYSA-N 372.421 4.640 0 40 FJAB Fc1ccccc1CSc1nc(NC[C@H]2CCCO2)c2ccccc2n1 2948685 YKXMUTREICSZMY-OAHLLOKOSA-N 369.465 4.652 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 3472477 HUZYBJDWBMCJEP-UHFFFAOYSA-N 366.417 4.521 0 40 FJAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1nccs1 4454361 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Cc1ccccc1-n1c(C)nn(CN(Cc2ccccc2)C(C)C)c1=S 12516808 XWYCJLFVBPXHQQ-UHFFFAOYSA-N 366.534 4.888 0 40 FJAB COc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl 12748371 NJBMZOTXBUMZAA-UHFFFAOYSA-N 364.879 4.715 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 13649136 DRCJLBRJSNUNHE-OAHLLOKOSA-N 369.461 4.567 0 40 FJAB CCc1ccc(CN(C)Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 14197733 NOKBNLLYVXXPOI-VAWYXSNFSA-N 368.506 4.664 0 40 FJAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(Cl)c(Cl)c1 15517281 CUUHQCJIMMGGQK-AWEZNQCLSA-N 374.314 4.509 0 40 FJAB C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1cccc2ccccc12 15814814 YNGQESZCQCTTLQ-XCLFUZPHSA-N 351.833 4.674 0 40 FJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CC=C[C@@H](C)[C@@H]3C2=O)cc1 17988373 BQPYTAHDNRGLSY-UAOJZALGSA-N 361.441 4.797 0 40 FJAB Cc1ccc(-n2nc(C)cc2NC(=O)C2(c3ccccc3)CCCC2)cc1 18195631 HGCDPTZXFLVBFS-UHFFFAOYSA-N 359.473 4.940 0 40 FJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccs1 18201805 ZINIYVSYHYEQBN-GFCCVEGCSA-N 371.980 4.932 0 40 FJAB CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccc(Cl)s1 18939139 PEVYNKMOUPUPHD-UHFFFAOYSA-N 350.915 4.597 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1Cl 20450721 APIYSLHHEJSSBF-IBGZPJMESA-N 353.849 4.967 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)OCc1cc2ccccc2nc1Cl 21165155 WTKLWFRIOIKLCE-UHFFFAOYSA-N 350.805 4.655 0 40 FJAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCCC2)cc1 27581665 PBBNFLVHTQHIIW-NRFANRHFSA-N 370.924 4.534 0 40 FJAB Cc1c(C(=O)NC(C2CC2)C2CC2)sc2nc(C(F)(F)F)ccc12 29788248 AIWXQTASXQYODC-UHFFFAOYSA-N 354.397 4.542 0 40 FJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OCC 31183186 HFUSKCBOMRZWNM-UHFFFAOYSA-N 358.825 4.871 0 40 FJAB C[C@H]1CCCC[C@@H]1NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 35075097 ZHNJYJRWQXTHLL-FTRWYGJKSA-N 374.956 4.703 0 40 FJAB Cc1ccccc1NC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 35622084 JZQSJGGVLVKSEI-UHFFFAOYSA-N 367.884 4.896 0 40 FJAB Cc1nc2ccc(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)cc2nc1C 40009610 JARTZHMQXIXYFK-UHFFFAOYSA-N 363.505 4.535 0 40 FJAB CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)n1cncn1 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4.665 0 40 FJAB Cc1cccc([C@@H](NS(=O)(=O)c2ccc(F)c(C)c2)c2ccccc2)c1 225608781 VTXAIYKLPYVWCM-NRFANRHFSA-N 369.461 4.510 0 40 FJAB COc1cc(C)c(C(=O)NCCOc2ccccc2Cl)cc1C(C)C 225669303 SEKQZGVQHLWHET-UHFFFAOYSA-N 361.869 4.589 0 40 FJAB CCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C 225896061 QQIMJZPKIUQZNV-UHFFFAOYSA-N 350.503 4.595 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC)cc1 408558915 UNKNTGWPMWLPRF-UHFFFAOYSA-N 367.898 4.882 0 40 FJAB CCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(C)c(C)c1 408559620 AEKIMXBHYSDLAE-MRCUWXFGSA-N 354.475 4.750 0 40 FJAB COc1ccc(/C=C/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409128724 KSXNMELSRYFZTB-HYZSBJHASA-N 357.475 4.868 0 40 FJAB COc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2ccsc2)o1 575610858 QQSCSNAZGIAFNE-UHFFFAOYSA-N 362.838 4.992 0 40 FJAB Cc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501040425 QHLUTJMBEPTIRW-UHFFFAOYSA-N 352.488 4.595 0 40 FJAB Cc1csc(CN2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 2037989098 VOYYFZPKASMPND-FQEVSTJZSA-N 359.514 4.614 0 40 FJAB Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)o1 2055806663 PJPBMTGUNOVWLA-UHFFFAOYSA-N 372.468 4.914 0 40 FJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SC(C)C)cc1 2461063 AYFWFAZRDBTCPM-UHFFFAOYSA-N 363.460 4.576 0 40 FJAB O=C1COc2ccc(-n3cccc3)cc2N1Cc1ccc(Cl)cc1Cl 4054156 HXLYXEYJZZJDHP-UHFFFAOYSA-N 373.239 4.710 0 40 FJAB COc1cccc(-n2c(/C=C/c3cccc(C)c3)nc3ccccc3c2=O)c1 4122422 ZWYMSHDXJAUGFG-BUHFOSPRSA-N 368.436 4.873 0 40 FJAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C[C@H](C)CC2 4734416 NCEYEBIXPMXSQN-GFCCVEGCSA-N 374.531 4.859 0 40 FJAB Cc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2)cc1 5260116 JVQZHQFCPZDZQU-UHFFFAOYSA-N 362.458 4.831 0 40 FJAB CC(C)Oc1ccc([C@H](CC(=O)N2CCCC2)c2ccc(F)cc2)cc1 5500062 BLQRKHZZMUSGRD-OAQYLSRUSA-N 355.453 4.757 0 40 FJAB O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1ccc(F)cc1 6809641 ZAIWZNMLVSIHLX-UHFFFAOYSA-N 366.369 4.880 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc(F)cc2s1 6926756 DDUQGOJXEIMSIU-UHFFFAOYSA-N 371.220 4.760 0 40 FJAB O=C1Cc2cc(-c3csc(Cc4nc5ccccc5s4)n3)ccc2N1 7275197 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COc1cc(-c2nc3ncccn3c2Nc2cccc(Cl)c2)ccc1O 35616152 BQUOKGCCEKAJFV-UHFFFAOYSA-N 366.808 4.508 0 40 FJAB CN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1 35616180 OAZJYPPZWDCWIM-UHFFFAOYSA-N 363.852 4.859 0 40 FJAB CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2Cl)S1 35647354 ZITNAAPPJVTAPD-LFIBNONCSA-N 358.850 4.821 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(CNCc2ccc(F)c(C)c2)cs1 40024441 YHXCWEJSDOTMTR-UHFFFAOYSA-N 369.465 4.565 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 44842760 LOOQTIRZKKLNNE-BJMVGYQFSA-N 364.228 4.822 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351970 LLJSXXDFDXBUDN-OPAMFIHVSA-N 363.457 4.883 0 40 FJAB COc1cc(Cl)c(C)cc1NCc1nnc(-c2ccccc2Cl)o1 62649670 VVWSWTIQYIWSHG-UHFFFAOYSA-N 364.232 4.973 0 40 FJAB O=C(NCc1ccccc1F)Nc1ccc2c(c1)OC1(CCCCC1)O2 71850091 ZFXDHUATDAAGPT-UHFFFAOYSA-N 356.397 4.579 0 40 FJAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(F)cc2[nH]cnc12 95365175 GFUVJICEYRNVBH-UHFFFAOYSA-N 359.404 4.641 0 40 FJAB CCCn1c(N2CCCCC2)nc2c(-c3ccccc3)csc2c1=O 96511570 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Cc1ccccc1NC(=O)NC[C@H](c1csc2ccccc12)N(C)C 575619381 DKQCEUMVKLADEX-GOSISDBHSA-N 353.491 4.634 0 40 FJAB O=C(NCCCc1cc2ccccc2o1)c1cc(Br)cs1 667413316 CBLDWWCXLUOSDK-UHFFFAOYSA-N 364.264 4.619 0 40 FJAB O=C(CCSc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 645138 PLKPCCQTKWIRIM-UHFFFAOYSA-N 359.838 4.511 0 40 FJAB Cc1sc2nc(C(C)C)nc(SCC(=O)NC3CCCC3)c2c1C 1340380 IUFSDGWLLCZBBL-UHFFFAOYSA-N 363.552 4.582 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c1 2723091 DWNXDZXNKQMXBL-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1ccn(-c2ccccc2)n1 3179286 FUSHFDQOMRFAFH-DHZHZOJOSA-N 371.412 4.839 0 40 FJAB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 3347607 PHSZKTGMABHLLE-IBGZPJMESA-N 374.484 4.725 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)on2)cc1 4060157 WSNQEQBPNPPQLR-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2cccs2)CCOCC1 4478970 CCVVIFYKVCISDQ-UHFFFAOYSA-N 356.274 4.742 0 40 FJAB Cc1ccc(-c2nc(CCNC(=O)Cc3ccc(Cl)cc3)cs2)cc1 4570770 MTPZPFZPOXPUPF-UHFFFAOYSA-N 370.905 4.673 0 40 FJAB COc1cc2nc(/C=C/c3ccc4c(c3)OCO4)sc2cc1SC 4930840 PIJWRABKWANCPA-GQCTYLIASA-N 357.456 4.926 0 40 FJAB Cc1cccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c1 5047278 ZNWYUDSSVSLXNB-UHFFFAOYSA-N 356.454 4.765 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 6377538 PIZMCKWGXRMSHN-UHFFFAOYSA-N 355.478 4.508 0 40 FJAB O=C(CNC1CCCCCCC1)N(Cc1ccccc1)Cc1ccccc1 6594318 KYOMWUKMLPNGJV-UHFFFAOYSA-N 364.533 4.918 0 40 FJAB Cc1cccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2cccs2)c1 6679137 DQWUERNETXNJQS-CXAGYDPISA-N 369.515 4.714 0 40 FJAB Cc1cccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1C 6755872 XYCQTTAUDVMBMA-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB COc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1Cl 7094197 KUTYYWHPOKQBBE-UHFFFAOYSA-N 356.274 4.874 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4ccco4)o3)o2)cc1 7112520 ATBDCLYPSGUDMT-LLVKDONJSA-N 354.391 4.541 0 40 FJAB COc1ccc2cc(CN(C)CC(=O)Nc3cccc(C)c3C)ccc2c1 7926553 MKHJRRXXMSYREM-UHFFFAOYSA-N 362.473 4.536 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2cn3ccsc3n2)cc1 8280171 IOXCQGJQPJUMRM-UHFFFAOYSA-N 372.453 4.725 0 40 FJAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccc(Br)cc21 9434643 NZGUDNRDXBPQLJ-KZULUSFZSA-N 359.267 4.747 0 40 FJAB Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1-n1cccc1 11811584 OHRGOJVORWQRNJ-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB COc1cccc(/C=C/C(=O)O)c1OCc1ccc(Cl)cc1Cl 11894268 XYICNHISPOCNGM-SOFGYWHQSA-N 353.201 4.679 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)cc1 11915065 XAPGJNASSQWKGV-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(Cl)c(OC)c(OC)c1 16778734 AICMPGKQGQGSCX-CQSZACIVSA-N 365.882 4.568 0 40 FJAB Cc1nc2c(C)cccc2cc1C(=O)Nc1[nH]nc(-c2cccs2)c1C 19236701 RBCKVHWFUFMFBJ-UHFFFAOYSA-N 362.458 4.864 0 40 FJAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 20106346 XFIYAWSMLLMAJK-CYBMUJFWSA-N 372.317 4.791 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)cc1Cl 20140321 YCXQCXIJWMCOIR-UHFFFAOYSA-N 371.776 4.565 0 40 FJAB Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 20293646 VLLRJAZJVLGMSC-UHFFFAOYSA-N 374.469 4.811 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1Cl 20395436 QZBSWMKHLHQLLA-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CCCCC[C@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 25346364 CNWKPCOYWGOPMQ-LBPRGKRZSA-N 351.853 4.672 0 40 FJAB COC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 29622518 RKOODANMSMPLEU-UHFFFAOYSA-N 369.804 4.568 0 40 FJAB Cc1ccc2nc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)[nH]c2c1 31848423 QGEVJSPQSSWENU-UHFFFAOYSA-N 366.424 4.604 0 40 FJAB CCc1ccccc1NCc1cc(Br)c(OC)c(OC)c1 36815612 FGYBLLXKSBDBKL-UHFFFAOYSA-N 350.256 4.641 0 40 FJAB COc1ccccc1C(=O)Nc1ccccc1NC(=O)Nc1cccs1 38671557 LJXJIZPMDBWGQL-UHFFFAOYSA-N 367.430 4.653 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1)c1ccc(C)cc1 44840840 LOBRZRAPVBMOCD-QAPCUYQASA-N 373.518 4.760 0 40 FJAB CCCCSc1nnc(NC(=O)c2cc(-c3ccccc3C)on2)s1 61997083 BJCIJOXZACQCIF-UHFFFAOYSA-N 374.491 4.646 0 40 FJAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1ccccc1F 67260742 PTKVSYVREQIQER-UHFFFAOYSA-N 369.399 4.504 0 40 FJAB O=C(NC[C@@H](O)c1cccc2ccccc12)C1(c2cccs2)CCCC1 70636040 SJEQODKOJDIGSS-LJQANCHMSA-N 365.498 4.563 0 40 FJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccc(Cl)nc1 72401854 BHFULJWPVCWLMR-UHFFFAOYSA-N 364.792 4.656 0 40 FJAB Cc1occc1-c1nnc(SC2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 89544276 ILCOYLYICBDPKA-ZIAGYGMSSA-N 369.490 4.884 0 40 FJAB Cc1ccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3cccc(F)c3)C2)cc1 95115991 CXENBEIPBULNOF-OAQYLSRUSA-N 359.404 4.521 0 40 FJAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc4ccccc4c23)cc1 101353060 OPCPNMJRNLNPGU-PGRDOPGGSA-N 360.413 4.618 0 40 FJAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)OC(C)=O 104393124 IVVBEYNQFBGHBA-PFDCGNQRSA-N 370.489 4.790 0 40 FJAB O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccccc1Cl 211082792 QEACDGCQBPMSPK-UHFFFAOYSA-N 360.822 4.547 0 40 FJAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224480685 WRVUZZUMTNYWEH-QGZVFWFLSA-N 361.507 4.974 0 40 FJAB CC[C@H](NC(=O)c1ccccc1Br)c1ccc(OC)c(C)c1 225103749 QYOVWFCCGYLJKE-INIZCTEOSA-N 362.267 4.647 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225255505 OLCKKSNWUVOWOA-SJORKVTESA-N 351.490 4.773 0 40 FJAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1F 408563681 WORIXCKEGGMIFL-QOCHGBHMSA-N 358.413 4.564 0 40 FJAB CC(=O)c1cc(C(=O)N2CCCCc3c(Cl)cccc32)c(C)nc1C 548273950 KUYCLZWJGRJRSC-UHFFFAOYSA-N 356.853 4.538 0 40 FJAB FC(F)c1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cn1 631095135 TYXDROODLIOWJQ-UHFFFAOYSA-N 354.404 4.831 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(F)cc2)cc1 993171 IUSVXDMKTLXCLM-UHFFFAOYSA-N 363.388 4.648 0 40 FJAB O=C(c1cn(CCOc2ccccc2F)c2ccccc12)C(F)(F)F 2488074 AGGSRXHWEODWHO-UHFFFAOYSA-N 351.299 4.604 0 40 FJAB O=C(N1CCN(c2cccc(Cl)c2)CC1)C1(c2ccccc2)CCCC1 2512748 UJSPOPAOMWKLQW-UHFFFAOYSA-N 368.908 4.501 0 40 FJAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)c(Cl)c1 2621114 SXYBSNRATKXHIN-UHFFFAOYSA-N 361.825 4.947 0 40 FJAB O=C(CCC1CCCC1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2650803 QHRYIMXRILYFAH-UHFFFAOYSA-N 352.482 4.580 0 40 FJAB O=C(NCc1ccccc1)c1ccc(-c2nc3ccccc3s2)s1 2653870 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4.898 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Br 9226666 UKRBCNVCGUVRNJ-JTQLQIEISA-N 354.631 4.509 0 40 FJAB CCc1ccccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 10119488 SYHPPWQLBHIOQT-UHFFFAOYSA-N 362.267 4.808 0 40 FJAB CC(C)c1ccccc1-n1ccnc1SCc1nc(-c2ccco2)no1 12519982 PCCBGOCGEOQWKF-UHFFFAOYSA-N 366.446 4.931 0 40 FJAB O[C@H](Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1 12629709 ROVKSFAIIAHYCL-QGZVFWFLSA-N 355.850 4.547 0 40 FJAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(Br)c3)c2C)c1 12891100 OTDFSVLEDIDIIK-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB C[C@H](SCc1cccc(C(F)(F)F)c1)C(=O)NCc1cccs1 12987144 SLFCGLOALRHPPN-NSHDSACASA-N 359.438 4.705 0 40 FJAB COc1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)cc1 13956895 VCHQJHKKKQMZIG-UHFFFAOYSA-N 358.426 4.682 0 40 FJAB O[C@@](CNCc1ccccc1Cl)(c1ccccc1)c1ccc(F)cc1 20365956 UJPJABBOBGIZLT-NRFANRHFSA-N 355.840 4.505 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 20487472 UTQYMDOXSOZJIZ-LAUBAEHRSA-N 355.478 4.675 0 40 FJAB O=C(CCc1ccco1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 23078049 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0 40 FJAB Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57315986 OQIISBXXNQQNLD-WYMLVPIESA-N 362.454 4.781 0 40 FJAB COc1ccc(-c2cccc(CN3CCCC[C@H]3CCN(C)C)c2)cc1 57775548 GDSSUABGLKZROX-QFIPXVFZSA-N 352.522 4.668 0 40 FJAB COc1ccc(CN(CCc2ccccc2)Cc2ccccc2)c(OC)c1 85714655 AWMKUSGKDLUFMR-UHFFFAOYSA-N 361.485 4.949 0 40 FJAB Cc1ccc([C@@H](NC(=O)C2C[C@@H]3CC[C@H](C2)C3=O)c2ccccc2)cc1C 89643191 YRPRRKAMGHTRBN-PJEZACDQSA-N 361.485 4.514 0 40 FJAB CCc1cnc(CNc2cc3c(cc2Sc2ccccc2)OCCO3)o1 95966031 NQCXGFHJCCFKGL-UHFFFAOYSA-N 368.458 4.772 0 40 FJAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N(CCc1ccccc1)Cc1ccccc1 102226704 BEBGIKYDQVWKDR-FKBYEOEOSA-N 364.558 4.794 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 102616990 WBIGAHOPUIDDCE-ZSYZGHEHSA-N 373.496 4.741 0 40 FJAB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102660490 CKJQQOPCWXDMRU-UTKZUKDTSA-N 356.429 4.652 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219361212 RQVXAIQQZLZTIT-SFTDATJTSA-N 355.478 4.737 0 40 FJAB CSc1cccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222606524 OVLDKQDXFMOEOI-UHFFFAOYSA-N 355.850 4.771 0 40 FJAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(Cl)cc1 224162682 GQEMDLQVGUWLOA-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(Cl)cc1Cl 224177506 YEPDINZSAZVQQT-GFCCVEGCSA-N 352.327 4.629 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2O1 224676913 BLJVTAYJCQFQPJ-DNVCBOLYSA-N 371.452 4.792 0 40 FJAB CCOc1cc(C(=O)Nc2cccc(O)c2)ccc1OCc1ccccc1 409083428 OIILMRWAKRUVPB-UHFFFAOYSA-N 363.413 4.622 0 40 FJAB FC(F)(F)c1cc(Cn2cc(Br)cn2)cc(C(F)(F)F)c1 685936318 QHBWQMQRUXLYHW-UHFFFAOYSA-N 373.094 4.732 0 40 FJAB Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 1126923727 QKNWPPBMILMULA-OAHLLOKOSA-N 354.494 4.977 0 40 FJAB Cc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC=O)n2)cc1 1405079 XVEZKBXWBYTCSY-UHFFFAOYSA-N 374.469 4.848 0 40 FJAB COc1ccccc1C(=O)Oc1c(-c2ccccc2)oc2ccccc2c1=O 1788374 WIORNTFADGIHKS-UHFFFAOYSA-N 372.376 4.688 0 40 FJAB CCCCCn1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2257771 FCYGONQCIYFBGJ-UHFFFAOYSA-N 368.481 4.560 0 40 FJAB CC(C)NC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 3077663 FGXLJKRSQOJNJJ-UHFFFAOYSA-N 364.470 4.806 0 40 FJAB C[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(C(C)(C)C)cc1 4732708 AMSSBSIUPGBILX-JXFKEZNVSA-N 374.488 4.604 0 40 FJAB Cc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccccc3Cl)c2c1 5033808 HQZZHLZLOAACTJ-UHFFFAOYSA-N 357.910 4.967 0 40 FJAB Cc1ccc(C(=O)[C@@H](OC(=O)c2c(C)noc2C)c2ccc(C)cc2)cc1 5195790 HKLWATVPGXZKQF-NRFANRHFSA-N 363.413 4.689 0 40 FJAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 5213485 UGGSPDPCRMCWLX-UHFFFAOYSA-N 358.850 4.927 0 40 FJAB O=[S@@]1c2ccccc2N=C(c2cccs2)C[C@H]1c1ccccc1O 5890790 NGOLXNTVIRFVBA-CYFREDJKSA-N 353.468 4.827 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 6456954 CECJQQFQGNRAGC-UHFFFAOYSA-N 367.408 4.752 0 40 FJAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2CC)cc1 6609327 SNZTYEUFTJOVLI-OAHLLOKOSA-N 365.502 4.891 0 40 FJAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 12124301 UHQVIUXUFNMAQB-FYYLOGMGSA-N 356.425 4.938 0 40 FJAB Cc1cc(C)c(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c(C)c1 13598058 JYSKWRKUFXYDDU-UHFFFAOYSA-N 355.438 4.852 0 40 FJAB O=C(NCCSc1ccc(Cl)cc1)c1ccccc1Br 18205360 ROPSJRFRSHWENC-UHFFFAOYSA-N 370.699 4.625 0 40 FJAB CCOc1ccc2oc(C(=O)OCc3nc4ccccc4o3)c(C)c2c1 21329077 DVSIOGHGXHKHKS-UHFFFAOYSA-N 351.358 4.638 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCc2ccccc2C1 22246007 DHVLVRXFJPGZSA-UHFFFAOYSA-N 367.449 4.533 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2cc3cccc(OC)c3o2)c(Cl)c1 22534738 CVYXQQDFDFVEHN-UHFFFAOYSA-N 373.792 4.524 0 40 FJAB CSc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 25537021 SCYVBXXFLVGWJX-LJQANCHMSA-N 371.477 4.874 0 40 FJAB CN(C(=O)/C=C/c1cccc(Br)c1)[C@@H]1CCc2ccccc21 27819074 JUSGUIFCHBOICT-ZPHJMFTNSA-N 356.263 4.608 0 40 FJAB COC(=O)CS[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 29387550 RHUPIZGWFSQYKQ-ZDUSSCGKSA-N 374.893 4.705 0 40 FJAB Brc1ccc(-c2nnc(-c3ccc4ccccc4n3)o2)cc1 30823859 NGMYTPQGOPQXKU-UHFFFAOYSA-N 352.191 4.714 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2cccc3nsnc23)cc1Cl 35672750 ZHAOSCXSLKUZED-UHFFFAOYSA-N 368.245 4.649 0 40 FJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)OCc1ccc(F)cc1 36648333 HSYCFVZPSXIDTC-UHFFFAOYSA-N 361.825 4.889 0 40 FJAB CCc1ccc2c(c1)N[C@@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)O2 40544797 FZTIKJBIIGKADD-QFIPXVFZSA-N 359.429 4.697 0 40 FJAB Cc1noc(C)c1[C@@H](C)C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 58216998 WJQWKZSMEMCRRM-CYBMUJFWSA-N 369.852 4.677 0 40 FJAB Cc1oc(-c2ccccc2)nc1CCNc1ncnc2cc(Cl)ccc12 58218143 NOXCWMHIJGUEAY-UHFFFAOYSA-N 364.836 4.901 0 40 FJAB CC1CCN(C(=O)c2ccc(-c3nc4ccc(F)cc4s3)cc2)CC1 59843081 YCIZZMRKYNVZOA-UHFFFAOYSA-N 354.450 4.975 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCc1ccccc1 61002746 XIFJGRNURNOEMH-UHFFFAOYSA-N 353.897 4.534 0 40 FJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC1CCCCC1 78336436 XSBMKBRABQCVSI-UHFFFAOYSA-N 360.498 4.834 0 40 FJAB CC(C)(C)OC(=O)N1CCC(CNc2cccc(Br)c2)CC1 89212576 SDKXBOXPTHODTP-UHFFFAOYSA-N 369.303 4.508 0 40 FJAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cccc(OC2CCCC2)c1 103012539 KBKFJLKVDYFEQR-TWVWUCKLSA-N 369.505 4.668 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 222558428 GSCRCWQVPSEBJQ-GOSISDBHSA-N 369.505 4.989 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1Cl 224138599 UKAQOTRSQQBNRC-INIZCTEOSA-N 371.908 4.735 0 40 FJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccccc2Cl)CC1 224532534 HEVMLTVGKRSBKS-KRWDZBQOSA-N 364.961 4.885 0 40 FJAB Nc1cc(C(=O)N2CCCC2)ccc1NC(c1ccccc1)c1ccccc1 225450463 RQNVTVVFDQHWSQ-UHFFFAOYSA-N 371.484 4.706 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)c1 226267936 FPIUMGSPCPHFHO-UHFFFAOYSA-N 355.482 4.546 0 40 FJAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3scnc3C)cs2)nc1 257255492 KHSGXRDXIOHEEQ-HNNXBMFYSA-N 371.535 4.692 0 40 FJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 408695011 NZCRXAJVDZXFLH-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC)c2ccccc21 409110241 ADRWHQLWTUPBED-VBKFSLOCSA-N 372.262 4.755 0 40 FJAB CCCc1sc2nc(SCC)n(-c3ccc(F)cc3)c(=O)c2c1C 409117899 PJJWJVRHCAAIMK-UHFFFAOYSA-N 362.495 4.959 0 40 FJAB Cc1ccc(CSCCNC(=O)CSc2ccc(Cl)cc2)cc1 409183592 DQKNPTWYFQBDFD-UHFFFAOYSA-N 365.951 4.790 0 40 FJAB FC(F)(F)Oc1ccccc1-c1ccc(-c2nc([C@@H]3CCCO3)no2)o1 514756704 LNIYFGPSYKJVQM-ZDUSSCGKSA-N 366.295 4.747 0 40 FJAB O=C(CCCn1cccc1)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 524735429 BQCOICHXXGVXDM-GOSISDBHSA-N 355.869 4.597 0 40 FJAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)c2cccc(F)c2)s1 1345342 JAGHZJPMJAAUDY-UHFFFAOYSA-N 369.465 4.955 0 40 FJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)cc1C 2325117 JINFLYRYELSUKP-KRWDZBQOSA-N 364.489 4.593 0 40 FJAB COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 2439812 JJSWGDGRKSGQHD-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB COc1cccc(N[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)c1 3347707 FDBSXCIQRBGVFP-JOCHJYFZSA-N 374.440 4.690 0 40 FJAB aggregator Cc1ccccc1CN(C)CC(=O)Nc1c(Cl)ccc(C)c1Cl 3429918 DNHFLAKFBFFULO-UHFFFAOYSA-N 351.277 4.681 0 40 FJAB O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccncc1 4043341 YFJZDTAZAMPMHN-UHFFFAOYSA-N 350.377 4.702 0 40 FJAB COc1cc(C)c(NC(=O)c2oc3c(Cl)cccc3c2C)cc1OC 6258879 DCLDUCOMIQNZJP-UHFFFAOYSA-N 359.809 4.973 0 40 FJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1Cl 6328156 AETWPIQPEVNFBB-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB COc1ccc(-c2nc(NC(=O)N3C[C@@H](C)C[C@H](C)C3)sc2C)cc1 6588697 ORRRURVEHBQXJH-STQMWFEESA-N 359.495 4.637 0 40 FJAB CCc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 6832857 CVVLJGBGMIWTLL-JOCHJYFZSA-N 372.468 4.749 0 40 FJAB COc1ccc(Cl)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603097 ZZPQIBJIAOPSSC-DHDCSXOGSA-N 361.806 4.708 0 40 FJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)o1 7990047 FBZLRRXWBHZNGP-MRXNPFEDSA-N 370.246 4.756 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 8040606 KDTQCOMDRQLPDS-IBGZPJMESA-N 359.469 4.977 0 40 FJAB S=C(NCc1ccccc1Cl)Nc1cccc(Br)c1 8104634 MKUBOGDPLQABTC-UHFFFAOYSA-N 355.688 4.589 0 40 FJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8481210 QVDQAFNSKBMCAW-SNVBAGLBSA-N 373.758 4.773 0 40 FJAB CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccoc1C 8555870 UIDXUKBRHSEJAD-UHFFFAOYSA-N 366.446 4.814 0 40 FJAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1nc2ccccc2s1 8751666 DXCHIGDCAQOMKG-HNNXBMFYSA-N 359.401 4.944 0 40 FJAB COc1cc(Cl)c(NC(=O)c2ccccc2C(F)(F)F)cc1OC 8755990 PQBSVXNZUJWMDP-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB Cc1ccc2cc(CN(C(=O)C3CCCCC3)C(C)(C)C)c(=O)[nH]c2c1 9232603 HHUVODQDWIQAHS-UHFFFAOYSA-N 354.494 4.544 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)c(C)c1 9275003 SMGGSDHDLYDTAT-UHFFFAOYSA-N 362.216 4.913 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl 9980130 KEDMDPXFWHNSGH-DJBPLVEDSA-N 358.825 4.667 0 40 FJAB CCOc1cccc(-c2csc(NC(=O)c3c(C(C)C)noc3C)n2)c1 12198979 QUVQMNJRMQSYOF-UHFFFAOYSA-N 371.462 4.881 0 40 FJAB CCOC(=O)/C(=C(/C)NN(Cc1ccccc1)c1ccccc1)C(C)C 12346543 JAZLHHOTRRVPCS-UZYVYHOESA-N 352.478 4.691 0 40 FJAB Cc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cn1 12878254 WDUSNTOAGXGXHG-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 13668612 YQELAYCWIPBCHG-HMMYKYKNSA-N 361.397 4.636 0 40 FJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccccc1 13709010 XWLIMRLRNZAUQY-KRWDZBQOSA-N 365.498 4.657 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(C2SCCS2)cc1 14077819 WBKWDJWRRLDOEX-UHFFFAOYSA-N 373.499 4.579 0 40 FJAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(C)c(C)c4)nc3C2)cc1 17076454 RQJHUOIHPLXDJR-KRWDZBQOSA-N 373.456 4.758 0 40 FJAB CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2O)cc1 22024212 CBQJJQKRGIARMO-UHFFFAOYSA-N 355.434 4.563 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccsc1 25330530 PKEXPNSMVQZYLL-INIZCTEOSA-N 374.893 4.694 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)cc1 30850658 MPLPJTIKZDYQIC-KSFYIVLOSA-N 363.457 4.883 0 40 FJAB Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1C 31420264 GQBQCADPVOKINU-UHFFFAOYSA-N 358.488 4.892 0 40 FJAB Cc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)s1 32610057 HYXDATKEJOOCSD-UHFFFAOYSA-N 365.380 4.572 0 40 FJAB CC(C)c1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)cnn1-c1ccccn1 32911714 NOAYOZOGYWEISA-HNNXBMFYSA-N 374.444 4.628 0 40 FJAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(Oc3cnccn3)c2)o1 33137313 RJTXBGYLDWWPJF-YPWKKJFASA-N 361.401 4.637 0 40 FJAB COc1cccc(NC(=O)Nc2ccccc2NC(=O)c2ccsc2)c1 38678868 ZSNMSGOBJLYIRE-UHFFFAOYSA-N 367.430 4.653 0 40 FJAB O=C(NCCSC1CCCCC1)c1ccc(CN2CCCCCC2)cc1 38852880 BVQLZFJDYOJSEJ-UHFFFAOYSA-N 374.594 4.858 0 40 FJAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2)o1 40544942 VKFQJXWSCLKSGG-AATRIKPKSA-N 372.012 4.569 0 40 FJAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 49544409 FSZSLVFQTYQQCB-UHFFFAOYSA-N 350.447 4.620 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(C)cc1)CO3 55396213 VWGQSUHYYXGTCJ-UHFFFAOYSA-N 363.457 4.714 0 40 FJAB biogenic CCC[C@@H](C)N(C)C(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 58198033 FQBBDVQLRSFRNP-IIBYNOLFSA-N 372.484 4.948 0 40 FJAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccc(O)cc1 58223083 WAMODOSIFCHHPY-INIZCTEOSA-N 350.340 4.780 0 40 FJAB CCSc1ccc(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cn1 63774036 QWHHPQVCDSTUMT-LBPRGKRZSA-N 358.442 4.864 0 40 FJAB CCc1cc2c(N3CCC(c4c[nH]c5ncccc45)CC3)ncnc2s1 64915201 SRFVAGNRRYKDGA-UHFFFAOYSA-N 363.490 4.514 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Br)ccc1Cl 64982324 CCLMNQUGCYHPRP-LLVKDONJSA-N 368.658 4.817 0 40 FJAB CN(C(=O)C(C)(C)c1ccc(Br)cc1)c1ccccc1F 72080543 HHGLSEGOISMKHN-UHFFFAOYSA-N 350.231 4.529 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)c(N)cc1Cl 72229520 NOMDQIXWQCBPII-UHFFFAOYSA-N 359.640 4.555 0 40 FJAB OC1(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)CCC1 78601610 JLWLZAAEXZPYAN-UHFFFAOYSA-N 351.475 4.563 0 40 FJAB COc1ccc(C[S@](=O)C2CCCCC2)cc1SC(F)(F)F 95962106 CVFYYKORXDSUMQ-JOCHJYFZSA-N 352.443 4.889 0 40 FJAB CCNc1ccc2oc(-c3ccc(I)cc3)nc2c1 216842361 URQNMRRCOVMFDC-UHFFFAOYSA-N 364.186 4.531 0 40 FJAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)CCC2 223245033 JUVHQTCCQZWNRM-MRXNPFEDSA-N 351.490 4.729 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(OC)cc1 223283886 CMSQELUTSPVRIG-ZHRRBRCNSA-N 367.489 4.609 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(Cl)cc1 224127426 CVSFAMYPQOGSSK-OAHLLOKOSA-N 359.897 4.764 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224417194 IPOUKPKMZBKOMY-ZDUSSCGKSA-N 351.833 4.998 0 40 FJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1C 225840254 LRQFLQXOSRWBCE-MRXNPFEDSA-N 371.477 4.682 0 40 FJAB CCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225862956 ZDAVETCWXZYXFT-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225904395 MPRKTIYXSFYRIZ-OAQYLSRUSA-N 358.482 4.803 0 40 FJAB Nc1ccc2oc(-c3ccc(Br)c(Br)c3)nc2c1 226249149 DUQPLBPSBGBXCE-UHFFFAOYSA-N 368.028 4.602 0 40 FJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3cccc(F)c3)c2)o1 409184489 XPPWDTWRVGYEOM-UHFFFAOYSA-N 358.752 4.909 0 40 FJAB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)N1CCCCC1 836622 RPAVCTGVVCUODX-PKNBQFBNSA-N 360.251 4.735 0 40 FJAB C[C@H](C(=O)c1ccccc1)n1nc(-c2ccccc2)c2ccccc2c1=O 1443901 JKNXAFUCEBQZMM-MRXNPFEDSA-N 354.409 4.507 0 40 FJAB O=C(Nc1ccccc1F)N(C[C@@H](O)c1ccccc1)C1CCCCC1 1752788 RQDIWLKSTCRVTH-HXUWFJFHSA-N 356.441 4.726 0 40 FJAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 4713977 BAKHMNIEHKDIHI-UHFFFAOYSA-N 374.156 4.729 0 40 FJAB CC(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1 5798164 MESLQEJEROSKAE-UHFFFAOYSA-N 370.861 4.847 0 40 FJAB COc1cccc(CN(C)C(=O)COc2ccc(Cl)c3ccccc23)c1 6602133 CGOVLYUJWHLWMX-UHFFFAOYSA-N 369.848 4.539 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 6629559 CTNLGNZXDCIFMP-XMHGGMMESA-N 366.486 4.886 0 40 FJAB Cc1cnc(NC(=O)c2cccnc2Sc2ccccc2Cl)s1 6650687 VQTDDVCODXNDOI-UHFFFAOYSA-N 361.879 4.903 0 40 FJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2F)c1 7758790 CCYXVRZHVVYJGO-UHFFFAOYSA-N 362.404 4.568 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3Cl)ccc2c1 8076836 DOSGCOHRAHGLQM-AWEZNQCLSA-N 353.849 4.922 0 40 FJAB C[C@H](NC(=O)c1ccccc1OCCOc1ccccc1)c1cccs1 8404211 GFCXUQRAQUDSMY-INIZCTEOSA-N 367.470 4.697 0 40 FJAB CCOc1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 8724018 XIORLOPGMYHIPI-CMDGGOBGSA-N 373.836 4.552 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(CC)cc3)ccc21 9136729 YQKYTAKZRJIMHF-UHFFFAOYSA-N 350.462 4.581 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 10279775 FYMBQLWFXWOAQB-KKSFZXQISA-N 368.477 4.524 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10978717 HULAJHHSRQFALL-SFHVURJKSA-N 366.505 4.562 0 40 FJAB Cc1ccc(C)c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 11620720 SFHGAULPGOVPSO-UHFFFAOYSA-N 357.885 4.608 0 40 FJAB CCOc1ccc(NCc2cc3ccc(CC)cc3[nH]c2=O)c(OCC)c1 12144344 ULQNCYPZLTZGFE-UHFFFAOYSA-N 366.461 4.500 0 40 FJAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(C)c1 12974776 VXAFLJRSZCLHKW-UHFFFAOYSA-N 356.853 4.644 0 40 FJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccs2)s1 12982111 NGRARMXIEPWPDR-WQLSENKSSA-N 365.842 4.728 0 40 FJAB Cc1cccc(-n2c(S)nnc2COc2cccc3ccccc23)c1C 13535118 WXRVFZXMNLNKEK-UHFFFAOYSA-N 361.470 4.905 0 40 FJAB Cc1ccccc1OCCN(C)C(=O)c1ccc(C2SCCS2)cc1 14185800 PFRLQBFOTQIQMO-UHFFFAOYSA-N 373.543 4.625 0 40 FJAB C[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 19205572 ILUJDPNQPVRONE-SECBINFHSA-N 356.622 4.733 0 40 FJAB CCOc1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 20457307 HPRPBJNWRZKONH-UHFFFAOYSA-N 365.832 4.848 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 20494018 LLMCYMRNOGXKDF-CVDCTZTESA-N 359.469 4.977 0 40 FJAB Cc1cccc(OCc2ccc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)o2)c1 28242954 AQSYYCMXRMHMGR-UHFFFAOYSA-N 373.412 4.809 0 40 FJAB CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 31961036 GBXRDUWQCDVNNK-HXUWFJFHSA-N 371.502 4.535 0 40 FJAB C[C@@H](NC(=O)c1cc(F)ccc1Br)c1cc2ccccc2o1 39984317 XEVZLPFVYBXZCD-SNVBAGLBSA-N 362.198 4.825 0 40 FJAB Cc1c(C(=O)NCc2ccc(F)cc2C(F)(F)F)oc2c(F)cccc12 46818161 ZYYNQFZJXBPSAQ-UHFFFAOYSA-N 369.289 4.968 0 40 FJAB Cc1ccccc1-c1noc(CN(C)[C@H](C)c2nc3ccccc3s2)n1 50273909 FGYHBVXBYKYESD-CQSZACIVSA-N 364.474 4.848 0 40 FJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C1=O 100079788 OQFDXTVYNVACPP-IONDEXAJSA-N 367.876 4.831 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 219375561 JAPZXMARPIGSFX-OAQYLSRUSA-N 369.505 4.609 0 40 FJAB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(C(C)C)c1C 222588475 RSKBDVQIEXKVEY-CJMONDIMSA-N 368.550 4.979 0 40 FJAB Fc1ccc(CNC(=S)Nc2ccc(Sc3ccccc3)nc2)cc1 223948405 XJVIFGZHIXEFJJ-UHFFFAOYSA-N 369.490 4.859 0 40 FJAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)on1 224065058 DQMHLYHENGYVBJ-UHFFFAOYSA-N 354.409 4.861 0 40 FJAB Cc1cc(OCC(=O)NC(C)(C)CC(C)(C)C)cc(C)c1Br 224243266 FPJWKWCLTJSKMX-UHFFFAOYSA-N 370.331 4.776 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 224442572 PVMJTASGBUZWNH-CYBMUJFWSA-N 351.874 4.898 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225083421 RCZDVDDRIOSYQD-MRXNPFEDSA-N 353.245 4.993 0 40 FJAB CC(C)COc1ccc(NC(=O)C(Cl)(Cl)Cl)c2cccnc12 225879574 JPZRQMJZNOVLCF-UHFFFAOYSA-N 361.656 4.578 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225885560 GDHOHRBIMQKGLI-QZTJIDSGSA-N 351.490 4.827 0 40 FJAB Fc1ccc([C@H]2CC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 528084081 UNOKYQAWJSQGTQ-QZTJIDSGSA-N 364.424 4.532 0 40 FJAB CCOC(=O)c1c(Cl)sc2c(C(=O)OCC)c(Cl)sc12 1857792447 FWYGRZLAGNRAIJ-UHFFFAOYSA-N 353.248 4.623 0 40 FJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccco2)C1 784694 ICITYUFDYDUMKE-NYHFZMIOSA-N 366.461 4.573 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 1326511 TXYYKQFCCHZNOD-UHFFFAOYSA-N 355.825 4.893 0 40 FJAB C[C@H](CC(C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1)N(C)C 1648496 XBOQPGNZBJLXJS-HXUWFJFHSA-N 372.512 4.952 0 40 FJAB O=C(c1ccc(Cl)cc1)N1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 2374842 HMFUTGYCUOZYBV-KOLCDFICSA-N 369.692 4.604 0 40 FJAB Cc1ccccc1Nc1nnc(SCC(=O)c2ccc(F)cc2)s1 3464196 LFTIFLHAPQNQDK-UHFFFAOYSA-N 359.451 4.704 0 40 FJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4084098 QXKRUGDXPWHXHL-KVWWBZGASA-N 374.521 4.813 0 40 FJAB biogenic Cc1ccc(C)c2sc(NC(=O)c3cccc(Br)c3)nc12 4330879 HESBKFIVIZMGSW-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)c1nnc(-c2ccccc2)o1 5313782 YAXPBABOYHUOIL-CYBMUJFWSA-N 368.458 4.985 0 40 FJAB Cc1nc(SCc2nnc(C)o2)c2c(-c3cccs3)csc2n1 5422892 WIBHJKLUBYFPIM-UHFFFAOYSA-N 360.489 4.712 0 40 FJAB Clc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1Cl 5528812 UDCGZBBINLTFTG-UHFFFAOYSA-N 367.305 4.991 0 40 FJAB Cc1ccc([C@@H]2C[C@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 6550587 VJKRBHWNWSGRQL-DLBZAZTESA-N 358.367 4.752 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 8224167 SBFGRDVZSZSSKI-LLVKDONJSA-N 368.271 4.849 0 40 FJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc2ncsc2c1 8394036 RKCDNSRKCMRKEE-UHFFFAOYSA-N 367.655 4.965 0 40 FJAB COc1ccc(N(CC(=O)c2ccc(C)cc2)C2=NCCCCC2)cc1 8411400 OQGOSVUBKOEIKS-UHFFFAOYSA-N 350.462 4.665 0 40 FJAB CCOc1ccccc1/C=C/C(=O)Nc1ccc(-c2nccs2)cc1 8754335 RPYCZUDXRTYPAK-FMIVXFBMSA-N 350.443 4.861 0 40 FJAB COc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)c(C)c1 8762430 IURROUNWDVLKKS-XMMPIXPASA-N 359.469 4.760 0 40 FJAB CC1=Nc2ccccc2N=C(NC(=O)Cc2ccccc2)[C@H]1c1ccccc1 9426354 LCHTZZBLBNMDQD-HSZRJFAPSA-N 367.452 4.965 0 40 FJAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3cc2O)c1)c1ccco1 11360991 PHODDDKLAHAQTM-UHFFFAOYSA-N 372.380 4.643 0 40 FJAB CCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 11914397 YFDPCFVIWXHAHG-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1OC(F)F 12814425 ISPQJVUBOBRLFH-UHFFFAOYSA-N 368.383 4.588 0 40 FJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCC(C(C)(C)C)CC1 12921342 NVUVXYKQNRXEBO-IVMQYODDSA-N 368.525 4.639 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(F)c(C)c3)ccc2c1 12997501 GXRKBVZYIMSUPA-OAHLLOKOSA-N 351.421 4.716 0 40 FJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(F)c1)c1ccccc1 14792877 VYLQDJUIXNQGGL-HNNXBMFYSA-N 362.404 4.569 0 40 FJAB COc1cccc(OC)c1CN[C@@H](Cc1ccsc1)c1ccc(C)cn1 19215432 HSKKFVKBTBTSRM-IBGZPJMESA-N 368.502 4.542 0 40 FJAB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1cc(N)ccc1OC 19736745 IBYZDFDXENTZJI-KBXCAEBGSA-N 356.466 4.587 0 40 FJAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2cccc(F)c2)o1 20728713 IBMXCULUYAAUMT-OAHLLOKOSA-N 355.394 4.571 0 40 FJAB O=C(c1cc2ccccc2s1)N1CCN(Cc2cccc(Cl)c2)CC1 23846504 VXNGPTCFTXIHMR-UHFFFAOYSA-N 370.905 4.513 0 40 FJAB Cc1cc(-n2c(C)cc(-c3csc(Cc4csc(C)n4)n3)c2C)no1 26981904 QVOCASPRYPANMX-UHFFFAOYSA-N 370.503 4.870 0 40 FJAB Cc1cccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)c1C 27027152 KOXAQTSFYQBYDJ-UHFFFAOYSA-N 356.466 4.625 0 40 FJAB C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)c1ccccc1Cl 32854438 NSGXVLDFCZWXGA-LLVKDONJSA-N 357.759 4.615 0 40 FJAB O=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCC1 35292358 XOFSOZZLVGGLOF-JLYLLQBASA-N 361.917 4.790 0 40 FJAB O=C(CSc1ccc(F)cc1)Nc1cccnc1Oc1ccccc1 36397611 KTGOVQPKLDFEGH-UHFFFAOYSA-N 354.406 4.744 0 40 FJAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2)CC1 38756019 NQBFNCGJWFHSNE-UHFFFAOYSA-N 366.505 4.958 0 40 FJAB Oc1c([C@H](Nc2ccc(Cl)cn2)c2ccccn2)ccc2cccnc12 46085450 GBBDAFITRZMZCP-IBGZPJMESA-N 362.820 4.585 0 40 FJAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 49549169 OZXGLSKGZBZFHX-LBPRGKRZSA-N 372.222 4.566 0 40 FJAB Cc1nc(Cc2nnc(S[C@H](C)c3ccc(F)cc3F)o2)cs1 58170979 ROKILVIFLKTIDI-MRVPVSSYSA-N 353.419 4.557 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(OC)cc1 59351974 NTLCMANHGMGDCC-AUUYWEPGSA-N 361.869 4.692 0 40 FJAB Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84008334 OWNHVBDBQHGVFE-HUUCEWRRSA-N 365.399 4.842 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 219515416 ZPXMDORSMWNHDW-GCJKJVERSA-N 369.505 4.983 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C(C)C)CC(C)(C)O2 222812578 KDDJCEMPZAWKOO-LJQANCHMSA-N 367.489 4.916 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 224176070 INGQXDDXTAVOBF-UHFFFAOYSA-N 367.470 4.780 0 40 FJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Cl)cc1 224452770 MAFGZFLEUOHLFH-IRXDYDNUSA-N 355.850 4.505 0 40 FJAB c1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 409004518 BIEZGPJVQJDLQF-UHFFFAOYSA-N 352.459 4.820 0 40 FJAB Clc1cccc(-c2nc3c(c(NCCc4cscn4)n2)CCCC3)c1 1650864537 GDECKRRJPUMRMH-UHFFFAOYSA-N 370.909 4.787 0 40 FJAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(C)=O)c3)nc2c1 1019395 ZYQFHYPVSBLJOF-GFCCVEGCSA-N 367.474 4.841 0 40 FJAB CC(C)CN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(Cl)c1)C2 1369530 KUJRHWASKJBAED-ROUUACIJSA-N 365.974 4.668 0 40 FJAB O=Cc1c(-c2ccc(Br)cc2)nc2sc3ccccc3n12 1528098 LKUIUJZCNCTJGA-UHFFFAOYSA-N 357.232 4.791 0 40 FJAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 1576348 MKKCVNJPERCQBR-DNVCBOLYSA-N 369.461 4.814 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc(C)c1C 2658054 BGUQEDRJAIHJHG-LLVKDONJSA-N 370.305 4.828 0 40 FJAB CCN(Cc1ccccc1)C(=S)NC(=O)c1ccc(Cl)cc1Cl 3279465 QADBZHAFFFVEJY-UHFFFAOYSA-N 367.301 4.530 0 40 FJAB CCOc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)cc1 3648135 WSCCAZITJLVSOY-UHFFFAOYSA-N 368.458 4.888 0 40 FJAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)c4ccccc4)[C@H]3C=C12 4028484 FYEXWWJAZZNSHA-IVVFSKFDSA-N 351.490 4.572 0 40 FJAB biogenic COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1Cl 4354920 WCQJOHBPPVCAJT-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB COc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 4682615 DJVZJZMLECRIGC-ZDUSSCGKSA-N 374.868 4.651 0 40 FJAB CC(=O)O[C@H](c1ccccc1)c1ccccc1CN(C(C)=O)c1ccccc1 5431242 UWDADXOYVBNQHH-XMMPIXPASA-N 373.452 4.892 0 40 FJAB COc1ccc(NC2=NN=C(c3ccc(Cl)c(Cl)c3)CS2)cc1 5862090 INUAJPDMFXXZAQ-UHFFFAOYSA-N 366.273 4.921 0 40 FJAB COC[C@H](C)n1c(C)cc(C(=O)COc2cccc3ccccc23)c1C 6010677 BSSHMQJTEGLGON-INIZCTEOSA-N 351.446 4.727 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccc(Cl)cc3o2)c1C 6399444 LXVDNRHNRAJSCG-UHFFFAOYSA-N 362.838 4.604 0 40 FJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCC(C)CC3)cc12 6509663 PRTAONNKPYXBQF-UHFFFAOYSA-N 373.909 4.921 0 40 FJAB Cc1ccc(Nc2nc(COC(=O)c3ccc(Cl)nc3)cs2)cc1 6634597 BXFATPLMMJLRSP-UHFFFAOYSA-N 359.838 4.601 0 40 FJAB CCSc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 6948161 NMSGCDUMDQGDDW-UHFFFAOYSA-N 367.927 4.754 0 40 FJAB COc1ccc2oc(C(=O)N(C)CCOc3ccc(Cl)cc3)c(C)c2c1 7406485 RKGLPMZKMKOPPR-UHFFFAOYSA-N 373.836 4.554 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(C(F)(F)F)c1 8493079 XWJYTLTUNIDXJH-CQSZACIVSA-N 353.340 4.510 0 40 FJAB Cc1cc(C=O)c(C)n1-c1sc2c(c1C(=O)O)CC[C@H](C(C)(C)C)C2 8731405 AIHXUSMULCCHAV-AWEZNQCLSA-N 359.491 4.817 0 40 FJAB O=C(Nc1nnc(SCCCc2ccccc2)s1)c1cccs1 9095390 PUMQSRPLYVMMGQ-UHFFFAOYSA-N 361.517 4.577 0 40 FJAB O=C(Nc1cccc2ccccc12)c1cc(=O)c(OCc2ccccc2)co1 11856564 BPSSPWZDTULLRG-UHFFFAOYSA-N 371.392 4.624 0 40 FJAB CCOc1cccc2s/c(=N/C(=O)c3cccc(Cl)c3)n(CC)c12 12378127 ICVDWCXHFOHBRG-CZIZESTLSA-N 360.866 4.516 0 40 FJAB COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1 12419493 YHKHRIXTVIRUDU-MRXNPFEDSA-N 365.454 4.810 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(F)c(Cl)c2)cc1 12761023 RUAPFFSIGFBIQQ-PHRJPNOBSA-N 359.828 4.865 0 40 FJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 12779171 MSDJZBYZNUJBDR-DEOSSOPVSA-N 371.480 4.939 0 40 FJAB COc1cc(Br)c(/C=C/c2ccc3ccccc3n2)cc1O 13135328 FHPOUIPJNQWWAY-VQHVLOKHSA-N 356.219 4.882 0 40 FJAB CCN(Cc1ccc(Cl)s1)Cn1nc(NC(C)C)sc1=S 14141136 KAIMEFJWJPVQAG-UHFFFAOYSA-N 362.977 4.689 0 40 FJAB COc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19324957 FGYVPGQEQNQENI-UHFFFAOYSA-N 358.485 4.712 0 40 FJAB CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)cc(C)c1 28252101 MJBABMLSAGHDOU-UHFFFAOYSA-N 361.507 4.982 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccc(OC(C)C)cc1 30870149 KXPLPJVJEOYFQJ-NRFANRHFSA-N 369.505 4.689 0 40 FJAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(CC)cc2)cc1OCC 31006260 OQYHEYUYOAUVLN-UHFFFAOYSA-N 369.461 4.648 0 40 FJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1ccc(F)cc1F 32647653 QQGIGAJLAXAMBJ-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB CSCC(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 32962354 YSTAGDURSULKOH-UHFFFAOYSA-N 371.531 4.578 0 40 FJAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 33317682 VGGROEUSDULSSJ-GZTJUZNOSA-N 373.861 4.975 0 40 FJAB Cc1cccc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1 36646434 PNTYLJPSYFOALO-UHFFFAOYSA-N 363.486 4.946 0 40 FJAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(Br)s1 49548355 AFBPPZJMSZXNIH-QMMMGPOBSA-N 354.273 4.586 0 40 FJAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c1 49548851 UWNPGQKRISNTCW-MRXNPFEDSA-N 367.836 4.717 0 40 FJAB Cc1ccc2c(CN(C)CCOc3ccc(Cl)cc3)cc(=O)oc2c1C 58157496 IBRYMAIKRWTLFL-UHFFFAOYSA-N 371.864 4.574 0 40 FJAB Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)cccc1C(=O)N1CCCC1 58417033 VJCRPBUJLUFWKO-FMIVXFBMSA-N 368.864 4.536 0 40 FJAB COc1ccc(Cl)cc1NCc1nnc(-c2ccc(Cl)cc2)o1 62650105 LLJLJKHYOFJICQ-UHFFFAOYSA-N 350.205 4.664 0 40 FJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1 72215875 GGYFIXHRPVCFLA-GOSISDBHSA-N 353.466 4.969 0 40 FJAB CC(C)CCOc1ccc(NCc2nc(Cc3ccccc3)no2)cc1 72305759 HZVOIOKEBCOIQM-UHFFFAOYSA-N 351.450 4.697 0 40 FJAB Cc1cc2cc(NC(=O)CC[C@H]3C(=O)Nc4ccccc43)cc(Cl)c2o1 100778567 AFAZTKIEULRHRJ-OAHLLOKOSA-N 368.820 4.849 0 40 FJAB CC(C)Oc1cccc(CNC(=O)CSCc2ccc(Cl)cc2)c1 113935234 XMDVRIHUUNVXNM-UHFFFAOYSA-N 363.910 4.677 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219313905 HTIUVXHQPBAHDV-MOPGFXCFSA-N 367.489 4.879 0 40 FJAB CC(C)Sc1ccccc1C(=O)NCCCN1CCCc2ccccc21 219660325 CCEMWMXDCVNFDW-UHFFFAOYSA-N 368.546 4.760 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1cccc(C)c1 224473991 SWOZWXWHLRZRMH-SFHVURJKSA-N 363.910 4.714 0 40 FJAB CC[C@@H]1N=C(c2ccccc2F)c2cccn2-c2cc(OC)c(OC)cc21 225378106 VHVCIOSFRUYMKU-KRWDZBQOSA-N 364.420 4.936 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 225535077 MLRCSNOCZVBWFI-QGZVFWFLSA-N 367.474 4.564 0 40 FJAB Cc1cc(C2(c3ccc(NC=O)c(C)c3)CCCCC2)ccc1NC=O 255189866 SQGJXAYBLCHNIX-UHFFFAOYSA-N 350.462 4.690 0 40 FJAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=S)o2)cc1 409151869 CMQPXDHGZJFPPZ-UHFFFAOYSA-N 373.865 4.782 0 40 FJAB C1=C[C@H](Sc2nnc(-c3cccnc3)n2Cc2ccco2)CCCCC1 574295665 UWBITSXETVXYEG-SFHVURJKSA-N 366.490 4.962 0 40 FJAB CC(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)nc(O)n3C)C(C)C)cc1 1135978417 OOIZGYNSQBUIPL-FQEVSTJZSA-N 365.477 4.529 0 40 FJAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(Cl)c(Cl)c1 1889073856 UTSFKRXVLLXKDS-UHFFFAOYSA-N 350.201 4.741 0 40 FJAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2Cl)c1 1889148851 SHASSQNZSDPQHF-YIONKMFJSA-N 364.276 4.507 0 40 FJAB O=C(Oc1ccc(Br)cc1Br)c1ccc(F)cc1 642734 RITCQZSPWBXIHK-UHFFFAOYSA-N 374.003 4.570 0 40 FJAB O=C(CCSc1nnc(-c2ccco2)o1)Nc1cccc2ccccc12 645111 CHIZIHRMKKGRRB-UHFFFAOYSA-N 365.414 4.604 0 40 FJAB Cc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c(C)c1 1018193 UWAOASCXZUGAPC-UHFFFAOYSA-N 354.866 4.714 0 40 FJAB Cc1ccc(C)c(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 1336845 JSTMDBQZWDQGTK-UHFFFAOYSA-N 370.493 4.734 0 40 FJAB CCOC(=O)c1cnc2cc3c(cc2c1Nc1cccc(Cl)c1)OCO3 1586152 MQTOBYOJIOLVLI-UHFFFAOYSA-N 370.792 4.537 0 40 FJAB O=C(Nc1cccc(Cl)c1)OCCOC(=O)Nc1cccc(Cl)c1 1672841 LWHUJWSFJIYWGH-UHFFFAOYSA-N 369.204 4.791 0 40 FJAB biogenic COc1ccc(CNCC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC 2106274 YNIYTXHJCHUJKZ-MOPGFXCFSA-N 363.542 4.661 0 40 FJAB biogenic CCc1nc2sc3c(N4CCC(C)CC4)ncnc3c2c2c1CCCC2 2270869 RLVZOSYGQNWHIY-UHFFFAOYSA-N 366.534 4.917 0 40 FJAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(Cl)s2)o1 2641637 NRQONIANFYHXPO-UHFFFAOYSA-N 369.833 4.786 0 40 FJAB Cn1nc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1C(F)(F)F 2774920 KRAVJFAMBOBHTL-UHFFFAOYSA-N 357.420 4.547 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(Cl)c2Cl)cc1C 3428533 WAEXJYYHSQFGJJ-UHFFFAOYSA-N 351.229 4.958 0 40 FJAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC 3549498 APPTXPDJTVHKSW-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccco1 4071251 CICGXCCIPGTZBR-UHFFFAOYSA-N 370.202 4.525 0 40 FJAB COc1ccc(-c2nc(NC(=O)CCc3ccccc3)sc2C)cc1 4279330 LYNQAJWFQZTUTM-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB Cc1cccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 4390664 KIUXHYIXWPHURR-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB COc1ccccc1-c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 4575013 ASUIHUJUQHAVTP-UHFFFAOYSA-N 360.826 4.511 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C(C)C)cc1 4816535 LAFREESDQIVCAA-SFTDATJTSA-N 374.488 4.618 0 40 FJAB Cc1occc1-c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 4938915 ZOCHJFMZRMXFAH-UHFFFAOYSA-N 351.218 4.728 0 40 FJAB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1c(F)cccc1Cl 5151708 OACBLNTXAXCPGB-ACUNGTFPSA-N 370.855 4.506 0 40 FJAB COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1OC 5169343 WDWPWWSDXPDGGW-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 6034941 SJSZDFPYUWDOOA-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB Cc1cc(C)c2c(C)c(C(=O)Nc3nonc3-c3cccs3)oc2c1 6669608 OYOGRFPKLZJDGD-UHFFFAOYSA-N 353.403 4.722 0 40 FJAB CCCNC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 7822097 DQHGHIOSQKGFCD-CYBMUJFWSA-N 371.531 4.674 0 40 FJAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCCCCC1 8134405 WZKIQJPBYVYBCM-CQSZACIVSA-N 353.491 4.589 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)c2ccco2)c1 8434650 LXTQOBXMMLNQTG-UHFFFAOYSA-N 362.429 4.909 0 40 FJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)c(C)c1 8476444 WDTQUSSXSRYWMQ-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB Cc1ccc(NCc2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc1 8715526 VWURWODECFRKHB-UHFFFAOYSA-N 361.470 4.881 0 40 FJAB CC[C@@H](Sc1nc(C)nc2ccccc12)C(=O)N[C@H](C)c1ccccc1 9227605 SRALTXIYHBMTFY-AUUYWEPGSA-N 365.502 4.686 0 40 FJAB Cn1cc([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 9355458 ZILXQWJRWGNWFR-QHCPKHFHSA-N 352.437 4.924 0 40 FJAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)C(C)(C)C)cc3o2)cc1 9660287 YMXWQHMJVBHQOD-UHFFFAOYSA-N 365.429 4.843 0 40 FJAB biogenic CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 11914180 JUSHDYQRBCFGLX-UHFFFAOYSA-N 371.824 4.821 0 40 FJAB C[C@H](OC(=O)c1c(F)cccc1F)c1nc2ccccc2n1C(F)F 12559774 NUZNDZAAVPZDBS-VIFPVBQESA-N 352.287 4.628 0 40 FJAB CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 13408450 NPOYAOIFAQWWBZ-QYLGYJGISA-N 362.554 4.913 0 40 FJAB biogenic Cc1occc1-c1nnc(SCc2cscn2)n1Cc1ccccc1 14167609 VUOZNULMXZAKPG-UHFFFAOYSA-N 368.487 4.644 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1Cl 15358283 VFKFVKGFDTXTRQ-VIFPVBQESA-N 358.196 4.547 0 40 FJAB Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccccc1F 17311562 GEMOVKKASKJXRI-UHFFFAOYSA-N 364.251 4.916 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O 18243898 TXLNPMJVWKULQQ-NJYVYQBISA-N 361.485 4.885 0 40 FJAB COc1cccc(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19819683 ZKAFYENDQIZCEH-UHFFFAOYSA-N 358.488 4.760 0 40 FJAB CCCCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 20427652 WIDWRCUPPUCMDU-UHFFFAOYSA-N 369.461 4.703 0 40 FJAB Cc1ccc(C(=O)NC2CCCCCC2)cc1NC(=O)c1ccccc1 20630381 DKNSOOPYFYUPAG-UHFFFAOYSA-N 350.462 4.700 0 40 FJAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)c1 20882524 BLESACNTWIUNRF-ZDUSSCGKSA-N 367.499 4.924 0 40 FJAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 22532534 XQULHZHOJRYLSK-UHFFFAOYSA-N 370.496 4.830 0 40 FJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 23973443 WSCCOCPVBRAXCR-GFCCVEGCSA-N 372.881 4.553 0 40 FJAB Cc1ccc2nc(NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)sc2c1 24663211 FWVCQBZCPTYIMO-UHFFFAOYSA-N 353.422 4.715 0 40 FJAB CCCCc1noc([C@@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)n1 26646769 GYEIRCLBACHPSW-QGZVFWFLSA-N 369.509 4.685 0 40 FJAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccco3)n2c1 26963070 PGRBOFYMVKTMDA-UHFFFAOYSA-N 351.793 4.808 0 40 FJAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N1CCc2sccc2C1 27467049 SRGSHVRFYCZFRT-GFCCVEGCSA-N 374.556 4.689 0 40 FJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C)on1 32889641 YXOOCPHICFJHFF-UHFFFAOYSA-N 365.433 4.616 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1cccc(C(F)(F)F)c1 40096067 ORVCIKQLYJAWPX-LBPRGKRZSA-N 352.356 4.939 0 40 FJAB Fc1ccccc1CN(Cc1noc(-c2ccc(Cl)cc2)n1)C1CC1 57963841 HPBCSTNCRVPTQS-UHFFFAOYSA-N 357.816 4.694 0 40 FJAB CCCc1nc(C)c(C(=O)Nc2ccnc(Sc3ccccn3)c2)s1 71853300 MHDXIYZIGRREAJ-UHFFFAOYSA-N 370.503 4.598 0 40 FJAB Cc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 72348811 FMTUDJHKSQRHAY-UHFFFAOYSA-N 357.501 4.755 0 40 FJAB Clc1cc(CSc2nncc3ccccc23)cc2c1OCCCO2 74000865 NIZHGYBAXJCXEY-UHFFFAOYSA-N 358.850 4.737 0 40 FJAB O=C(Nc1ccc(Br)c(F)c1)c1ccc(Br)cc1 80053747 ANVXMKJIIDNSIZ-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB CCNCc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc12 96115032 FRIUYGLDKLXHRF-UHFFFAOYSA-N 362.429 4.636 0 40 FJAB biogenic CSc1ccccc1C(=O)NCc1ccc(C(=O)c2ccccc2)s1 96119866 OMZFDOKDXJPWCB-UHFFFAOYSA-N 367.495 4.631 0 40 FJAB CCCNC(=O)/C(=C/c1ccc(Br)cc1)c1cccs1 96991346 AQACKSDJCZPACE-SDNWHVSQSA-N 350.281 4.577 0 40 FJAB O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc(-c2ccsc2)cc1 211117953 XSLCRHVPTDRICC-OAQYLSRUSA-N 362.498 4.814 0 40 FJAB Brc1ccc(Cc2nc3ccc(-n4cccc4)cc3o2)cc1 216742604 INNUMLULZDWMCO-UHFFFAOYSA-N 353.219 4.972 0 40 FJAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222757421 VXNMFYSGUQNTLR-ZWKOTPCHSA-N 369.877 4.597 0 40 FJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 222780561 HJEWLDXTVKEVSD-UXHICEINSA-N 368.550 4.607 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 222976752 LWRXFTCVBVBKJF-ROUUACIJSA-N 351.490 4.827 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1cccc(Cl)c1 224149695 ZRDPAMYJGFMCGM-UHFFFAOYSA-N 373.880 4.944 0 40 FJAB CC(C)c1ccc(OCC(=O)NCC2=CCCCC2)c(Br)c1 224249190 VIMLCTDIRWSUKA-UHFFFAOYSA-N 366.299 4.568 0 40 FJAB CCCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)C)c1 224561940 BGTJHPOLLUOJMH-UHFFFAOYSA-N 355.478 4.928 0 40 FJAB O=C(NCc1cccnc1-c1ccsc1)NCc1cccc2ccccc12 225648690 YLERJHRVGALHMX-UHFFFAOYSA-N 373.481 4.963 0 40 FJAB COc1cccc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 257229027 FWJKNYKGSHSOBB-UHFFFAOYSA-N 374.488 4.608 0 40 FJAB Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)cc(N(C)C2CCCCC2)n1 257267937 MJNCUIFBLGBHER-SFHVURJKSA-N 374.529 4.626 0 40 FJAB O=C(c1cc2ccccc2s1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390828645 BNBVVUBHRUDOFZ-HOTGVXAUSA-N 364.470 4.511 0 40 FJAB C[C@]12CC[C](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1 1560411835 NCVOWRRCRODHCI-NLQREHEDSA-N 373.513 4.529 0 40 FJAB Cc1ccc(NC(=O)c2cccc(I)c2)cc1Cl 820940 IVYBVOARKALEDK-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2nc1Cl 1367593 KHWHFFAEICRCTQ-UHFFFAOYSA-N 356.828 4.884 0 40 FJAB O=c1c2ccccc2nc2n1[C@@H](CSCc1ccc(Cl)cc1)CS2 1405490 XXZNPEFTVPSLQG-AWEZNQCLSA-N 374.918 4.630 0 40 FJAB CCOc1ccc(Nc2nc(Cl)nc(NCCC3=CCCCC3)n2)cc1 1438372 IOASUBWQMKQSDQ-UHFFFAOYSA-N 373.888 4.970 0 40 FJAB CCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccc(OC)cc3)ccc12 2145444 DGRZYJXFKARKAF-UHFFFAOYSA-N 366.413 4.672 0 40 FJAB biogenic O=c1c(-c2ccccc2)cc(-c2ccccc2)nn1Cc1ccccc1F 2238523 VTWVCEFUTUPVPV-UHFFFAOYSA-N 356.400 4.765 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)cs2)cc1 3288898 ROCHODBQBJHGSV-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB Cc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4cccc(C)c4)c3n2)cc1 3369609 CXMKEEUUOJIDKU-UHFFFAOYSA-N 357.413 4.711 0 40 FJAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C2CCCCC2)cc1 3662198 NJVCZGSVAIFBQA-INIZCTEOSA-N 355.503 4.874 0 40 FJAB CCCCSc1nnc(COc2ccccc2)n1Cc1ccccc1 4169199 FKXACZWUAZOOJU-UHFFFAOYSA-N 353.491 4.798 0 40 FJAB COc1ccc(-c2ccc(SCc3cccc(F)c3)nn2)cc1OC 4355639 XXPIYSAVDMPTQY-UHFFFAOYSA-N 356.422 4.592 0 40 FJAB CCN1C(=O)c2cccc3c(NC(=O)CSc4ccccc4)ccc1c23 5192088 BNDBMFRUNLAVRZ-UHFFFAOYSA-N 362.454 4.551 0 40 FJAB COc1cccc2c1OC1(CCCC1)N1N=C(c3ccc(F)cc3)C[C@H]21 5235433 FBQPDGXUDLHWTA-GOSISDBHSA-N 352.409 4.648 0 40 FJAB O=NN(C1CCCCC1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 5279736 DNDCAXHLEYVGFX-PZJWPPBQSA-N 350.418 4.688 0 40 FJAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 6470587 WRXSWEQTCSPSJI-LDADJPATSA-N 353.443 4.630 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 7985363 BFPQUQFQFQXYRI-KRWDZBQOSA-N 372.468 4.837 0 40 FJAB Cc1nc2cc(C(F)(F)F)ccc2c(O)c1CN(C)Cc1ccccc1 8717346 GWYZTQXRTMPWNK-UHFFFAOYSA-N 360.379 4.900 0 40 FJAB COc1cc(C)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 8735865 NFSLZFDYFTXSHI-UHFFFAOYSA-N 354.233 4.500 0 40 FJAB O=C(NC1CC1)[C@H](Oc1cc(Cl)ccc1Cl)c1ccc(F)cc1 12238485 ITMMMJQORHXWSA-MRXNPFEDSA-N 354.208 4.531 0 40 FJAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12654334 IOUYXYGRBKBIAU-WZXYQSIOSA-N 361.526 4.855 0 40 FJAB Cc1ccc(C)c(OCCSCCC(=O)N[C@H](C)c2ccccc2)c1 12948675 SPINZNXLIOEPQJ-GOSISDBHSA-N 357.519 4.683 0 40 FJAB COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2Cl)cc1 13656267 AFMFEKWDDBTTOG-UHFFFAOYSA-N 355.290 4.831 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 14258399 PBOJIJQAUCLXLF-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB Cc1ccc(CNC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245689 MIVMJEYPZQJMAG-UHFFFAOYSA-N 355.438 4.573 0 40 FJAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2o1 22768799 KHQALGFYMPBOTD-UHFFFAOYSA-N 358.353 4.764 0 40 FJAB OCc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccncc1 29136086 JBSVHWCIKVSTTH-UHFFFAOYSA-N 369.343 4.599 0 40 FJAB in-vivo COc1ccc([C@H]2CCCN2Cc2csc(C(C)(C)C)n2)cc1OC 30926788 DOXLUBPLHITLKJ-MRXNPFEDSA-N 360.523 4.795 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 40096684 YJAPURXFAJBZGU-JTQLQIEISA-N 366.248 4.835 0 40 FJAB Cc1ccc(F)c(NC(=O)N(C)Cc2ccccc2Br)c1 40099209 NVGZIYLFKCQGCJ-UHFFFAOYSA-N 351.219 4.561 0 40 FJAB O=C1Nc2ccccc2/C1=C/c1cccc(/C=C2\C(=O)Nc3ccccc32)c1 44867444 OETJQHTUUHEAEF-AXPXABNXSA-N 364.404 4.672 0 40 FJAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H](c2nc3ccccc3o2)C1 48164050 NJGSFFGCFLAFAT-MJGOQNOKSA-N 360.457 4.654 0 40 FJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2sc(C(C)C)nc2C)cc1 48276718 RZEHBWXMAJWYNN-KRWDZBQOSA-N 358.507 4.951 0 40 FJAB C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H](c2ccccc2)O1 57995967 UFPAFAOQZCTTBC-BFUOFWGJSA-N 355.821 4.688 0 40 FJAB CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCCO2)c1cccs1 58210025 GBDUYDKRGYJWTP-QGZVFWFLSA-N 360.479 4.818 0 40 FJAB C[C@H]1CCCC[C@@H]1OCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 63579578 OBWBPLIKWLIVAQ-BBRMVZONSA-N 354.475 4.747 0 40 FJAB Cc1c(NC(=O)N2C[C@H](C)CCC[C@H]2C)cccc1OCC(F)(F)F 72303929 CUWAETZBELVJCZ-CHWSQXEVSA-N 358.404 4.979 0 40 FJAB Cc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1C 72333530 XDSVEXBPGJHNQL-UHFFFAOYSA-N 364.518 4.937 0 40 FJAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccccc3)n2)cc1 72357586 LIXKLMDRROOMEV-HSZRJFAPSA-N 356.469 4.958 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 79112497 DXSOMBCQMXHTGM-SFHVURJKSA-N 350.805 4.925 0 40 FJAB O=S(=O)(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccccc1 84846889 DHBRZEHYRUKIHH-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB O=C(Nc1ccc(OC(F)F)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102824585 RAUKRSIRFYZSCN-SKLAPFLYSA-N 355.812 4.804 0 40 FJAB C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 222686713 KHTAMPQLOICWRK-MRXNPFEDSA-N 367.489 4.565 0 40 FJAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(Cl)cc1 224161428 ZETLLUOGESVINX-UHFFFAOYSA-N 373.880 4.944 0 40 FJAB COc1ccc(Cl)cc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225120346 XWSNOBNRMCCGBA-GOSISDBHSA-N 362.853 4.721 0 40 FJAB Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 225136997 FYZFFEBAETYKLQ-UHFFFAOYSA-N 357.866 4.657 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(N)c1 226348133 NPLUOTWPPHQRJM-UHFFFAOYSA-N 356.809 4.833 0 40 FJAB Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 226365511 QOJADKPASWSZCZ-UHFFFAOYSA-N 371.234 4.852 0 40 FJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CC[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]21C 257349004 KTDCVTGLYJBIFI-SXSHWNGBSA-N 358.522 4.920 0 40 FJAB CCCN1CC[C@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@H]12 306129146 HVRMBGCKDGCSBG-ZCYQVOJMSA-N 371.528 4.919 0 40 FJAB O=C(NCCc1ccc(-c2ccoc2)s1)C1(c2ccc(F)cc2)CC1 390831853 VKVYXIIDOUDIEK-UHFFFAOYSA-N 355.434 4.538 0 40 FJAB S=C(NCc1ccco1)c1cccc(OCc2ccc(Cl)cc2)c1 408572381 GPUWLMIUWXVXDV-UHFFFAOYSA-N 357.862 4.977 0 40 FJAB Cc1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1C 604972205 FOBKVDPHLAYHRK-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB c1ccc(Cn2ncc3c(Nc4ccc5ccccc5c4)ncnc32)cc1 755326 UZCYGGFVKSHOTQ-UHFFFAOYSA-N 351.413 4.771 0 40 FJAB COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(C)cc12 991043 ACGIBRRYNOKJTM-UHFFFAOYSA-N 356.219 4.759 0 40 FJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1 996573 JTSXKTQPOQJZIO-AWEZNQCLSA-N 370.518 4.640 0 40 FJAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(F)cc1 1001926 VTJKUXQCMAPRHQ-UHFFFAOYSA-N 355.390 4.593 0 40 FJAB CCOc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 2307704 FEEHPOOPJACNLP-UHFFFAOYSA-N 356.385 4.627 0 40 FJAB O=c1[nH]c(Cc2ccc(Cl)cc2)nc2scc(-c3cccs3)c12 2643552 GPUYNCHFYKVZME-UHFFFAOYSA-N 358.875 4.957 0 40 FJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CCCO2)c(C(C)C)c1 3117822 KIYWGZQBIYXHAJ-QGZVFWFLSA-N 367.555 4.514 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)NC2=S)cc1 3273215 BWCAPWWISDWEOB-DHDCSXOGSA-N 363.269 4.564 0 40 FJAB C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc2ccccc2c1)c1ccccc1 3416916 IQTMRWLBCZFZTM-DLBZAZTESA-N 361.441 4.904 0 40 FJAB Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccc(Cl)cc1 4392435 CFAJEXPWFOWHCU-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB COc1cc(NC(=O)c2ccc(C)cc2)ccc1NC(=O)c1cccs1 4487787 SNTDOWLDOVWAPF-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB C/C(=C/c1ccccc1)[C@@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4554083 MCTAXHIAVFVFTN-KWRJMZDGSA-N 367.518 4.674 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 4682306 QRMLPSVKGFVAPZ-CAPFRKAQSA-N 374.440 4.599 0 40 FJAB COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 4715761 YFLQYSZRAXUPMR-DYESRHJHSA-N 364.376 4.670 0 40 FJAB CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CCSC)cc1 5139285 XOPSOKBNERJUMB-PZJWPPBQSA-N 352.503 4.872 0 40 FJAB COc1ccc(OC)c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 5241139 DZVAGBXDMYEBIC-UHFFFAOYSA-N 363.413 4.677 0 40 FJAB Cc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)c2ccccc2n1 5792898 LPTMGINAEIQRIK-UHFFFAOYSA-N 355.393 4.736 0 40 FJAB CCCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1OCC 5978833 SSDXTVLBOAOTRG-UHFFFAOYSA-N 363.457 4.957 0 40 FJAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(F)cc1 6743329 JNHYQFQQCZVEAP-IBGZPJMESA-N 365.404 4.504 0 40 FJAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1c(Cl)cccc1Cl 7099735 DGBKNUJIQQNQBQ-ZSOIEALJSA-N 365.241 4.625 0 40 FJAB CCCCN(C(=O)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 8427762 CHGFTGRZVGEPFX-UHFFFAOYSA-N 361.489 4.995 0 40 FJAB CSc1ccc(-c2noc(CCCCc3nc4ccccc4[nH]3)n2)cc1 8992717 MTCIZRGWAFPRTA-UHFFFAOYSA-N 364.474 4.900 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1C 9064459 IQYRTOWJYOBGGD-KRWDZBQOSA-N 352.478 4.700 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)on2)cc1 9194903 OALDLQOCYHOJIG-MRXNPFEDSA-N 350.418 4.673 0 40 FJAB O=C(NCCCCOc1ccc(F)cc1)c1cc(Cl)ccc1Cl 12392659 BYBXPPAWCQCXRV-UHFFFAOYSA-N 356.224 4.722 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 12545759 HXNDCRAUWWVGPF-CYBMUJFWSA-N 352.356 4.641 0 40 FJAB Cc1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 12927973 VQCUZWQYFFYPQD-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1 12986706 KXMPBEGJEPWIJP-DKLFZZQDSA-N 366.461 4.537 0 40 FJAB Clc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)c(Cl)c1 13131545 FLHFELVWOFKPSS-OLZOCXBDSA-N 351.262 4.793 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(Cl)c1 20138072 MUQGHRSOHSTDJB-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 20494020 LLMCYMRNOGXKDF-WMZHIEFXSA-N 359.469 4.977 0 40 FJAB Cc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cc1-n1cccc1 22613644 GGENAEXNSJUGTM-INIZCTEOSA-N 373.412 4.754 0 40 FJAB C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1cc(OC)c(O)c(OC)c1)O2 33832501 LYZVPGMCGPXCQO-JWUJALBPSA-N 356.418 4.688 0 40 FJAB biogenic,in-vitro Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)ccc1F 44837516 AVOMXPGADLNXLR-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB COCCOc1cccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)c1 58061756 DHTKSMFJCJEZTH-IBGZPJMESA-N 374.506 4.826 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3cccc(F)c3F)o2)s1 60016750 ZJAZXBKLLPEBDX-AWEZNQCLSA-N 361.417 4.722 0 40 FJAB COc1ccc(N(C(=O)c2cnc(C(C)(C)C)s2)[C@H](C)C2CC2)cc1 60306591 MWPCZDDZGVMCBZ-CYBMUJFWSA-N 358.507 4.895 0 40 FJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2ccccc2Cl)C1 77200108 XCFWNIRFZVNQBC-HOTGVXAUSA-N 372.852 4.630 0 40 FJAB Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1C 79110537 VPBZYFHOLLYAKS-LEWJYISDSA-N 360.461 4.550 0 40 FJAB Fc1ccc(-n2cc(CNc3cccc(N4CCCCC4)c3)cn2)cc1 95971905 KIHLRBXLMVBQQL-UHFFFAOYSA-N 350.441 4.614 0 40 FJAB CCc1ccc(C2=NN3[C@H](CCSC)Oc4ccccc4[C@H]3C2)cc1 102737478 XOPSOKBNERJUMB-CTNGQTDRSA-N 352.503 4.872 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)n1 148118747 MCURUPSKMWVSFZ-UHFFFAOYSA-N 353.853 4.762 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(C)cc1C 219567404 RXOQHQLUCVSNCE-MOPGFXCFSA-N 355.478 4.737 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)s2)cc1 222557010 FFNSCXQZAVJIAC-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 222816926 WVGXNVMDXYYQAB-ROUUACIJSA-N 359.441 4.568 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 223435713 NHVFBRPIVUPPAT-UHFFFAOYSA-N 362.303 4.825 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 224076714 VOCFACPCYKBSKE-UHFFFAOYSA-N 353.506 4.729 0 40 FJAB CCOCc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC 224405476 WJGAHRHNLVEWSY-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CC(C)CSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 224778115 ZGAPYDSQAMSGNJ-VMPITWQZSA-N 353.900 4.592 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)c(C)c1)CC(C)(C)O2 225680936 BSHZWLZZJPKQQW-SFHVURJKSA-N 370.518 4.901 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCc2sc(Cl)cc21 520462391 NOHNYFLGJVMVOQ-KRWDZBQOSA-N 357.910 4.981 0 40 FJAB Cc1ccc(S(=O)(=O)[C@@H]2c3ccccc3Oc3ccc(C)cc32)cc1 948675 FNVPLENSODOADJ-OAQYLSRUSA-N 350.439 4.972 0 40 FJAB CC[C@]1(C)C[C@@](CCN(Cc2ccco2)C(C)=O)(c2ccccc2)CCO1 1130545 UQORBKYGADPLOB-PKTZIBPZSA-N 369.505 4.935 0 40 FJAB biogenic CC(C)n1c(S)nnc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1 2239711 VFOTXBHNMMXJLO-UHFFFAOYSA-N 373.485 4.939 0 40 FJAB CCn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccs1 2615869 MIMVYAYAKVFXDV-UHFFFAOYSA-N 365.911 4.851 0 40 FJAB Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C 2618451 PNJABCDGUHWOMR-UHFFFAOYSA-N 354.460 4.650 0 40 FJAB COCc1c(C(=O)OCc2ncc(-c3ccccc3)o2)oc2ccccc12 3442916 TVIGBWPKGFYSQY-UHFFFAOYSA-N 363.369 4.591 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNc2ccc(C)c(C)c2)CCCC1 3648927 BXPYUGIBDIPYKU-HXUWFJFHSA-N 362.517 4.918 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4083489 QLMXZKMIBONXSF-KCRBMJMASA-N 354.490 4.926 0 40 FJAB biogenic O=C(CSc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 4118931 XULGVCDKVIPFKM-UHFFFAOYSA-N 371.889 4.781 0 40 FJAB C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(C(C)(C)C)cc1 4732706 AMSSBSIUPGBILX-UZLBHIALSA-N 374.488 4.604 0 40 FJAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 4883258 VPDDYYRSEVJSKU-AYHJJNSGSA-N 373.497 4.594 0 40 FJAB c1ccc(-c2nnc(CSc3ncnc4sc5c(c34)CCC5)o2)cc1 5212724 VSLKRRUIRZYRLX-UHFFFAOYSA-N 366.471 4.522 0 40 FJAB CCSc1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 5443191 FAOPMBSSRFKWEN-UHFFFAOYSA-N 357.460 4.695 0 40 FJAB COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@H]1CCCN(CC2)[C@@H]31 5554553 JSWHPWDJHXROFD-IVZQSRNASA-N 360.457 4.642 0 40 FJAB Cc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1Cl 6215969 AMMMZOSAVTWLQA-UHFFFAOYSA-N 369.252 4.709 0 40 FJAB CC1CCN(CCOc2ccc3c(=O)c(-c4ccccc4)coc3c2)CC1 6760822 WTDXPLBIVRTXGM-UHFFFAOYSA-N 363.457 4.571 0 40 FJAB biogenic CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 6879200 YHFJJKZVVDYLGJ-QGOAFFKASA-N 353.443 4.712 0 40 FJAB C[C@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1cccs1 7183081 DDGBLLCSPSQWQW-HNNXBMFYSA-N 352.459 4.748 0 40 FJAB O=C(NCCc1c[nH]c2ccccc12)C1c2ccccc2Oc2ccccc21 7263941 DNFQEPBUPCRXCR-UHFFFAOYSA-N 368.436 4.764 0 40 FJAB COC(=O)c1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1 7538720 HRKJPRWLABDQKL-UHFFFAOYSA-N 365.473 4.792 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)o2)cc1 7596916 DJSUNHFUAOJKMZ-SIKLNZKXSA-N 360.413 4.839 0 40 FJAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 7605516 HVAOULAQBWTDJJ-KRWDZBQOSA-N 359.425 4.846 0 40 FJAB Cc1c(CSc2nnc(-c3ccco3)o2)noc1-c1ccc(F)cc1 7726486 PQXANWDAVBCJRQ-UHFFFAOYSA-N 357.366 4.724 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(COc2ccccc2)cc1 7968273 NTLDCDRRKHPWCR-UHFFFAOYSA-N 357.331 4.935 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 8161392 AHEFOHZHXGOIAK-OAQYLSRUSA-N 369.461 4.676 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)c1 8221312 IFDRJPGTNHOYGJ-NSHDSACASA-N 368.355 4.605 0 40 FJAB O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCc2[nH]c3ccccc3c2C1 9956135 IKEDTZBQFLHSIR-CVEARBPZSA-N 350.849 4.510 0 40 FJAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1nc2ccccc2s1 9978940 KPBQQZOBILEQKF-UHFFFAOYSA-N 366.490 4.560 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 10490986 ZFYHPLHGSXSOFD-UHFFFAOYSA-N 373.790 4.545 0 40 FJAB O=C(Nc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1)C1CC1 11309059 FJWIDOIHWGOUOH-UHFFFAOYSA-N 366.436 4.625 0 40 FJAB CCc1cccc(N2C[C@H](C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1 12825650 OTFHNRDJFNKEBZ-GOSISDBHSA-N 364.489 4.672 0 40 FJAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12905676 QBEAOILXRYEUAO-UHFFFAOYSA-N 356.422 4.745 0 40 FJAB FC(F)(F)c1cnc(SCc2noc(-c3ccco3)n2)c(Cl)c1 12915409 ISCIDAOCAZADRJ-UHFFFAOYSA-N 361.732 4.689 0 40 FJAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)C3CC3)ccc12 13571374 CAEIZCFYSQXJPM-UHFFFAOYSA-N 353.805 4.974 0 40 FJAB biogenic CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N=C3O)c2c1 13801674 CORNGPJLBXMGOE-YBEGLDIGSA-N 359.472 4.966 0 40 FJAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 14074927 BSQDSBONLVYHKR-UHFFFAOYSA-N 361.285 4.697 0 40 FJAB CC(=O)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 15084974 CKYRNTDERSWOSL-UHFFFAOYSA-N 370.758 4.612 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 15840811 RZLQXNLOQSVBLL-INIZCTEOSA-N 364.445 4.656 0 40 FJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141984 WYRZSPVDTKEHCR-HNNXBMFYSA-N 365.429 4.869 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccc(C(C)C)cc1 20492339 ZUOOTFKNVKDXPX-IBGZPJMESA-N 359.897 4.980 0 40 FJAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 20632789 NJXLHPSLEYQRFN-AWEZNQCLSA-N 354.812 4.886 0 40 FJAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 21122418 WPVVDECSBKTYGI-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB O=C(CCc1ccsc1)Nc1ccc(-c2cn3ccsc3n2)cc1 21893049 HLBRLKODZATQRV-UHFFFAOYSA-N 353.472 4.696 0 40 FJAB CCOc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 30757157 RESYEFQNAPPDOA-UHFFFAOYSA-N 352.478 4.570 0 40 FJAB CC(=O)c1ccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 32901337 AHTOMSKRDULLPF-UHFFFAOYSA-N 361.323 4.570 0 40 FJAB Cc1nc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cs1 32902211 BQVGXZVZGQBRKI-UHFFFAOYSA-N 362.907 4.806 0 40 FJAB CC(C)(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 35316257 MVKXNVNGYPTLNI-UHFFFAOYSA-N 369.852 4.869 0 40 FJAB C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(F)c(F)c1 36062877 TUYDSMHYLGJDCL-LLVKDONJSA-N 353.796 4.653 0 40 FJAB COc1ccc([C@@H]2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 38566690 NHRRXGMHQZQICQ-HSZRJFAPSA-N 371.480 4.921 0 40 FJAB COc1ccc([C@H](NC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc1 40114927 SFWAHOJSQVDBKI-HXUWFJFHSA-N 367.395 4.693 0 40 FJAB Cc1cccc(-n2c(C)nnc2SCc2cc(Cl)nc(Cl)c2)c1 40157812 JIMOCCAOWSYDTD-UHFFFAOYSA-N 365.289 4.878 0 40 FJAB NC(=O)c1cccc(-c2nc(-c3cc(Cl)sc3Cl)cs2)c1 46865264 MRDZXBYFUMPPTC-UHFFFAOYSA-N 355.271 4.944 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1OC 48276343 JBRGBFHLWXEAFO-INIZCTEOSA-N 370.474 4.757 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(c2ccc(O)cc2)CC1 48373914 PZTJOWXHZIPJMJ-OAHLLOKOSA-N 373.880 4.528 0 40 FJAB CSc1cccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 58015788 UVTOQLGQAYVLHD-UHFFFAOYSA-N 351.475 4.522 0 40 FJAB Cc1ccccc1NC1CCN(C(=O)Nc2cccc3cnccc23)CC1 58356617 AHQLBASHZSVXNO-UHFFFAOYSA-N 360.461 4.652 0 40 FJAB COc1ccccc1C(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117009 CXYDZEHJPGTFEJ-INIZCTEOSA-N 354.837 4.637 0 40 FJAB CCOc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1 101084878 VZZTUZKLYWXFJM-APWZRJJASA-N 358.825 4.508 0 40 FJAB CCOc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 101084882 VZZTUZKLYWXFJM-QFBILLFUSA-N 358.825 4.508 0 40 FJAB C[C@H]1CCC(=O)N[C@H]2C(=O)[C@@]3(C)[C@@H](CC[C@H]13)[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@H]12 118939788 DVKKOXLBDFKRNO-MHLNGYCFSA-N 371.565 4.739 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2)cc1 218961830 UZACJPFPBYIXSB-UHFFFAOYSA-N 369.505 4.725 0 40 FJAB COc1ccc(CCC(=O)NCCCc2ccc(C(C)C)cc2)cc1OC 219283277 RAUGPRSVFVHPJD-UHFFFAOYSA-N 369.505 4.509 0 40 FJAB O=C(c1ccc(-n2cccc2)cc1)N1CCS[C@H](c2cccs2)CC1 219460368 XTLVGWAPEAUOSK-IBGZPJMESA-N 368.527 4.859 0 40 FJAB CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222545719 WENLRWBYRHHHLD-UHFFFAOYSA-N 370.884 4.716 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1C 225758445 LRDLRSQCTMNJKL-LJQANCHMSA-N 367.518 4.560 0 40 FJAB CCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225861778 DMAHUJQHIPAYQS-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C 230455415 YMUARTGNUFZVFK-AABFTTDASA-N 357.494 4.727 0 40 FJAB biogenic COc1cccc(NC(=O)N[C@H](c2ccsc2)c2cccs2)c1OC 390827485 YMKMLADLNYZAHB-MRXNPFEDSA-N 374.487 4.738 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCSC2CCCCC2)cc(C)c1Cl 408706112 VJUOOCQLRLJGLL-HNNXBMFYSA-N 369.958 4.906 0 40 FJAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3(C)CCCC3)cccc2c1=O 728705434 ORQJQOPEOREUCR-UHFFFAOYSA-N 361.441 4.831 0 40 FJAB COc1ccc(Cl)cc1[C@@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21 538646 ULYONBAOIMCNEH-OAHLLOKOSA-N 359.706 4.533 0 40 FJAB in-man O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccc(F)cc1 805800 NBIXWPBFQFXMQZ-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 851421 JVRNAJLBRRUZOM-UHFFFAOYSA-N 367.832 4.937 0 40 FJAB O=C(Nc1cccc2ccccc12)c1ccccc1I 1087290 WZRHFSWGOJMZEY-UHFFFAOYSA-N 373.193 4.697 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 3217014 XADCPJYMXGDKON-UHFFFAOYSA-N 367.426 4.969 0 40 FJAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CCCc2ccccc21 3415678 MIEISRUUBZNCCM-CZUORRHYSA-N 368.527 4.971 0 40 FJAB CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 4025210 QVUYSGSVKPEWPJ-UHFFFAOYSA-N 361.873 4.845 0 40 FJAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(N(C)C)cc3)n2)c1 4059051 XXYAWCXOOGIQRO-UHFFFAOYSA-N 351.475 4.745 0 40 FJAB c1nc2sc3c(c2c2nc(C45CC6CC(CC(C6)C4)C5)nn12)CCCC3 4753807 VMYLJQRQLPDYFP-UHFFFAOYSA-N 364.518 4.686 0 40 FJAB C/C1=C\[C@H](O)[C@@H](C(C)C)[C@H](OCC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 5638785 HDAGALPNSCGMSL-GBYSYFRZSA-N 372.505 4.670 0 40 FJAB Cc1cc(C)cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 6832935 HEZQFCJBPVUITR-JOCHJYFZSA-N 372.468 4.803 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)OCc1csc(-c2ccc(F)cc2)n1 7778702 AMEOIIHVSSTQMV-UHFFFAOYSA-N 366.417 4.716 0 40 FJAB O=C(CSc1ccc2ccccc2c1)Nc1ccc2c(c1)OCCCO2 8074147 HCNQYILCRISPTL-UHFFFAOYSA-N 365.454 4.732 0 40 FJAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)C2CC2)cc1 8129315 UXUKUOSVWSTMMB-HNNXBMFYSA-N 363.436 4.515 0 40 FJAB CCN(c1ncnc2c1cnn2-c1cccc(Cl)c1)C1CCCCC1 8583058 YQSMVXKPKLGADG-UHFFFAOYSA-N 355.873 4.628 0 40 FJAB O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 10218113 DESAEAOWGCWULU-UHFFFAOYSA-N 373.478 4.855 0 40 FJAB Cc1cccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1C 10289166 FSTDOPUEORGMFF-OAQYLSRUSA-N 369.461 4.789 0 40 FJAB c1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 11308584 OZFMSTNNIBHSGV-UHFFFAOYSA-N 374.469 4.500 0 40 FJAB CN1c2ccccc2C(C)(C)[C@]12CC(c1cccc(Br)c1)=NO2 12618219 YLWWYSMUUAEQBB-LJQANCHMSA-N 371.278 4.697 0 40 FJAB Cc1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)no1 12683599 XEEFTUDJLPBWMS-UHFFFAOYSA-N 360.442 4.794 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccn1 12786711 PMNHHDDDRXSDMQ-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB C[C@@H](CCc1ccco1)NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12865737 ORYWHTWXSGORLG-RPKIBTFVSA-N 371.521 4.505 0 40 FJAB biogenic C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1Cl 12912534 FNQHRFUMLXYCRV-NSHDSACASA-N 362.907 4.945 0 40 FJAB COc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCC3)n2)cc1 12941533 ATUINNQIUJVYNC-UHFFFAOYSA-N 364.470 4.879 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccco4)nc32)c(C)c1 15842340 UPGPCAYFRXWINF-UHFFFAOYSA-N 357.417 4.562 0 40 FJAB COC(=O)c1c(CSc2ccc(OC)cc2)nc2ccccc2c1C 17952742 PUOWLWLGTVOJIC-UHFFFAOYSA-N 353.443 4.631 0 40 FJAB O=C(Cc1noc2ccccc12)NCCC(c1ccccc1)c1ccccc1 19200053 HWLYRYOQNCNXKX-UHFFFAOYSA-N 370.452 4.709 0 40 FJAB Cc1ccc(NC(=O)c2ccc3c(c2)c(C)cn3C)c(-c2cc(C)n[nH]2)c1 19714307 LFVHBUFFHFKBCX-UHFFFAOYSA-N 358.445 4.746 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20141221 PUKZSQIMQPSZSH-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1Br 22534772 UGIBGIRDYPWUPD-INIZCTEOSA-N 362.267 4.862 0 40 FJAB Cc1cccc(-c2nnc([C@H](C)OC(=O)c3c(C)cc(C)cc3C)o2)c1 22886022 KWPJZMLZVKCYSS-INIZCTEOSA-N 350.418 4.888 0 40 FJAB C[C@@H](NC(=O)CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 24211833 DUAFBVFLQKCZAP-CQSZACIVSA-N 361.470 4.686 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)OCc1ccc(Cl)nc1 25571469 SDGMETZKXHVVTL-UHFFFAOYSA-N 353.805 4.524 0 40 FJAB Cc1cc(Br)cn2cc(-c3cccc(Br)c3)nc12 32647083 FRENHLKTDWYKAY-UHFFFAOYSA-N 366.056 4.835 0 40 FJAB CC[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C(F)F)c1ccccc1 40052476 LEMLIFBHBRQFAV-OAHLLOKOSA-N 357.404 4.584 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)/C=C/c3ccco3)ccc1O2 49508429 YDLHEBZQDJWLJB-JXMROGBWSA-N 374.396 4.622 0 40 FJAB CC1CCC(NC(=O)CSCc2ccc(OC(F)(F)F)cc2)CC1 58006854 MZBNHQWBYWOALK-UHFFFAOYSA-N 361.429 4.513 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2cccs2)no1 58093963 JJOOBFVDCPKQLR-UHFFFAOYSA-N 355.463 4.801 0 40 FJAB O=C([C@@H]1Cc2ccccc2S1)N(Cc1ccco1)c1cccc(F)c1 58365874 AJZHYUKAWLCPCJ-IBGZPJMESA-N 353.418 4.669 0 40 FJAB CCCCCn1c(SCc2ccc(OC)cc2)nc2ccccc2c1=O 67259005 CVNZYOZSQQLMLM-UHFFFAOYSA-N 368.502 4.888 0 40 FJAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c1 67296197 RTTXKGFMCLJNPP-GYHWCHFESA-N 355.397 4.621 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl 72229067 AQLQDMGGMUHJIO-UHFFFAOYSA-N 357.885 4.719 0 40 FJAB Cc1cc([C@H](C)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)o1 84081665 WEIMQAIFMOBVHJ-ZDUSSCGKSA-N 363.383 4.952 0 40 FJAB O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(Cl)ccc2c1Cl 85345105 HUTYJGIYLUZVHB-UHFFFAOYSA-N 374.195 4.653 0 40 FJAB CC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 100016592 VINIGKDXHQXFGW-NXQKYAITSA-N 361.441 4.884 0 40 FJAB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3nc(C)nn32)cc1 102667626 GGYIQQQKKPGHEG-FOIQADDNSA-N 360.417 4.553 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222967697 LSIOOKBAQNLQPL-HUUCEWRRSA-N 357.881 4.864 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222968113 FJBYGBJIZWIMQR-IAGOWNOFSA-N 351.490 4.773 0 40 FJAB COc1cc(C)c(C(=O)NCCOc2cccc(C)c2C)cc1C(C)C 223973888 UJIJVVUSSCMZIJ-UHFFFAOYSA-N 355.478 4.553 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224935653 CYULQAPEESOPLS-OAQYLSRUSA-N 352.478 4.700 0 40 FJAB CC[C@@H]1N=C(c2cccc(F)c2)c2cccn2-c2cc3c(cc21)OCCO3 225375616 TWVIZXJZWTXQCH-KRWDZBQOSA-N 362.404 4.690 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3OC(C)C)s2)cc1 225392274 WQLUBMOJNFDVPM-UHFFFAOYSA-N 353.447 4.553 0 40 FJAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225596950 DAXQZTJSXTZCFM-QZTJIDSGSA-N 358.526 4.562 0 40 FJAB CCOc1cc(CNC(=S)Nc2ccc(C(C)C)cc2)ccc1OC 225769999 JIQZVZBHKDKNFU-UHFFFAOYSA-N 358.507 4.704 0 40 FJAB COc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 226286778 FFIQLHTYDRNSIN-UHFFFAOYSA-N 356.381 4.664 0 40 FJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(OC[C@H]2CCCO2)nc1 253473523 VSXNAAOXZFYFCB-LJQANCHMSA-N 374.440 4.559 0 40 FJAB Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 272426340 IHMSENBBUDCDKT-VIFPVBQESA-N 358.392 4.514 0 40 FJAB Cc1nnc(-c2ccccc2C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)o1 333365969 VHZFMGNETPAMAZ-SFHVURJKSA-N 361.445 4.835 0 40 FJAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Cl)c1 408846772 YZGDYFSNCDNNGM-XSFVSMFZSA-N 373.843 4.878 0 40 FJAB Cc1nscc1C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 511894463 CAYRYZWHIBGGMY-GFCCVEGCSA-N 356.422 4.874 0 40 FJAB Brc1cccc(CCCNCc2ccc3ncccc3c2)c1 595626791 SAQCUAZYQNYQKE-UHFFFAOYSA-N 355.279 4.720 0 40 FJAB Clc1ccc(Cc2nc(CN3CCO[C@@H]4CCCC[C@@H]43)cs2)cc1 613449397 IVZPOUBWTDCOEK-ZWKOTPCHSA-N 362.926 4.531 0 40 FJAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)no2)cc1 1775977087 VZLGEFYTDQUNAY-WCQYABFASA-N 366.248 4.575 0 40 FJAB CC(C)CC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 724393 FPVRLWKERGYNKY-UHFFFAOYSA-N 362.882 4.991 0 40 FJAB COc1ccccc1[C@H](CCNC[C@@H]1CCOC(C)(C)C1)c1ccco1 2126692 ZJRAJVFUDNLVDK-MJGOQNOKSA-N 357.494 4.605 0 40 FJAB biogenic Fc1cccc(Cl)c1[C@H]1C=C(c2ccc(Cl)cc2)N=C2NN=NN21 2214845 SLFPCZJQOSJYPB-CQSZACIVSA-N 362.195 4.772 0 40 FJAB CCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@](C)(O)CC1(C)C 2227915 PWIQDIFRODNVFE-KRWDZBQOSA-N 359.297 4.913 0 40 FJAB CC(C)CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 2635268 SEZBFRDULHONPI-UHFFFAOYSA-N 366.486 4.873 0 40 FJAB Cc1noc(C)c1CSc1nnc(-c2cccs2)n1-c1ccccc1 3352932 VUOHRHJBPADBOT-UHFFFAOYSA-N 368.487 4.893 0 40 FJAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccccc1 4043353 WFVRRNHPBFMGGB-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB Cc1ccnc(N(C(=O)/C=C/c2ccccc2)C(=O)/C=C/c2ccccc2)c1 4687717 QRSIXMMOOVIGSP-QUMQEAAQSA-N 368.436 4.676 0 40 FJAB CC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5654405 RHMOWVSXBODSHB-UHFFFAOYSA-N 371.742 4.579 0 40 FJAB COc1ccc2c(c1)[nH]c1c(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)ncnc12 6393067 WHCODBIWLXPJFS-LRTDBIEQSA-N 350.466 4.525 0 40 FJAB COCCCNCC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 6758249 CSNJQYPQMKIACA-MJGOQNOKSA-N 367.961 4.720 0 40 FJAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 6819385 JUQCJRHLDOAHBH-GOSISDBHSA-N 359.425 4.593 0 40 FJAB O=C(CSc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 6850972 FMTAJKRZSJOOOR-UHFFFAOYSA-N 351.393 4.777 0 40 FJAB C[C@@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1cccs1 7183084 DDGBLLCSPSQWQW-OAHLLOKOSA-N 352.459 4.748 0 40 FJAB COc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)cc1OC 7401831 UEOKMPUBFOVGEQ-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1ccc(NC(=O)c2sc(=S)n(-c3cccc(C)c3)c2N)cc1 7499932 KUQUWBZHRYFNIO-UHFFFAOYSA-N 355.488 4.720 0 40 FJAB C[C@H]1CCc2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)sc2C1 8270546 XXFKLAXNMXELDB-VIFPVBQESA-N 355.385 4.931 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2 8750078 KBTNVNIEPJHVFE-XXAPSYRMSA-N 366.549 4.617 0 40 FJAB CC1(C)Cc2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)ccc2O1 10299003 GMIKWMZXQZJXLE-DHDCSXOGSA-N 352.821 4.599 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 11915038 KKDRIGKKTVGSGD-UHFFFAOYSA-N 366.848 4.981 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)NCc1coc(-c2cccs2)n1 12783446 PMEIVIFDQVFEKS-UHFFFAOYSA-N 367.257 4.569 0 40 FJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3)C[C@@H]21 13036363 RDJURAGCWKLQLE-PGRDOPGGSA-N 360.413 4.921 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13674192 ZSMUXPMZUWZPFU-FCONWMNKSA-N 367.489 4.892 0 40 FJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1F 18944925 AFKRTNKSPDFGPI-UHFFFAOYSA-N 351.853 4.520 0 40 FJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CC(C)C)CC2)n1 19691173 SNOGGNVWQUBXKP-UHFFFAOYSA-N 354.469 4.948 0 40 FJAB CCc1cccc(C)c1NC(=O)c1c2c(nc3ccccc13)CCN(CC)C2 23881741 FYIXKQZGSLYTHM-UHFFFAOYSA-N 373.500 4.736 0 40 FJAB Cc1ccc(CNC(=O)c2ccccc2SCc2cscn2)cc1 24987013 ZELDBCVDLQMXHT-UHFFFAOYSA-N 354.500 4.674 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)oc2c1C(=O)CC(C)(C)C2 32932583 SGWUXYIUGBCSIX-IUODEOHRSA-N 369.461 4.732 0 40 FJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1ccccc1Cl 33318188 WZABBERTHXBJBY-DHDCSXOGSA-N 362.813 4.585 0 40 FJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc2ccccc12 33709469 SFJREJVBJFPIRW-GOSISDBHSA-N 350.443 4.608 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)NCC3(c4ccccc4)CCCC3)cc2)n1 36398102 UXYWQVCWOSEBDZ-UHFFFAOYSA-N 373.500 4.731 0 40 FJAB COCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 41294425 QVPOYVCXDVBILE-UHFFFAOYSA-N 359.882 4.537 0 40 FJAB Cc1cccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)c1 45932678 OVAVNRJUKWYAQF-UHFFFAOYSA-N 362.498 4.928 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)N(C)CC3CCCCC3)cs2)cc1 78265868 IDXXUWVNTRWPBF-UHFFFAOYSA-N 372.534 4.612 0 40 FJAB CCc1ccc(C(=O)[C@H](C)Sc2nc(O)c3ccc(Cl)cc3n2)cc1 83823529 IURMNIGAFCPULN-NSHDSACASA-N 372.877 4.915 0 40 FJAB CC(C)[C@H](NC(=O)N1CCc2[nH]c3ccccc3c2C1)c1cccs1 84456444 SGYQSAFNCFKLAY-IBGZPJMESA-N 353.491 4.694 0 40 FJAB Cc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 102581113 FQKAYBVQTSJLTK-UTKZUKDTSA-N 356.429 4.652 0 40 FJAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)cc1C 108007025 PQARGDMJGMSJST-UHFFFAOYSA-N 358.869 4.575 0 40 FJAB CCOc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 219003907 YEZGTQYMEYGMNT-UHFFFAOYSA-N 359.469 4.801 0 40 FJAB O=C(CCc1cccc2ccccc12)NCCOc1ccc(Cl)cc1 224939217 UNOIFENOUUMJLM-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB COc1ccccc1CN(C)C(=O)CCc1c(Cl)cccc1Cl 225356643 HHUZZKCMYXGYKJ-UHFFFAOYSA-N 352.261 4.593 0 40 FJAB CC(C)Sc1nnc(NC(=O)/C(=C/c2ccco2)c2ccccc2)s1 225771614 GOICXFACRRQPOY-RVDMUPIBSA-N 371.487 4.811 0 40 FJAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 226267381 ZWEBPYVMJCTXND-MRXNPFEDSA-N 367.493 4.687 0 40 FJAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2cccc3cccc1c23 408545617 LQBNLMWSWAIMBJ-HNNXBMFYSA-N 366.420 4.980 0 40 FJAB CCOC(=O)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408988152 HFGGGCWLIYDYHF-UHFFFAOYSA-N 368.458 4.510 0 40 FJAB O=S(=O)(NCc1ccc(-c2cccs2)o1)c1cccc2ccccc12 575609552 YDFVNKQHGXCTMI-UHFFFAOYSA-N 369.467 4.640 0 40 FJAB OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@@H]1CN2CCC1CC2 717123 LLAWTBLIBJUONA-LJQANCHMSA-N 362.300 4.571 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(OC(=O)/C=C/c2ccccc2)cc1 1016998 VLIPTTLEOGCATN-JYFOCSDGSA-N 369.420 4.957 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 1065055 KFQUJMJPSRXFBR-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB Cc1sc(NC(=O)c2ccc(Br)o2)nc1-c1ccccc1 1284939 SVKOUEHERKQAJC-UHFFFAOYSA-N 363.236 4.726 0 40 FJAB Cc1cc(C)cc(Oc2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)c1 1387807 VIIGMSDRSSCJOG-UHFFFAOYSA-N 367.470 4.870 0 40 FJAB CCn1c(SC)nnc1-c1cnn(-c2ccccc2)c1-c1ccccc1 1390122 YQSUJKKOTUVRIS-UHFFFAOYSA-N 361.474 4.540 0 40 FJAB O=C(c1cccc(CN2CCSCC2)c1)c1ccc(Cl)c(Cl)c1 2515309 WKTBYZRWYYNFLO-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccccc3C)n2)c1 2917498 LSSWMZBBYSQCEM-UHFFFAOYSA-N 355.488 4.553 0 40 FJAB CCCCc1ccc(NC(=O)C(=O)Nc2ccc(CCCC)cc2)cc1 3067887 PDJMNLHLSLMRHF-UHFFFAOYSA-N 352.478 4.949 0 40 FJAB Cc1cccc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCCO4)n12 3911535 OWPARMWBKIJYKY-UHFFFAOYSA-N 363.442 4.886 0 40 FJAB COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)cc1 4699949 VZMIFEAXKOQEQY-QHCPKHFHSA-N 370.452 4.995 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@H](c2sccc2C)n2c(nc3ccccc32)N1 4734719 WCKQTCVFRXYPJK-QGZVFWFLSA-N 367.474 4.647 0 40 FJAB CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 5861964 DAVOPYJGBIWKHK-UHFFFAOYSA-N 354.450 4.712 0 40 FJAB CCOc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 6936892 QFMAIWIYLWSGBS-UHFFFAOYSA-N 356.369 4.793 0 40 FJAB Cn1ccs/c1=N\C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 7780490 HMRIOJGJRJAUFM-ZZEZOPTASA-N 374.918 4.773 0 40 FJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 8498219 RZTHYHXCESUMPC-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB O=C(OC[C@@H]1CCCO1)c1ccc(COc2cccc3ccccc23)cc1 9425565 IMBJJHLYPNFDQA-FQEVSTJZSA-N 362.425 4.755 0 40 FJAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccccc1Oc1ccccc1 14794930 BRJNGVNSBUUPJG-UHFFFAOYSA-N 358.353 4.748 0 40 FJAB Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 15516908 LKPXKSJEWXMCIW-NRFANRHFSA-N 372.534 4.599 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(OCc2cscn2)c1 16230363 SDOPFGVIEZSXNC-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB COc1cccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c1OC 19240248 HBALXEQLZHSYAY-MRXNPFEDSA-N 374.531 4.604 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 20040612 MTEDPLPTBULJTI-CQSZACIVSA-N 368.658 4.899 0 40 FJAB Cc1ccc(CSCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 21872809 NCGODQCTTUOODW-UHFFFAOYSA-N 353.409 4.563 0 40 FJAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1F 25036245 CYTCCVGHXNWOAT-NRFANRHFSA-N 359.404 4.530 0 40 FJAB Cn1ccnc1[C@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1F 25073429 SPOOWKHVYDRNQD-HXUWFJFHSA-N 374.419 4.624 0 40 FJAB O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCC(c2ccccc2)CC1 32786950 YUNBDLLCXWVZJM-UHFFFAOYSA-N 350.245 4.719 0 40 FJAB CCc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 32935061 JHDVMMRMCYLMTD-IBGZPJMESA-N 371.278 4.709 0 40 FJAB COc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1OC 36616082 OEQOOCHIPJCPQP-UHFFFAOYSA-N 361.392 4.942 0 40 FJAB CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38834283 FERWOKBIOOTKRM-KRWDZBQOSA-N 372.896 4.589 0 40 FJAB COc1ccc(-c2nc(CN3CCC[C@H]3c3cccc(OC)c3)co2)cc1 42760183 NNAUSMDQDZRDLV-NRFANRHFSA-N 364.445 4.696 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44933358 SDFFYIOXHPJVSZ-YLJYHZDGSA-N 370.924 4.738 0 40 FJAB O=C(OCc1coc(-c2ccccc2)n1)C1(c2ccc(F)cc2)CCC1 48237891 VXFSMHIZDZPZLX-UHFFFAOYSA-N 351.377 4.646 0 40 FJAB S=c1n(CN2CCCC2)nc(-c2ccccc2Cl)n1-c1ccccc1 59474389 CWEOUDNURVUDHG-UHFFFAOYSA-N 370.909 4.777 0 40 FJAB OC1=Nc2ccsc2[C@H](c2cc(Cl)cc3c2OCOC3)SC1 71283584 FKHUSSJLZNGWQU-AWEZNQCLSA-N 353.852 4.692 0 40 FJAB Cc1ccc2cc(CNc3ccc(N4CCCCCC4)cc3)c(=O)[nH]c2c1 72396137 OOVSTHBIPBTBMU-UHFFFAOYSA-N 361.489 4.829 0 40 FJAB CCC[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1OC 76555453 ONRILTNIRHMIAT-IBGZPJMESA-N 368.477 4.738 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cc1 77271989 GWEMPORFCXPFPI-AWEZNQCLSA-N 373.884 4.783 0 40 FJAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 84235389 FMAUFLZCNHINFW-HZEGPAAWSA-N 367.489 4.586 0 40 FJAB Cc1cccc(C)c1N1C(=S)N[C@H]2C[C@@]1(C)Oc1c(Cl)cccc12 101170182 BEHMPDPUVFKUJY-HNAYVOBHSA-N 358.894 4.891 0 40 FJAB CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(C(F)(F)F)cc3)C2=C(O)C1 104004734 IDTLRXKCPSKOFL-OAHLLOKOSA-N 362.355 4.605 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 113951939 JRJDVYHVZGLOQB-OALUTQOASA-N 361.869 4.774 0 40 FJAB COc1cc(CNc2ncnc3ccccc23)ccc1OCc1ccccc1 170596910 CVGHKNDMZAPWHR-UHFFFAOYSA-N 371.440 4.830 0 40 FJAB O=C(Cc1ccccc1F)N1CCS[C@H](c2ccccc2Cl)CC1 206995882 GBWMGMPJNUBMNM-SFHVURJKSA-N 363.885 4.728 0 40 FJAB Cc1cccc(CN2CCC(C(=O)NCc3cccc4ccccc34)CC2)c1 222875889 HRZWQWVZOWFTBD-UHFFFAOYSA-N 372.512 4.677 0 40 FJAB Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222904369 YSMHSPGIAIQFQX-QGZVFWFLSA-N 353.531 4.984 0 40 FJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSC1CCCC1 224932384 ILUXEOCSSHNFEA-KRWDZBQOSA-N 355.931 4.598 0 40 FJAB COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc(Cl)cc1)CC2=O 225380337 AMSSKMQYIKROLP-HNNXBMFYSA-N 367.832 4.866 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1C 225793506 JOQFRRTUVFZIFO-UHFFFAOYSA-N 351.837 4.590 0 40 FJAB CC(C)c1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225799195 TUGXYRVHOIVRSR-UHFFFAOYSA-N 353.397 4.570 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)c2ccccc2O1 225810597 CGQOANFHXBWJCH-PXNSSMCTSA-N 367.489 4.961 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225859417 NNONTMAVXSSBMT-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1 225864529 KNKOKXWTFQRRHK-UHFFFAOYSA-N 368.477 4.720 0 40 FJAB Cc1cc(N)cc(Cl)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 227145578 XFHPVPNNSPSPHZ-UHFFFAOYSA-N 353.249 4.680 0 40 FJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(C(=O)O)o2)n1 408551258 GZYWVMGNXLBASX-UHFFFAOYSA-N 360.822 4.689 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(F)c2)cc1 408679256 VQPAQQSSMDGZQV-UHFFFAOYSA-N 372.399 4.875 0 40 FJAB C[C@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc2n(n1)CCCC2 647298280 UDPLJMJLFIPHNF-INIZCTEOSA-N 361.493 4.592 0 40 FJAB O=C(O[C@H]1CCc2ccccc2[C@@H]1OC(=O)c1ccccc1)c1ccccc1 712540 MLIXBYKGYZTPME-VXKWHMMOSA-N 372.420 4.757 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc1 1103130 YVLZTPARRPNMJG-UHFFFAOYSA-N 370.408 4.868 0 40 FJAB CC[C@@]1(C)C[C@@](CCN(Cc2ccco2)C(C)=O)(c2ccccc2)CCO1 1130544 UQORBKYGADPLOB-GOTSBHOMSA-N 369.505 4.935 0 40 FJAB biogenic CCCCc1c(C)nc2c(Br)cccc2c1SCC(=O)O 1867280 HZHSOMOVVULWDV-UHFFFAOYSA-N 368.296 4.825 0 40 FJAB COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc1O 2691571 GNCVGSKDSPSQOF-UHFFFAOYSA-N 352.415 4.525 0 40 FJAB Cc1ccccc1NC(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 2806310 AEQSFYUORYNVEY-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB COc1ccc(OC)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 3377138 SEJNUMJDSDHRMY-UHFFFAOYSA-N 356.369 4.532 0 40 FJAB O=C1CCC[C@@H]1Sc1nnc(Cc2cccs2)n1C1CCCCC1 3561454 DJDODPYITUOCJD-INIZCTEOSA-N 361.536 4.649 0 40 FJAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@@H](C)C(=O)O)CCCC3 4151980 JRQQLKKJCGKFDO-AWEZNQCLSA-N 372.461 4.647 0 40 FJAB CCCC[C@H](CC)C(=O)N1C[C@H](C)N(C(=O)[C@H](CC)CCCC)C[C@H]1C 4614269 GQHUPNLGVONPND-JVSBHGNQSA-N 366.590 4.867 0 40 FJAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)C2CC2)c2ccccc2)C[C@H]1C 4988697 YHQOCNJBYYNROU-IIBYNOLFSA-N 362.473 4.706 0 40 FJAB Cc1cccc(NC(=S)Nc2[nH]nc(C)c2-c2ccc(F)cc2)c1C 5626120 CIMXRNMQVWOHQL-UHFFFAOYSA-N 354.454 4.950 0 40 FJAB Cc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)nc(C)c1C 5938404 UIRBYEXISPQOBA-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1c(F)cccc1F 6306491 SUSXAHQTYDNMSO-UHFFFAOYSA-N 351.396 4.917 0 40 FJAB Cc1ccc(CSCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6372730 KEQNPIWCZUEIDO-UHFFFAOYSA-N 355.381 4.766 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 6852152 RKFQKGZTSXLKOC-ZDUSSCGKSA-N 356.878 4.883 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1Cl 8480481 UQGBGSGYITWENA-CQSZACIVSA-N 354.233 4.798 0 40 FJAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(OC)c1OC 8534506 DQHMYRKDBMXMAP-NJMHRBNOSA-N 359.510 4.551 0 40 FJAB CCN(C(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccccc1 8723185 FZXOWVNJVGESHK-UHFFFAOYSA-N 361.441 4.811 0 40 FJAB C[C@@H](Cc1nnc(NC(=O)CSc2ccccc2)s1)c1ccccc1 9095471 MOPCQBCKZCRCTF-AWEZNQCLSA-N 369.515 4.615 0 40 FJAB Cc1cc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c(C)c1 11052559 MHPFYYCSNUGQQV-AWEZNQCLSA-N 351.446 4.628 0 40 FJAB Cc1scc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c1C 12188231 VURXZICRAXEMKF-GOSISDBHSA-N 350.487 4.933 0 40 FJAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc(F)c(F)c1F 12422206 ZFSGAHFGEKIISW-UHFFFAOYSA-N 366.726 4.594 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Cl)cc2)cs1 12614549 SQLWLUKHWCKXDJ-UHFFFAOYSA-N 360.841 4.841 0 40 FJAB Cc1cc2nnc(Sc3ccc(C(F)(F)F)cn3)n2c2ccccc12 12970722 LVACXTQJGSBUNS-UHFFFAOYSA-N 360.364 4.756 0 40 FJAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4cccnc4)ccc3c2C)cc1 15729337 PUSWMMAFFIDMBQ-UHFFFAOYSA-N 370.408 4.928 0 40 FJAB biogenic COc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 17206652 LFBPXWXKNNGRST-UHFFFAOYSA-N 374.291 4.753 0 40 FJAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(Cl)cc1Cl 22776741 AXJOWSISVBDEQB-NSHDSACASA-N 370.276 4.870 0 40 FJAB CCN(C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12)c1ccccc1 25720335 SCKYEGKOAFNUDI-UHFFFAOYSA-N 351.299 4.964 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 27246649 XBCJBEDOSCMNNA-NTUHNPAUSA-N 359.425 4.608 0 40 FJAB CCCOc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 27994567 JNNMOLMPOPYDPO-UHFFFAOYSA-N 366.486 4.571 0 40 FJAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1Cl 29482948 DICBQRJOAHGLJV-MRXNPFEDSA-N 363.288 4.860 0 40 FJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 30754572 IXXPICALWNHLEH-SFHVURJKSA-N 371.546 4.935 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Br)c1 30756205 WXCZLTALJYUBAL-INIZCTEOSA-N 362.267 4.862 0 40 FJAB O=C(CSc1ccccc1Cl)Nc1nc(C(F)(F)F)cs1 31511453 HWTUEAZLJPKKID-UHFFFAOYSA-N 352.790 4.546 0 40 FJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(Cl)c2)c1 36360314 DSHUOWMRBRSEHX-MRXNPFEDSA-N 353.809 4.658 0 40 FJAB Cc1cc(=O)oc2c(C)c3occ(-c4ccc5c(c4)OCCCO5)c3cc12 36369885 DRSUSHJGGMHTET-UHFFFAOYSA-N 362.381 4.984 0 40 FJAB biogenic Cc1nc(-c2ccccc2)sc1C(=O)NCCc1cccc2cccnc12 39540078 XDXVNBWSEHTDSN-UHFFFAOYSA-N 373.481 4.639 0 40 FJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(F)c(Cl)c1 39968778 APAOJCKAKNLWPU-KRWDZBQOSA-N 364.873 4.852 0 40 FJAB C/C1=C/CC[C@@](C)(O)/C=C\[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 43735998 AVRRAMZPNSQDIW-SCLBVPKCSA-N 358.478 4.627 0 40 FJAB CCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2C1 54313695 CEMVITDWAGFOJU-UHFFFAOYSA-N 369.848 4.984 0 40 FJAB biogenic O=C(NCc1nc2ccccc2s1)Nc1ccccc1OC(F)(F)F 57991598 FWBPQQLWMOJGPB-UHFFFAOYSA-N 367.352 4.517 0 40 FJAB C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc2ccccc12 58149314 HJOPRBMEJUOYGO-GFCCVEGCSA-N 358.363 4.546 0 40 FJAB Cn1c(CCc2nc3cc(Cl)ccc3n2C)nc2cc(Cl)ccc21 64864684 AKVHXQMJRDJVCY-UHFFFAOYSA-N 359.260 4.552 0 40 FJAB COc1ccc(Cc2ccc(F)cc2)cc1-c1nnc(-c2cccnc2)o1 66088562 RBJMFOFZUSBZGD-UHFFFAOYSA-N 361.376 4.537 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)[C@@H]1CCCO1 66283075 TVUQQHVOKQKEMK-INIZCTEOSA-N 351.324 4.615 0 40 FJAB c1coc(Cn2cnnc2SCc2csc(C3CCCCC3)n2)c1 69949406 ROAIRMFIWHNPBQ-UHFFFAOYSA-N 360.508 4.716 0 40 FJAB CCOc1ccc(C(=O)N(CCc2cccs2)Cc2ccoc2)cc1 90612323 DKRPPMHTVWMPCF-UHFFFAOYSA-N 355.459 4.625 0 40 FJAB COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c1 102727438 KGYNSXVGMBWXQR-GOSISDBHSA-N 368.433 4.850 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2SC)cc1OC 216495146 UQHFDPZRLHZNIU-GFCCVEGCSA-N 363.504 4.545 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC(C)C)c3)N21 222663631 LIIIYVMWBZEOHR-PWIZWCRZSA-N 367.518 4.848 0 40 FJAB CC(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223662822 JBTITKWUTRYQRB-UHFFFAOYSA-N 359.491 4.714 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224295870 ZCLDXXPVALFXOH-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CC(C)CNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 224667428 HTDPYFSLZLTBSK-UHFFFAOYSA-N 364.489 4.523 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3F)o2)cc1 224858237 JXXJTOLAKPYDOU-UHFFFAOYSA-N 372.371 4.590 0 40 FJAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225163382 FDXYFJZXXFMFHX-SFHVURJKSA-N 369.505 4.643 0 40 FJAB Brc1ccccc1-c1noc(-c2c[nH]nc2-c2ccccc2)n1 225545091 REMXLEMXTHAXJD-UHFFFAOYSA-N 367.206 4.556 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 225861476 SEPVUILQSRVTDX-UHFFFAOYSA-N 356.441 4.850 0 40 FJAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(-c4csc(C)n4)c3)n2c1 226096399 WDZDGBSZZQTPGM-UHFFFAOYSA-N 362.458 4.635 0 40 FJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1C(C)C 260772128 MLYAJRIGQZEAAA-MDASCCDHSA-N 354.523 4.670 0 40 FJAB O=C(c1cccc2ccccc12)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408609864 PFEMAEAEHPLAJH-JOCHJYFZSA-N 370.496 4.503 0 40 FJAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]21 408760521 ADCCDWLRVBCYHO-WKDRNLAYSA-N 355.437 4.611 0 40 FJAB Cc1ccc(-c2nn(CC(=O)Nc3cc(Cl)ccc3C)c(=S)o2)cc1 409158984 YQVBHMGMGSWXFF-UHFFFAOYSA-N 373.865 4.782 0 40 FJAB CC(=O)Nc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409302774 KHIQWRIAQZHLQH-MHWRWJLKSA-N 372.833 4.539 0 40 FJAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccccc2)c1 842312 JCEXNYJYSCETNN-KGENOOAVSA-N 373.383 4.749 0 40 FJAB C[C@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)n2ncnc2N1 2633327 YZSISDZOONXRCC-GOSISDBHSA-N 357.244 4.815 0 40 FJAB Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1Br 2649860 BNASWCRSGVGVGY-UHFFFAOYSA-N 356.166 4.611 0 40 FJAB COc1ccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1OC 4331025 OFJCCNXASJWUOR-UHFFFAOYSA-N 362.838 4.528 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3c(Cl)cccc3Cl)no2)cc1 4880704 VXXMNTQXVRHGPM-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB COc1cccc(-c2cc(C(=O)Nc3c(Cl)cccc3Cl)no2)c1 4880777 MHZPGCPDLWDIAM-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1Cl 5593099 LVDKRWROZPSDOF-UHFFFAOYSA-N 369.273 4.519 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2ccccc2oc1=O 5777185 FYAJOQATIMHSJO-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1 5828786 BGGMXNYLBWPMLP-UHFFFAOYSA-N 366.363 4.595 0 40 FJAB COc1ccc(C(=O)COc2ccc(-c3ccc(C)cc3)cc2)cc1OC 6509444 FSOYMJJZTWDHBX-UHFFFAOYSA-N 362.425 4.941 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1c1ccccc1 7128433 FFNPUQNSVBPQMP-JOCHJYFZSA-N 366.424 4.643 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCc2nc(-c3ccsc3)no2)n1 7417585 SKIIXXDTKOBUFI-UHFFFAOYSA-N 366.471 4.856 0 40 FJAB CC(C)c1ccccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 7843004 PWHWQJQWPFOCSA-UHFFFAOYSA-N 353.340 4.726 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1C 8041300 CBHHOULMPONRBN-CQSZACIVSA-N 362.267 4.780 0 40 FJAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 8519052 LTOFBNOWLJQZCA-LBPRGKRZSA-N 371.820 4.545 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3nccnc23)cc1C 9074641 IKMJFAGBHAEFGA-UHFFFAOYSA-N 360.396 4.663 0 40 FJAB Cc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 9196640 NYXLDAUMITVXDB-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB Cc1ccc(NC(=O)c2sc(COc3cccc(C)c3)nc2C)cc1 9251006 VHXKVKQMKLMSRH-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccc(OC)c(Cl)c2)c1 10166022 IAOHTDFLDAYNLJ-UHFFFAOYSA-N 373.840 4.588 0 40 FJAB Cc1cc(C)cc(-n2ccnc2SCc2cc(F)cc3c2OCOC3)c1 10271319 MSPGQPARPMDOFF-UHFFFAOYSA-N 370.449 4.787 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10370999 PKCBFQWKFBDITM-UHFFFAOYSA-N 353.462 4.732 0 40 FJAB O=C(CSCc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 10590981 PVRRGIANRXERGL-UHFFFAOYSA-N 366.511 4.781 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCCOC1CCCCC1 11356253 VLAILAWEPMUPSV-UHFFFAOYSA-N 352.478 4.526 0 40 FJAB Cc1ccccc1[C@@H](NC(=O)c1[nH]c2ccccc2c1C)c1ccncc1 12148508 SHUVHSLXFPMDGE-QFIPXVFZSA-N 355.441 4.699 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)s1 12807149 HQMFJJUHEIOBKL-UHFFFAOYSA-N 371.487 4.845 0 40 FJAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12999359 MRIGYTQWMGACFG-SXSDINLZSA-N 352.434 4.812 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 13674050 YFGAKUOTCFTJCN-QGZVFWFLSA-N 359.535 4.949 0 40 FJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(Cl)c1 14004927 YHJYJSKUMUITSQ-UHFFFAOYSA-N 356.853 4.609 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1 14258101 BTHOAOFRYNDSQQ-UHFFFAOYSA-N 362.458 4.605 0 40 FJAB Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 15838597 BSAMGPOYXXHQQK-UHFFFAOYSA-N 356.219 4.686 0 40 FJAB Cc1ccc(-c2nnc([C@@H]3CCCN(CCCc4ccccc4)C3)o2)s1 19217594 HBBAPVCHBWCYKO-GOSISDBHSA-N 367.518 4.919 0 40 FJAB COc1ccc(CNCCCCOc2ccc(Cl)cc2Cl)cc1 19737649 SSDJXGKDJKZAIZ-UHFFFAOYSA-N 354.277 4.951 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(OC)ccc1OC 20047944 POOCNISGXJJRTC-IBGZPJMESA-N 365.429 4.653 0 40 FJAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccccc2Cl)no1 21122703 BFCIUDADBLJMJT-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2OC(F)F)cc1 22326364 PZLUZOYCDYTYIN-HGZMWJMZSA-N 373.399 4.674 0 40 FJAB CC(CNC(=O)C1(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 24977481 BLIIHNGMZACMAH-UHFFFAOYSA-N 355.481 4.841 0 40 FJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1 32904154 CNHNPMJNTFMSJE-UHFFFAOYSA-N 367.355 4.861 0 40 FJAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1C 38835183 WCXDSZABORURRW-SFHVURJKSA-N 356.897 4.808 0 40 FJAB O=C(COc1ccccc1C(F)(F)F)N1CCC[C@H]1c1cccs1 48333940 FLPDWJXGGZHSSI-ZDUSSCGKSA-N 355.381 4.509 0 40 FJAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCSCC1 58377290 GDXMYXCCLHRFCV-UHFFFAOYSA-N 368.889 4.744 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 61131887 IIJWOWVZVMVJPF-IBGZPJMESA-N 361.489 4.656 0 40 FJAB COc1cc(NC(=S)Nc2cccc(F)c2C)c(OC)cc1Cl 71326038 LFPSKVANBFXCMS-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB CC[C@H](Nc1ncnc2scc(-c3ccc(C)cc3)c12)c1nc(C)n[nH]1 72310998 PCVIZWPIVKODMK-HNNXBMFYSA-N 364.478 4.656 0 40 FJAB Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1Cl 84183064 KMIVEDSAKSESLX-UONOGXRCSA-N 368.786 4.914 0 40 FJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](C(C)C)CC(=O)O2 96115190 VBJSXOSPPSVCQX-AWEZNQCLSA-N 364.397 4.517 0 40 FJAB biogenic O=C(NCc1ccc(Cl)cc1)N1CCS[C@H](c2ccccc2)CC1 211144634 CPQXNGVDXXZPCK-SFHVURJKSA-N 360.910 4.730 0 40 FJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222942454 FNSYTWCNJRJJIV-WOJBJXKFSA-N 368.550 4.627 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225214272 USLMGFAJFRQVKU-IBGZPJMESA-N 369.505 4.698 0 40 FJAB Fc1ccccc1NC(=S)NCCSCc1ccccc1Cl 225295907 VUUMHAYXXOCTRO-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCC1(CC1)CO2 225365292 JQCFSXWQZBHYQJ-UHFFFAOYSA-N 364.228 4.797 0 40 FJAB CCOc1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225373418 GRLNOPRWVGSKCS-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB CCCNC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225485022 DUEAFODZIPCZBQ-UHFFFAOYSA-N 373.500 4.615 0 40 FJAB c1ccc(CN2CC[C@H](NCc3cccs3)[C@@H](c3ccccc3)C2)cc1 230026084 UXYJZCLJPYUZCM-PKTZIBPZSA-N 362.542 4.896 0 40 FJAB CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620243 LGBIYLIAAYHRBF-AWEZNQCLSA-N 368.864 4.747 0 40 FJAB COc1ccc(C2=NN3[C@H](c4ccc(O)cc4)Oc4ccccc4[C@H]3C2)cc1 868783 XGLGQKLBYJEKIX-GGAORHGYSA-N 372.424 4.643 0 40 FJAB COc1ccc(CCNc2nc(-c3ccc(F)cc3)cs2)cc1OC 1428239 HBGLDWZNLKBUSX-UHFFFAOYSA-N 358.438 4.621 0 40 FJAB Cc1ccc(OCCNC(=O)COc2ccc(C3CCCCC3)cc2)cc1 2185842 SJSOBQWXGAEENJ-UHFFFAOYSA-N 367.489 4.617 0 40 FJAB Cc1ccc(-c2nn(-c3nc4ccccc4s3)c(=O)c3ccccc23)cc1 3290375 YLSUMTNEVXAJPV-UHFFFAOYSA-N 369.449 4.971 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4Cc5onc(C)c5[C@@]4(C)CC[C@H]32)C1 4024851 FLJCISDPSGXWGJ-PEOWNTLRSA-N 369.505 4.891 0 40 FJAB COc1ccccc1[C@]1(CCNCc2ccco2)CCO[C@@H](C(C)C)C1 4043415 RRBSQXXIPSHAEE-FGZHOGPDSA-N 357.494 4.541 0 40 FJAB biogenic Fc1cccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)c1 4164729 PGFGRQIYYLTLHD-UHFFFAOYSA-N 368.481 4.653 0 40 FJAB O=C(CCSc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1 4496818 RMLMUYUPEGCIJA-UHFFFAOYSA-N 350.415 4.695 0 40 FJAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 4512985 YFISVYLHQXZMLS-UHFFFAOYSA-N 367.474 4.764 0 40 FJAB CCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OC 4812788 YLGDFPURZUOFAS-UYRXBGFRSA-N 373.408 4.592 0 40 FJAB O=C(/C=C/c1cccs1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6554165 OHQNPDPOQJSGOO-SJFMBGHLSA-N 373.481 4.738 0 40 FJAB O=C(COc1ccccc1Cc1ccccc1)NCc1ccccc1Cl 6879540 VNORGGDDRVJSLV-UHFFFAOYSA-N 365.860 4.626 0 40 FJAB Clc1ccc(OCCCSc2nc(-c3cccs3)n[nH]2)cc1 7829419 MIMCKNFUDVSOJN-UHFFFAOYSA-N 351.884 4.748 0 40 FJAB Clc1ccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)cc1 8193487 PXNNRXHEGJCANG-UHFFFAOYSA-N 367.880 4.845 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc2cc(OC)ccc2c1 8391192 BSHYKCRUXOFELC-UHFFFAOYSA-N 367.420 4.658 0 40 FJAB O=C(CSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 9346909 DVGCIQKETFEJHM-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB CC(C)(C)C1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 10445607 HTLIMAONQZGNCN-UHFFFAOYSA-N 370.537 4.716 0 40 FJAB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)c2ccccc2)cc1Cl 10601107 YGEOZFHIOADGQG-CYBMUJFWSA-N 357.866 4.593 0 40 FJAB COc1ccc(NCc2cc3cc(C)c(C)cc3n(C(C)C)c2=O)cc1 13564261 SEOUCVDMANYYJK-UHFFFAOYSA-N 350.462 4.820 0 40 FJAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1 14255863 WFMJSLKWNKFJOT-UHFFFAOYSA-N 368.296 4.511 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c2cccnc12 15840807 DPJGVLLBORUHHQ-INIZCTEOSA-N 364.445 4.656 0 40 FJAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCc1c[nH]c2ccccc12 16206306 JHVVHZLIPQSBPO-UHFFFAOYSA-N 355.441 4.511 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCSc2c(F)cccc21 16300564 ZZNMFGDBTLOQNW-SFHVURJKSA-N 354.450 4.593 0 40 FJAB Fc1ccccc1CSCCNC(=S)Nc1ccccc1Cl 18146441 JMQKZXZGJVUMSW-UHFFFAOYSA-N 354.903 4.699 0 40 FJAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3cc(C)sc3C)C2)on1 19120743 KLEZSDSQLDNYOJ-AWEZNQCLSA-N 374.535 4.559 0 40 FJAB O=C(NCCC1=CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 19913521 OLTSGHSWPKHCMR-UHFFFAOYSA-N 360.929 4.559 0 40 FJAB Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)n1 22969730 MEDKZIBSAVIESM-UHFFFAOYSA-N 357.866 4.651 0 40 FJAB COc1ccccc1C(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 23078161 OULJYKPTXGEOJK-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Cl)cn2)o1 28226260 FNJZNKZRPWXSMV-UHFFFAOYSA-N 370.623 4.737 0 40 FJAB CSc1nc2ccc(NC(=O)c3csc(-c4ccco4)n3)cc2s1 29561389 JQVRULHBTILYSW-UHFFFAOYSA-N 373.484 4.987 0 40 FJAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 30752373 BEEQGOVMJNUSIB-HZPDHXFCSA-N 373.518 4.679 0 40 FJAB CCc1nc(Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cs1 31753362 XTSIZZHGEBLHCB-UHFFFAOYSA-N 373.528 4.562 0 40 FJAB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)c1ccccc1 32910010 KMWINWAZRMSJIC-OAHLLOKOSA-N 371.392 4.923 0 40 FJAB COc1cccc2cc(/C=C/C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)oc12 32970296 SHYNOYKVIYZLOG-XEOPVTEJSA-N 365.429 4.830 0 40 FJAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 38835745 KBNNEAXJUSVFJU-INIZCTEOSA-N 369.336 4.608 0 40 FJAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2cccc(Cl)c2)CC1 39751424 HNWZVRGTTPJMSY-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB COc1ccc(Cl)cc1CS[C@@H](C)C(=O)Nc1ccccc1OC 45090576 JQYGFEGUIZYVRR-LBPRGKRZSA-N 365.882 4.618 0 40 FJAB CCc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 64471806 KPSVWUFNEMCOAY-UHFFFAOYSA-N 363.436 4.916 0 40 FJAB CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215637 IKRPWWDGVQMLJL-GOSISDBHSA-N 359.514 4.923 0 40 FJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(Cl)c1)SCC(O)=N2 79480344 OLNXIKFXJKTDEW-QGZVFWFLSA-N 370.865 4.653 0 40 FJAB Clc1cccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1 96214652 SIYWCZUMGLFFJI-JOCHJYFZSA-N 354.925 4.971 0 40 FJAB O=C(C1[C@H]2CCCC[C@H]12)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 100730977 QYYCSTCJWNHDNP-ROUUACIJSA-N 355.478 4.513 0 40 FJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(-c2nc3ccccc3s2)o1 104743391 LAARIEQRYDWBCP-KKUMJFAQSA-N 366.486 4.999 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)cc1 216867306 DHQWCSVVTYPRSS-IAGOWNOFSA-N 351.494 4.905 0 40 FJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219366411 AAYQOQKZYLURST-RBUKOAKNSA-N 367.489 4.879 0 40 FJAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCc2ccccc21 222722322 MCASZUPMXANOJG-UHFFFAOYSA-N 352.286 4.816 0 40 FJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 222838978 ONSUKXKUOKSFRP-VQTJNVASSA-N 368.550 4.769 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222893648 HEPCTSZKCAXILD-OAQYLSRUSA-N 369.505 4.554 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1cccc(C)c1 224107029 ANHDZZKJEHGGDW-UHFFFAOYSA-N 353.462 4.645 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1Cl 224131573 MVEWKURPPSRSRJ-UHFFFAOYSA-N 359.853 4.600 0 40 FJAB O=C(CCc1cccc2ccccc12)NCc1ccc(CN2CCCC2)cc1 224514828 HUVGBBQULLRTLB-UHFFFAOYSA-N 372.512 4.685 0 40 FJAB COc1ccc2cc(C(=O)N[C@@H](C)Cc3csc4ccccc34)[nH]c2c1 618256724 LNEYYHIMNQOFCU-ZDUSSCGKSA-N 364.470 4.752 0 40 FJAB COC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2[C@@H]1c1ccccc1 845423 ZMWKHABCFQCHRI-QHCPKHFHSA-N 370.452 4.651 0 40 FJAB O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)C1CC1 1392363 VCRJNSQZSKSUOS-UHFFFAOYSA-N 356.731 4.895 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2762003 FMMHSXXFNVBYMU-UHFFFAOYSA-N 353.205 4.732 0 40 FJAB O=C([C@@H](Sc1ccccc1)c1ccccc1)n1cc(Br)cn1 2762806 SQAZFZAWOCRNOH-INIZCTEOSA-N 373.275 4.819 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1c2c(nn1-c1ccccc1)CSC2 4077357 XARNGOLISMCREZ-UHFFFAOYSA-N 370.865 4.917 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 4173996 XXLQPJJEBKNWCW-UHFFFAOYSA-N 369.471 4.865 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)c2ccc(-c3csc(C)n3)cc2)c1 4727995 VJVZBAQKINVMDK-UHFFFAOYSA-N 366.486 4.544 0 40 FJAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(OC)ccc2nc1Cl 4881020 SDUNYRNRGWNPSJ-UHFFFAOYSA-N 374.893 4.897 0 40 FJAB FC(F)(F)c1c2c(nn1-c1nc(-c3ccccn3)cs1)CCCCC2 4915983 BNVSIMWKXVYOMW-UHFFFAOYSA-N 364.396 4.679 0 40 FJAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)o1 5434822 CPDVRQDXGCCJID-ZDUSSCGKSA-N 363.442 4.890 0 40 FJAB CC1(C)c2cc(F)ccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(Cl)cc1 5977571 BDBWWBDXFPIKIO-ZUURVNMSSA-N 370.855 4.506 0 40 FJAB O=C(CCCOc1ccc(Br)cc1)Nc1ccc(F)c(F)c1 6377713 FYSTWTOHPQZQCB-UHFFFAOYSA-N 370.193 4.525 0 40 FJAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 6652208 MPZABDNPXULLOF-INIZCTEOSA-N 374.440 4.564 0 40 FJAB Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1C1CC1 7612410 BPTUBBIYRUBZHB-UHFFFAOYSA-N 354.837 4.903 0 40 FJAB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(Br)o1 8914575 CLXOGMXRYVQAPJ-UHFFFAOYSA-N 357.616 4.558 0 40 FJAB CCCn1c2ccccc2c2nnc(SCc3ccc(F)cc3)nc21 9261922 AILAKCQVESFQBJ-UHFFFAOYSA-N 352.438 4.821 0 40 FJAB CCc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)C3CC3)coc2c1 9548818 GLZQUOGWTFPGOG-UHFFFAOYSA-N 351.421 4.868 0 40 FJAB S=C(Nc1ccccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 10184333 JKTVTLRIZNWPMX-UHFFFAOYSA-N 370.909 4.793 0 40 FJAB CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccn2)cc1 10215097 XCEBRQILBLPODQ-FYYLOGMGSA-N 371.440 4.723 0 40 FJAB O=c1cc(COc2ccc(Cl)cc2)c2ccc(Br)cc2o1 10670852 KTDRYQLDFXIODV-UHFFFAOYSA-N 365.610 4.788 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1csc(-c2ccccc2)n1 10893687 ISKXIRRXQSPYLR-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB CCOc1ccc2nc(SCc3nnc(-c4ccc(C)o4)o3)sc2c1 12412334 AMRQKIWOFSSEQE-UHFFFAOYSA-N 373.459 4.939 0 40 FJAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)cc2)cs1 12586418 WITXAQMETFFVBR-NSHDSACASA-N 373.428 4.836 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)s1 13003368 WLZWYNMNRJNXHO-UHFFFAOYSA-N 360.660 4.733 0 40 FJAB COc1ccccc1[C@@H](C)NCC(=O)N(Cc1ccccc1)c1ccccc1 13020119 CWJWVXOHUQSBAT-LJQANCHMSA-N 374.484 4.579 0 40 FJAB CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c2cccnc12 15840955 AIMIUDDDSJUCBY-CQSZACIVSA-N 368.408 4.569 0 40 FJAB Cc1ncc(CNc2ccc(CCc3nc4ccccc4n3C)cc2)s1 19715796 OZOYWDLXTCFEOL-UHFFFAOYSA-N 362.502 4.736 0 40 FJAB COc1cccc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3nc2C)c1 19718122 QAGMCBGMOJVPCH-OAQYLSRUSA-N 364.420 4.668 0 40 FJAB Cc1ccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 20457423 CAHLAHMBFQNLJS-QFIPXVFZSA-N 365.498 4.512 0 40 FJAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)c1cc2ccccc2o1 22989797 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4.895 0 40 FJAB S=c1n(CN(C2CCCC2)C2CC2)nc(C2CC2)n1-c1ccccc1 32923194 OYJMWXRPOQWJCM-UHFFFAOYSA-N 354.523 4.645 0 40 FJAB Fc1cccc(CSc2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 33874786 QXBDFFHDXFSCDH-MRXNPFEDSA-N 369.465 4.652 0 40 FJAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 36620568 RRWVVQDJJRKCTM-FQEVSTJZSA-N 361.482 4.550 0 40 FJAB CCc1ccc(NCc2cc(Br)c(OC)c(OC)c2)cc1 36815610 BUKAIROLMGEHMG-UHFFFAOYSA-N 350.256 4.641 0 40 FJAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 38833333 ZWJRRABWTCJSDX-GOSISDBHSA-N 356.897 4.808 0 40 FJAB CCc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 57314173 JBLKYHHSWIFKSG-UHFFFAOYSA-N 362.267 4.808 0 40 FJAB CCCCN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 57322431 LVWAJSUCJRBJKW-UHFFFAOYSA-N 363.457 4.644 0 40 FJAB FC(F)(F)c1ccnc(N[C@H](COCc2ccccc2)c2ccccc2)n1 72293828 QONDGMDITJVRCP-QGZVFWFLSA-N 373.378 4.865 0 40 FJAB CCc1nccn1-c1cccc([C@@H]2CCCN2CCCc2ccccc2)n1 72379107 UTWNBOXFMCFVIA-NRFANRHFSA-N 360.505 4.599 0 40 FJAB O=C(/C=C/SCc1ccco1)OCc1ncc(-c2ccc(F)cc2)o1 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224243492 ALVUESCLUBHSAX-OAHLLOKOSA-N 370.331 4.777 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 224806192 KYBAKJZVBBKASU-JLHYYAGUSA-N 368.908 4.656 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 225264285 JYSGQHKISAKVKA-CYBMUJFWSA-N 363.379 4.990 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)n1 225293086 IEERERKVUVJLGJ-LJQANCHMSA-N 361.489 4.656 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c(C)c1 225477603 USQJVXCDEWJHCG-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB Cc1nc2ccc(C(=O)NCc3cccnc3-c3ccsc3)cc2s1 225646234 RMAIJKGLEGCHJX-UHFFFAOYSA-N 365.483 4.658 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 225914121 ZEYJJPTVWXDVGV-INIZCTEOSA-N 374.488 4.588 0 40 FJAB Fc1cccc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 306135233 OLJMPKMSNBZHTO-NRFANRHFSA-N 372.447 4.873 0 40 FJAB Cc1ccc(CSCC(=O)Nc2cccc(Br)c2)cc1 408774597 PPFOKQVHKRYLLJ-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCCC1 409003537 SNYOARUPEBVUAH-FXAWDEMLSA-N 374.525 4.557 0 40 FJAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2cccc3[nH]ccc23)n1 585260835 KUQMHAPVVFSMBA-HXUWFJFHSA-N 373.460 4.567 0 40 FJAB CCOc1ccccc1-c1ccc(C(=O)O)c(Cc2cccc(F)c2)n1 585265407 MDTQHIJWBODDAV-UHFFFAOYSA-N 351.377 4.575 0 40 FJAB CCc1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1Cl 1310704660 KZSSEVZGRORGMA-OAQYLSRUSA-N 370.880 4.956 0 40 FJAB COc1ccc(C(=O)N(C)c2nc(-c3ccc(Cl)cc3)cs2)cc1 932747 VSWXXICZOXSENA-UHFFFAOYSA-N 358.850 4.749 0 40 FJAB C[C@H](C(=O)Nc1ccc(F)cc1F)n1c(C(F)(F)F)nc2ccccc21 1399305 CDJQMRLTXJGLHQ-SECBINFHSA-N 369.293 4.533 0 40 FJAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 2647743 YREASFAEJUIEMI-UHFFFAOYSA-N 357.388 4.931 0 40 FJAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCC1 2718344 LTCYEBUHPCGFDX-UHFFFAOYSA-N 350.487 4.940 0 40 FJAB O=C(c1ccc(C(=O)C(Cl)(Cl)Cl)cc1)C(Cl)(Cl)Cl 3066379 GIOAGCXQKVCGFT-UHFFFAOYSA-N 368.858 4.792 0 40 FJAB biogenic CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1cccs1 3456145 MKINCMDBUUHHAI-UHFFFAOYSA-N 367.503 4.570 0 40 FJAB CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 3849722 NPOYAOIFAQWWBZ-OTHWRCMBSA-N 362.554 4.913 0 40 FJAB Cc1cccc(N2CCN(C(=S)c3ccc(C(C)(C)C)cc3)CC2)c1 3894244 BEYWGZXWEQJQEC-UHFFFAOYSA-N 352.547 4.790 0 40 FJAB Cc1ccc(-c2cc(C(F)F)nc(N3CCc4ccccc4C3)n2)cc1 3896181 SYKZTEZWERHNNU-UHFFFAOYSA-N 351.400 4.952 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 3907877 UPMCDHGNHUNCED-UHFFFAOYSA-N 362.307 4.621 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 5461664 JTXBFIFKPUDJIU-LBPRGKRZSA-N 363.866 4.636 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)cc1OCC 6649563 KNEYADMGQSOTNP-IAGOWNOFSA-N 355.478 4.855 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 6940277 BQKRUWOENWZETG-KRWDZBQOSA-N 352.478 4.818 0 40 FJAB Cc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603226 YGNZZTMZUVUOCS-GDNBJRDFSA-N 372.833 4.916 0 40 FJAB c1ccc2sc([C@H]3CCCN(c4ncnc5sccc45)C3)nc2c1 7979825 UDYRXISSYZLIDK-LBPRGKRZSA-N 352.488 4.685 0 40 FJAB COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1Cl 7982017 HEUYQNFNBUVNNW-UHFFFAOYSA-N 360.866 4.920 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(C)cc1 8479110 AYUGDWKKWIDFEM-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB COc1ccc2nc(-c3ccccc3)c(CN3CCC[C@H](C)C3)c(O)c2c1 8572513 OSAMSDLBJQEKEF-INIZCTEOSA-N 362.473 4.848 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc4ncccc34)cc12 8755590 MQZWWUNTKHEMLA-UHFFFAOYSA-N 364.474 4.863 0 40 FJAB O=C(CCc1ccsc1)Nc1ccc2nc(N3CCCC3)sc2c1 10578490 VPHIVVZKNULBDT-UHFFFAOYSA-N 357.504 4.529 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)OCc1cccc2cccnc12 11297341 FVYXUVFPVHEDQE-UHFFFAOYSA-N 362.212 4.664 0 40 FJAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3F)cc2)cs1 12563998 JMHVKWZSXSELEG-NSHDSACASA-N 373.428 4.836 0 40 FJAB Cc1cc2oc(=O)cc(CN(C)CCOc3ccccc3C)c2cc1Cl 12903646 AYNNXJDXNYEUAT-UHFFFAOYSA-N 371.864 4.574 0 40 FJAB O=C(NCc1ccccc1Cn1cccn1)c1sccc1-c1ccccc1 12994569 MCBDGLIAAOITTO-UHFFFAOYSA-N 373.481 4.590 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCc2ccccc21 12999284 CNSAZCFIQJCYBX-MEDUHNTESA-N 350.245 4.564 0 40 FJAB CCCn1c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)nc2ccccc21 14093006 SOSADFYHCBINLV-GDBMZVCRSA-N 351.450 4.734 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCSc2ccccc2)cc(C)c1Cl 14396745 NRMGWBWGFNZORR-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccnc12 15840831 FWHVYTUPVOXVJV-ZDUSSCGKSA-N 370.836 4.693 0 40 FJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cccc(OC3CCCC3)c2)on1 19120578 MJCURIPJYDACFW-PGRDOPGGSA-N 354.494 4.805 0 40 FJAB CCC[C@@H](CN(CCN(C)C)Cc1ccccc1)c1ccc(OC)cc1 19366355 UEQHUGUPZTYFLZ-QFIPXVFZSA-N 354.538 4.643 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1Cl 20041366 QAEGHWUUTWEONA-UHFFFAOYSA-N 373.792 4.524 0 40 FJAB CC(C)CCn1c(SCC(=O)NCc2cccs2)nc2ccccc21 22134064 IMQGLHDSILGSTL-UHFFFAOYSA-N 373.547 4.552 0 40 FJAB Cc1ccsc1CNC(=O)c1ccccc1OCc1ccc(F)cc1 25678775 YGIBSZBIWQCJSR-UHFFFAOYSA-N 355.434 4.705 0 40 FJAB C[C@@H]1Oc2c(C(=O)Nc3ccccc3OCC(F)(F)F)cccc2[C@@H]1C 32885719 LSJURQXOXMWPEQ-NEPJUHHUSA-N 365.351 4.764 0 40 FJAB O=C(Nc1ccc(Cl)cc1F)c1cc2cc(Br)ccc2[nH]1 40061863 SOBALUVZDRGCAN-UHFFFAOYSA-N 367.605 4.975 0 40 FJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CC=C(c2ccc(O)cc2)CC1 42857894 GLSQAAOXXDZQME-CQSZACIVSA-N 369.415 4.987 0 40 FJAB CCSc1ccc(C(=O)c2ccccc2I)cc1 43210162 BUPXPVQKZSGEPD-UHFFFAOYSA-N 368.239 4.634 0 40 FJAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)Nc1cccs1 44225005 OFXUJKCKCUIQSU-UHFFFAOYSA-N 351.431 4.953 0 40 FJAB CCOc1ccc(CNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 44902586 JDNDKILWOHFJGH-SFHVURJKSA-N 363.910 4.926 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(O)cc2)o1 47894987 HGVADUZDGBQECO-UHFFFAOYSA-N 365.414 4.698 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3F)n[nH]2)cc1 51315476 DJSZNWLLOUJPOI-UHFFFAOYSA-N 359.788 4.520 0 40 FJAB Cc1ccc(OCCSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 57996449 JTEQIYKRHIOTGT-UHFFFAOYSA-N 369.408 4.765 0 40 FJAB Cc1cc(N(C)C)ccc1NC(=O)C1c2ccccc2Oc2ccccc21 65491181 AVZVCVXMBOIPSU-UHFFFAOYSA-N 358.441 4.937 0 40 FJAB COc1ccccc1-c1noc(Cc2nc(-c3ccc(C)cc3)cs2)n1 67246042 CAZPQUZCQPAVAN-UHFFFAOYSA-N 363.442 4.768 0 40 FJAB Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 72358382 FXUSMWKANQPVPF-QGZVFWFLSA-N 365.427 4.801 0 40 FJAB O=C(CCc1ncc(-c2ccccc2F)o1)OCCSc1ccccc1 95466578 ZRMKQMSHTPGTPS-UHFFFAOYSA-N 371.433 4.749 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2c(O)ccc(C)c2C)cc1 100684232 GCVHKWOBVVHVRS-QFIPXVFZSA-N 371.436 4.902 0 40 FJAB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cc1cccc(Cl)c1 102734513 LFEPPUARXVRGEQ-UHFFFAOYSA-N 363.848 4.963 0 40 FJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(Cl)s1 207964764 NRDYSJHBKBJUQM-AWEZNQCLSA-N 369.920 4.536 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N 216866299 JUPXHTLMCATPMA-IRXDYDNUSA-N 351.494 4.905 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc(-c2ccc(Cl)cc2)nc1 222604890 IFOSAJTYYRLKCM-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 224190842 ZQQSSUIBPJPGNV-QZTJIDSGSA-N 365.527 4.937 0 40 FJAB Cc1ccc(SCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225131187 MZGCUYRQTALVTF-UHFFFAOYSA-N 372.515 4.683 0 40 FJAB O=C(Cc1cccs1)NCCSCc1ccc(Cl)c(Cl)c1 225503564 JUCGKWIOPQVZQU-UHFFFAOYSA-N 360.331 4.647 0 40 FJAB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c2ncccc12)C1CC1 225913595 DXPFHUHSLGSHKG-NRFANRHFSA-N 356.466 4.556 0 40 FJAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(O)cc1 408732587 SDJUHOBZCGOLNV-UKTHLTGXSA-N 355.802 4.605 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1Cc3ccccc3[C@H]21 408995115 JDPLLLGJVIUSTD-CEWLAPEOSA-N 359.400 4.995 0 40 FJAB CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(C)c2)C1=O 409315392 IQQGTSWBDYIMIH-LDADJPATSA-N 353.443 4.630 0 40 FJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccco2)C1 784695 ICITYUFDYDUMKE-IVZQSRNASA-N 366.461 4.573 0 40 FJAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(C)cc2)n1 1389638 GMSZPSDOTVLJNC-UHFFFAOYSA-N 361.228 4.941 0 40 FJAB CCCCOc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2135520 LKWXHYCVESDXLL-UHFFFAOYSA-N 362.381 4.745 0 40 FJAB biogenic O=C(Nc1cccnc1Oc1ccc(F)cc1)C(Cl)=C(Cl)Cl 2152021 WOUDAEMCYBFHMC-UHFFFAOYSA-N 361.587 4.837 0 40 FJAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(F)cc3)c12 2218117 PLMDPDQYDSYHTC-UHFFFAOYSA-N 368.404 4.845 0 40 FJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)o1 2662563 ZNVCSLXNKFIKSC-UHFFFAOYSA-N 360.460 4.692 0 40 FJAB Cc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1C 2919751 LZNVQBRDZXFMNM-IAGOWNOFSA-N 356.832 4.834 0 40 FJAB CC[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 3217731 XVELBUVLDUSLFI-AWEZNQCLSA-N 366.244 4.669 0 40 FJAB O=C(COc1ccc(Cl)cc1)OCc1csc(Nc2ccccc2)n1 3225358 KFQRQELMOXVWCY-UHFFFAOYSA-N 374.849 4.662 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNc2cccc(C)c2C)CCCC1 3648917 CDBSMPMPDUCVCG-IBGZPJMESA-N 362.517 4.918 0 40 FJAB Cc1cc(C(F)(F)Cl)n(C(=O)Nc2cccc(C(F)(F)F)c2)n1 4059964 VAIJXZJUNZTQST-UHFFFAOYSA-N 353.678 4.579 0 40 FJAB O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)c2ccccc2)c1 4761394 IWQLMYDDIVJWPZ-UHFFFAOYSA-N 365.816 4.589 0 40 FJAB CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(C(C)=O)cc1 4813596 XSRBMKIIJKQSCD-QGZVFWFLSA-N 354.431 4.540 0 40 FJAB Cc1sc(NC(C)(C)C)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C 4968476 SSQGOJHDJIZSQY-UHFFFAOYSA-N 357.523 4.874 0 40 FJAB Cc1ccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)o2)cc1 5862693 XHEPGWBKVJFELJ-UHFFFAOYSA-N 356.838 4.638 0 40 FJAB O=C1S/C(=C/c2ccccn2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 6270195 LJFDCHDFBPGIOH-RIYZIHGNSA-N 365.241 4.625 0 40 FJAB Cc1coc(C)c1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 6491802 SLLNTNIYGWSEOC-UHFFFAOYSA-N 351.855 4.903 0 40 FJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1cccs1 7309966 BTIIOJJZJNYWST-GFCCVEGCSA-N 362.303 4.581 0 40 FJAB CN(C)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 7670477 FBFIOXPJPBAUAY-UHFFFAOYSA-N 363.895 4.843 0 40 FJAB CCc1cccc(NC(=O)c2ccccc2OCc2csc(C)n2)c1 7920761 ZOGUNTAISPBDOB-UHFFFAOYSA-N 352.459 4.845 0 40 FJAB CC(C)c1ccc(-c2noc(CSc3nnc(NC4CC4)s3)n2)cc1 8156312 PQENPPYKUBZXBA-UHFFFAOYSA-N 373.507 4.578 0 40 FJAB Cc1ccc(-c2cc(NC(=O)[C@H](C)Oc3cccc(C)c3C)on2)cc1 8915195 JSGLCPXLVFOKKS-INIZCTEOSA-N 350.418 4.673 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1Cl 9318530 WMRXNEMBHZLMSB-AWEZNQCLSA-N 367.836 4.527 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503822 SOUMZXJPWKLZLB-LBPRGKRZSA-N 374.271 4.890 0 40 FJAB Cc1sc(NC(=O)c2ccoc2)nc1-c1ccc(OC(F)F)cc1 10956643 VIAMKCWCPNGTPC-UHFFFAOYSA-N 350.346 4.565 0 40 FJAB CCOC(=O)N1CCC[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 12986684 UQGPIZOSFYVFEM-INIZCTEOSA-N 360.498 4.740 0 40 FJAB c1nc(Sc2ccc3c(c2)OCCCO3)c2c3c(sc2n1)CCCC3 13095232 NBABQVQOPMCYMP-UHFFFAOYSA-N 370.499 4.883 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3Cl)c(=O)oc2c1 14095832 NROHNGBYGFRHMV-UHFFFAOYSA-N 355.821 4.635 0 40 FJAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)/C=C/c2ccc(OC(F)F)cc2)o1 14246659 ZJIGHPSJIJJJFC-DFIGSECYSA-N 361.388 4.676 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2cc(F)ccc2C)cc1OC 15078160 QGEQKXXVIQHAFW-UHFFFAOYSA-N 351.805 4.837 0 40 FJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 16751684 OANYOGIRZKUMII-GOSISDBHSA-N 367.832 4.792 0 40 FJAB COc1ccc(C)cc1NC(=S)N1CCC(Cc2ccccc2)CC1 17073374 BXBAOJQSUGXLQS-UHFFFAOYSA-N 354.519 4.655 0 40 FJAB CCC(=O)c1ccc(OC(=O)c2sc3cccc(F)c3c2COC)cc1 17339304 JNWDEFIHQQHDIX-UHFFFAOYSA-N 372.417 4.999 0 40 FJAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)c1 20882523 BLESACNTWIUNRF-CYBMUJFWSA-N 367.499 4.924 0 40 FJAB CCOc1ccc(C(C)=O)cc1Cn1c(C(F)(F)F)nc2ccccc21 28192503 XREIFXNMNKVKGK-UHFFFAOYSA-N 362.351 4.705 0 40 FJAB Cc1c(-c2ccc(Br)cc2)nc2sc(CC(C)C)nn12 28540072 ZSLBILOSRGNMKS-UHFFFAOYSA-N 350.285 4.727 0 40 FJAB CC(C)[C@H](NC(=O)CN1CCSC1=O)c1ccc(C2CCCCC2)cc1 29766081 XXZUCEOPBZFMRE-FQEVSTJZSA-N 374.550 4.716 0 40 FJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2ccc(C(C)C)cc2)cc1 31817847 CDYAOSJYSSKBHD-HNNXBMFYSA-N 355.503 4.982 0 40 FJAB Cc1ccc2nc(COC(=O)c3ccc(Oc4ccccc4)cc3)cn2c1 32823664 VWBKSXKTOVSECI-UHFFFAOYSA-N 358.397 4.792 0 40 FJAB Cc1nc(COc2cccc(C(=O)OCc3cccc(F)c3)c2)cs1 36795163 RLUOMYYPTIGHLQ-UHFFFAOYSA-N 357.406 4.527 0 40 FJAB Cc1nc(COc2cccc(C(=O)N(C)c3cc(F)ccc3F)c2)cs1 58179506 IFNSINSGYJFYPI-UHFFFAOYSA-N 374.412 4.585 0 40 FJAB O=C(Nc1cnccc1Oc1ccccc1)c1csc(-c2ccco2)n1 58440923 IBXXGUDNDWEFCY-UHFFFAOYSA-N 363.398 4.843 0 40 FJAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](c2cn(C)nc2C)S1 71288232 SCYOLSCOOKRVTF-KRWDZBQOSA-N 373.526 4.802 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1F 71761690 PUDAICMAGXFNSG-UHFFFAOYSA-N 369.421 4.788 0 40 FJAB Clc1cccc(-c2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 72350084 IFMTZGWEDIQTIO-QGZVFWFLSA-N 356.897 4.760 0 40 FJAB Cc1nc(C)c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)s1 73134532 ATTPPXPLTAAKPE-HNNXBMFYSA-N 360.529 4.671 0 40 FJAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)Nc1ccccc1Cl 96104114 WMGNPJOPEIRTMB-UHFFFAOYSA-N 358.873 4.851 0 40 FJAB O=c1[nH]c2c(s1)[C@H](c1c[nH]c3ccccc13)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101174888 AASRQRDVFMNPRX-HESYKUAYSA-N 354.500 4.570 0 40 FJAB COc1ccccc1O[P@@](C)(=O)Nc1ccc(Br)cc1 101568568 RSCOAJHWXHGQQE-HXUWFJFHSA-N 356.156 4.772 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2)cc1 216283122 YANKYEGBYCRULA-QFIPXVFZSA-N 365.860 4.933 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1C 219312321 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c1ccc([C@@H]2N=C(c3ccc4cccnc4n3)O[C@H]2c2ccccc2)cc1 1988182106 JIAZQMUSVIVHCY-SFTDATJTSA-N 351.409 4.889 0 40 FJAB Cc1ccc(CN2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 2037989147 XEIVWYQUJUIIEP-QFIPXVFZSA-N 353.485 4.553 0 40 FJAB O=C(Nc1cc(F)cc(F)c1)c1sc(Cl)nc1-c1ccccc1 632970 XIUPPQHWJNAONM-UHFFFAOYSA-N 350.777 4.994 0 40 FJAB COc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1 811116 RPIDJAYXELRZTA-UHFFFAOYSA-N 373.456 4.736 0 40 FJAB O=C(Nc1ccc(F)cc1F)c1csc(-c2ccc(Cl)cc2)n1 1401151 BNXDFBQIVYOETF-UHFFFAOYSA-N 350.777 4.994 0 40 FJAB O[C@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc12)[C@@H]1CCCCN1 1733787 AJCGFJGKPNNFGK-GHTZIAJQSA-N 352.865 4.731 0 40 FJAB O=C(c1cccc(Br)c1)c1ccccc1CN1CCCCC1 2515502 PPYBMWUCGNYYDW-UHFFFAOYSA-N 358.279 4.666 0 40 FJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1Cl 2721893 IQCPVENJFKCBLP-UHFFFAOYSA-N 373.865 4.807 0 40 FJAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1C 3363847 DKSDCVUOKALWTD-UHFFFAOYSA-N 372.424 4.627 0 40 FJAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 4674696 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4.913 0 40 FJAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)c1 10504102 DGZBILUVGLDMRL-FQEVSTJZSA-N 362.454 4.756 0 40 FJAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCc1ccco1 12389562 NFHPACKVQPIXBQ-UHFFFAOYSA-N 367.257 4.569 0 40 FJAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC(C)(C)C 12611804 JGPGWHJYQWBSNT-LBPRGKRZSA-N 371.531 4.754 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 12764901 QWPXRTCBLHXPEF-OAQYLSRUSA-N 363.457 4.756 0 40 FJAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(F)cc1 14258525 HCTRLNDDRUQQLB-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB CCCOc1ccc(NC(=O)COc2ccc(CC)cc2)c2cccnc12 15841019 XYVZBITZIVMLKP-UHFFFAOYSA-N 364.445 4.604 0 40 FJAB COc1ccc(-c2nc(/C=C/C(=O)Nc3cccc(C)c3)cs2)cc1 16202862 DRXDQHUVJVTNSZ-DHZHZOJOSA-N 350.443 4.779 0 40 FJAB Cc1ccc2cccc(OC(=O)c3oc4c(c3C)[C@@H](O)CC(C)(C)C4)c2n1 16740264 GCLMCXQYGTULFX-HNNXBMFYSA-N 365.429 4.670 0 40 FJAB O=C(NCc1cccc(Cl)c1)c1cc(-c2cccnc2)nc2ccccc12 17117291 ISZWYQOYIIHLAR-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3ccc(F)c(F)c3)c2C)cc1 17315467 HOXQBHUEGFBXLZ-OAHLLOKOSA-N 369.459 4.986 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)C1 20050335 SNFSPZPCYKAFEU-GOSISDBHSA-N 374.594 4.714 0 40 FJAB CC(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 20969254 YUPXRUCETCPCGX-UHFFFAOYSA-N 365.614 4.869 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1C 22531394 IHQLOJRBRVHION-LJQANCHMSA-N 357.519 4.510 0 40 FJAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccc4ccccc4n3)c2C)cc1 22890113 ALJHHHJEKLPNOP-UHFFFAOYSA-N 356.429 4.598 0 40 FJAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CC=C(c2ccccc2)CC1 25101240 REGPLYYCCFNRLE-UHFFFAOYSA-N 363.848 4.660 0 40 FJAB Cc1cccnc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl 27651359 YLTFRGVMQRYRLV-UHFFFAOYSA-N 352.821 4.728 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 29211426 GPIHTPVRSPWZAL-UHFFFAOYSA-N 373.880 4.816 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1 30852604 YLTJFJJCKYUTIG-KRWDZBQOSA-N 363.910 4.547 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 30860466 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FJAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 96005881 VRVPCTJFOMDVPF-HBUWYVDXSA-N 365.420 4.680 0 40 FJAB COc1cc(NC(=O)NCc2ccccc2-c2ccsc2)cc(OC)c1 96122951 KHBQTRNKERVCJH-UHFFFAOYSA-N 368.458 4.754 0 40 FJAB C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 224059236 NIIBTVIWZRJNQE-GFCCVEGCSA-N 360.244 4.670 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 224273453 QSKJTGAHUPPGTP-UHFFFAOYSA-N 365.860 4.892 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 224474058 JOYNSXCRQXOZIP-QGZVFWFLSA-N 351.874 4.709 0 40 FJAB CCCNC(=O)c1ccc(OCC)c(COc2cccc3ccccc23)c1 224627828 OGCOJLMYHXMRLU-UHFFFAOYSA-N 363.457 4.957 0 40 FJAB CCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OCC)cc2)o1 224915342 NQSQFCSXCAYNNE-UHFFFAOYSA-N 364.445 4.937 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1ccccc1 224970356 BDFHRISVRRBWNK-UHFFFAOYSA-N 361.510 4.946 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)c1 225716034 UPSOKWOMRCSRFA-LJQANCHMSA-N 370.518 4.918 0 40 FJAB CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 408624598 VEWVGYAVZYWLIK-UHFFFAOYSA-N 373.865 4.617 0 40 FJAB Cc1cccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1 520731682 SQNUBNXUTIJILL-QGZVFWFLSA-N 368.235 4.655 0 40 FJAB COc1cccc(-c2nc3cc(C)ccn3c2NC2CCCC2)c1OC 881977 QQGBKQAYTSLZCK-UHFFFAOYSA-N 351.450 4.681 0 40 FJAB O=C1c2cccc3cccc(c23)C(=O)N1Nc1cc(Cl)ccc1Cl 892939 OIKCGWDWODBZCJ-UHFFFAOYSA-N 357.196 4.770 0 40 FJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)c(C)cc2c1 915641 KJUFOWZXHKLRPH-UHFFFAOYSA-N 366.486 4.981 0 40 FJAB COc1ccc(C(=O)Oc2cccc(Nc3ncnc4ccccc34)c2)cc1 949623 AFAGCDRTDQAXCD-UHFFFAOYSA-N 371.396 4.601 0 40 FJAB O=S(=O)(CCc1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl 1882028 UDNQXGUAJHSFLC-UHFFFAOYSA-N 365.665 4.598 0 40 FJAB COc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2241954 JVPHCIQYHWLOTG-UHFFFAOYSA-N 374.469 4.630 0 40 FJAB CCOc1cc(C=O)c(Br)cc1OCc1ccccc1Cl 2767151 HPYSQDYMGPQJQW-UHFFFAOYSA-N 369.642 4.893 0 40 FJAB COc1ccc(-n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1 3374472 YCCZEFAIDSYUTQ-UHFFFAOYSA-N 366.273 4.875 0 40 FJAB C[C@H](OC(=O)C[C@H](C)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 3416912 IQTMRWLBCZFZTM-IRXDYDNUSA-N 361.441 4.904 0 40 FJAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 3456388 ICCGOVUGCDSJRY-LLVKDONJSA-N 365.882 4.883 0 40 FJAB Cc1c([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)c2ccccc2n1C 4092299 DGECMFCTJZBCGV-WYRIXSBYSA-N 365.502 4.527 0 40 FJAB CCCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4276187 NGEZXXUYQCIKPD-UHFFFAOYSA-N 351.406 4.558 0 40 FJAB Cc1c(C(=O)O[C@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 4806324 ZNHBWRSMVMIORE-YFROIQMUSA-N 369.436 4.720 0 40 FJAB COc1cc(-c2nc3nc(C)cc(C)n3c2Nc2ccc(C)cc2)ccc1O 4903404 YVVZPZXTODHASR-UHFFFAOYSA-N 374.444 4.779 0 40 FJAB Cc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccccc3c2=O)cc1 4936907 ZCPQDVFESYLFBF-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB c1ccc(CCNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 5035210 UCESDDAWYRGWRD-UHFFFAOYSA-N 365.440 4.599 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1ncc(-c2ccccc2)o1 5538462 GBFIWLQOCVNKBH-UHFFFAOYSA-N 360.369 4.662 0 40 FJAB COc1ccc(NC2=NN=C(c3ccc(Cl)cc3Cl)CS2)cc1 5939550 UQQJXQWCYXDHCP-UHFFFAOYSA-N 366.273 4.921 0 40 FJAB COC(=O)c1c(C)[nH]c(-c2nc(NCc3ccc(C)cc3)sc2C)c1C 6561363 VGPTZYSGXUWFMT-UHFFFAOYSA-N 369.490 4.771 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccsc1)S[C@H](C)C(=O)N2 6679246 PPUITQVGVKEARQ-BDJLRTHQSA-N 373.478 4.545 0 40 FJAB COc1ccc(Nc2nnc(SC[C@@H]3CC3(Cl)Cl)s2)cc1 6984462 AJUYWFXXLPIRSR-QMMMGPOBSA-N 362.307 4.576 0 40 FJAB CC(=O)c1ccccc1OCCSc1nc(Cc2ccccc2)c(C)[nH]1 9946771 RTWLCYQGGJHCJM-UHFFFAOYSA-N 366.486 4.683 0 40 FJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 11636877 SKBFRZZRVFJECW-INIZCTEOSA-N 353.340 4.510 0 40 FJAB CCn1/c(=N\C(=O)c2ccc(Cl)s2)sc2cccc(Cl)c21 12180924 QPGZUBRMWLLENN-SAPNQHFASA-N 357.287 4.832 0 40 FJAB Cc1nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c(C)c1Cl 12444730 DFXICYMQFHGINV-UHFFFAOYSA-N 356.838 4.866 0 40 FJAB CCCCNc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC 12547666 WUCWXISVZWXRLR-UHFFFAOYSA-N 364.493 4.758 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)CCSc2ccc(C)cc2)cc1 13024037 QMBWKUMMFFECIG-MRXNPFEDSA-N 371.502 4.610 0 40 FJAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 13204244 XJSMFZDCPUZHSP-UHFFFAOYSA-N 366.273 4.909 0 40 FJAB CCOc1ccccc1C[C@H]1C(=O)N(CC)c2ccc(Br)cc21 15018118 VSYPEIGYSBFMGN-MRXNPFEDSA-N 374.278 4.541 0 40 FJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCCO2 15618865 GDTKNCIGYAQGMN-VMPITWQZSA-N 363.335 4.519 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1 15862621 MQRJXUJVYYYGGB-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C 17303789 ZUNWZWGNWPNFGM-UHFFFAOYSA-N 373.840 4.512 0 40 FJAB C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(Cl)cc1 17959670 FSFKOTBCJCSDCU-ZDUSSCGKSA-N 372.877 4.867 0 40 FJAB O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 19898431 UIGIJNRSUAPPAT-UHFFFAOYSA-N 361.832 4.836 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl 20139374 NMLTUYUJAFYWPY-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(-c2ccc(CO)o2)c1 20145062 BHKFBTLJSASCDL-IZZDOVSWSA-N 353.805 4.744 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cn2c3c(cccc3c1=O)CCC2 22235274 NTDXECRZGYRBBH-UHFFFAOYSA-N 373.239 4.507 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 24357999 YNTPFLFEAQNKMW-UHFFFAOYSA-N 373.884 4.684 0 40 FJAB COC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1C1CC1 25356621 GPHLTAZBBPEHTA-UHFFFAOYSA-N 354.431 4.557 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 25735514 AYOHKAICUMEPRV-UHFFFAOYSA-N 367.430 4.732 0 40 FJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2CCCC2)o1 27984142 HLDFVUVKRYHSRI-UHFFFAOYSA-N 360.457 4.719 0 40 FJAB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)NC1CCCCC1 28495836 NUEDHXRVSSQQLY-WYMLVPIESA-N 354.837 4.956 0 40 FJAB Cc1nc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)sc1C 31813129 KTXAMVOMQWQDPA-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1Cl 32461947 HIRDYTUEXQTLPK-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc3c(c2)CCC3)nc1-c1ccccc1 32829313 KTAIQQGGBKBZCS-UHFFFAOYSA-N 362.454 4.754 0 40 FJAB CCOc1ccc2ncc(C(=O)c3ccccc3)c(N3CCCCC3)c2c1 36102732 KLOIXSAMOFOIGK-UHFFFAOYSA-N 360.457 4.855 0 40 FJAB Cc1ccccc1-c1nnc(SCCOc2c(C)cccc2C)n1C 36807319 RPONZBAXDJSNQH-UHFFFAOYSA-N 353.491 4.578 0 40 FJAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1C 38835182 WCXDSZABORURRW-GOSISDBHSA-N 356.897 4.808 0 40 FJAB CC1CCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 38848623 WJIWHBZHWFRWKE-UHFFFAOYSA-N 356.897 4.502 0 40 FJAB Cc1cccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC2(C)C)c1 45933108 JAVZKYXVOUJULP-UHFFFAOYSA-N 356.878 4.657 0 40 FJAB CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1C 58218776 DDZNRUDFIBQWIQ-INIZCTEOSA-N 369.465 4.619 0 40 FJAB Cc1cc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)[nH]n1 65532089 OIMYVFKAAORUSX-UHFFFAOYSA-N 362.408 4.577 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 72380276 BYQPQARFXAKBEL-KRWDZBQOSA-N 355.457 4.502 0 40 FJAB Clc1ccc2oc(-c3ccc(I)cc3)nc2c1 73639089 ALCPYGBECIGWFO-UHFFFAOYSA-N 355.562 4.753 0 40 FJAB O=C(c1ccccc1Br)N1CCC(c2cccs2)CC1 75157052 OTCREGXJPCWNSZ-UHFFFAOYSA-N 350.281 4.530 0 40 FJAB Cc1n[nH]cc1CNC1(Cc2ccc(Br)cc2)CCCCC1 75582606 BWYDOPHWRAAZLF-UHFFFAOYSA-N 362.315 4.516 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1c[nH]cc1-c1ccc(F)cc1 76041350 CKODZPBXLXUMDV-UHFFFAOYSA-N 365.433 4.703 0 40 FJAB Cc1nc2ccc(NC(=O)COc3cccc(OCC(C)C)c3)cc2s1 84290377 VFMIDLWMSJISSN-UHFFFAOYSA-N 370.474 4.657 0 40 FJAB O=C(NCCCc1ccccc1)N(Cc1ccoc1)Cc1cccs1 90612234 LGMHGBZQIPZQOV-UHFFFAOYSA-N 354.475 4.686 0 40 FJAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934297 PWDNBUZSKOZXCR-JKSBNFNVSA-N 362.554 4.815 0 40 FJAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccoc1 208005361 BROSPJJVDWRYHQ-UHFFFAOYSA-N 362.414 4.794 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 219516661 PBOYWEOBHYUQQB-IBGZPJMESA-N 369.505 4.609 0 40 FJAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 224179249 QFOWIPQUTRJQRE-UHFFFAOYSA-N 352.327 4.628 0 40 FJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Cl)cc1C(C)C 224858989 YZTDBBJPZBPPID-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(OC)c(C)c1 225683763 NWXDKSMYRGLYKT-INIZCTEOSA-N 353.418 4.640 0 40 FJAB CCCCOc1cccc(C(=O)Nc2cc(N)ccc2N(CC)CC)c1 226261564 FAWHSSXNBNAOCJ-UHFFFAOYSA-N 355.482 4.546 0 40 FJAB Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)[nH]2)cc1 226299701 CHNYENFWRWMZRG-UHFFFAOYSA-N 350.274 4.995 0 40 FJAB CC[C@@H](C)n1ncc(NC(=O)N2CCc3c(cccc3C(C)C)C2)c1C 332108055 DJNCOGLFZANHCW-OAHLLOKOSA-N 354.498 4.876 0 40 FJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1 408562264 ONBRVMBOYYXRMH-DQRAZIAOSA-N 350.487 4.903 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)CSc1ccc(F)cc1 409178768 NEYPSWHJGTUGHR-UHFFFAOYSA-N 368.271 4.936 0 40 FJAB CC1=CC[C@H](OC(=O)c2ccc(O)cc2)C(C)=C[C@H](O)C(C)(C)CCC1 1613892354 JDZBITULCWBIMC-PMACEKPBSA-N 358.478 4.771 0 40 FJAB biogenic O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(C2CCCCC2)cc1 1615570078 QUMRFRSXELQNES-UHFFFAOYSA-N 365.882 4.894 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1C 724722 BLDHTSMWRRMJQH-OAHLLOKOSA-N 370.518 4.709 0 40 FJAB CCOc1ccc2nc(SCC(=O)c3ccc(OC)cc3)sc2c1 811263 LTIWVXWIMSYPFR-UHFFFAOYSA-N 359.472 4.679 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCc2ccccc21 1340006 GFKQKXRLVOTEOM-UHFFFAOYSA-N 362.498 4.787 0 40 FJAB FC(F)(F)c1cc(-n2cnc(Cl)c2Cl)cc(C(F)(F)F)n1 2380505 AOZAAMMSSBUPSG-UHFFFAOYSA-N 350.049 4.612 0 40 FJAB CCCCCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2418406 HLRFTQCBSOKIFU-UHFFFAOYSA-N 368.481 4.560 0 40 FJAB COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccccc1)NCC2 3847353 BXRDOICCYVPWDR-QFIPXVFZSA-N 359.469 4.704 0 40 FJAB biogenic CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCCC[C@@H]1c1cccnc1 3999852 QCKWAKZEHJRBJF-FMKPAKJESA-N 353.293 4.726 0 40 FJAB biogenic COc1ccc2nc(NC(=O)CCSc3ccc(F)cc3)sc2c1 4496799 RZLMXMWABOFROV-UHFFFAOYSA-N 362.451 4.565 0 40 FJAB O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)c1ccccc1 4967163 XZCLVXTUMUBCMO-UHFFFAOYSA-N 369.446 4.572 0 40 FJAB C[C@H](CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 5512387 SAKLDYPZJCVFRT-QGZVFWFLSA-N 374.488 4.804 0 40 FJAB CN(C)c1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Cl)cc32)cc1 6135802 LBSXDDIWEZEZAJ-UHFFFAOYSA-N 374.875 4.840 0 40 FJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Cl)cn1 6627296 FJNIVKYYMJNPDK-GORDUTHDSA-N 357.624 4.702 0 40 FJAB O=C(COc1ccccc1Cl)N(Cc1ccco1)Cc1ccccc1F 6747641 VILXGZVUBSKRLZ-UHFFFAOYSA-N 373.811 4.680 0 40 FJAB COC(=O)c1cn([C@H](C)C(=O)Nc2cccc(Cl)c2C)c2ccccc12 6960692 VJXZMSAQTFPDPZ-CYBMUJFWSA-N 370.836 4.589 0 40 FJAB CC(C)Nc1nnc(SCc2ccc(Br)cc2F)s1 7007817 WFNJFUOSEVSOCA-UHFFFAOYSA-N 362.293 4.552 0 40 FJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCCC1 7759647 CQRNLQZMUVMZGU-UHFFFAOYSA-N 361.873 4.709 0 40 FJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1N1CCCC1=O 8312791 SFTWFZQXEGPYSD-UHFFFAOYSA-N 374.440 4.645 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 8491429 SSJZDJXQHNBVST-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB O=C(NCCCn1ccc2ccccc21)c1csc(-c2ccsc2)n1 8720315 NGSVBGHJWVKGOI-UHFFFAOYSA-N 367.499 4.646 0 40 FJAB O=C(NC1CCCCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 9063361 BZODGVIHDTVYIC-UHFFFAOYSA-N 362.945 4.781 0 40 FJAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 9274866 QCVZHBWOYPETSF-UHFFFAOYSA-N 368.607 4.949 0 40 FJAB O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccc(C(F)(F)F)cc1 11693143 FSIWKRPUTIBDMM-UHFFFAOYSA-N 364.298 4.681 0 40 FJAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)n1 19817199 CIGNVDXALIZOGS-LJQANCHMSA-N 374.488 4.624 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccc(Cl)cc1 20030027 JHDAZSISQGXRTE-CYBMUJFWSA-N 367.898 4.512 0 40 FJAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Cl)c(Cl)cc1Cl 22250902 YGRQEQFAVUWJFW-UHFFFAOYSA-N 372.635 4.599 0 40 FJAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 24257196 WVPKQBDNCVNEIG-ZDUSSCGKSA-N 373.378 4.691 0 40 FJAB O=C(CCc1ccccc1)Nc1cnn(Cc2cccc3ccccc23)c1 28220897 ULXMOGABERGGER-UHFFFAOYSA-N 355.441 4.656 0 40 FJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2cccnc2)cc1 28922985 AHMQTLNWHSBCAF-QFIPXVFZSA-N 373.456 4.637 0 40 FJAB COc1ccc(-c2nn3c(Nc4ccc(F)cc4)cc(C)nc3c2C)cc1 40216859 NSIVDBLTCMCXGG-UHFFFAOYSA-N 362.408 4.904 0 40 FJAB Cc1ccccc1OCCn1cc(C=O)c2cc(Br)ccc21 59182101 GKKROYNLXDCLKY-UHFFFAOYSA-N 358.235 4.604 0 40 FJAB Cc1occc1-c1nnc(SCC2(O)CCCCC2)n1-c1ccccc1 65169598 SHLFOQJTXOUZNU-UHFFFAOYSA-N 369.490 4.623 0 40 FJAB O=C(c1ccc(CN2CCSCC2)cc1)c1cc(Cl)cc(Cl)c1 85651301 WZFGJVMEYUJRCC-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB CC(C)(C)OC(=O)N1CCC(CNc2ccccc2Br)CC1 89212573 JJDQUPSYCXCBSR-UHFFFAOYSA-N 369.303 4.508 0 40 FJAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 89548222 XPZDQIAWJZYHEP-UHFFFAOYSA-N 373.453 4.948 0 40 FJAB Cc1cccc(NC(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1C 95454853 UWSZNTOLOXLNSP-GOSISDBHSA-N 354.450 4.508 0 40 FJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4)C3=N)n2)cc1 102722544 HXJVAIPQQAELSK-UHFFFAOYSA-N 363.442 4.585 0 40 FJAB CC1CCN(c2ccc(C(=O)NCC(C)(C)c3ccccc3F)cc2)CC1 141539925 NSCYWAWVXJXZMC-UHFFFAOYSA-N 368.496 4.770 0 40 FJAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(Cl)s1 206667951 LVWWZDGQNDEWQB-UHFFFAOYSA-N 351.840 4.643 0 40 FJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222942392 FNSYTWCNJRJJIV-VQTJNVASSA-N 368.550 4.627 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224450535 AGGLIIHGZMEQKL-UHFFFAOYSA-N 357.450 4.519 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3)o2)cc1 224857371 WALFHNMMYQISPP-UHFFFAOYSA-N 370.836 4.965 0 40 FJAB C[C@@H](Cc1cccc(Br)c1)NCc1cnc2ccccc2c1 727468184 IGYGLTKSDMOBHH-AWEZNQCLSA-N 355.279 4.718 0 40 FJAB Cc1ccc(CCC(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)cc1Cl 1617775596 FZXFOQGDYAPPMJ-JLHGSKIFSA-N 371.908 4.958 0 40 FJAB CCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 1364336 OZPNZBXRHJDWIJ-UHFFFAOYSA-N 361.854 4.577 0 40 FJAB COc1ccc(-c2csc(NC(=O)c3ccc4ncsc4c3)n2)cc1 2627158 GGXOUIMMJRIXBU-UHFFFAOYSA-N 367.455 4.681 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 3312498 MULZQSPYFRQUOV-UHFFFAOYSA-N 363.388 4.860 0 40 FJAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)c2ccccc2)cc1 4103698 UPMZVTJJGNOHFR-QHCPKHFHSA-N 370.452 4.995 0 40 FJAB O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1 4111646 ZGMWTFYPCGMYNJ-UHFFFAOYSA-N 363.804 4.719 0 40 FJAB CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OCC)cc12 4115864 SWCHFHRPTKNMSN-UHFFFAOYSA-N 351.446 4.768 0 40 FJAB Cc1cccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCCO4)n12 4733643 WYKVVQMXYSKINM-UHFFFAOYSA-N 357.413 4.825 0 40 FJAB COCc1c(C(=O)OCc2nc3ccccc3s2)oc2ccccc12 5199095 VVNPBHLJCKBNJK-UHFFFAOYSA-N 353.399 4.546 0 40 FJAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1cc(Cl)ccc1Cl 5511661 FPAGZNGMOORXLI-UHFFFAOYSA-N 373.239 4.515 0 40 FJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 6152909 ACDXPBNOALICSU-UHFFFAOYSA-N 356.809 4.776 0 40 FJAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C)oc2ccc(Br)cc12 6201106 LIMLTVNIRUONRU-IINYFYTJSA-N 350.256 4.812 0 40 FJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c1C 6214150 DODVWIQPHMTMEE-KRWDZBQOSA-N 364.489 4.593 0 40 FJAB Cc1cc(C)cc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1 6737014 KMVGAAQFABPUEF-UHFFFAOYSA-N 363.461 4.713 0 40 FJAB CC(C)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 6786208 BVLPPQJLUJJZMX-HNNXBMFYSA-N 351.903 4.526 0 40 FJAB Cc1ccc(C)c(-n2cnc3c(sc4nc(C(F)F)cc(C)c43)c2=O)c1 6788035 GEYDUPXSTSKQES-UHFFFAOYSA-N 371.412 4.858 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3cccnc3SC)n2)cc1 6790438 YBOZUZPSPPXMHI-UHFFFAOYSA-N 355.488 4.742 0 40 FJAB c1cc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cs1 7858331 JLZMOPQUXVDDJS-UHFFFAOYSA-N 360.533 4.968 0 40 FJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)cc1C 9215607 LPSSUOGKZCSIEF-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB COc1ccc(C)cc1CN(C)C(=O)c1sc(-c2ccsc2)nc1C 9918849 KLNCWRZYLFHFES-UHFFFAOYSA-N 372.515 4.769 0 40 FJAB COc1cc(SC)ccc1C(=O)N1CC[C@H](C)Sc2ccccc21 11055866 QBWSMJSRAAAKAQ-ZDUSSCGKSA-N 359.516 4.948 0 40 FJAB CCc1c(-c2ccccc2)nc2c(c(C)c(C)n2Cc2ccccn2)c1N 12324663 WHISEONVLBXQPT-UHFFFAOYSA-N 356.473 4.908 0 40 FJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1n[nH]c2ccccc12 12520634 FEYLKEQTFJCPHD-UHFFFAOYSA-N 373.256 4.853 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1 12765761 UIRLJOUHLDPFEE-UBIUBJKMSA-N 371.864 4.734 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C)c2)cc1OCC 16317298 ZEXPGOGVBAYJSB-HNNXBMFYSA-N 358.507 4.840 0 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C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(OC(F)(F)F)c1 44017739 IPZHIRRRGLYKMM-SNVBAGLBSA-N 356.369 4.798 0 40 FJAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 44933467 OKVUXVXCOPECPD-KRWDZBQOSA-N 370.924 4.738 0 40 FJAB COc1ccc(Cl)cc1CS[C@H](C)C(=O)Nc1ccccc1OC 45090578 JQYGFEGUIZYVRR-GFCCVEGCSA-N 365.882 4.618 0 40 FJAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1ccc2c(c1)CCO2 65530588 ZKJJKTYTKYSKHX-UHFFFAOYSA-N 363.388 4.592 0 40 FJAB COc1ccccc1C[C@H]1CCCN1Cc1cc(Cl)nc(Cl)c1 70016992 ZSIIOLCRFLSNJD-OAHLLOKOSA-N 351.277 4.604 0 40 FJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 78457876 XFAQCDDDLQBNCV-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)CCc2ccccc2Cl)c1 220016367 YUDTUYZSKFQJKK-UHFFFAOYSA-N 359.897 4.809 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 223978134 IRKIXHXWICYEDP-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(Cl)cc1 225094728 RQFAALHPYKCIQQ-OAQYLSRUSA-N 371.908 4.735 0 40 FJAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 225597423 MACYHVTYEPJZJL-GOSISDBHSA-N 358.526 4.849 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Cl)c2)c1 226356390 NMURLVVMALBNLH-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 408707546 OFVUKPQJYMRYOB-UHFFFAOYSA-N 371.308 4.653 0 40 FJAB CNc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 561144449 IGWZZNBTFZTWBL-UHFFFAOYSA-N 363.442 4.528 0 40 FJAB O=C(NCc1cncc(C2CC2)c1)c1cccc(Oc2ccc(F)cc2)c1 575621221 ZUAJSELYFJMZEQ-UHFFFAOYSA-N 362.404 4.820 0 40 FJAB Cc1ccc(-c2cn3ccccc3[n+]2-c2ccc(Br)cc2)cc1 624170 GQBJTOKEUYOFCP-UHFFFAOYSA-N 364.266 4.954 0 40 FJAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2 670734 KMJLDZFPMQDDHJ-CVEARBPZSA-N 369.486 4.546 0 40 FJAB Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 1326976 KVMUPCCVMJFNJR-UHFFFAOYSA-N 351.475 4.713 0 40 FJAB CC(C)Sc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 1339689 MDFTXCJJNZZISC-JTQLQIEISA-N 358.536 4.842 0 40 FJAB CCCN(C(=O)c1ccccc1C)c1nnc(-c2ccccc2C)s1 1345288 XFFVEXVYTUWVTJ-UHFFFAOYSA-N 351.475 4.879 0 40 FJAB CCOC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CC[C@@H](C)C3 1375662 NNALLJZBKHPJEF-LLVKDONJSA-N 364.536 4.595 0 40 FJAB COc1ccc(-c2cc(-c3cc(C)cc(Br)c3O)no2)cc1 1610305 XCTYDHVGKNVUMM-UHFFFAOYSA-N 360.207 4.794 0 40 FJAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccc(Cl)cc2)N=C2NN=NN21 2214847 SLFPCZJQOSJYPB-AWEZNQCLSA-N 362.195 4.772 0 40 FJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(C(F)(F)F)c1 2655327 BKAYECWWVWOMMS-UHFFFAOYSA-N 368.443 4.624 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1 2723045 GNCGQGXPRPPLNB-UHFFFAOYSA-N 365.502 4.837 0 40 FJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccnc1Cl 3270369 IAUWLTOBHIDCSM-GOSISDBHSA-N 351.789 4.516 0 40 FJAB Cc1c(Cl)cccc1Nc1c(-c2ccc(O)cc2)nc2ncccn12 4734266 FJPIFHGPJVHLED-UHFFFAOYSA-N 350.809 4.807 0 40 FJAB COc1ccccc1-n1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O 4889242 HUIVWFGWTIZEKI-NTCAYCPXSA-N 372.399 4.704 0 40 FJAB C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 6085786 DWGZGXDKJZPKLP-OAHLLOKOSA-N 358.869 4.803 0 40 FJAB Cc1ccc(-c2nnc3n2N=C(C24CC5CC(CC(C5)C2)C4)CS3)cc1 6550325 XJYVWKFXAVTGHX-UHFFFAOYSA-N 364.518 4.780 0 40 FJAB O=C(c1nccc2ccccc12)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180997 VRMVVODKAOTBEN-CTXDPNEZSA-N 360.432 4.925 0 40 FJAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 12608868 ZITYKQIBNAYSJS-GOSISDBHSA-N 358.482 4.639 0 40 FJAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccco3)o2)cc1 12783454 AXSGSLZXOLMOLH-UHFFFAOYSA-N 358.397 4.840 0 40 FJAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 12792571 KJEYVSGMWLBADA-STQMWFEESA-N 363.914 4.527 0 40 FJAB Cc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)c(C)c1 12951280 PIZDTRUXCQTOLX-UHFFFAOYSA-N 367.452 4.844 0 40 FJAB CCN(CC)Cc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1 14185815 ZJROEYHAVZJOSM-UHFFFAOYSA-N 365.304 4.765 0 40 FJAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 14219691 PFMACJUBDZKAKF-HNNXBMFYSA-N 358.290 4.731 0 40 FJAB CCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1nc2ccccc2s1 15479335 BNXDWOJVBFRDDJ-OAHLLOKOSA-N 371.531 4.548 0 40 FJAB Cc1cc(C)n(CCCN(C)Cc2cn(C(C)C)c3cc(F)ccc23)n1 19717656 FFSKCCIEVUEGEL-UHFFFAOYSA-N 356.489 4.697 0 40 FJAB Cc1ccc(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 20038170 ZOUVTEVHJUHDCF-UHFFFAOYSA-N 368.329 4.894 0 40 FJAB COc1ccc(CCNCc2ccc(-c3cccc(Cl)c3)o2)cc1OC 22076581 WKRKDBTZLHNWCW-UHFFFAOYSA-N 371.864 4.950 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235265 CECJIHPWHDVDNN-UHFFFAOYSA-N 373.239 4.507 0 40 FJAB CCC(CC)C(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 32623920 SINIICQVAAODFE-UHFFFAOYSA-N 365.433 4.787 0 40 FJAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3cnccn23)cc1Cl 35616310 YBVFWAZYKYYKIO-UHFFFAOYSA-N 350.809 4.807 0 40 FJAB COc1ccc([C@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 38566829 JEKSXYGYWRXNND-AWEZNQCLSA-N 364.367 4.735 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 44847750 ZQBUDBAZRGYIJE-CYBMUJFWSA-N 351.874 4.898 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCCOc2ccccc2)cc1 44904117 ICEBLAZGMQOMNC-OAQYLSRUSA-N 355.478 4.758 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H]1C1CCCC1 56034616 DABSWBCYJCOIDP-OAHLLOKOSA-N 372.490 4.697 0 40 FJAB Cc1ccc(-c2nc(C(=O)N[C@H]3CCOc4ccccc43)cs2)c(C)c1 63901195 ZSDWEHWHFKKBPI-KRWDZBQOSA-N 364.470 4.681 0 40 FJAB CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215727 OCCFIILAKZILJW-SFHVURJKSA-N 359.514 4.923 0 40 FJAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2c(Cl)cccc2Cl)C1 72404713 AXCMLOQGULMBFN-NSHDSACASA-N 362.216 4.955 0 40 FJAB CC(C)(C)[C@H](NCCc1nnc2n1CCCCC2)c1cc2ccccc2o1 97049256 QWSFVUGUVVJQFH-OAQYLSRUSA-N 366.509 4.670 0 40 FJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)cc(F)c21 101061476 JUTYOGNFQCHCSZ-CYVLTUHYSA-N 372.849 4.847 0 40 FJAB O=C(c1ncc(-c2ccccc2)o1)N(Cc1ccccc1)c1ccccn1 206585262 QGJDGKYRJZHGSH-UHFFFAOYSA-N 355.397 4.584 0 40 FJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1cc2ccccc2o1 207964662 WLXFKEUURGITGX-SFHVURJKSA-N 369.467 4.568 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 219069159 OBYOVNKPXKHQQQ-LJQANCHMSA-N 369.505 4.607 0 40 FJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NC1CCCCCCC1 219464541 VYSWEYTUFOAJJP-UHFFFAOYSA-N 364.489 4.809 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccco2)c1 223133083 VJWIKCQARRPYRL-INIZCTEOSA-N 361.507 4.528 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c1 224223553 RGUUTIULGHIXIA-MOPGFXCFSA-N 365.527 4.937 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc(C)c1Cl 224916557 UNRSUDFDPIFERX-INIZCTEOSA-N 372.896 4.963 0 40 FJAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 225523688 NVXAQUPLQHMHMT-UHFFFAOYSA-N 352.862 4.753 0 40 FJAB Cc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3C)n2)c1 225813616 SBZXQHZXAJQZNK-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc5ccccc45)OCC[C@@]31C2 257244444 ILHZGPSPZYBISE-MJKJRQGXSA-N 363.501 4.858 0 40 FJAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2c[nH]c3ccccc23)n1 257255507 KHTJDZWTYBGSGP-HXUWFJFHSA-N 373.460 4.567 0 40 FJAB O=C(c1cc(O)nc2ccccc12)N1CCCC[C@H]1c1ccc(F)cc1F 622451652 NYHQFIAGHCSZOE-IBGZPJMESA-N 368.383 4.586 0 40 FJAB CC(C)CC(CC(C)C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 1170984445 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CCc1ccc([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 11052839 AHTCHFMCCFZFAG-JKSUJKDBSA-N 365.473 4.504 0 40 FJAB COc1ccc(C)cc1NC(=O)CSCc1csc(-c2ccco2)n1 12952566 GTQFGUFCVNXICK-UHFFFAOYSA-N 374.487 4.592 0 40 FJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)c(Cl)c1 13099060 UBMXIZJTEHOOPI-XVNBXDOJSA-N 364.228 4.807 0 40 FJAB CCCn1c(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)nc2ccccc21 14093007 SOSADFYHCBINLV-ZBFHGGJFSA-N 351.450 4.734 0 40 FJAB O=C(CCOc1ccccc1)Nc1nc(-c2ccccc2Cl)cs1 14375742 NZKABEMHVLRFHJ-UHFFFAOYSA-N 358.850 4.871 0 40 FJAB CC(C)=CCC[C@@](C)(O)[C@@H]1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1 14611867 GZLIPAFSJXROEC-SIKLNZKXSA-N 358.478 4.694 0 40 FJAB biogenic,in-vitro Fc1ccc(-n2ncc3c(Nc4cccc(C(F)(F)F)c4)ncnc32)cc1 17155282 PGGKCJGVHUHCEP-UHFFFAOYSA-N 373.313 4.717 0 40 FJAB O=C1CS[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1nccs1 19927206 VULDTWWNVUAUBM-SFHVURJKSA-N 368.483 4.501 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20042852 QXFCOJCDQNLDGF-IBGZPJMESA-N 369.505 4.527 0 40 FJAB Cc1cc(C(=O)Nc2ccccc2-c2cccs2)c2c(C)nn(C)c2n1 25075822 OUMRLKRXBUKCLZ-UHFFFAOYSA-N 362.458 4.566 0 40 FJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc(F)c(Cl)c1 26142198 RTHXAJPLYDMJCQ-GFCCVEGCSA-N 361.800 4.824 0 40 FJAB Cc1c(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)oc2ccccc12 28250950 XSLXUOVBWDKUDO-KRWDZBQOSA-N 367.420 4.702 0 40 FJAB Cc1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)no1 29112686 SHYPQZSFVYPIGN-UHFFFAOYSA-N 351.431 4.615 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 30117187 FIRBEPZVQHBNQW-ZDUSSCGKSA-N 351.368 4.524 0 40 FJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NC1CCCCC1 31423614 AHIRBYULNHACFU-UHFFFAOYSA-N 364.898 4.677 0 40 FJAB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1 35040503 DMHWXSPWGRPEBX-CXUHLZMHSA-N 373.886 4.948 0 40 FJAB O=C1C[C@@H](c2ccccc2Cl)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143189 DMQYUOOVUIVMER-ZDUSSCGKSA-N 358.228 4.858 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 40868531 MAUDDQQPBDEFBD-UHFFFAOYSA-N 359.469 4.896 0 40 FJAB COc1ccc(-c2nnc(S[C@H](C)CCc3ccccc3)o2)cc1OC 48354575 XBGKTNOMPXQHAW-CQSZACIVSA-N 370.474 4.867 0 40 FJAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)n[nH]2)cc1 51315833 KVKYCQVULNPCEG-UHFFFAOYSA-N 363.461 4.529 0 40 FJAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F 56103145 VQLWHRXNSRKDAS-KGLIPLIRSA-N 369.362 4.627 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Br)cn1 59477531 CESPEUMPSACWRW-DHZHZOJOSA-N 369.218 4.756 0 40 FJAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)ccc1O 71286478 FOLNSVJTNVPAFL-QGZVFWFLSA-N 373.478 4.694 0 40 FJAB NC(=S)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 72284119 CSAPMKYQAVPALI-UHFFFAOYSA-N 374.465 4.682 0 40 FJAB COc1ccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c2ccccc12 83937432 VXARLCWIAOFECJ-LJQANCHMSA-N 365.404 4.631 0 40 FJAB COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccccc2C)cc1OC 84234485 FDQCJDGLLGHEAC-LJQANCHMSA-N 367.489 4.640 0 40 FJAB C[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C[C@H](c2ccccc2)O1 84713984 MBQLUKQRZNGHAV-WZONZLPQSA-N 374.484 4.603 0 40 FJAB OC1=Nc2ncn(-c3cccc(Cl)c3)c2[C@@H](c2cccc(O)c2)SC1 95479767 FUPISEMABJBLMD-QGZVFWFLSA-N 371.849 4.656 0 40 FJAB C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 222655425 FAIRSJUNMNASBT-MZTACXPWSA-N 365.473 4.646 0 40 FJAB COc1ccc(OC)c(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225322451 JSDPVMHDINZWRX-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB Cc1ccccc1-c1noc(CCC(=O)Nc2cccc3ccccc23)n1 225815462 IQQYGSMKVSUYCP-UHFFFAOYSA-N 357.413 4.770 0 40 FJAB NNc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 226309242 ZIYOLUPAFKCDPX-UHFFFAOYSA-N 360.442 4.501 0 40 FJAB Cc1ccc(OCCCC(=O)NCCSc2ccc(Cl)cc2)cc1 408705460 GJOBFMTXANQNGG-UHFFFAOYSA-N 363.910 4.716 0 40 FJAB CCOc1cc(CNc2cc(C)ccc2C)cc(Br)c1O 409118968 QTQCWXUGBAJORV-UHFFFAOYSA-N 350.256 4.782 0 40 FJAB Cc1nnc(-c2cccc(N[C@H]3CCN(Cc4ccccc4)C4(CC4)C3)c2)o1 567870146 UIVXDDULJPIBRX-NRFANRHFSA-N 374.488 4.654 0 40 FJAB O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCc2ccc(Cl)cc21 1312064749 PFIRXBGAMNJSJJ-IEBWSBKVSA-N 354.881 4.824 0 40 FJAB COc1ccc2nc(NC(=O)c3c(Cl)cccc3Cl)sc2c1 892760 ZEDBRFIBCCEQHD-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3)c2C)cc1 944600 BEPDVFMIIHMDBF-UHFFFAOYSA-N 352.459 4.679 0 40 FJAB CC(C)(C)C(=O)Nc1c(Cl)cc(Br)cc1Br 1560697 LHWQRFVLIYYPJD-UHFFFAOYSA-N 369.484 4.850 0 40 FJAB O=C(O)c1ccccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2451695 KWZXBGKOCKINFG-UHFFFAOYSA-N 374.421 4.914 0 40 FJAB COc1ccc(COC(=O)N/C=C/c2ccc(Cl)cc2Cl)cc1 3105743 UVJAJYUDFXFTPD-CMDGGOBGSA-N 352.217 4.899 0 40 FJAB O=C1/C(=C\Nc2ccccc2)c2ccccc2C(=O)N1c1ccccc1Cl 3273785 LKFBDYPHRWJPGE-JXAWBTAJSA-N 374.827 4.980 0 40 FJAB CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1cccc(Cl)c1Cl 3421806 SLGRBFCKORCFRW-UHFFFAOYSA-N 363.288 4.553 0 40 FJAB COc1ccccc1[C@@]1(CCNCc2ccccc2)CCO[C@H](C(C)C)C1 4043894 MCHNBXKKQKBCSE-ZEQRLZLVSA-N 367.533 4.948 0 40 FJAB biogenic FC(F)(F)c1ccc(-c2nnc(SCCOc3ccccc3)o2)cc1 4050240 DDARNMYHGWDDDN-UHFFFAOYSA-N 366.364 4.927 0 40 FJAB Cc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCCC2)cc1 4065792 HSKADMMBVBXJII-UHFFFAOYSA-N 367.884 4.896 0 40 FJAB Cc1ccccc1-c1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4079063 NHJORDATAPKHNZ-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB COc1ccc(-n2c(/C=C/c3cccc(C)c3)nc3ccccc3c2=O)cc1 4122435 NLVSXPLCOJDWSN-XNTDXEJSSA-N 368.436 4.873 0 40 FJAB CC(=O)n1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c2ccccc21 4539903 SINKNVZTWHDJCE-ZHACJKMWSA-N 356.381 4.718 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccccc1F 4854260 HCSSBTSKPIECFL-IBGZPJMESA-N 369.827 4.918 0 40 FJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 5274714 KBESGDBXEBSDDF-PIGZYNQJSA-N 358.482 4.892 0 40 FJAB Cc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc(Cl)cc1Cl)CC3 5321614 PFHBWTGVIUMCOP-UHFFFAOYSA-N 372.255 4.558 0 40 FJAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(C(C)(C)C)cc1 6097773 ZIZCKWXSYIACTO-AWEZNQCLSA-N 357.523 4.666 0 40 FJAB Cc1ccc(NC(=O)CSCc2ccc(Br)cc2)c(C)c1 6281795 OXNXRBRDLZMVAA-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB Cc1cccc(C)c1NC(=O)Cn1ccc2cc(Br)ccc21 6391388 MLHGGMWPOQAQSY-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB C[C@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccc(F)cc4)c(=O)c23)C1 6511846 SIVBMMMSNCBXFO-NSHDSACASA-N 374.506 4.627 0 40 FJAB CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OCC 6756546 WSBBMLDUQJAOEK-UHFFFAOYSA-N 352.434 4.834 0 40 FJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 7596912 ANPSQFMUUBULGJ-PZJWPPBQSA-N 362.454 4.999 0 40 FJAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)c1 7615827 BXBQQJAXJXJHMX-HNNXBMFYSA-N 367.836 4.527 0 40 FJAB Cc1cccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c1 9225396 MGOJIOAWMTZOHJ-IBGZPJMESA-N 367.452 4.926 0 40 FJAB COc1ccc(OC)c(-c2ccc(SCc3ccccc3C)nn2)c1 10507217 ODJQFWJHSAQIMT-UHFFFAOYSA-N 352.459 4.762 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(Cl)c1 12770484 BTFPVPKJPRAJIT-LLVKDONJSA-N 357.866 4.658 0 40 FJAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2C1 13988231 NKLMJLXLTVJOCH-HOTGVXAUSA-N 373.452 4.788 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(C(F)(F)F)cc1 15581963 JQUUWAIYNYUYMJ-UHFFFAOYSA-N 373.422 4.857 0 40 FJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)C3CCCC3)c2)cc1 19691331 CQSHVMKGLVGIBC-JOCHJYFZSA-N 364.489 4.919 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c1C 20456131 RMJZBUYHNOQBKF-LJQANCHMSA-N 369.461 4.585 0 40 FJAB CCSc1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 20458840 ORDFCSDFRHNFAE-UHFFFAOYSA-N 363.504 4.547 0 40 FJAB O=C(NCc1cc(-c2ccccc2)on1)C(c1ccccc1)c1ccccc1 21010027 GXIWASJTCGZGPX-UHFFFAOYSA-N 368.436 4.790 0 40 FJAB COc1ccccc1CNc1ncccc1C(=O)Nc1c(C)cccc1C 22073126 GSXJOIHQPKAWNW-UHFFFAOYSA-N 361.445 4.571 0 40 FJAB CCCc1nc2ccc(NC(=O)COc3c(C)cccc3C)cc2s1 22254868 OWFVWQUZYWEWQE-UHFFFAOYSA-N 354.475 4.883 0 40 FJAB COc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 22776721 JTPANBOUNKKHGC-NSHDSACASA-N 370.276 4.870 0 40 FJAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@@H](C)c3ccccc3F)c(C)c12 22990599 RNIURHSIKUYLLV-NSHDSACASA-N 369.465 4.816 0 40 FJAB Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc23)N2CCCC2)cc1 27994293 FVHDMDAJRMWDMM-DEOSSOPVSA-N 372.512 4.644 0 40 FJAB COc1cc(CSc2nc3ccccc3nc2C)ccc1OC(F)F 28191313 LAYRJIAIHYFKAA-UHFFFAOYSA-N 362.401 4.841 0 40 FJAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 32883703 FCVMTURORSSXGX-OPAMFIHVSA-N 364.489 4.890 0 40 FJAB CC(=O)Nc1ccc(OC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)cc1 32988080 GOWKYCGYCPLOFA-CQSZACIVSA-N 374.440 4.537 0 40 FJAB C[C@H]1c2cc(Cl)ccc2O[C@H]2c3ccc(Br)cc3C(=O)N12 35324812 ZMEWLWRKVJSCKJ-PWJLMRLQSA-N 364.626 4.711 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 40096687 YJAPURXFAJBZGU-SNVBAGLBSA-N 366.248 4.835 0 40 FJAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc2[nH]ccc2c1 40312623 VVLOURGTUCOGJF-UHFFFAOYSA-N 368.234 4.524 0 40 FJAB biogenic Brc1ccc(OCCC2CCNCC2)c(-c2ccccc2)c1 42770674 QVRCWAVIZZTOJF-UHFFFAOYSA-N 360.295 4.885 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44933554 GDTNVMDIOZZKDY-OALUTQOASA-N 350.506 4.718 0 40 FJAB Cc1ccc2nc(-c3cccc(I)c3)sc2c1 45923451 UZINPKVKIOSUBI-UHFFFAOYSA-N 351.212 4.876 0 40 FJAB COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1Cl 57412375 GCTFZSPLIROCIM-UHFFFAOYSA-N 362.216 4.644 0 40 FJAB NC1=N[C@H]([C@H](O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)S1 59500971 MTLLXUNOCJBIAC-NJDAHSKKSA-N 360.482 4.558 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357745 PTDBSZXTELUTSN-QHCPKHFHSA-N 374.459 4.718 0 40 FJAB Fc1ccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)cc1 72358511 UMYJFGOBFSEWRI-FQEVSTJZSA-N 361.464 4.705 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1N1CCCCC1 75138199 ULTGWXLCRHYSCQ-UHFFFAOYSA-N 365.502 4.559 0 40 FJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NC(c1ccccc1)c1ccccc1)CC2=O 100931839 RLVRPDWBTNFNJU-ZEQRLZLVSA-N 361.485 4.678 0 40 FJAB COc1cc([C@@H]2C3=C(O)CCCC3=Nc3onc(C(C)(C)C)c32)ccc1O 102750583 SQMGBWKNYBHVJT-MRXNPFEDSA-N 368.433 4.900 0 40 FJAB CCOC1(OCC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1CC=C[C@@H]12 104107493 KGFLNQYTPLJOAL-VDUILEQBSA-N 358.092 4.620 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 113943092 CJBJPHVOFYHHPM-KRWDZBQOSA-N 369.505 4.855 0 40 FJAB Cc1ccc(CN2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)cc1 222799759 QCYJMRAWOQVSBH-UHFFFAOYSA-N 372.512 4.677 0 40 FJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)cc(Cl)c4)cn1c23 223095255 SSYZUWATCZYJIO-JTQLQIEISA-N 373.239 4.678 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1Cl 223967852 CIPBJNILIFYVRI-UHFFFAOYSA-N 359.853 4.705 0 40 FJAB Cc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)n1 224005531 DBWGIFLIMDIQAM-UHFFFAOYSA-N 357.498 4.718 0 40 FJAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927167 JBKPHYUIGGVAMH-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NCCSCc2ccccc2)c1 225289343 LKHSUEXBYJPOOP-UHFFFAOYSA-N 370.465 4.925 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 225562490 UOEZFANWNZCLBR-GOSISDBHSA-N 369.505 4.989 0 40 FJAB Cc1cccc([C@@H](NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2)c1 225598746 VZCZYKMFNIJGKM-NRFANRHFSA-N 369.461 4.510 0 40 FJAB CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679032 CLDKKHCWVIDNJA-GOSISDBHSA-N 370.518 4.983 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 408650439 BFPABQHQUUDQHD-MSOLQXFVSA-N 365.473 4.775 0 40 FJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409010418 DUWLFWGMMGZLMN-BTAWCLGRSA-N 353.871 4.962 0 40 FJAB O=C(NCCc1ccc2[nH]ccc2c1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 555193238 CPSAQSNRTNRLMO-KOUNCHBCSA-N 373.500 4.831 0 40 FJAB COc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)c(C(C)=O)c(C)c3)C2)cc1 1208671040 SOVRGEIZPBJZBM-GOSISDBHSA-N 366.461 4.536 0 40 FJAB COc1ccc(-c2cc(-c3nnc(CC4CC4)o3)nn2-c2ccccc2)cc1 1327293999 NRDACUNYOVJRDR-UHFFFAOYSA-N 372.428 4.550 0 40 FJAB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cccc(Cl)c3)nn12 829511 YAVBNABJGDUAQQ-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB CC(C)(C)c1ccc(Cn2c(-c3ccc[nH]c3=O)nc3ccccc32)cc1 1386104 DPLKPKNESWBSJJ-UHFFFAOYSA-N 357.457 4.737 0 40 FJAB O=C(COc1ccc(-c2ccccc2)cc1)NCCc1c[nH]c2ccccc12 1456754 ACFWYZWKZFGUJE-UHFFFAOYSA-N 370.452 4.573 0 40 FJAB c1ccc(CCn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2251681 JSFFUOHNRZKPNG-UHFFFAOYSA-N 350.425 4.889 0 40 FJAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NC(C)(C)C)CCCC3)c1 2290616 WTBWMKJDKUXKBY-UHFFFAOYSA-N 370.518 4.716 0 40 FJAB O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1ccccc1 2806531 VNJQRXAIQMRJMB-UHFFFAOYSA-N 355.850 4.528 0 40 FJAB Cc1ccc(C(=O)N[C@@H](Nc2ccccc2)C(Cl)(Cl)Cl)cc1 3150353 OLQFFUAATKNTFN-OAHLLOKOSA-N 357.668 4.533 0 40 FJAB CCOc1ccc2nc(SCC(=O)N(C)C3CCCCC3)sc2c1 3247758 BHYYBLBUANNUKS-UHFFFAOYSA-N 364.536 4.578 0 40 FJAB O=C(CSc1nnc(Nc2ccccc2)s1)c1ccc(Cl)s1 3370177 XOVUTVRHYVPMJQ-UHFFFAOYSA-N 367.908 4.972 0 40 FJAB Cc1csc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 3407008 JZZCNVIKRQIAHC-UHFFFAOYSA-N 370.499 4.761 0 40 FJAB CCCSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 3563727 IEVLPCUPHBBFJZ-UHFFFAOYSA-N 360.866 4.550 0 40 FJAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC 4028147 ITRBVGLWLFOKTQ-DQUZTPNMSA-N 352.515 4.593 0 40 FJAB biogenic CCCCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12 4162475 YRRXQRATURCCIM-UHFFFAOYSA-N 366.417 4.822 0 40 FJAB Cc1cc(Br)ccc1OC(=O)COc1ccc2ccccc2c1 4615776 CBZPTFGEMYWCOM-UHFFFAOYSA-N 371.230 4.895 0 40 FJAB Cc1ccc(C)c(C2=Nn3c(C[C@@H](C)c4ccccc4)nnc3SC2)c1 5883482 ABLKDIIUNGKMML-MRXNPFEDSA-N 362.502 4.599 0 40 FJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1C 6627627 AOFWWXYLGBJETF-UHFFFAOYSA-N 374.440 4.843 0 40 FJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cccn2)cc1 6647206 VYSNZPJEZKVOJY-UHFFFAOYSA-N 355.397 4.917 0 40 FJAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 7071362 LLFQSTKLFHHAQH-RNEAKCBISA-N 370.836 4.615 0 40 FJAB Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 7194224 OXLQPPSEKNGFMK-CYBMUJFWSA-N 357.504 4.541 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(F)c(Cl)c2)c1C 7819576 MAAYBRJVQYBKFZ-NSHDSACASA-N 353.846 4.990 0 40 FJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Cl 7908704 GXUUUQXTEITXKM-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)Oc3ccccc3)ccc1O2 9134925 WUVGRQOVJKPVOI-UHFFFAOYSA-N 360.369 4.964 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccccc3)s2)cc1 9346992 VRSJDXADWSTNHF-ZDUSSCGKSA-N 355.488 4.633 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)c1 9535212 GWVPSRYSOLVOOL-XYOKQWHBSA-N 369.461 4.662 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(CC)cc2)cc1 10358521 XWQVJDVZMDSZGB-UHFFFAOYSA-N 353.462 4.777 0 40 FJAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 11767719 CUECSYMRXBGINZ-SANMLTNESA-N 365.454 4.610 0 40 FJAB Cc1cccc(Nc2nnc(SCc3cn4ccccc4n3)s2)c1 12659208 DZQDYEIEHBKIAG-UHFFFAOYSA-N 353.476 4.530 0 40 FJAB O=C(Nc1ccc(Br)cc1)c1occc1COc1ccccc1 12763454 AWSSGRLNWXHZOS-UHFFFAOYSA-N 372.218 4.873 0 40 FJAB O=C(CCCc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 13843306 RVJQMCBGWYZVOA-UHFFFAOYSA-N 373.412 4.958 0 40 FJAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 14001094 RYQCVTCNMJKNAP-OUKQBFOZSA-N 368.864 4.618 0 40 FJAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)cc1 15670008 RVPJQLHXQKSCHP-AWEZNQCLSA-N 369.852 4.508 0 40 FJAB CCn1c(C2CC2)nn(CN(C)Cc2ccc(C(C)(C)C)cc2)c1=S 16842096 NICRVHABSHPBOR-UHFFFAOYSA-N 358.555 4.698 0 40 FJAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)n1 19573001 DQCALKQWPQCQPO-KBPBESRZSA-N 359.857 4.728 0 40 FJAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1Cl 21577819 VUMAKLNGYNOOEN-UHFFFAOYSA-N 362.832 4.730 0 40 FJAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCc1ccccc1 23424884 PEYBLGZRXAUDOD-UHFFFAOYSA-N 374.315 4.879 0 40 FJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC=CCC1 23532109 QRWBYSKUGDUGJB-CYBMUJFWSA-N 369.292 4.527 0 40 FJAB COc1ccc(CC(=O)Nc2ccccc2-c2cccs2)c(OC)c1 24780086 WXKKWADUXFIQEL-UHFFFAOYSA-N 353.443 4.614 0 40 FJAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)c3cccc(C)n3)nc2c1 24813464 VRPRIOMFNDOFOQ-UHFFFAOYSA-N 353.491 4.919 0 40 FJAB CCCCCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12 28251845 FCWGVIRMTUBMRZ-UHFFFAOYSA-N 361.507 4.583 0 40 FJAB C[C@@H](NC(=O)c1ccccc1SCC(F)(F)F)c1ccc(F)cc1 32936702 UZQUTYTZQWEKCS-LLVKDONJSA-N 357.372 4.971 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@H](C(F)(F)F)C2)s1 37124297 HOXJJVPNTGWBTC-NSHDSACASA-N 374.453 4.523 0 40 FJAB Cc1nc(NC[C@@H]2CCN(C(C)C)C2)c2c(-c3cccs3)csc2n1 58183239 XQOFBOMYPJCWMF-AWEZNQCLSA-N 372.563 4.870 0 40 FJAB Cc1ccc(C)c(CSC2=NC3(CCN(C)CC3)Nc3ccccc32)c1 67341725 JOJBBXCZJSYYTM-UHFFFAOYSA-N 365.546 4.831 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 70461144 NQYCVJGLULGNDZ-FQEVSTJZSA-N 351.833 4.982 0 40 FJAB C[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccncc1 72055293 MRRLEFOZHBTCLZ-AWEZNQCLSA-N 358.873 4.608 0 40 FJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1=CCCC1 97014848 SVUPYXJYCGEREB-UHFFFAOYSA-N 357.457 4.608 0 40 FJAB C/C(=C\c1ccccc1)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100763439 DGUDXKJGXWCLQR-FGMUOIQGSA-N 351.465 4.744 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cccc(C)c2C)cc1 222820088 JEZRQGCJSJVVPV-HXUWFJFHSA-N 355.478 4.594 0 40 FJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cc(C)cc(C)c2)cc1 222860580 YXJRHGWFCBBNJG-STZFKDTASA-N 374.440 4.614 0 40 FJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 222862697 GPRGLBORFNLPBD-OAQYLSRUSA-N 359.425 4.714 0 40 FJAB Fc1cccc(Cc2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)c1 257298972 RODIEXREHJLNOY-QHCPKHFHSA-N 361.464 4.934 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccn(C4CCCC4)c3)N21 260786455 XEEOABPBRYGBPK-AHRSYUTCSA-N 366.534 4.978 0 40 FJAB O=C(CSc1ccc(F)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408543073 NMQGPYROANYACC-AEFFLSMTSA-N 369.486 4.920 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1OC 408681507 WXUCXPMYPZASBL-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCC(C)C 409057604 HNQMVMGFJWNTKQ-YVLHZVERSA-N 363.479 4.565 0 40 FJAB CCN(Cc1c(F)cccc1F)C(=O)C(C)(C)c1cccc(Cl)c1 605624028 PSCSJKLVVZGMGW-UHFFFAOYSA-N 351.824 4.945 0 40 FJAB O=C(/C=C/c1cccc(OC2CCCC2)c1)OCCCc1ccncc1 727955403 VEFMXZKAKHLSKP-ZHACJKMWSA-N 351.446 4.592 0 40 FJAB CC(C)[C@@H]1CC2(CCN(C3COC3)CC2)CO[C@H]1c1cccc(Cl)c1 1615529376 VILFXGILYIHIRM-PMACEKPBSA-N 363.929 4.555 0 40 FJAB COc1ccc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2c1 917579 SKTSLJMYVPYSAD-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CC(=O)Nc1ccc(C(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 1581056 RARXGCBORVAPMO-UHFFFAOYSA-N 372.468 4.530 0 40 FJAB O=C(C[C@@H](NCc1ccccc1)C(=O)O)c1ccc(C2CCCCC2)cc1 2534566 AVYPZOHVVIYNID-OAQYLSRUSA-N 365.473 4.550 0 40 FJAB c1ccc(CCN(Cc2ccccc2)C2CCN(Cc3ccco3)CC2)cc1 2735045 DYFGDINDZPITID-UHFFFAOYSA-N 374.528 4.989 0 40 FJAB CCn1ncc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)c1C 2777062 OFWWIQVSTMTPRM-UHFFFAOYSA-N 360.457 4.841 0 40 FJAB CC(=O)c1cccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 3405898 PHXOMGHNAWMXRB-UHFFFAOYSA-N 374.440 4.519 0 40 FJAB CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc21 4265104 MEMGYCVZKJMTOW-INIZCTEOSA-N 367.518 4.662 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2 4646468 FXBOBWJPZFPWQV-GUTXKFCHSA-N 361.507 4.567 0 40 FJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@]2(Cl)C1 4896878 HWLOAYIHCDYIQF-WRYGONFVSA-N 366.929 4.891 0 40 FJAB CC(=O)c1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 6297383 UBTJFQGQDLVVTA-UHFFFAOYSA-N 370.808 4.953 0 40 FJAB Cc1cc(C)cc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 6386187 IEJSCAQIDNUAIB-UHFFFAOYSA-N 350.418 4.740 0 40 FJAB Cc1ccc(C)c(NCc2cccc(OCC(=O)Nc3ccccc3)c2)c1 6965553 PKQWFIIOCBMKBW-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB COc1ccccc1-c1nc(-c2ccc(CCCNC(C)=O)cc2)cs1 8428657 NRICJBQJCHZUQY-UHFFFAOYSA-N 366.486 4.554 0 40 FJAB O=C(CN(C1=NCCCCC1)c1ccccc1)c1ccc(OC(F)F)cc1 8436119 RCUQOXBHKSVWOK-UHFFFAOYSA-N 372.415 4.950 0 40 FJAB Cc1ccc(-c2nnc3sc(-c4ccccc4Br)nn23)cc1 8706347 WMBICKBPRZEOEM-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB COc1ccccc1CN(Cc1cccs1)C(=O)/C=C/c1ccco1 8719189 MNTFFQSDSGDKOI-ZHACJKMWSA-N 353.443 4.592 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c1 8719821 QRRJRADNOFWVAC-INIZCTEOSA-N 365.502 4.737 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1 9062963 KNVAFQKXNGGPBO-UHFFFAOYSA-N 366.505 4.633 0 40 FJAB S=C(NNc1ccnc2cc(Cl)ccc12)Nc1ccc(Cl)cc1 12531058 WNMQTTBNNOIKQB-UHFFFAOYSA-N 363.273 4.855 0 40 FJAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 12538837 WNJXOTJUVXDSMR-INIZCTEOSA-N 367.880 4.555 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1 12922674 BCRSFKBKVLLOKI-UHFFFAOYSA-N 369.848 4.943 0 40 FJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1O 12952601 NSNFPCQGXWGWCG-UHFFFAOYSA-N 363.200 4.915 0 40 FJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)cc1 12972985 FCUQKMZKDXUYGC-CYBMUJFWSA-N 372.827 4.944 0 40 FJAB C/C=C/c1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC 12988875 YEPRMHTVHIHHGS-LHRNQBEKSA-N 365.429 4.974 0 40 FJAB Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 14240736 BQFUDNVVTPCQEM-QGZVFWFLSA-N 374.440 4.544 0 40 FJAB O=C1C[C@@H](c2ccccc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15081544 WHLBRBOSQUMXHJ-ZDUSSCGKSA-N 367.401 4.727 0 40 FJAB CCCOc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832512 OOCIQQLAAOXXLT-UHFFFAOYSA-N 366.486 4.837 0 40 FJAB CC(=O)N[C@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 15963713 ZVNSVGWQWFPEFX-OAQYLSRUSA-N 374.440 4.685 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 20049219 SNGZMXSMZIDRRS-QZTJIDSGSA-N 355.478 4.655 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 20482055 IJHRUFMWQNBLOL-LJQANCHMSA-N 369.461 4.748 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 24830086 AOUUVOSFWLEIMW-OAQYLSRUSA-N 366.436 4.845 0 40 FJAB CCN(CC)CCNCc1cn(Cc2ccccc2Cl)c2ccccc12 28428334 PGBDZRXTXIQVMK-UHFFFAOYSA-N 369.940 4.774 0 40 FJAB CC(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)OCO3)C2CC2)cc1 32869824 UFDPOFOJHQOGPK-UHFFFAOYSA-N 352.434 4.735 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC(C)C)cc1 44946293 STIRDPJATXSHQJ-FQEVSTJZSA-N 355.478 4.564 0 40 FJAB CCc1ccc(O)c(C(=O)[C@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)c1 57339428 BBOLQWDXKSUVQF-JOCHJYFZSA-N 371.436 4.847 0 40 FJAB CCOc1ccc(Cl)c(C(=O)N(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1 60306563 QYJUBSHUUYRQAY-ZDUSSCGKSA-N 374.868 4.588 0 40 FJAB O=c1c2ccccc2[nH]c(=S)n1[C@H]1CCCc2cc(OC(F)F)ccc21 69630241 OPQSUJDSBXPIDB-INIZCTEOSA-N 374.412 4.586 0 40 FJAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 75244736 WNBLIUAFFNWHMZ-UHFFFAOYSA-N 359.469 4.911 0 40 FJAB c1ccc2c(CNCCC3CCN(c4ccncc4)CC3)csc2c1 95462170 ZJUUBNUXOIHUHD-UHFFFAOYSA-N 351.519 4.693 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2c(C)ccc(C)c2O)cc1 100684225 DKMWFYZSHLZMOI-NRFANRHFSA-N 371.436 4.902 0 40 FJAB COc1ccc2c(c1)c(C(=O)CN1C[C@@]3(C)C[C@H]1CC(C)(C)C3)c(C)n2C 100743864 NPEAVBVVTBDHLM-MWTRTKDXSA-N 368.521 4.579 0 40 FJAB biogenic C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219057359 IRGWNKOQMZLQHQ-CZUORRHYSA-N 359.853 4.526 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219294175 OIMJRGPOMHFMPD-MRXNPFEDSA-N 353.462 4.976 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 219529253 KOCNNWMZKGPQCC-SFHVURJKSA-N 373.452 4.940 0 40 FJAB Cc1ccc(N2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 219860843 OVGBTXKPZTUEGQ-UHFFFAOYSA-N 370.924 4.614 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)NCc2ccc3ccccc3c2)CC1 222799572 FQBYYOMUVONEMJ-UHFFFAOYSA-N 372.512 4.677 0 40 FJAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(Cl)cc1 224161140 RXTQOUTUCSECBH-UHFFFAOYSA-N 373.880 4.800 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1C 224256031 MLYYNAWKHPAEFU-MOPGFXCFSA-N 365.527 4.937 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224611296 AACHHBWXTIUIOZ-GOSISDBHSA-N 369.505 4.563 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224877927 SBRRJKRWMDEFBA-CYBMUJFWSA-N 353.340 4.608 0 40 FJAB CC(C)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225270513 WCAXMATXDIGFRZ-UHFFFAOYSA-N 354.519 4.910 0 40 FJAB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C(C)(C)C)cc1 225328099 BRJZXHBBJQTVOC-SFHVURJKSA-N 365.517 4.910 0 40 FJAB Cc1nc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc2n1C 225894440 CKZAFHCCWVCXRD-UHFFFAOYSA-N 357.413 4.926 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccccc1OC 226093241 KUYWPAPZYBFFGE-UHFFFAOYSA-N 362.267 4.835 0 40 FJAB Nc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCCC1 226267092 CNOPVGCIKUNTJI-UHFFFAOYSA-N 364.276 4.818 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 226267424 WLUUIQWYNSTBKM-MRXNPFEDSA-N 367.493 4.689 0 40 FJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257315938 VDJSYLUAWVNHSM-YBLNHRRYSA-N 353.865 4.640 0 40 FJAB CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(F)cc1 408564482 YRIKSHYJBDGRNU-ZZEZOPTASA-N 360.479 4.741 0 40 FJAB Clc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1 409096685 DVXJCLXKGOZUNA-UHFFFAOYSA-N 365.849 4.529 0 40 FJAB COCc1cc(C)nc2sc(C(=O)Nc3c(C)cc(C)cc3C)c(N)c12 409374524 RVBXCNDWFCADBF-UHFFFAOYSA-N 369.490 4.511 0 40 FJAB CCN(C1CCCCC1)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615192369 UZAKSHADRMXBDK-JOCHJYFZSA-N 356.554 4.859 0 40 FJAB CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(OC)cc3)n2)s1 853333 ZVQZNTOSXURDEZ-UHFFFAOYSA-N 374.491 4.676 0 40 FJAB CCOC(=O)c1oc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N 1035473 WFOYGQJCCSODBA-UHFFFAOYSA-N 364.426 4.982 0 40 FJAB Cc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1C 1358372 PISQMLOMNUOCMK-MRXNPFEDSA-N 364.518 4.756 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C)c1-c1ccccc1 1465575 ACYMECDFPBPSIP-UHFFFAOYSA-N 369.417 4.902 0 40 FJAB O=C(Nc1cccc2ccccc12)c1cc2c(cc1Br)OCO2 1566093 NHOCPVFXVFBLNN-UHFFFAOYSA-N 370.202 4.583 0 40 FJAB CSc1nc2c(c(=O)n1C)[C@](C)(C1CCCCC1)Cc1ccccc1-2 2296585 QRTXIKWGXLGAAS-NRFANRHFSA-N 354.519 4.563 0 40 FJAB CCOc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 2581727 HQXGATHQZYDMKR-UHFFFAOYSA-N 359.219 4.930 0 40 FJAB biogenic O=C(COc1ccccc1)Nc1nc2c(Cl)ccc(Cl)c2s1 2713988 UKDNDDLHOHLMGV-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 3072848 UYDONDRWLVYWGG-INIZCTEOSA-N 370.880 4.674 0 40 FJAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2cc(F)c(F)c(F)c2F)cc1 3336691 XSAMSRQFECFEBE-LLVKDONJSA-N 353.359 4.933 0 40 FJAB Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1Cc1cccs1 3360296 LRUMJXCABFAKOD-HNNXBMFYSA-N 373.547 4.929 0 40 FJAB O=C1/C(=C\c2ccc(Cl)cc2)NC(c2ccccc2)=NN1c1ccccc1 4474153 RBZFAEQOAZYDGO-HMMYKYKNSA-N 373.843 4.679 0 40 FJAB CCCCNC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc12 4895084 RWXRCMADLVAFJX-UHFFFAOYSA-N 365.502 4.614 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c(C)c1 5576469 PHPYJEZIUFFLKP-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 5965364 JFUDOCPUOAWBAC-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccccc2)c2ccccc2)c1 6065531 RGJVUZFDYCUIBG-NRFANRHFSA-N 359.425 4.840 0 40 FJAB Cc1ccc(CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 6300079 WPQJIETYWKGZOF-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 7055608 YMGMTMQETKYDHK-UHFFFAOYSA-N 366.467 4.764 0 40 FJAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(Cl)c1OC 8239207 XKHXKKJVXXGISQ-NSHDSACASA-N 359.809 4.594 0 40 FJAB O=C(NCCc1cccs1)c1ccc(COc2ccc(Cl)cc2)cc1 8401273 KXPXPGAKWGQIHV-UHFFFAOYSA-N 371.889 4.953 0 40 FJAB COCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8469108 XPXPREJJMXJAEL-UHFFFAOYSA-N 374.695 4.962 0 40 FJAB C[C@@H]1C[C@@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1 9467518 OWNGVZAFGPRPBY-CZUORRHYSA-N 350.443 4.540 0 40 FJAB Cc1ccc(SCCC(=O)NCCSCc2ccccc2F)cc1 10280486 HGSDOFXUSBCBRM-UHFFFAOYSA-N 363.523 4.666 0 40 FJAB CCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)cc1 12413443 IXLHFMWUYWFCOX-UHFFFAOYSA-N 354.251 4.718 0 40 FJAB Cc1cccc2c(NC(=O)CSc3nc4ccccc4s3)ccnc12 12421811 LCOKWAMNDVYPSF-UHFFFAOYSA-N 365.483 4.884 0 40 FJAB Cc1ccccc1-c1nn(CN2CCC[C@H]2c2ccccc2)c(=S)n1C 12800202 GPKYNPRJQFGBEG-IBGZPJMESA-N 364.518 4.721 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 12802037 DIJLMOLZNFHYEV-UHFFFAOYSA-N 355.365 4.649 0 40 FJAB CCc1ccc2c(CN3CCC[C@@H]3c3ccc(OC)cc3)cc(=O)oc2c1 12810538 RCCSXDKXWUCIDZ-OAQYLSRUSA-N 363.457 4.701 0 40 FJAB Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)n(C2CCCCC2)c1C 14095705 ZCOZICTWZLFCDP-UHFFFAOYSA-N 372.490 4.709 0 40 FJAB Cn1c(-c2cccs2)nn(CN2CCC[C@H]2c2cccs2)c1=S 14166350 VYOWGKNYESAVJU-LBPRGKRZSA-N 362.549 4.536 0 40 FJAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)N(c2ccccc2)c2ccccc2)C1 19823680 OGXXNCFSMLNHCZ-KDURUIRLSA-N 364.489 4.636 0 40 FJAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2nc(Cl)ccc2Cl)C2CC2)o1 27277716 YKROSUJHYTWABW-ZWNOBZJWSA-N 365.260 4.910 0 40 FJAB Cc1[nH]c(SCc2noc(-c3cccs3)n2)nc1Cc1ccccc1 40012650 RRISCIZSOWOJJP-UHFFFAOYSA-N 368.487 4.713 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2ccccc2)cn1 40157572 IOKAMMIBVPSXIH-AWEZNQCLSA-N 352.821 4.808 0 40 FJAB O=C(Nc1cccc2cnccc12)N(Cc1cccs1)C[C@H]1CCCO1 43161273 DIKPSPDYPVWZHN-MRXNPFEDSA-N 367.474 4.509 0 40 FJAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1C 44086672 BMHHJNDWDXHEIX-UHFFFAOYSA-N 352.459 4.503 0 40 FJAB O=C(Nc1c(F)cccc1F)c1ccc(CN2CCc3ccccc32)cc1 44848194 TWHLXCDLSHJBTQ-UHFFFAOYSA-N 364.395 4.780 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(OC)cc1 44904432 ZGZAGMDJJLNAPF-IIBYNOLFSA-N 363.457 4.883 0 40 FJAB CC(C)Sc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 52399845 JYEGWJUZFYULIW-UHFFFAOYSA-N 368.546 4.713 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@@H](NCc1ccccc1)c1ccccc1 55301137 JGWHUIPFOFUBJC-FQEVSTJZSA-N 350.849 4.810 0 40 FJAB CN(Cc1ccc(OCc2cccnc2)cc1)Cc1cccc(Cl)c1 57992776 LSMGOIPGGUVLKY-UHFFFAOYSA-N 352.865 4.946 0 40 FJAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3ccsc3)c2)c1C 58367722 BADSCRVJIUXLDM-UHFFFAOYSA-N 368.458 4.789 0 40 FJAB COc1ccc(C[S@@](=O)Cc2csc(C3CCCCC3)n2)cc1F 64828236 BUSVAWGODPULGQ-DEOSSOPVSA-N 367.511 4.787 0 40 FJAB Cc1cc(NC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)no1 68474087 ZMCZXBNFBHYJFL-MRXNPFEDSA-N 363.461 4.548 0 40 FJAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72219309 IUOMTGZQYMUHRC-GOSISDBHSA-N 359.514 4.842 0 40 FJAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349626 QICGCXHVYMBTOH-LJQANCHMSA-N 364.489 4.653 0 40 FJAB Clc1ccc(CN2CC(c3nc(-c4ccsc4)no3)C2)c(Cl)c1 77099607 SUDSJQZMDGNMLG-UHFFFAOYSA-N 366.273 4.704 0 40 FJAB CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344258 ZDMGDOXRFHUUNG-STQMWFEESA-N 370.305 4.786 0 40 FJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 101464059 BQPYTAHDNRGLSY-VHKYSDTDSA-N 361.441 4.797 0 40 FJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1C 103716734 MLMICABISACCHF-KRWDZBQOSA-N 364.489 4.593 0 40 FJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 222960164 CVPANAVELPWVQS-PMACEKPBSA-N 370.566 4.853 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)s1 224152657 WPPXEMMCGAOANH-QZTJIDSGSA-N 351.500 4.629 0 40 FJAB CCOc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225440621 RVWASWKYALXRBV-UHFFFAOYSA-N 370.518 4.893 0 40 FJAB CCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225868357 PUYYSVHZIQTKQR-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c2ncccc12 225897083 RFJRNZGFRLSQTL-OAQYLSRUSA-N 358.482 4.948 0 40 FJAB O=C(O)c1cccc(NCc2cccc(OCc3ccc(F)cc3)c2)c1 408608410 LMFNJTBQCGDCTB-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB O=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Cl 409147465 YBPFKUBYJYKMQZ-OAHLLOKOSA-N 366.269 4.800 0 40 FJAB CC(=O)N1CCCCCCN(Cc2cccc(F)c2)Cc2ccccc21 643563074 KWKWQUXWEWDHOW-UHFFFAOYSA-N 354.469 4.755 0 40 FJAB COc1ccccc1NCc1nc2ccccc2n1CCOc1ccccc1 811115 DUTAPXVZINRKOU-UHFFFAOYSA-N 373.456 4.736 0 40 FJAB CC1(C)C[C@@H]([C@@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 2250217 GWHQVUJDGHPJKS-ROUUACIJSA-N 357.519 4.857 0 40 FJAB O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2379945 FNRIRVWOQHFTMB-UHFFFAOYSA-N 374.421 4.914 0 40 FJAB COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc1 4735066 FDEJOXGXXZIAPE-UHFFFAOYSA-N 373.412 4.791 0 40 FJAB Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)c2n1 5305817 UYZAAZPZZCKZGR-UHFFFAOYSA-N 363.413 4.819 0 40 FJAB CC(=O)c1cnn(-c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)c1C 5423186 ZXDQXCVPWPDCMG-UHFFFAOYSA-N 369.428 4.584 0 40 FJAB FC(F)=C(F)CCSc1nc2nccc(/C=C\c3cccs3)n2n1 5770468 ZRNZOQMYBJDLIZ-ARJAWSKDSA-N 368.409 4.916 0 40 FJAB CCc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1cccs1)=N2 6134964 BGVMZJOWSDMRSB-UHFFFAOYSA-N 374.513 4.810 0 40 FJAB Cc1ccc(C)c(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 6217420 FXNHZNAFQQTJJE-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(-c2ccco2)nc2ccccc12 7215272 DJHSIBQSLZMUSF-LJQANCHMSA-N 370.408 4.748 0 40 FJAB Cc1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)cc1 7251859 MAZABUXPCATMIA-UHFFFAOYSA-N 360.280 4.835 0 40 FJAB CC(C)COc1ccc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)cc1 7342963 NVAQXLNTASTRKD-WOJGMQOQSA-N 368.458 4.816 0 40 FJAB O=C(O)c1c(OCc2ccc(Br)cc2)ccc2ccccc12 7603941 WVDQYUMUCFKMQX-UHFFFAOYSA-N 357.203 4.880 0 40 FJAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 7614627 ARJDRUIQQNODPX-UHFFFAOYSA-N 352.459 4.698 0 40 FJAB O=C(NCc1cccc(C(F)(F)F)c1)N1CC=C(c2ccccc2)CC1 8193963 QOQJPOPJKPWLJJ-UHFFFAOYSA-N 360.379 4.704 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1C(=O)c1ccccc1 8714202 PSSQPAUXJUNIDJ-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)oc2c(Cl)cccc12 9047967 RMFAZFTWAHQVGA-MRXNPFEDSA-N 372.852 4.555 0 40 FJAB COc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 9256108 ITDYNNMCLTXEKA-UHFFFAOYSA-N 362.429 4.596 0 40 FJAB CCc1cccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 10289111 OOQITWWTENNNHL-OAQYLSRUSA-N 369.461 4.734 0 40 FJAB CCC[C@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccc1 10967187 IEDSWSMUZFOVGE-IBGZPJMESA-N 350.466 4.592 0 40 FJAB Cc1cccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)n1 12551091 UUFQFRYHBGKAEP-UHFFFAOYSA-N 370.412 4.668 0 40 FJAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3)cc2)cs1 12563986 RGTZRYBVYNBCAW-LBPRGKRZSA-N 355.438 4.697 0 40 FJAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 12673054 ZPANNUMIMZUMEQ-UGSOOPFHSA-N 373.294 4.517 0 40 FJAB c1ccc2c(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)cccc2c1 19376372 ITZZQKMCPQNLPL-UHFFFAOYSA-N 370.456 4.664 0 40 FJAB S=C1N(c2ccccc2)CN(Cc2ccccc2)CN1c1ccccc1 19890864 QUDLYANPZCPNPD-UHFFFAOYSA-N 359.498 4.715 0 40 FJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 19933000 GESYXXQNADOPQW-ZDUSSCGKSA-N 352.261 4.866 0 40 FJAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20105711 KKGCFUQALXTKEC-AUSIDOKSSA-N 359.469 4.977 0 40 FJAB O=C1CCCc2c1c(Nc1cccc(Cl)c1)nn2-c1ccc(F)cc1 20672134 HUACYSKIQVIOKS-UHFFFAOYSA-N 355.800 4.927 0 40 FJAB CC[C@H](C(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccccc1 21135530 YOACJFVGHFQQIM-SFHVURJKSA-N 357.523 4.507 0 40 FJAB CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236712 SWRTXQZCOMJMFN-UHFFFAOYSA-N 374.362 4.601 0 40 FJAB O=C(C1CCCC1)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 22890390 WNOGAYLIEYSAMH-ZDUSSCGKSA-N 364.898 4.652 0 40 FJAB CN(C(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1nc2ccccc2s1 25063998 LTYXEWKUAKXNJC-UHFFFAOYSA-N 367.474 4.558 0 40 FJAB CSc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 39768742 HZGDWVAIFCFNKK-UHFFFAOYSA-N 374.937 4.913 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078424 BSVRNHQXHFXYSK-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1OC 46086720 PVHBCPKQABZOHL-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](NCc2cccs2)c2ccccc2)c1 58163291 PCBCLJBAHRHPRS-HXUWFJFHSA-N 350.487 4.835 0 40 FJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1F)CO3 58979785 JRKDWGGNMIJQQX-UHFFFAOYSA-N 367.420 4.545 0 40 FJAB biogenic O=C(/C=C/c1ccccc1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 85562253 QXEAPIYISGGKED-DKFQHHCZSA-N 362.256 4.607 0 40 FJAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2sc(C(C)C)nc2C)c(C)c1 89614024 SVKOHIMHYNTPIT-INIZCTEOSA-N 359.539 4.823 0 40 FJAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2Cl)s1 95116327 VGUOGJSQCQABLN-CYBMUJFWSA-N 357.866 4.986 0 40 FJAB OC1=Nc2ncn(-c3cccc(Cl)c3)c2[C@@H](c2ccc(O)cc2)SC1 95478397 QXXSBUSYWJTIPI-QGZVFWFLSA-N 371.849 4.656 0 40 FJAB CC(=O)Nc1nc(CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cs1 96955996 GKDBEEWVHOGECZ-LJQANCHMSA-N 359.539 4.787 0 40 FJAB COc1ccc(CNCc2ccc(-c3ccccc3F)s2)cc1OC 96998240 GTDJOTPHDJQGIW-UHFFFAOYSA-N 357.450 4.861 0 40 FJAB O=C(CCc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cc1 199762577 AGLMCSSCGLLPHC-UHFFFAOYSA-N 364.272 4.646 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 219533934 OSGOWRRWKFHEJC-MJGOQNOKSA-N 367.489 4.798 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222977323 RMNMGATXFXQJGU-ZWKOTPCHSA-N 351.490 4.827 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223127746 COKCASAVHFBSPS-VXKWHMMOSA-N 351.490 4.990 0 40 FJAB COc1cc(C)c(S(=O)(=O)NC2CCCCCCC2)cc1C(C)C 224244213 YNDDUXQMGSPVJL-UHFFFAOYSA-N 353.528 4.518 0 40 FJAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224655139 MTEYKRMCSNPUTC-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CCOCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC 224696117 KJSJOMDFQARKOI-UHFFFAOYSA-N 367.367 4.893 0 40 FJAB CC(C)Sc1nnc(NC(=O)CCc2ccc(C(C)(C)C)cc2)s1 224850322 BXCWYPSAUVCEIA-UHFFFAOYSA-N 363.552 4.907 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225167279 ZPRBMRICZRCJQZ-IAGOWNOFSA-N 355.478 4.772 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225360286 DWHGAYKLRCFPMK-AWEZNQCLSA-N 366.288 4.818 0 40 FJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(=O)O)c2)cn1 257279709 OHUPVYVDCUQBQO-SFHVURJKSA-N 368.433 4.519 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC(C)C)cc3)N21 260788338 YZGPCSBRKBQCNR-UXPWSPDFSA-N 367.518 4.848 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccccc1 409207014 YPXRZITZEILEPI-VZCXRCSSSA-N 356.878 4.711 0 40 FJAB CCc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C 543633665 QWWVRULMIYBVOI-WOJBJXKFSA-N 356.441 4.738 0 40 FJAB CN(C)c1cccc(CCC(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1292607997 LNLACHUXKYNCDR-KEZQHZCBSA-N 354.538 4.503 0 40 FJAB Cc1cccc(-c2cccc(C(=O)N[C@H]3CCCc4nc(O)ccc43)c2)c1 1540567035 WSJRRQIGEQNSAP-NRFANRHFSA-N 358.441 4.570 0 40 FJAB O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)cc(Cl)c1 671804 RWYRVWXFHOYTKI-UHFFFAOYSA-N 353.230 4.865 0 40 FJAB CC(C)(C)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 846721 PAESBFXBNGSCDM-AWEZNQCLSA-N 365.304 4.850 0 40 FJAB CCOC(=O)c1c(CSc2ccc(C)cc2)n(C)c2ccc(O)cc12 862729 QWMXPCIVYAOEIX-UHFFFAOYSA-N 355.459 4.661 0 40 FJAB CCc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)c[nH]1 873879 ZHELAVODDRPFIX-UHFFFAOYSA-N 351.475 4.678 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1nc(C)c(C)s1 1340009 NRGZVWPDCPIYOC-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB COc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1OC 1431197 KFFYUWBIMQMNFR-UHFFFAOYSA-N 362.404 4.908 0 40 FJAB O=C(C[C@H](SCc1ccco1)c1ccc2c(c1)OCO2)c1ccco1 3195698 XQJKKGFPNKWGON-IBGZPJMESA-N 356.399 4.849 0 40 FJAB COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@]4(O)[C@H]3CC[C@@]2(C)C1 3843904 FALJCKNYMNNQLF-LVCSPDSFSA-N 350.543 4.913 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCCC[C@@H]1c1cccnc1 3999850 QCKWAKZEHJRBJF-IIAWOOMASA-N 353.293 4.726 0 40 FJAB biogenic Cc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088720 DUTCNCYJNZGHBL-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(F)c1 4109785 VKTGKUQTDPINOI-UHFFFAOYSA-N 352.331 4.697 0 40 FJAB CCc1ccccc1NC(=O)CSC1=NC(C)(C)Nc2ccccc21 4372204 DDOSBMRZHAYNOA-UHFFFAOYSA-N 353.491 4.529 0 40 FJAB O=C(Nc1nnc(COc2ccccc2)s1)c1cccc2ccccc12 4503562 LXUSEBKXRATNMT-UHFFFAOYSA-N 361.426 4.523 0 40 FJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(C)C)c1 4682328 QHYMIAVWQMXDQP-UHFFFAOYSA-N 356.491 4.724 0 40 FJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 4741898 MZRVAUAUNAVGHT-HXUWFJFHSA-N 361.445 4.669 0 40 FJAB Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)[C@@H]1CCOC1=O 4983259 BYVBDJDDIWQYLX-KRWDZBQOSA-N 358.441 4.961 0 40 FJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCC2=O)cc1 5439752 ZKEMFUJENWPXCI-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)Cc1ccc(-c2ccccc2)cc1 5471860 DKFJGYUABRMALL-UHFFFAOYSA-N 374.436 4.851 0 40 FJAB Cc1cc(C)cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 6187802 FKIPSLWSMNNGIP-QFIPXVFZSA-N 369.468 4.894 0 40 FJAB COc1ccc(CCNCc2ccccc2OCc2ccc(F)cc2)cc1 8474528 PVECIMSYBCLTJU-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB CCCn1c(SCc2csc(-c3ccc(C(C)C)cc3)n2)n[nH]c1=O 9465325 JDYHIIAGFONEAP-UHFFFAOYSA-N 374.535 4.521 0 40 FJAB Cc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 9949464 FXFKZVNIKISYQP-UHFFFAOYSA-N 352.459 4.520 0 40 FJAB O=C(c1cccc(F)c1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254556 IRRZRSHIPMWPFN-UHFFFAOYSA-N 360.816 4.732 0 40 FJAB CC1(C)OC(c2cccc(NC(=O)CCc3ccccc3F)c2)OC1(C)C 12402047 PNUIAGDBCUADPH-UHFFFAOYSA-N 371.452 5.000 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2o1 12741366 GPFPIHCOYDYMRY-JTQLQIEISA-N 363.339 4.594 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 12770381 ATTLATZEKSJLDQ-OAHLLOKOSA-N 369.440 4.776 0 40 FJAB Cc1nc(NC(=O)COc2ccc(Oc3ccccc3)cc2)sc1C 14779049 OSFCPGUIFNFHSG-UHFFFAOYSA-N 354.431 4.570 0 40 FJAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCCc2ccccc21 16780513 UMLCDARSBRZXFG-JOCHJYFZSA-N 359.469 4.546 0 40 FJAB Cc1nc(-c2ccc(NC(=O)c3cccc(Cn4cccn4)c3)cc2)cs1 19285632 FQEBPFCNBVLKKN-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB CC(C)Oc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)c1 19450793 QJZDZHMJRVUOFQ-LIMIJEPZSA-N 369.480 4.628 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 19908739 KXRSSLPHUWHTIT-CQSZACIVSA-N 356.853 4.607 0 40 FJAB COc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)cc1 20672242 KGNIOHUOAURDHJ-CYBMUJFWSA-N 365.408 4.529 0 40 FJAB Cc1ccc(-c2nc(CSc3nc(N)c4ccsc4n3)co2)c(C)c1 23007585 YUIMAKJAYHRAKL-UHFFFAOYSA-N 368.487 4.838 0 40 FJAB CCc1ccc(CN(C(=O)COc2ccc(CC)cc2)c2ccccn2)cc1 27793701 AFOQBBJHKMGVBA-UHFFFAOYSA-N 374.484 4.819 0 40 FJAB CN(Cc1ccsc1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 32905526 FOGDOWUGUBPWRU-UHFFFAOYSA-N 369.873 4.905 0 40 FJAB NC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 33407636 DAPSBYMSZAOQGY-SMAVKEGISA-N 367.399 4.640 0 40 FJAB O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCCc2ccccc21 39766587 ADMDBDPSFUTMAI-UHFFFAOYSA-N 368.908 4.531 0 40 FJAB Cc1cc(F)ccc1NC(=O)N(C)Cc1ccccc1Br 40103558 ARLYGLSOOPWHRL-UHFFFAOYSA-N 351.219 4.561 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 44856340 VGIYDNIGQNEADS-RXVVDRJESA-N 368.496 4.532 0 40 FJAB COc1cccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)c1 57510830 BGKNLURFSKBVCH-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CCc1nnc(-c2ccsc2)o1 58617918 KJAFSQJOLGEFLJ-CWRNSKLLSA-N 362.495 4.735 0 40 FJAB COc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1OC 61114021 DFNHFJLVIREMRX-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccccc4C)ccc3s2)n1 72229719 UWBBQMPSPJVJCT-UHFFFAOYSA-N 362.458 4.660 0 40 FJAB Cc1csc([C@@H](Cc2cccs2)NCc2cc3c(cc2C)OCO3)n1 72341767 VHFCFRKXNOJQNI-MRXNPFEDSA-N 372.515 4.624 0 40 FJAB C[C@H]1C[C@H](NC(=O)Nc2ccccc2-c2nc3ccccc3s2)CCO1 95982973 HQZVANUHPBBJQV-UONOGXRCSA-N 367.474 4.652 0 40 FJAB Cc1[nH]c2ccccc2c1C1=CCN(Cc2ccc([S@](C)=O)cc2)CC1 97032605 QFTLZZKHTYYLMK-AREMUKBSSA-N 364.514 4.503 0 40 FJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(Cl)cc2Cl)CCC1 102752749 FGUPWYAQMVRVDV-CYBMUJFWSA-N 351.193 4.612 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1C 108287809 IRWUAOJEXXBNLL-LJQANCHMSA-N 363.461 4.683 0 40 FJAB CCCOc1ccccc1CCCNC(=O)c1ccc(OC(C)C)cc1 218984728 XKOFNEOLHBJAPB-UHFFFAOYSA-N 355.478 4.625 0 40 FJAB CCSc1ccccc1C(=O)NCCCc1cccc(OC(C)C)c1 219647639 JAOWMRYWWHDBCC-UHFFFAOYSA-N 357.519 4.948 0 40 FJAB Cc1ccc(CN2CCC(C(=O)NCc3cccc4ccccc34)CC2)cc1 222875970 OJHRQCRTXLDSHT-UHFFFAOYSA-N 372.512 4.677 0 40 FJAB CC[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223125992 VMQYCYGLOLYKKW-HXUWFJFHSA-N 357.881 4.865 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC1CCCCC1 408703619 UQWFTSYBNIAVHM-MRXNPFEDSA-N 363.567 4.934 0 40 FJAB Cc1cc(CN2CCC(Cc3ccc(C(C)C)cc3)CC2)oc1C(=O)O 576830655 WIPIUCILOQKNJW-UHFFFAOYSA-N 355.478 4.864 0 40 FJAB CN(Cc1ccccc1)CC1CCN(Cc2ccc3cnccc3c2)CC1 683830464 VVEGPGUTAUZQCA-UHFFFAOYSA-N 359.517 4.579 0 40 FJAB FC(F)(F)c1cnc(-c2noc(C(Cl)(Cl)Cl)n2)c(Cl)c1 1247552712 IEKAMYAGZQXQJJ-UHFFFAOYSA-N 366.941 4.631 0 40 FJAB O=C(Cc1ccccc1)N[C@@H]1C[C@H](c2ccc(Cl)cc2)O[C@@H]2CCC[C@@H]12 2037844649 ZNXREQMUBVBQAE-DOIPELPJSA-N 369.892 4.698 0 40 FJAB CCOc1ccc(-c2nnc(N(CC)C(=O)CCC3CCCC3)s2)cc1 1345544 IFZVWRVFMYJXCK-UHFFFAOYSA-N 373.522 4.927 0 40 FJAB CCCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 2721545 HNNAKKMYQZCTOK-UHFFFAOYSA-N 363.505 4.518 0 40 FJAB Cc1ccc(C)c(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 2806677 UHDKQUYFTFDBGH-UHFFFAOYSA-N 370.412 4.733 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc2C1 3224742 SGSKXRDBOIYSPA-UHFFFAOYSA-N 370.811 4.641 0 40 FJAB CC(C)c1ccccc1NC(=O)COC(=O)c1c(Cl)cccc1Cl 3295908 BQKOTWMVTCXBTJ-UHFFFAOYSA-N 366.244 4.912 0 40 FJAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)o2)c1C 3345481 BLBFWIXWSSWGIP-UHFFFAOYSA-N 355.463 4.540 0 40 FJAB CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4107607 NULWXROOXRHOAN-IBGZPJMESA-N 350.462 4.752 0 40 FJAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cc3ccccc3o2)c1 4120342 QISYVVOROGYEHV-UHFFFAOYSA-N 364.470 4.795 0 40 FJAB COc1ccc(-c2cs/c(=N\c3ccccn3)n2-c2ccccc2)cc1 4498846 ZEGMOQLIYUHLFY-LNVKXUELSA-N 359.454 4.842 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3cccc(COC)c3)n2)cc1 5279397 FQWNNODCPLCRQJ-UHFFFAOYSA-N 352.459 4.771 0 40 FJAB CCCCCC[C@]1(C)NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 5865686 SCFAMJAUIHDCGP-KRWDZBQOSA-N 357.281 4.774 0 40 FJAB O=c1oc2ccc(Cc3ccccc3)cc2cc1-c1nc2ccccc2[nH]1 6161323 PBILZEPOEWPPAR-UHFFFAOYSA-N 352.393 4.927 0 40 FJAB COC(=O)c1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 6306156 QLWCEZYIFUGPGL-UHFFFAOYSA-N 368.458 4.633 0 40 FJAB CCCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 6323968 XWCUWHSCDSHFRB-QGOAFFKASA-N 353.443 4.712 0 40 FJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 7651102 ALFQNSWURPRAGQ-UHFFFAOYSA-N 374.456 4.729 0 40 FJAB COc1cccc(NC(=O)Nc2ccc(Br)c(Cl)c2)c1 8167973 VCHUMNKJIPNHAN-UHFFFAOYSA-N 355.619 4.755 0 40 FJAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 8271941 NRNZWHLMKLONQI-UHFFFAOYSA-N 367.474 4.800 0 40 FJAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 8277702 VMZGKBNDUYLUCI-UHFFFAOYSA-N 360.413 4.998 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 8494798 MQPDAMJWROHBNH-LJQANCHMSA-N 351.490 4.552 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3cccs3)ccc1O2 9134992 SRHCZXGAKDCFSU-UHFFFAOYSA-N 350.399 4.667 0 40 FJAB CCNc1c(NC(=O)Nc2cc(Cl)ccc2C)c(=O)oc2ccccc12 9607450 KVCFCPRYSZSPCJ-UHFFFAOYSA-N 371.824 4.831 0 40 FJAB COc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl 10039289 BHVVKPBVCZIPMQ-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB CC1(C)CC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC(C)(C)N1 10812936 AIERJXMPGLCPOD-UHFFFAOYSA-N 368.546 4.553 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1OC(F)(F)F 12902594 MTRQEAQUPFGVQR-UHFFFAOYSA-N 363.257 4.785 0 40 FJAB O=C(NCc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1F 15931395 XNULQNMAHNKRBJ-RWEWTDSWSA-N 372.399 4.734 0 40 FJAB CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 16599414 UMSIVOZISBQTLO-HNNXBMFYSA-N 358.894 4.587 0 40 FJAB CC(C)c1nnc(S[C@H](C)c2nnc(-c3ccccc3)o2)n1C1CC1 22133357 VXIAJIQEXSVWKM-GFCCVEGCSA-N 355.467 4.640 0 40 FJAB Cc1ccnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 22258186 IYYLMOVWRWTCTA-UHFFFAOYSA-N 352.821 4.875 0 40 FJAB COc1ccc2cc(CN(C)[C@@H](C)c3nc(C(C)(C)C)no3)ccc2c1 23904020 PLPHECHECPEGHY-AWEZNQCLSA-N 353.466 4.722 0 40 FJAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(F)c(Cl)cc1Cl 25175383 HFVXHBZYTOSOTM-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2cc1O)CC3 25543209 GGPSFERRRHTKKI-UHFFFAOYSA-N 356.425 4.534 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)cc3)n2)c(C)c1 30564959 HLEGZPPBTFBDBL-UHFFFAOYSA-N 374.469 4.865 0 40 FJAB Cc1nc2ccccc2n1CC1CCN(Cc2ccc(F)c(F)c2)CC1 38535793 HRVKCELYBUDOHY-UHFFFAOYSA-N 355.432 4.535 0 40 FJAB COc1ccc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)cc1OC 38792177 HSMDOSKNXLVXIP-WVGOSAFVSA-N 356.418 4.517 0 40 FJAB biogenic,in-vitro COc1ccc([C@H](C)NC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1F 45103402 CDHJEMYPBYQHIH-HNAYVOBHSA-N 371.456 4.617 0 40 FJAB COc1cccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)c1 48990937 IODIZRLGCOURCZ-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(C)c(Cl)c3)n2)cc1 49468071 FLSLIKWCXMAXGO-UHFFFAOYSA-N 354.841 4.830 0 40 FJAB Oc1nc(/C(Cl)=C\c2cnc(-c3ccccc3)nc2)nc2ccccc12 58407602 BOSMZORBYZAFIR-MHWRWJLKSA-N 360.804 4.529 0 40 FJAB CCOc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2C)cc1 67341628 SCGYUFIKVJAATP-UHFFFAOYSA-N 362.458 4.765 0 40 FJAB Cc1csc(SCC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)n1 90608120 NAVCRQFKPWXHIH-UHFFFAOYSA-N 371.531 4.577 0 40 FJAB CCOc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccc(F)c1 107598368 NNDICIYOFCAZCB-VOTSOKGWSA-N 350.773 4.555 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1 224056786 VRAFAFLTUFYSMD-UHFFFAOYSA-N 350.180 4.571 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882461 DBZIHVWUXKATSU-QGZVFWFLSA-N 367.367 4.998 0 40 FJAB CCOc1ccccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225104590 QUDJNYUXGGXZPG-JOCHJYFZSA-N 362.425 4.827 0 40 FJAB O=C(Nc1ccc2sncc2c1)c1cc(-c2ccc(Cl)cc2)on1 225898586 MTUDNRFFIYQRBJ-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)C1(c2cccs2)CCCC1 240122392 VYFHGPYEJXDLNM-HNNXBMFYSA-N 353.487 5.054 0 40 FJAB Cc1ccc(CN2C(=O)N/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1 409240796 IACLRPDEQCUTGY-UDWIEESQSA-N 373.456 4.624 0 40 FJAB Cc1cc(NC(=O)c2cccc(Cn3ccnc3)c2)cc(C(F)(F)F)c1 683123235 ZLXCEAKHEREIQV-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB COc1cccc(N/C=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)c1 1740816555 LFKDHTOEYYFCLH-DEDYPNTBSA-N 360.457 4.999 0 40 FJAB CCOC(=O)c1cnc2ccc(CC)cc2c1Nc1ccc(N(C)C)cc1 950409 AQCHEUCEVLCBJV-UHFFFAOYSA-N 363.461 4.784 0 40 FJAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1 1034246 ROJQNRIFDLTPPC-UHFFFAOYSA-N 351.349 4.659 0 40 FJAB COc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 2069537 VZAQPMBHNHAZOI-UHFFFAOYSA-N 354.855 4.548 0 40 FJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1OC 2367982 QJRFEQKVXZPIIO-JOCHJYFZSA-N 374.440 4.783 0 40 FJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 3240934 UVBSVDQQRGCYTH-UHFFFAOYSA-N 357.365 4.535 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 3400498 DOUHEZDPKPFRCB-OAHLLOKOSA-N 363.486 4.817 0 40 FJAB O=C(OCc1ccno1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3438237 PXCMIQWCXQMDNA-UHFFFAOYSA-N 364.788 4.900 0 40 FJAB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OC1CCCCC1 5765624 JDYDWGYOYDRAKA-NTCAYCPXSA-N 366.373 4.638 0 40 FJAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)C(C)C 6357744 UMJAUDFPQLCDBM-IZZDOVSWSA-N 372.852 4.595 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 6761735 JBWPODJIDWGTFF-JLHYYAGUSA-N 356.853 4.520 0 40 FJAB O=C(Nc1ccc(OC(F)F)cc1)c1csc(-c2ccsc2)n1 7957450 SAEANKYXPGZCFH-UHFFFAOYSA-N 352.387 4.725 0 40 FJAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3cnn(CC)c3C)nc21 8782667 XVOGHWWKHNTMGR-UHFFFAOYSA-N 365.403 4.750 0 40 FJAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NC1CCCC1 8854306 FFMGELVNKKBXDT-UHFFFAOYSA-N 366.939 4.690 0 40 FJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCc1c[nH]c2ccccc12 10089858 KCLSJVKHCPEASP-UHFFFAOYSA-N 363.848 4.650 0 40 FJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12039538 GXKWMWXMAXOIAP-GGAORHGYSA-N 356.425 4.938 0 40 FJAB Cc1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)cc1C 12928409 HTLHRZDYQYGBAA-HSZRJFAPSA-N 358.485 4.816 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2C)cc1 12945866 JMYKDUWRMRQCPI-NRFANRHFSA-N 352.478 4.559 0 40 FJAB S=C(Nc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 13823314 OJWVSILFRIKALH-INIZCTEOSA-N 361.308 4.813 0 40 FJAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 14166382 BHWGKWXWRBHDQH-CYBMUJFWSA-N 374.271 4.599 0 40 FJAB Cc1ccc(C)c([C@H](C)N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 14233860 KVZOMRKOXNTJCW-UONOGXRCSA-N 355.507 4.630 0 40 FJAB COc1ccc2cc(C(=O)N[C@H](C)c3cc4ccccc4o3)c(C)nc2c1 14701505 RSGOUGXFZGRCPN-CQSZACIVSA-N 360.413 4.789 0 40 FJAB CCOC(=O)c1oc2ccc(Cl)cc2c1CNCc1cccc(C)c1 15017525 CNZIJFKQZJZBOX-UHFFFAOYSA-N 357.837 4.861 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 17076534 IWFRIWWZIOONMD-UHFFFAOYSA-N 373.865 4.941 0 40 FJAB CNc1ccc(/C=C2/C=Cc3ccccc32)cc1I 17375748 UZLGNKBARLETHY-UVTDQMKNSA-N 359.210 4.900 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)Nc1ccc(Cl)c(Cl)c1 18176791 AOHPEFIYXKMBOQ-UHFFFAOYSA-N 364.232 4.764 0 40 FJAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1-c1ccc(CO)o1 20141868 CKUJSTQWBPUSTO-UHFFFAOYSA-N 365.429 4.787 0 40 FJAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCCC3)ncnc21 21798022 JTFXOMKQFYUDJA-UHFFFAOYSA-N 354.457 4.996 0 40 FJAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@@H]1c1ccccc1 23024033 CXMZLJKAZXUAIR-GOSISDBHSA-N 369.262 4.908 0 40 FJAB C[C@H](c1nnc(-c2ccccc2)o1)N(C)CC12CC3CC(CC(C3)C1)C2 27782633 GTISVVVUIWFVSP-NOCBQHASSA-N 351.494 4.946 0 40 FJAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(COc2ccc(F)cc2F)o1 27983627 UQQUIZHDUDPSND-UHFFFAOYSA-N 369.367 4.878 0 40 FJAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 28227079 XESDABZQFPLKGQ-GJZGRUSLSA-N 366.486 4.521 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 32942933 IPGUXVBAFWVVCN-HNNXBMFYSA-N 358.869 4.736 0 40 FJAB CC1(C)COC2(CCC3=C(CC[C@H]4C3=CC[C@]3(C)C(=O)CC[C@H]43)C2)OC1 34109737 IJHCQNUMWSPJQN-JQVVWYNYSA-N 356.506 4.962 0 40 FJAB COc1ccc2oc(C)c(C(=O)N(C)Cc3ccc(SC)cc3)c2c1 48332856 IIMANHPVXHQHTG-UHFFFAOYSA-N 355.459 4.744 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1C 48340281 SLUIZVKPKJTJAQ-ZDUSSCGKSA-N 373.909 4.963 0 40 FJAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 57398977 KJMFZPIBOFHPNZ-KRWDZBQOSA-N 362.395 4.713 0 40 FJAB CCn1c(CN2CCC[C@@H]2c2ccc(OC)cc2)nc2cc(F)ccc21 58296577 UUWWSKDAGXISCF-LJQANCHMSA-N 353.441 4.541 0 40 FJAB Cc1[nH]c2ccc(CNC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2c1C 64902077 FCILHHDNQRVOHP-UHFFFAOYSA-N 364.493 4.544 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)cc1OCC 72094005 IIHGHAMLCPUCLZ-CQSZACIVSA-N 361.869 4.557 0 40 FJAB C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108914429 PGISDGAAJMGOBF-DBSRCYSRSA-N 367.464 4.959 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 222998775 RPIBEFAPSLPDFO-HXUWFJFHSA-N 353.462 4.760 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)NCc2cc(CC)ccc2CC)cc1 223404295 RMRQJQRCRRUVCC-JOCHJYFZSA-N 353.506 4.848 0 40 FJAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(C)cc1 223585768 BFDDLURUEGKKNU-NRFANRHFSA-N 369.486 4.586 0 40 FJAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1cccnc1 224002207 FKIDMFCBPFMBGC-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 224053856 QUQYJPNMHCPEAG-DHZHZOJOSA-N 351.490 4.809 0 40 FJAB CCOc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1OCC 225063548 GYGAXTRJLKDHEF-UHFFFAOYSA-N 361.869 4.500 0 40 FJAB CC(C)Oc1cccc(NC(=S)NCCSCc2ccccc2)c1 225291234 PSJJPXWWLUWOAT-UHFFFAOYSA-N 360.548 4.694 0 40 FJAB Fc1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 225835623 QKVJCRKDOAYWRF-UHFFFAOYSA-N 373.678 4.728 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(OCc2ccccc2Cl)c1 260802914 QIVDOJCHNNXIQO-AVYPCKFXSA-N 355.865 4.837 0 40 FJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccccc2[C@H](C)CC)CC1=O 408650289 ASEUPBINBGMJIU-SJLPKXTDSA-N 365.473 4.721 0 40 FJAB CC(C)c1ccc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1 408975718 LXZPCGPQXZOYIY-OBXFPTNVSA-N 366.442 4.594 0 40 FJAB Cc1csc(C2(NC(=O)Nc3ccc([C@@H]4CCOC4)cc3)CCCC2)n1 569430640 NKTJSBPMTICCRA-MRXNPFEDSA-N 371.506 4.546 0 40 FJAB O=C(NC(=S)N1CCc2ccccc21)c1sc2ccccc2c1Cl 675700 YJYAQHFTOMISQF-UHFFFAOYSA-N 372.902 4.632 0 40 FJAB CCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccc(C)c2)s1 1345427 JBZNNYKTJYUZIZ-UHFFFAOYSA-N 355.438 4.709 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C)CC2)cc1 3249762 KZARUQCZMGZCHT-UHFFFAOYSA-N 359.473 4.720 0 40 FJAB CCOc1ccccc1Nc1nnc(SCc2c(C)noc2C)s1 3338309 IZHRWKZJDQGHHL-UHFFFAOYSA-N 362.480 4.578 0 40 FJAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(OC(C)C)cc2)cc1 4120363 SWJVQSUXLINHJP-UHFFFAOYSA-N 368.502 4.527 0 40 FJAB COc1ccc2nc(SCc3cc(=O)oc4cc(C)c(C)cc34)[nH]c2c1 4484694 VMRBGUBJXZFJBK-UHFFFAOYSA-N 366.442 4.587 0 40 FJAB CC(C)c1ccc(NC(=O)COCC(=O)Nc2ccc(C(C)C)cc2)cc1 4690576 UWZGHSRMCATWEE-UHFFFAOYSA-N 368.477 4.527 0 40 FJAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)on1 4880593 MNMZEPJEUKJHEC-UHFFFAOYSA-N 371.234 4.919 0 40 FJAB CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 5256153 KDPPIUIRIRRUAH-INIZCTEOSA-N 366.292 4.708 0 40 FJAB Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1 5324603 WSEQTDKSMZSHMZ-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB CCc1c(C)sc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)OC 5470419 PXTMHABSHDCOIE-UHFFFAOYSA-N 352.843 4.703 0 40 FJAB CCOc1ccc(Oc2ccc(NC(=O)c3c(C)noc3C)cc2)cc1 5632431 XOXFMVQQTGUMKJ-UHFFFAOYSA-N 352.390 4.735 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccc(F)cc3)cn12 6309185 BGNPFCFCBPIBPV-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1C 6455937 AYZAVWVINRRGAU-XMHGGMMESA-N 361.397 4.554 0 40 FJAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(OCc2ccccc2)cc1 6589476 DQSLLOXNNWHPTB-NRFANRHFSA-N 373.408 4.506 0 40 FJAB C[C@H]1CCc2nc(NC(=O)CCCc3c[nH]c4ccccc34)sc2C1 6607456 LIXQZXMMWVIMCY-ZDUSSCGKSA-N 353.491 4.711 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1 6804385 LETMLTFTEAJQQO-UHFFFAOYSA-N 374.484 4.991 0 40 FJAB CCc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCC2)cc1 6870958 AMMJDKXGDMVTFC-UHFFFAOYSA-N 350.462 4.529 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCCc4ccccc43)cc12 6880250 HOWGAYAERGXENE-UHFFFAOYSA-N 353.491 4.655 0 40 FJAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1c(F)cccc1F 7510280 ARXZVIAZZREHJY-UHFFFAOYSA-N 370.142 4.574 0 40 FJAB Cc1cc2nc(Oc3ccc(F)cc3Br)c3ccccc3n2n1 7737831 LZBWROCCSBIKQF-UHFFFAOYSA-N 372.197 4.885 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)O[C@H](C(=O)c1ccccc1)c1ccccc1 7989915 SGXSDMMHZGGBAW-DEOSSOPVSA-N 369.420 4.878 0 40 FJAB C[C@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccc(Br)cc1 8724595 SGPSTHJSSRPWHU-CYBMUJFWSA-N 372.266 4.692 0 40 FJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 12177714 LCWPVBVRBLPBLJ-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccccc2F)o1 12620172 QCVHLEAEOZFTAB-UHFFFAOYSA-N 352.409 4.923 0 40 FJAB Cc1ccc([C@H](NC(=O)c2cnn(-c3ccccc3)c2)c2cccs2)cc1 12710244 XZYSHAJDLAVDQN-NRFANRHFSA-N 373.481 4.762 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)CSc1cnnc2ccccc12 12979661 KWXZJHMVQXWPLN-UHFFFAOYSA-N 351.475 4.792 0 40 FJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)NC2CCCCC2)cc1 13631105 CFGLGOGUNQQTFC-UHFFFAOYSA-N 365.477 4.712 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1 20044876 XVRCPAGGYBLPKO-JOCHJYFZSA-N 350.506 4.862 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1OCC 20484585 IRRPREYNSQHGEV-FQEVSTJZSA-N 367.489 4.610 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1NCCc1ccccc1 22072724 BEVQZKDSNQEBAV-UHFFFAOYSA-N 369.827 4.781 0 40 FJAB COc1ccc(CCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC 23054070 OSNJBVYUQJYVNF-LJQANCHMSA-N 355.478 4.540 0 40 FJAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 26495773 FZIPAVCDNYERLC-UHFFFAOYSA-N 373.758 4.607 0 40 FJAB O=C(C1CCN(c2ccnc3cc(Cl)ccc23)CC1)N1CCCCCC1 29848536 FRJINOJVWPPPOO-UHFFFAOYSA-N 371.912 4.507 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3Cc3ccccc3)s2)o1 31271989 PWNOJRCZDSDXOG-QGZVFWFLSA-N 366.486 4.867 0 40 FJAB C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 32477062 RLXCBQLZYZZPPR-AWEZNQCLSA-N 369.852 4.590 0 40 FJAB O=C(CNc1ccc2oc3ccccc3c2c1)Nc1ccc(F)c(F)c1 32679623 XIWRURWPCZHEOM-UHFFFAOYSA-N 352.340 4.915 0 40 FJAB COc1ccc(-c2nc(COc3ccc(Cl)c(Cl)c3)no2)cc1 32754503 CZMNYEHBOJJOBV-UHFFFAOYSA-N 351.189 4.631 0 40 FJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(SC)cc2)cc1 36358594 ADMGYOGYFKTPEF-KRWDZBQOSA-N 365.458 4.726 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1csc(C)n1)c1ccc(F)cc1 36393530 BCUATNTUNRRPLJ-UHFFFAOYSA-N 370.449 4.836 0 40 FJAB CC(C)n1nccc1C(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 36701768 WNFOXUPJVOBKSJ-UHFFFAOYSA-N 360.442 4.973 0 40 FJAB c1ccc(C(CCNCCN2CCc3ccccc3C2)c2ccccc2)cc1 43082619 COVZDQYWYUKRQG-UHFFFAOYSA-N 370.540 4.857 0 40 FJAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 44837264 MHOKNNMZUZTLLQ-UHFFFAOYSA-N 370.250 4.654 0 40 FJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1Br 44850518 BNZPSMDMAQRPPU-CYBMUJFWSA-N 362.267 4.979 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)n[nH]2)cc1 51315525 MBEQQPJXAUGIFY-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 58393602 DVYLVVZYWNQJLW-HXUWFJFHSA-N 364.420 4.695 0 40 FJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(OCc2ccccn2)cc1 71283328 GTOXIXSDRJDJTA-SFHVURJKSA-N 362.433 4.562 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72356009 YELBNIBNVOLEQM-HSZRJFAPSA-N 357.501 4.755 0 40 FJAB CC(C)(C)C(=O)N1CCCN(CCCc2ccc(Cl)c(Cl)c2)CC1 95940906 ISGHEQZQKYWTPJ-UHFFFAOYSA-N 371.352 4.506 0 40 FJAB CC(C)Oc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)c1 100727129 QJZDZHMJRVUOFQ-RTBURBONSA-N 369.480 4.628 0 40 FJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1cccs1 101192179 OGPMHUIMEOJXRU-UHFFFAOYSA-N 365.385 4.913 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)noc4C[C@H]32)C1 105364153 FLJCISDPSGXWGJ-NBKPTEEFSA-N 369.505 4.891 0 40 FJAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC 224405556 HNJWQQJMTAXJMM-UHFFFAOYSA-N 354.233 4.791 0 40 FJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(C)cc1 224470669 NTXIKTAWVIMXQB-UHFFFAOYSA-N 367.489 4.989 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)cc3C)o2)cc1 224852399 WETAFWMNGUHRCA-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 225405655 NJUSSQIKRFIZGO-CQSZACIVSA-N 370.518 4.803 0 40 FJAB COc1ccc([C@H](C)NC(=S)Nc2cccc(Br)c2)cc1 225463321 MGMFLXJXFZVUIE-NSHDSACASA-N 365.296 4.505 0 40 FJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225562126 UXJHZOIEEHNXTD-SFHVURJKSA-N 367.489 4.859 0 40 FJAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225614134 KLDKLGOFRKRNLN-LJQANCHMSA-N 371.905 4.678 0 40 FJAB COc1cc(C)c(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1C(C)C 225666805 RNDINCIVGMQCIH-QGZVFWFLSA-N 355.478 4.633 0 40 FJAB Cc1cc(C)nc(Nc2ccccc2C(=O)NC2CCCCCCC2)n1 225918671 UUIBFQOYBRJICF-UHFFFAOYSA-N 352.482 4.680 0 40 FJAB COc1cc(CO)cc(CSC)c1OCc1ccc(Cl)cc1Cl 226288359 QWBOMBWDIOFCHG-UHFFFAOYSA-N 373.301 4.936 0 40 FJAB Fc1cccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 306135234 OLJMPKMSNBZHTO-OAQYLSRUSA-N 372.447 4.873 0 40 FJAB O=C(Nc1ccc2ccnc(O)c2c1)N1CC2(CCC2)[C@@H]1c1ccccc1 572115369 LRJONLNWYVKPCV-IBGZPJMESA-N 359.429 4.700 0 40 FJAB C[C@@H](Nc1ncc(C(=O)N(C)C)cc1Cl)c1cccc(C(F)(F)F)c1 614477284 AQNKDCNCROHUGP-SNVBAGLBSA-N 371.790 4.629 0 40 FJAB O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc2cccnc2c1 1125014960 VADCMLOLXDBHBP-UHFFFAOYSA-N 354.409 4.957 0 40 FJAB CC(C)(C(=O)O)c1ccc(NCc2cnc(-c3ccsc3)s2)cc1 1776239570 GHWHMZRMIVFPHF-UHFFFAOYSA-N 358.488 4.846 0 40 FJAB COc1ccc(-c2csc(-c3cc4cc(OC)ccc4oc3=O)n2)cc1 846073 YNSIYHACMOGGLR-UHFFFAOYSA-N 365.410 4.601 0 40 FJAB O=c1c2sccc2nc(SCc2ccccc2)n1-c1ccccc1 1387387 DVSDSQPXIFIPDZ-UHFFFAOYSA-N 350.468 4.740 0 40 FJAB Cc1nc(N2CCCCCC2)c2sc(=S)n(Cc3ccccc3)c2n1 1428954 JPLAODWZCLEXMD-UHFFFAOYSA-N 370.547 4.959 0 40 FJAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(F)cc1Cl 3239914 OVOYWHQIIPVUSE-QEORTHHSSA-N 370.848 4.640 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2oc3ccccc3c2c1 3256679 KTCJYDXXQQCPSM-HNNXBMFYSA-N 357.409 4.943 0 40 FJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 4910625 WODPQKLLGAEOMC-INIZCTEOSA-N 369.461 4.591 0 40 FJAB CCOc1ccc(C(=O)Nc2nn(CC)c3nc4cc(C)ccc4cc23)cc1 5477687 WTAIRQCRELXMFS-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)Cc1coc2cc(C)c(C)cc12 5628003 VJLTYSNTGWWLQG-UHFFFAOYSA-N 366.413 4.547 0 40 FJAB CC(C)(C)c1ccc(C2=Nc3ccccc3C(c3cccnc3)=NN2)cc1 6075433 MHVSDGNNCBWNFP-UHFFFAOYSA-N 354.457 4.813 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 6430042 UQTOQMXYUGMNGY-UHFFFAOYSA-N 365.454 4.747 0 40 FJAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1cccs1 6531436 CSIOEJTUCKHQJQ-UHFFFAOYSA-N 370.499 4.548 0 40 FJAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 6597867 XZOWONVNGBYESD-QGTPRVQTSA-N 352.405 4.788 0 40 FJAB Cc1c(C(=O)N[C@H](C)c2ccccc2Br)oc2ccccc12 6654414 JCRHAHSDESXURB-GFCCVEGCSA-N 358.235 4.995 0 40 FJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccccc1Cl 7191784 LQVHKEGPXKKXRN-LBPRGKRZSA-N 360.866 4.548 0 40 FJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc2c(c1)CCC2 7192004 BEPLIZQMIZCKBX-GFCCVEGCSA-N 368.433 4.728 0 40 FJAB COCCn1c(S[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O 7985861 DGUNYQJPNXFMSB-ZDUSSCGKSA-N 374.893 4.550 0 40 FJAB COc1cccc(CCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1OC 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0 40 FJAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)cc1 32736641 IQCAEFHAYOGIPD-UHFFFAOYSA-N 371.506 4.548 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1nc(-c2ccco2)sc1C 32772382 SLGHLUYLSDPUAJ-UHFFFAOYSA-N 374.437 4.522 0 40 FJAB COc1ccc(OC)c(Nc2nn(-c3ccccc3C)c(=S)s2)c1 32824425 DXQNHTHZWZDGDR-UHFFFAOYSA-N 359.476 4.733 0 40 FJAB Cc1cccc(/C=C2/CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)c1 33530487 BPROXMPPLKLYJH-JYRVWZFOSA-N 357.240 4.956 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccc(F)cc2)no1 48366610 HOTCILFTCSRXAP-ZDUSSCGKSA-N 351.381 4.815 0 40 FJAB Cc1nc(CN2CC[C@H](Nc3ccccc3)C2)oc1-c1ccc(Cl)cc1 75109103 LFYAKGRXZYAGFD-IBGZPJMESA-N 367.880 4.990 0 40 FJAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccsc1)SCC(O)=N2 79479215 DIFWHENPJGEMEV-HNNXBMFYSA-N 363.508 4.557 0 40 FJAB O=C(O)c1cccc2c1N[C@@H](c1cc(F)ccc1F)[C@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100195015 CHVWEFCXKUCBPM-AVLUTBSFSA-N 355.384 4.960 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219291402 VCNFZFJFQVGKKS-CXAGYDPISA-N 359.853 4.526 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219327731 CHROWMAJFDDAQW-OALUTQOASA-N 371.452 4.710 0 40 FJAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(C(C)(C)C)cc1 222650872 NAFZBYUHQRCNQM-OAHLLOKOSA-N 353.462 4.523 0 40 FJAB Cc1nc(NC(=S)NCCCc2ccccc2)c(Cl)cc1Cl 223960682 KHQWETCJRJJOOD-UHFFFAOYSA-N 354.306 4.616 0 40 FJAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225335765 HKYHNDGHWXBEEV-MRXNPFEDSA-N 371.352 4.697 0 40 FJAB Cc1cc(C)c(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C 225653245 FDQVDYDCPFWJOR-UHFFFAOYSA-N 369.852 4.587 0 40 FJAB CCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC(C)CC1 225834139 BDSAMGUACMPZEK-UHFFFAOYSA-N 359.388 4.638 0 40 FJAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C4CCC4)C3)c2)c1 257247946 JBGADUSLPDNBHD-LJQANCHMSA-N 364.489 4.572 0 40 FJAB COc1cc2c(cc1/C=C1/C(=O)N(c3ccccc3)c3ccccc31)OCO2 409206228 IMDFDLWUKPTSDP-WOJGMQOQSA-N 371.392 4.643 0 40 FJAB CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C)n1cccc1 526052505 KSZNKMAJAHGKSK-FXAWDEMLSA-N 366.509 4.883 0 40 FJAB CC(=O)O[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)C=C1C(C)C 1078028240 FSSCSAJMAPLBRB-DGYCAGFBSA-N 360.494 4.748 0 40 FJAB biogenic C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)CC[C@]43C)C1=CC=C2C1=CC(=O)OC1 1772492366 WKSLITSQKVNEJV-RNQZYAASSA-N 352.474 4.538 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 1775971091 FIZFZSPFRBLEEP-UHFFFAOYSA-N 358.290 4.973 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(F)cc(F)cc2s1 1508994 ZMXBAAMFGXLQSZ-UHFFFAOYSA-N 370.380 4.989 0 40 FJAB CC(C)C[C@H](C(=O)O)[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 2271928 PVRGUGDRQFLDMQ-HIFRSBDPSA-N 360.479 4.522 0 40 FJAB CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1 4602088 QXQWIRAOTVDXJI-KRWDZBQOSA-N 359.853 4.583 0 40 FJAB COc1ccc(/C=C\c2cccc(/C=C\c3ccc(OC)cc3)[n+]2C)cc1 4777733 SSGQWECMUVPJNV-PVRNWPCDSA-N 358.461 4.869 0 40 FJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 4854200 KLXDHGIOXYWTAQ-NRFANRHFSA-N 361.445 4.524 0 40 FJAB O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1ccco1 4953230 HVJWSJLRCWWJNS-UHFFFAOYSA-N 351.427 4.703 0 40 FJAB Cc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 5111276 GCELHWAQHDYMFE-UHFFFAOYSA-N 366.515 4.819 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)Oc1ccccc1 5137039 MBNQWINDNAGZDQ-UHFFFAOYSA-N 356.422 4.589 0 40 FJAB Cc1ccc(C)c(NC(=S)N(CCCN(C)C)Cc2cccs2)c1 5689719 FRYDRDFKPMJEJO-UHFFFAOYSA-N 361.580 4.516 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 6153816 AJNNGWPRTINQTA-UHFFFAOYSA-N 367.758 4.656 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)Oc1ccc(-c2nnco2)cc1 7976594 UPFIGKNEXDPWKJ-UHFFFAOYSA-N 370.364 4.784 0 40 FJAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H](C)C2CC2)cc1 8129320 UXUKUOSVWSTMMB-OAHLLOKOSA-N 363.436 4.515 0 40 FJAB COc1ccc(CC(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)cc1 8188111 ATWSSYOUVIBZPG-UHFFFAOYSA-N 372.424 4.993 0 40 FJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1c(Cl)cccc1Cl 8232521 WCRVVRKHCZLWFW-CYBMUJFWSA-N 355.290 4.831 0 40 FJAB CSc1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 8275175 JKFAWQFPLDVMET-UHFFFAOYSA-N 368.458 4.845 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8557409 BMOMMIVKRZTLNG-UHFFFAOYSA-N 364.489 4.863 0 40 FJAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063601 SYZDISIWOFUIFJ-UHFFFAOYSA-N 354.469 4.800 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 9992015 BVMIFELLWLBZOX-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB COc1cccc(CN2[C@H]3CC[C@@H]2c2cccnc2C3)c1OC1CCCC1 12222691 VBAZFRHWKXUWDK-LAUBAEHRSA-N 364.489 4.673 0 40 FJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCc2ccccc21 12391495 JCVVFLZXBHTKKH-UHFFFAOYSA-N 354.862 4.975 0 40 FJAB Cc1ccc2nc([C@H]3CCCN(C(=S)Nc4ccccc4C)C3)[nH]c2c1 13471850 PNWLCSZUPSYDGA-INIZCTEOSA-N 364.518 4.756 0 40 FJAB C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)c1cccs1 14117187 WBGVOANKZYHLOW-AVOUXACISA-N 367.605 4.928 0 40 FJAB CCOc1ccc(NC(=O)c2cc(OCC)c3cc(Cl)ccc3n2)cc1 15829213 SIWZDJZGXZMODT-UHFFFAOYSA-N 370.836 4.938 0 40 FJAB Cc1ccn(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)n1 16363092 MIJKZYVYXZXKLA-UHFFFAOYSA-N 367.452 4.951 0 40 FJAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1C 16506010 SWHYSSJTKYVGAM-UHFFFAOYSA-N 357.816 4.842 0 40 FJAB C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(F)cc1 16943119 FLNDGLKVEJWBCH-SNVBAGLBSA-N 353.260 4.636 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccn3C)no2)cc1 19291134 JDDPRPPZEQVYHX-OAQYLSRUSA-N 365.477 4.806 0 40 FJAB Cc1sc2c(C3CCN(C(=O)CC4CCCC4)CC3)nc(C)n2c1C 19561795 YQKVNYLYHWLRKS-UHFFFAOYSA-N 359.539 4.607 0 40 FJAB O[C@H](CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 19872524 IPORDDGVXNJJCR-GOSISDBHSA-N 372.262 4.532 0 40 FJAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cn1 21706954 KCYMOENSACYFKU-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB CC1(C)CC(=O)C[C@@]2(C1)NC[C@@H](c1ccccc1)c1c2[nH]c2ccccc12 25721230 RDUOSIUGTZVTHR-CYFREDJKSA-N 358.485 4.878 0 40 FJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccccc1Cl 28230752 BXFSWJLGTIAVQJ-UHFFFAOYSA-N 361.832 4.990 0 40 FJAB CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 35040473 HTSCRHAPGCCVRN-MHWRWJLKSA-N 373.886 4.948 0 40 FJAB CCCCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182139 YZEHKIIEGUFGMA-UHFFFAOYSA-N 365.502 4.721 0 40 FJAB O=C(C1CCCC1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 36675510 JPCHZFNLLLDOPW-UHFFFAOYSA-N 355.438 4.554 0 40 FJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3cccc(Cl)c3)c2c1 38487335 XCOLXIFLJGKCKS-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58426947 OLRPEUQIDITEQR-LBPRGKRZSA-N 372.519 4.992 0 40 FJAB CN(Cc1csc2ccccc12)C(=O)Nc1ccn(-c2ccccc2)n1 58534390 ZIDGANJNYGHHIN-UHFFFAOYSA-N 362.458 4.751 0 40 FJAB COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 59474608 FBLPHIGGFQKBBQ-HXUWFJFHSA-N 351.833 4.868 0 40 FJAB CCSc1cc(C(=O)N(c2ccc(OC)cc2)[C@@H](C)C2CC2)ccn1 60306633 PUBYEDWMVIVMKX-AWEZNQCLSA-N 356.491 4.648 0 40 FJAB CC(C)Cn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67258738 BODKKPSHEBYAJJ-UHFFFAOYSA-N 360.429 4.623 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc(Br)c1 71844258 OBTZSPHXKRIKJV-QZTJIDSGSA-N 373.294 4.643 0 40 FJAB COc1ccc(O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 80344397 HQNWIMYCNGLVML-HXUWFJFHSA-N 351.377 4.593 0 40 FJAB O=C(c1cc(-c2csc(-c3ccccc3)n2)n2ccccc12)N1CCCC1 96154878 DGELMDMCQOYMDC-UHFFFAOYSA-N 373.481 4.966 0 40 FJAB O=C(CCc1ccccc1)Nc1cccc(CC[C@H](O)c2ccccc2)c1 97000965 FUARBVPLQULKJF-QHCPKHFHSA-N 359.469 4.924 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(CO)c2ccccc21 216892290 PMGUIFAGEUWWQQ-LLVKDONJSA-N 364.228 4.548 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223092913 YZUGHUXJIFLDKY-OAHLLOKOSA-N 373.865 4.655 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCC2 223193550 FXRDKNFKVBBZGH-GOSISDBHSA-N 362.517 4.652 0 40 FJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C 224796269 ULUWUGDWVVOQDG-DEOSSOPVSA-N 359.469 4.760 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1Cl 225249049 OAVZBCFTBLXWIT-ZDUSSCGKSA-N 359.853 4.633 0 40 FJAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(C)c(C)c1 225711507 DLAKIESVQOSVQJ-GOSISDBHSA-N 356.491 4.528 0 40 FJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1c(C)cccc1C 225720206 FZGHYYQNPHFNAQ-ZHZULCJRSA-N 374.440 4.614 0 40 FJAB CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(Cl)ccc21 408713330 SZISLDMIUCLVEK-UHFFFAOYSA-N 360.885 4.518 0 40 FJAB CCCCOc1ccccc1/C=C1/N=C(c2ccc(OCC)cc2)OC1=O 409008830 LJNZJWVDBFYTHO-XDJHFCHBSA-N 365.429 4.609 0 40 FJAB O=C(Cc1ccccc1Cl)Nc1ccccc1-c1cn2c(n1)CCCC2 575619238 IVSFMQNUSXIGRP-UHFFFAOYSA-N 365.864 4.721 0 40 FJAB CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 1415857 VCPHVFVMLIOOQC-UHFFFAOYSA-N 360.442 4.621 0 40 FJAB COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3O[C@H]2c2ccccc2)cc1 1611244 RQEMHCIRNVNLNO-GGAORHGYSA-N 360.409 4.804 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 2397964 XOZRWKIWJISRBX-BUHFOSPRSA-N 368.392 4.507 0 40 FJAB CCN(CC)c1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1 2403352 ZEHQJDRDMBKLNQ-UHFFFAOYSA-N 363.490 4.674 0 40 FJAB COc1ccc(NC(=S)N2CCS[C@@H]2c2cccs2)cc1Cl 2727627 UVCLJPHIEWZRBV-CQSZACIVSA-N 370.952 4.855 0 40 FJAB O=c1oc2ccccc2cc1-c1cn(-c2ccc(F)c(F)c2)c(=S)[nH]1 2957837 NHDSFCZAQIYRJK-UHFFFAOYSA-N 356.353 4.586 0 40 FJAB Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 3239032 MGDXBNAPDLKWCP-UHFFFAOYSA-N 372.635 4.751 0 40 FJAB O=C(COc1ccccc1)Nc1nc2c(cc3c4c(cccc42)CC3)s1 4176275 KOMOTCJGSPBPPK-UHFFFAOYSA-N 360.438 4.566 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 4690817 WYXQAWIDSDRJJC-CYBMUJFWSA-N 362.267 4.980 0 40 FJAB CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1ccccc1Cl 4850387 VZXALEOPTRJTPU-UHFFFAOYSA-N 370.884 4.742 0 40 FJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1OCC 6219450 DIQHRDDUWRQIRN-UHFFFAOYSA-N 368.355 4.540 0 40 FJAB CCOc1ccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1OC 7333507 RSGVBULHVKVEBJ-JYRVWZFOSA-N 362.838 4.942 0 40 FJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1 7491671 SXKKUJXIPUGJOS-UHFFFAOYSA-N 354.789 4.544 0 40 FJAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c(F)c1 7910301 ONTSTSGHMZJFLY-KRWDZBQOSA-N 369.465 4.519 0 40 FJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(Cl)ccn1 7988992 PHESSGAZMAVOBF-UHFFFAOYSA-N 355.850 4.600 0 40 FJAB CCN(Cc1ccccc1)Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717810 CHCRYLRFGJHVEO-UHFFFAOYSA-N 370.880 4.933 0 40 FJAB Cc1cc(OCC(=O)Nc2cccc3ccccc23)ccc1Br 12463381 NCUYDNPSEKBSGS-UHFFFAOYSA-N 370.246 4.928 0 40 FJAB Cc1cccc(NC(=S)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 12654257 JLSDVIMVQOOHIF-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB Clc1ccccc1-c1nn2c(-c3cc4ccccc4[nH]3)nnc2s1 13691944 ZZSFEHCWYOVRSA-UHFFFAOYSA-N 351.822 4.655 0 40 FJAB COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccccc2)cc1OC 15106932 JEUWFULCNPWWBW-OAHLLOKOSA-N 365.454 4.906 0 40 FJAB CN(Cc1ccccc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 17334137 RHOGBOBINMNAFY-UHFFFAOYSA-N 353.425 4.569 0 40 FJAB Fc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccccn3)on2)cc1 19401750 PYVAGUSBPVQRTI-FQEVSTJZSA-N 351.425 4.993 0 40 FJAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCCc3ccccc3)nc2C1 20102014 FPVHNXHYGKCXLD-LJQANCHMSA-N 371.484 4.661 0 40 FJAB O=C(NCCc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 21773667 LJQQMGYABYAFQX-UHFFFAOYSA-N 370.374 4.740 0 40 FJAB CCc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)cc1 27027349 NKXLNBBDOZJAFT-UHFFFAOYSA-N 356.466 4.570 0 40 FJAB C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 32907545 XIDIRDVGSISWLP-CYBMUJFWSA-N 352.261 4.891 0 40 FJAB COc1cccc(OC)c1C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 38772819 BIKPGVBDSNJJBQ-QFIPXVFZSA-N 361.441 4.532 0 40 FJAB C[C@H](NC(=O)N(C)[C@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1 40135601 PNXWFHLFBKUQDZ-HRAATJIYSA-N 363.436 4.713 0 40 FJAB Cc1nc2c(cc(OCC(=O)Nc3ccccc3O)c3ccsc32)s1 43115632 UJICKPLCHULLDQ-UHFFFAOYSA-N 370.455 4.543 0 40 FJAB CCSc1ccc(C(=O)c2cccc(I)c2)cc1 43210163 IQXVLQXCOZZTKN-UHFFFAOYSA-N 368.239 4.634 0 40 FJAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1cnc2c(cnn2C(C)C)c1 48287805 QGSVGFQDVURWQR-UHFFFAOYSA-N 362.477 4.729 0 40 FJAB CCN(Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H](C)c1cccc(OC)c1 48355205 AMIIQQIXPIPHMQ-INIZCTEOSA-N 366.461 4.942 0 40 FJAB Cc1nnc(SCc2coc(-c3ccc(Br)cc3)n2)s1 49099488 KLEDYIOUEAADPQ-UHFFFAOYSA-N 368.281 4.556 0 40 FJAB O=C(NC1CC1)c1ccc(NCc2c(F)cccc2Cl)cc1Cl 55873137 QILIFSALQMACGO-UHFFFAOYSA-N 353.224 4.637 0 40 FJAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C1CC1)[C@H](C)c1ccco1 56181597 JWLRKQMSUCMKFH-CQSZACIVSA-N 350.418 4.538 0 40 FJAB CN(Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccccc2s1 58626126 DIJXQJDCNINMDP-UHFFFAOYSA-N 352.381 4.827 0 40 FJAB CC(=O)N[C@@H](CC(=O)O[C@H](Cc1ccccc1)C(C)(C)C)c1cccs1 69596398 VNYNZVMVOVDKQG-PKOBYXMFSA-N 373.518 4.516 0 40 FJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ccncc3)C2)n1 72356006 PBLJGXIWDFJSSZ-QHCPKHFHSA-N 357.501 4.755 0 40 FJAB C[C@@H](O)c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 84651536 ZGGBICPGEZKNJQ-MRXNPFEDSA-N 355.441 4.962 0 40 FJAB C[C@H](c1ccccn1)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 95456010 NXFLSYVFVRKBOW-GOSISDBHSA-N 369.468 4.687 0 40 FJAB CCOc1ccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 100844381 JPRJZZMWHIKAAD-QURGRASLSA-N 362.454 4.533 0 40 FJAB C[C@@]12C[C@H](NC(=S)N1c1cccc(Cl)c1)c1cccc(Cl)c1O2 101170185 ZMRGRFAHNXSYSA-WMLDXEAASA-N 365.285 4.928 0 40 FJAB CN1C(=S)S[C@@H](c2ccc(F)cc2)N(C)[C@@H]1c1ccc(F)cc1 105621748 CLPGBRILSIFVJQ-HOTGVXAUSA-N 350.459 4.558 0 40 FJAB CCOc1ccc(Oc2cc(CNc3ccnc(C4CC4)n3)ccn2)cc1 110249354 BOINPIIMOUXITR-UHFFFAOYSA-N 362.433 4.552 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113951942 JRJDVYHVZGLOQB-MOPGFXCFSA-N 361.869 4.774 0 40 FJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1c(F)cccc1Cl 215152282 IFQHQOQOJGXAKE-OVCLIPMQSA-N 365.788 4.855 0 40 FJAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 222948325 DTRAFTXTODECMR-IBGZPJMESA-N 367.489 4.663 0 40 FJAB CCCC[C@H](CC)CNC(=O)COc1cc(C)c(Br)c(C)c1 224243548 ALVUESCLUBHSAX-HNNXBMFYSA-N 370.331 4.777 0 40 FJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(C)c2C)cc1 224816638 HAEJVWQTZNXSBE-STZFKDTASA-N 374.440 4.614 0 40 FJAB CC[C@H]1N=C(c2ccccc2F)c2cccn2-c2cc3c(cc21)OCCO3 225375566 RDJVOJLIELJVGL-QGZVFWFLSA-N 362.404 4.690 0 40 FJAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC)cc3)CCCC2)cc1 225847249 SPCBXZMTHBLWIP-UHFFFAOYSA-N 370.518 4.850 0 40 FJAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 390829298 DJJHJAYKAOYTFE-INIZCTEOSA-N 357.523 4.603 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(C)cc(C)cc3C)S2)cc1 408784992 WQFHWTAGNVPKRQ-JAORQVBISA-N 352.503 4.774 0 40 FJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]21)c1ccccc1 409371511 KHZFFQBQVOFGLL-SCPDWHHUSA-N 369.464 4.699 0 40 FJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2OC)n1 634156 OAOCOYYDTYSNDC-UHFFFAOYSA-N 373.412 4.873 0 40 FJAB CCc1ccccc1NC(=S)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1358314 FCFAKPAEHBEVDM-INIZCTEOSA-N 364.518 4.702 0 40 FJAB CCCCOC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778558 YXQWIILPFRMCGO-NEPJUHHUSA-N 364.536 4.640 0 40 FJAB CCn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1cccs1 2617236 UOPBCJSUIWTXGK-UHFFFAOYSA-N 369.471 4.748 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(I)cc1 3058148 XCMXYHLBKVJLIH-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB COc1cc2ccccc2cc1C(=O)OCc1ccc(Br)cc1 3253668 OHPGHIQKFJIWFQ-UHFFFAOYSA-N 371.230 4.968 0 40 FJAB CSc1ccc(/C=C/C(=O)Nc2nc(-c3ccncc3)cs2)cc1 3296628 BTJHNZRILDGEHS-QPJJXVBHSA-N 353.472 4.579 0 40 FJAB Brc1cc(Br)c2nc(-c3ccc[nH]3)ccc2c1 4053884 SOZJZUGULOXZQA-UHFFFAOYSA-N 352.029 4.755 0 40 FJAB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3C)ns2)cc1 4167443 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FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709002 VDVIDKLGQMXKFR-KRWDZBQOSA-N 365.498 4.824 0 40 FJAB CC(C)N(Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S 14234076 BLYWLCNYCLDPPG-UHFFFAOYSA-N 370.497 4.625 0 40 FJAB Cc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c2ccccc2n1 14901488 OXJPQUYDNKLEBM-UHFFFAOYSA-N 367.355 4.645 0 40 FJAB O=c1nc(SCc2ccccc2Cl)c2c(n1-c1ccccc1)CCC2 15840403 COXDJMTWTFYAEA-UHFFFAOYSA-N 368.889 4.667 0 40 FJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccccc1OC 16015042 JGZLDIXBPBJBHG-UHFFFAOYSA-N 367.470 4.608 0 40 FJAB COc1ccc(/C=C\c2cccc(/C=C/c3ccc(OC)cc3)[n+]2C)cc1 17299049 SSGQWECMUVPJNV-MFUUIURDSA-N 358.461 4.869 0 40 FJAB CC(C)n1c([C@H](C)NC(=O)C(C)(C)c2cccc(F)c2)nc2ccccc21 19718506 NLBISBVBTWVZJI-HNNXBMFYSA-N 367.468 4.911 0 40 FJAB Cc1ccccc1[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1 20105822 DCMXWUJAUSQJHZ-JOCHJYFZSA-N 365.860 4.933 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccccc3C)sc2c1 20411389 ZJCVJTJIFQLIGU-UHFFFAOYSA-N 368.458 4.814 0 40 FJAB CCOc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cn3)cs2)cc1 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369.396 4.696 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)CCCOc2ccccc2C)cc1 58045530 SEYONQFPNPTPAQ-FQEVSTJZSA-N 353.462 4.526 0 40 FJAB CC[C@H]1CCCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 60389523 DBZYIUSHRZIKBR-SFHVURJKSA-N 361.489 4.749 0 40 FJAB CSc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccn1 62017892 VHCZLWRSLQXDSJ-UHFFFAOYSA-N 362.498 4.689 0 40 FJAB COc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1F 71760505 ACHWAVJMYQATMT-UHFFFAOYSA-N 360.332 4.542 0 40 FJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCCN1 72215874 GGYFIXHRPVCFLA-SFHVURJKSA-N 353.466 4.969 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccccc4F)C3)o2)s1 72390092 HMUYDNZUYYWMCB-HNNXBMFYSA-N 357.454 4.625 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)cn2)cc1C 78702929 DZTBGZKTCJJWRX-MRXNPFEDSA-N 369.465 4.522 0 40 FJAB CCn1c(C)cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c1C 95369251 UQUJMHKSCCZWFI-UHFFFAOYSA-N 359.376 4.527 0 40 FJAB Brc1cccc2c1-c1c(Br)cccc1COC2 95470386 GVMWNGYMUNCPHI-UHFFFAOYSA-N 354.041 4.909 0 40 FJAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)C(c1ccccc1)c1ccccc1 206761438 PBFDUDVWYXYKPO-YOFSQIOKSA-N 351.515 4.704 0 40 FJAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)cc(C)c1Br 218832535 OIVYFUSYSFSXPK-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC)cc1OC 222908250 PRAMXTADNTYOKG-LJQANCHMSA-N 371.477 4.797 0 40 FJAB CCOc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1Cl 222983695 OZQVKMFFCBZXDA-UHFFFAOYSA-N 352.261 4.755 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccccc2)s1 223254426 BPAPGJCWHNKVKE-MRXNPFEDSA-N 367.474 4.618 0 40 FJAB O=C(CSCc1cccc(Cl)c1)NCCc1ccc(Cl)cc1 223404085 SKKVCOJOORPQGE-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)c1 223903798 KWDKXSSAUIWTFM-QGZVFWFLSA-N 357.469 4.774 0 40 FJAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1cccnc1 223996939 GDKQULMUIVRLCZ-UHFFFAOYSA-N 359.926 4.924 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1Cl 226255403 PMMCUKCWPLXEGK-CQSZACIVSA-N 357.885 4.862 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1C 408681145 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O=c1[nH]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc12 3848459 SRYBIXPURMTCCU-UHFFFAOYSA-N 367.202 4.613 0 40 FJAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)C(C)C 4554773 KDHZJQKUZJIRPD-UHFFFAOYSA-N 354.450 4.665 0 40 FJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1Cl 5083808 NYRZWACFAGFHJH-UHFFFAOYSA-N 353.834 4.969 0 40 FJAB COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CCOC(C)(C)C2)cc1 5111620 NLWQHUJPYGLWDJ-FQEVSTJZSA-N 367.489 4.604 0 40 FJAB COc1ccc(N2C(=O)S/C(=C/C(C)=C/c3ccccc3)C2=O)cc1 5376132 CTJOCVJEXKGWMK-FBRLRESOSA-N 351.427 4.882 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccccc1F)C3 5516339 GIAJGEFLEVWJGK-UHFFFAOYSA-N 359.784 4.504 0 40 FJAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 6396944 SDZPSWYSYASZQR-UHFFFAOYSA-N 354.450 4.855 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 6582570 WVJICQLVNRUKRF-UHFFFAOYSA-N 355.821 4.765 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 6810709 OQNCACLWXSETHU-UHFFFAOYSA-N 373.408 4.537 0 40 FJAB CC[C@H](C)Cc1c(C)sc2nc(CNc3ccc(F)cc3)[nH]c(=O)c12 7002507 GSYUWFQCTOPCOF-NSHDSACASA-N 359.470 4.633 0 40 FJAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)c1 7615829 MVUACNUMUAAJOA-HNNXBMFYSA-N 367.836 4.527 0 40 FJAB Cc1nc(COc2ccccc2C(=O)Nc2cc(F)ccc2C)cs1 7920176 ZZYAQJOFALSUCL-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB Cc1ccc(N(C(=O)c2cnccn2)c2nc3ccccc3s2)cc1F 7986701 OXBFJRVGZUBYCV-UHFFFAOYSA-N 364.405 4.512 0 40 FJAB CC[C@@H]1CCCCN1Cc1c(C)nc2ccc(N(CC)CC)cc2c1O 8717368 OHEYTYLJKWSRBY-QGZVFWFLSA-N 355.526 4.860 0 40 FJAB Cc1cccc(OCc2nc(C)c(C(=O)NC3CCCCCC3)s2)c1 9251005 UWEWDFHQPYCTSZ-UHFFFAOYSA-N 358.507 4.792 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)cc3O)s2)cc1 12999646 DKJGSHATOYKTEQ-UHFFFAOYSA-N 368.458 4.605 0 40 FJAB C[C@H](NCC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1Cl 13040168 LXVKUPUJLVMJRY-NSHDSACASA-N 371.695 4.614 0 40 FJAB CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c(C(=O)c5ccccc5)c(O)c4[C@H]1[C@H]23 13403681 BQIVXBUAUNSLAJ-IMPXJYISSA-N 364.441 4.630 0 40 FJAB biogenic,in-vitro O=C1C[C@@H](c2ccc(F)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15081540 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4.522 0 40 FJAB Cc1ccccc1Cn1ccn2nc(-c3cccc4ccccc34)cc2c1=O 67260723 YQVCESGDAGJHKW-UHFFFAOYSA-N 365.436 4.673 0 40 FJAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 72193695 BBHCCQOHDJALFB-VMPITWQZSA-N 355.615 4.939 0 40 FJAB Clc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccncc3)C2)c1 72358566 UNZIMRZJURTYMV-SFHVURJKSA-N 364.880 4.572 0 40 FJAB Cc1nnc(Nc2cccc(C3CCN(C[C@H]4CC=CCC4)CC3)n2)s1 72376181 NMARUWCPYUILIL-INIZCTEOSA-N 369.538 4.521 0 40 FJAB OC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@@H](c2ccncc2)SC1 79493872 ISZVXPIPKZWNRT-QGZVFWFLSA-N 372.494 4.693 0 40 FJAB CC(C)c1nc2ccc(N[C@H](C)C(=O)Nc3cccnc3Cl)cc2s1 84631208 ZHDYYSSLLZQETM-LLVKDONJSA-N 374.897 4.907 0 40 FJAB Cc1ccc(-c2nnc(CCC(=O)NC3CC(C)(C)CC(C)(C)C3)o2)cc1 95464379 RLQBVAVZKUTVTO-UHFFFAOYSA-N 369.509 4.699 0 40 FJAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 100150204 OATWVEOEZQIVDY-NXHRZFHOSA-N 372.468 4.570 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C(C)C)cc1 218962725 KTVQJXAQRLYNNT-HXUWFJFHSA-N 367.489 4.916 0 40 FJAB 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NC(=O)[C@H](Sc1ccc(Cl)c(F)c1)c1ccc(Br)cc1 1189684278 PEBSRDLVFIPWNO-CYBMUJFWSA-N 374.662 4.560 0 40 FJAB CN(Cc1ccc(Cl)cc1)c1nc(-c2cc(F)cc(F)c2)ns1 1654877606 RACLQROKLAWGPN-UHFFFAOYSA-N 351.809 4.773 0 40 FJAB C[C@]12CC[C@H]3[C@H](CC[C@@H]4CC(=O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1 1772492368 WKSLITSQKVNEJV-YIQKULIMSA-N 352.474 4.538 0 40 FJAB C[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1 1844846 JQSHEDRVRBSFCZ-YWZLYKJASA-N 355.528 4.953 0 40 FJAB in-man CCOc1ccc([C@H]2N(c3ccccc3)N=C(C(C)=O)N2C(C)(C)C)cc1 2138732 WIUWKIVQJKJRHG-OAQYLSRUSA-N 365.477 4.607 0 40 FJAB Cc1ccccc1-c1noc(-c2ccc(OC(=O)c3ccccc3)cc2)n1 3584779 QFBSIKRCXPBFSW-UHFFFAOYSA-N 356.381 4.931 0 40 FJAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(C)cccc2s1 4359459 YMADNFKFLDVVNR-UHFFFAOYSA-N 373.547 4.655 0 40 FJAB CC(C)(C)c1ccc(OCCSc2nnnn2C2CCCCC2)cc1 4547229 ZGRPEWFYWVYNRM-UHFFFAOYSA-N 360.527 4.647 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854354 BLUYLIWVPLGBFN-IBGZPJMESA-N 369.827 4.918 0 40 FJAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 5415539 IIFPNGAIPMIDRQ-RPOIFPIJSA-N 362.640 4.649 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5467959 MHIIRUISZBFHSO-ZBFHGGJFSA-N 370.880 4.845 0 40 FJAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 5526449 YGRPWEQCDLKBET-RCCKNPSSSA-N 357.409 4.653 0 40 FJAB CCc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 5598738 SORVBNXWIUFBAL-UHFFFAOYSA-N 353.443 4.842 0 40 FJAB COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OC(C)C)cc1OC 5607548 HTIFFWAVKQAKKY-UHFFFAOYSA-N 374.820 4.918 0 40 FJAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 6154055 ZTIISJQLZUUELR-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CSc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)cc1 6362989 WCAMWGXKOWYJGG-RUDMXATFSA-N 352.864 4.563 0 40 FJAB CCc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2OC)cc1 6870932 SNMDZUWBTYYMRR-UHFFFAOYSA-N 350.462 4.529 0 40 FJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc2ncsc2c1 6948356 FATUIBJHXUPUIX-UHFFFAOYSA-N 352.440 4.777 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Oc2ccccc2)cc1 6987582 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CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 15974711 IZNSZPNIPLORNP-CQSZACIVSA-N 363.483 4.584 0 40 FJAB Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3cccs3)cs2)n1 17012075 GIPYPQMPVYAAIS-UHFFFAOYSA-N 372.500 4.680 0 40 FJAB Cc1ccc(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20043768 GEPLRDIRKWONAT-QFIPXVFZSA-N 365.498 4.512 0 40 FJAB COc1c(C)cccc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20143052 YRVCVUPNDFJRAF-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)s1 27922560 TVJJLBMOZBWKDD-UHFFFAOYSA-N 359.882 4.824 0 40 FJAB Cc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)c(C)c2c1 28404835 VIVGPUXLPKGGLH-UHFFFAOYSA-N 351.431 4.608 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1cccs1 31524714 VHIPQJYMUBRDMK-UHFFFAOYSA-N 373.909 4.535 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c(O)c1 32090542 FVRVHNKUEIEQTL-UHFFFAOYSA-N 355.397 4.563 0 40 FJAB CC(C)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 32666278 RPKQWZJWOYPBCZ-ZHACJKMWSA-N 352.459 4.813 0 40 FJAB CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 51354290 PDOLKMVHDPUYOP-UHFFFAOYSA-N 353.205 4.814 0 40 FJAB COc1cc(NC(=O)[C@@H](C)SCc2ccccc2)c(OC)cc1Cl 57557601 MIKIKURUBUEMPQ-GFCCVEGCSA-N 365.882 4.618 0 40 FJAB CCCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OCC 60481433 ZQOORCFICIUDMJ-NTUHNPAUSA-N 355.434 4.622 0 40 FJAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(C)n(C4CC4)c3C)cc2F)n1 65007844 JJNWKTZYIRALGX-UHFFFAOYSA-N 366.440 4.634 0 40 FJAB COc1ccc2nc(C)c(C(=O)N(C3CCCC3)C3CCCC3)cc2c1 71842105 OFEMDQQHYBUDDF-UHFFFAOYSA-N 352.478 4.879 0 40 FJAB Cc1ccc(-c2noc([C@H]3CCN(Cc4cccc5cccnc45)C3)n2)cc1 72369984 MSDUWWYIJKGSRE-FQEVSTJZSA-N 370.456 4.583 0 40 FJAB CN(Cc1ccccc1)C(=O)CSCc1c(Cl)cccc1Cl 78582540 MURZZFSRTXOOBB-UHFFFAOYSA-N 354.302 4.885 0 40 FJAB O=C1c2ccccc2N[C@@H](c2csc3ccccc23)N1C[C@@H]1CCCO1 95946988 BJHVIKMRLMWEEF-VBKZILBWSA-N 364.470 4.647 0 40 FJAB CC1=C(C(=O)OC2CCCCCCC2)[C@H]2C[C@](C)(N1)Oc1ccccc12 101521248 CXKOADCTJMEVBY-PGRDOPGGSA-N 355.478 4.802 0 40 FJAB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3nc(C)nn32)cc1 102667631 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FJAB FC(F)(F)c1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225780150 VOFIYHYKYCEXKA-UHFFFAOYSA-N 374.815 4.724 0 40 FJAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c2cccnc12 225901144 GJNLTTQIWNYSJM-BTYIYWSLSA-N 356.466 4.557 0 40 FJAB CCc1ccc(-c2n[nH]c(SC[C@@H](OC)c3ccc(F)cc3)n2)cc1 1640696513 GMZHNXMQHKPZIW-QGZVFWFLSA-N 357.454 4.653 0 40 FJAB Fc1ccc(CNc2ncccc2-c2nc(-c3cccc(F)c3)no2)cc1 1889131805 KLRWJQOZDGUOPH-UHFFFAOYSA-N 364.355 4.689 0 40 FJAB O=S(=O)(Nc1nc2c(Cl)cccc2s1)c1ccc2ccccc2c1 682891 QAYQIGKOGVVODE-UHFFFAOYSA-N 374.874 4.904 0 40 FJAB Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1 811889 PTYKTEYVZUVZBD-UHFFFAOYSA-N 372.424 4.721 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 882963 NBJDAANZRMLCDG-UHFFFAOYSA-N 363.486 4.520 0 40 FJAB CCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)Nc1ccccc1-2 996609 BEZUOEBCZDLUNP-SFHVURJKSA-N 364.474 4.716 0 40 FJAB Cc1cccc(-c2cc3nc4c(c(N5C[C@H](C)C[C@@H](C)C5)n3n2)CCC4)c1 1340974 QNXSKFGTXRPOHF-IAGOWNOFSA-N 360.505 4.676 0 40 FJAB CN1CCCCCC[C@@H]1COC(=O)C(c1ccccc1)c1ccccc1 1746973 JFCAIPHAGUDUPW-OAQYLSRUSA-N 351.490 4.626 0 40 FJAB O=S(=O)(/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1 3353088 HVSMMGMOGXMVNZ-MDZDMXLPSA-N 357.656 4.547 0 40 FJAB Cc1cc(SCC(=O)N[C@H](C)CCc2ccccc2)nc2ccccc12 3370500 VXQPNEUSVCBWTD-QGZVFWFLSA-N 364.514 4.773 0 40 FJAB CSc1nc2ccc(NC(=O)c3ccc4ncsc4c3)cc2s1 4088343 JKWMAUWMNTVOHX-UHFFFAOYSA-N 357.485 4.880 0 40 FJAB CCOc1ccccc1NC(=O)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4523672 DZBNRLJJOLPANB-PGYJIRRASA-N 368.304 4.880 0 40 FJAB c1ccc2c(-c3nc4ccccn4c3Nc3ccc4c(c3)OCO4)c[nH]c2c1 4597424 RJZBTSITWNKLSC-UHFFFAOYSA-N 368.396 4.955 0 40 FJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1Cl 4679431 ISMZHFQHLZJOCO-UHFFFAOYSA-N 359.832 4.601 0 40 FJAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4815062 VQSKEVGFVMICGS-WOJBJXKFSA-N 374.488 4.700 0 40 FJAB O=C(CCC1CCCCC1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 5083951 JQCDYXJGOAZYKV-UHFFFAOYSA-N 355.507 4.955 0 40 FJAB Clc1ccccc1CSc1nc2cc(Br)cnc2[nH]1 5248910 CZECHOMPTGSLAE-UHFFFAOYSA-N 354.660 4.666 0 40 FJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ncnc2ccccc12 5519833 IRCORIWVRRSOJN-IIDMSEBBSA-N 358.507 4.726 0 40 FJAB COc1ccc(C(C)(C)C)cc1NC(=O)CN[C@H]1CCCc2ccccc21 6022941 MGMZYAITGWMTEP-IBGZPJMESA-N 366.505 4.598 0 40 FJAB COc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(OC)c1 6170234 OTNJXKCDFQEIRV-HMMYKYKNSA-N 359.425 4.883 0 40 FJAB Cc1ccc(C(=O)CCC(=O)OCc2csc(-c3ccccc3)n2)cc1 6602741 FNFDRTSBOAGOHN-UHFFFAOYSA-N 365.454 4.825 0 40 FJAB Cc1ccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5s4)c3C2)cc1 6661973 LYLUPFMXCNGYJB-HNNXBMFYSA-N 359.454 4.703 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1Cl 6953634 BEEYNXLNSDDAET-UHFFFAOYSA-N 371.687 4.920 0 40 FJAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 8033811 DQHUSWAIVZDQML-NSHDSACASA-N 357.759 4.615 0 40 FJAB Cc1nc2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc2n1-c1ccccc1 8134318 MAHBRIRHEIGOBI-UHFFFAOYSA-N 370.456 4.652 0 40 FJAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1[C@H](C)c1ccccc1 9315326 IOFOJLIFGORICJ-QGZVFWFLSA-N 357.457 4.947 0 40 FJAB C[C@H](OC(=O)c1ccc(Cl)cc1N)c1nc2ccccc2n1C(F)F 9467772 IFLWHEGXTDIKAZ-VIFPVBQESA-N 365.767 4.585 0 40 FJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)nc1Cl 9482799 XWRIPAIBLBKCHG-UHFFFAOYSA-N 351.111 4.539 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 10289283 UBENVCJTZWYTDT-YWZLYKJASA-N 369.461 4.869 0 40 FJAB O=C(C[C@@H]1C=CCC1)Nc1nc(-c2ccc(Br)s2)cs1 10573649 KXJKUQAGUHKVQH-SECBINFHSA-N 369.309 4.929 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1cccc(NC(=O)c2ccco2)c1 11009322 XFLNOQDBMQXCFH-UHFFFAOYSA-N 355.781 4.829 0 40 FJAB COCCNc1oc2c(c1-c1cccc(F)c1)c(=O)oc1ccc(C)cc12 11614793 ZWCKFWFQCOZPKJ-UHFFFAOYSA-N 367.376 4.712 0 40 FJAB O=C(CCc1cccs1)Nc1cc(-c2ccccc2)sc1C(=O)O 12600645 RFGJEOKZENCZSP-UHFFFAOYSA-N 357.456 4.746 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(C)cc1 13646067 ZAFLHKZUIPJYHP-QGZVFWFLSA-N 357.519 4.623 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)Nc3nnc(C(C)C)s3)o2)cc1 16708821 CZKPTLYNPIEEGQ-UHFFFAOYSA-N 371.462 4.501 0 40 FJAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)c2ccccc2)cc1 22514175 POKJTPTUNUXKLP-WMZHIEFXSA-N 359.469 4.977 0 40 FJAB c1ccc(CCNCc2cn(-c3ccccc3)nc2-c2cccs2)cc1 23424899 TUAXLKKLNJZXJH-UHFFFAOYSA-N 359.498 4.933 0 40 FJAB O=C(NCc1ccco1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 29460141 GNTALSLYRIQKCI-FYWRMAATSA-N 370.408 4.838 0 40 FJAB COc1ccc(OCCCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 38773196 JLTANHKSUBSODB-OAQYLSRUSA-N 355.478 4.758 0 40 FJAB Cc1c(F)cccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 40478310 CFEWSNTYJGSPIM-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 47209395 WFODYZNUQGEQLU-OAHLLOKOSA-N 357.450 4.542 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)s1)c1ccco1 55311670 ZJOVUOTXPLCIQJ-GFCCVEGCSA-N 372.471 4.632 0 40 FJAB Cc1cc(CNC(=O)Cc2coc(-c3ccccc3)n2)c2[nH]c(C)c(C)c2c1 65726150 HWYRYBNLYZTWLN-UHFFFAOYSA-N 373.456 4.607 0 40 FJAB CCCCCn1c(SCCc2ccccc2)nc2ccccc2c1=O 67258984 ZOMITDMSRUSZDX-UHFFFAOYSA-N 352.503 4.922 0 40 FJAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C 72272860 VBLZVNNAKXXYRG-OALUTQOASA-N 373.924 5.000 0 40 FJAB COc1ccc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 72390148 ICGMREFNADJDRV-KRWDZBQOSA-N 355.463 4.534 0 40 FJAB Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)nc(C(C)C)n1 78404387 BTLDPCYUPKCBGM-UHFFFAOYSA-N 363.383 4.598 0 40 FJAB CC[C@@H](C)c1ccc(OCCN2C(=O)C[C@@H](C)Nc3ccccc32)cc1 82087099 FIFKZVOYAFUXIE-IAGOWNOFSA-N 352.478 4.816 0 40 FJAB COc1ccc(CCN2CCC[C@@H]2COCc2ccc(Cl)cc2)cc1 211481029 JIXVFJJVFSAYBJ-HXUWFJFHSA-N 359.897 4.572 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(C(C)(C)C)c3)N21 222686997 QXJMUZCGPKYQTO-BPQIPLTHSA-N 354.523 4.618 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 223348507 ZPQXOXQWRIUVDV-NRFANRHFSA-N 353.506 4.902 0 40 FJAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(Cl)ccc1SC 223439510 JUVSOVLGGMPOSW-UHFFFAOYSA-N 369.939 4.988 0 40 FJAB CC(C)c1ccccc1OCCNC(=O)COc1ccccc1C(C)(C)C 223828160 WMKQQTHFJJPVSG-UHFFFAOYSA-N 369.505 4.682 0 40 FJAB S=C(NCc1ccncc1)Nc1ccc(CSc2ccccc2)cc1 225333380 SHRYRFVQXROVQK-UHFFFAOYSA-N 365.527 4.861 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccccc1 225482851 LZDTXFLDRGNSSN-INIZCTEOSA-N 351.475 4.681 0 40 FJAB CC(C)(C)CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257246463 IUFSRQIYWGQTQU-MRXNPFEDSA-N 358.457 4.547 0 40 FJAB CCOC(=O)[C@H]1Oc2ccc(Cl)cc2[C@H](C)c2cc(Cl)ccc2O1 261506604 GIGXYLNNCMPCGM-QHKAPQIGSA-N 367.228 4.806 0 40 FJAB Cc1noc(-c2cccnc2N2CCC(c3c(C)[nH]c4ccccc34)CC2)n1 301335081 CMVAPPORJIXSRP-UHFFFAOYSA-N 373.460 4.614 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccco2)cc1 855733 SNKQCAXLPTTWPH-UHFFFAOYSA-N 374.318 4.803 0 40 FJAB CCOc1ccccc1NC(=O)/C=C/c1ccc(OCC)c(OCC)c1 936332 DOXYJQAWTKZGGQ-WYMLVPIESA-N 355.434 4.535 0 40 FJAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NC(C)(C)C 2647650 GJMVBQUZFLMEKW-ZDUSSCGKSA-N 350.812 4.710 0 40 FJAB Cc1cccc(C)c1NC(=O)CCCSc1ccc2c(c1)OCCO2 2658078 IUKMMKDCJQDTQH-UHFFFAOYSA-N 357.475 4.586 0 40 FJAB Cc1ccc(C)c(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 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LYTQGGMMEKBUJD-KUYCERQYSA-N 374.484 4.867 0 40 FJAB Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1 7195799 DOMCRYRLYVTDJZ-LLVKDONJSA-N 361.517 4.694 0 40 FJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Br)cc1F 8224169 UVOLAOLEVVQUFV-SNVBAGLBSA-N 354.244 4.708 0 40 FJAB Cc1ccccc1Cn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)cn1 8571171 WLBVSIOEFZNUSF-UHFFFAOYSA-N 358.804 4.676 0 40 FJAB COc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 10111775 WOQZYJIPEZQYKH-AWEZNQCLSA-N 371.477 4.501 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(C(C)C)cc2)c1 10445610 VXNJUTBQDWMUAW-UHFFFAOYSA-N 353.462 4.866 0 40 FJAB CC(=O)[C@@H](C)Oc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 11765757 XYHFYOHLYNBENE-CQSZACIVSA-N 370.832 4.702 0 40 FJAB CCc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12620089 SJNIXSXPZWEABT-UHFFFAOYSA-N 363.436 4.623 0 40 FJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@H]1c1cccnc1 12736302 COYPIASMGSKTGQ-IBGZPJMESA-N 360.482 4.886 0 40 FJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1C 13514173 XVLVCKSRTGIXPQ-UHFFFAOYSA-N 362.473 4.643 0 40 FJAB O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1ccc2ccccc2c1 13672566 JOBASKSXTTXWGX-UHFFFAOYSA-N 367.470 4.962 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3ccccc3)cc2c1 13712192 YBLADFBRHGWNSU-UHFFFAOYSA-N 374.484 4.950 0 40 FJAB Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cc3ccccc3o2)n1 16996401 DYIHZMFYIVVZRC-UHFFFAOYSA-N 371.322 4.629 0 40 FJAB Cn1c(SCc2ccccc2F)nnc1-c1csc2c1CCCC2 17074157 USTDKUVAKCUPAJ-UHFFFAOYSA-N 359.495 4.854 0 40 FJAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 20495180 JEXLRMFYNJLXQL-UHFFFAOYSA-N 364.489 4.547 0 40 FJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccc(F)cc2)o1 27980067 OGZKICLNIUPREI-HXUWFJFHSA-N 365.404 4.805 0 40 FJAB CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29542515 NQSCCOJUMTULFL-UHFFFAOYSA-N 352.409 4.924 0 40 FJAB COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1OCc1cccnc1 30543944 AUWVOGJMPZSHDS-JOCHJYFZSA-N 374.484 4.836 0 40 FJAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C 35476408 AAQYGJGPDDLQAM-SFHVURJKSA-N 363.910 4.791 0 40 FJAB Cc1c(Cl)cccc1Nc1c(-c2ccc(O)cc2)nc2cnccn12 35616182 HQYCMVQEUPIZEQ-UHFFFAOYSA-N 350.809 4.807 0 40 FJAB C[C@@H](SCc1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 40067440 OHPIVRBEPLBUEY-GFCCVEGCSA-N 373.865 4.650 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838378 QCOOZTKINGQPEH-OAHLLOKOSA-N 353.425 4.821 0 40 FJAB COc1ccc(NC(=O)NCc2cccc(C)c2)cc1OC1CCCC1 58090924 WEWMLDNTPZBAMK-UHFFFAOYSA-N 354.450 4.647 0 40 FJAB Cc1cc(/C=C/c2ncc(C(=O)O)s2)cc(C)c1OCc1ccccn1 58344366 QBFRKVYHWQNKEG-VOTSOKGWSA-N 366.442 4.603 0 40 FJAB Cc1cccc(Cc2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)c1 63836977 OGYODQNQDNTWEO-UHFFFAOYSA-N 364.445 4.998 0 40 FJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)c1 72277151 KUEMYTDRMNIWAM-PKTZIBPZSA-N 373.500 4.600 0 40 FJAB Cc1nc2cc(F)cc(C(=O)Nc3ccc(-c4ccccc4)cn3)c2nc1C 84057258 MGTBHQOWPBIKKS-UHFFFAOYSA-N 372.403 4.700 0 40 FJAB Cc1nc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccn12 95446442 QRWDFUZMJWMPCC-UHFFFAOYSA-N 372.428 4.757 0 40 FJAB Cc1ccc(C2=C[C@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 102405515 WWDQBTDMYVINHD-QGZVFWFLSA-N 356.351 4.661 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 109739507 DRGDYQQEWPKTSH-UHFFFAOYSA-N 358.369 4.543 0 40 FJAB CCOc1ccccc1CCCNC(=O)COc1ccccc1C(C)(C)C 222797520 CQSUFTFCOSFVDA-UHFFFAOYSA-N 369.505 4.511 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(C)cc1 222947878 WOXXNLVCOHRAEP-FQEVSTJZSA-N 371.546 4.819 0 40 FJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)Nc1cccs1 225626581 OVLZGSUKJGFFCX-UHFFFAOYSA-N 350.403 4.904 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 225914138 ZEYJJPTVWXDVGV-MRXNPFEDSA-N 374.488 4.588 0 40 FJAB COc1c(Br)cc(Cl)cc1/C=C1\C(=O)Nc2ccccc21 409116482 PKOISXXVPMPUMY-GHXNOFRVSA-N 364.626 4.604 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-c2ccco2)o1 575608719 KHPFEZHEQZMPIU-UHFFFAOYSA-N 366.200 4.542 0 40 FJAB CCN(CC)CC(=O)Nc1c(C)cc(C)cc1Nc1ccc(C)cc1C 670421060 AJNGNUZEAQOQIA-UHFFFAOYSA-N 353.510 4.944 0 40 FJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](c2ccccc2)CC1 1537925866 RBQXWVAJCUAEBW-KRWDZBQOSA-N 350.245 4.597 0 40 FJAB Cc1ccc(OC(=O)COc2ccc(Cl)cc2C)c(Br)c1 673867 MZJXZACICPXGEK-UHFFFAOYSA-N 369.642 4.704 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2nccnc2c1 703938 BPRRNZUKKIBQRK-UHFFFAOYSA-N 351.715 4.554 0 40 FJAB O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccccc1 783558 VSRNUXWDUQFXQC-UHFFFAOYSA-N 362.429 4.817 0 40 FJAB CCOC(=O)c1c(C)[nH]c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1 1074210 AVAIVUJMZDLBEX-UHFFFAOYSA-N 365.429 4.851 0 40 FJAB CC1(C)[C@]2(C(=O)NC(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)C2 2875756 RLVRPDWBTNFNJU-BJKOFHAPSA-N 361.485 4.678 0 40 FJAB CCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2O)ccc1OCC(C)C 3365491 KZJHHZQVOVESGJ-DHZHZOJOSA-N 369.461 4.786 0 40 FJAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccccc1Cl 4117930 SEDGQKNLUOXZEG-UHFFFAOYSA-N 352.846 4.827 0 40 FJAB Cc1ccc(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 4120349 LEKCFFUBVLAVCH-UHFFFAOYSA-N 368.546 4.643 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)o2)cc1C 4887798 JECPOQGJSSASLC-UHFFFAOYSA-N 364.470 4.817 0 40 FJAB O=C1C[C@H](c2cccc(Oc3ccccc3)c2)c2cc3c(cc2N1)OCCO3 4911700 WPLILFDIGLIBDP-GOSISDBHSA-N 373.408 4.724 0 40 FJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1 5164652 HMOJGKUPOBIJBW-TZRRMPRUSA-N 365.517 4.872 0 40 FJAB O=C(c1ccccc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5265190 CXDKWRDAMMATEI-UHFFFAOYSA-N 363.417 4.677 0 40 FJAB CCOCc1c(C(=O)Nc2cc(OC)c(OC)cc2C)oc2ccccc12 6258957 VEJBXKOETXHOOK-UHFFFAOYSA-N 369.417 4.547 0 40 FJAB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1 6284871 DSKVUXBVLONUFV-QGZVFWFLSA-N 352.478 4.515 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1F 6503850 VBZZDWUJPSUVGZ-UHFFFAOYSA-N 358.463 4.988 0 40 FJAB Oc1cccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)c1 6567042 ZTADDIXJCZUGTR-UHFFFAOYSA-N 352.397 4.993 0 40 FJAB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC 7008854 FHUPTOIKFZOUQX-GZIVZEMBSA-N 373.762 4.607 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)o1 9204740 IYWALIYYRNMSBW-UHFFFAOYSA-N 373.836 4.751 0 40 FJAB Cc1ccccc1Nc1nc(CSc2nnc3n2CCCCC3)cs1 9885088 JPTXHOYCCTUGHH-UHFFFAOYSA-N 371.535 4.805 0 40 FJAB Cc1nnc(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)s1 10774240 GOIVCFXKHIFZHD-ZETCQYMHSA-N 372.397 4.769 0 40 FJAB COc1cc(C(=O)NCC2(c3ccccc3)CC2)cc(Cl)c1OC(C)C 11749776 XUYPHPMVVSHLOS-UHFFFAOYSA-N 373.880 4.597 0 40 FJAB CCC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 12899519 QYVNBQZYSHUOLG-INIZCTEOSA-N 351.475 4.785 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 12917789 SMHDCPWCCDGFNO-KQPPXVQYSA-N 352.434 4.812 0 40 FJAB C[C@@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1cccc(F)c1 12982856 RLQAMJFBMGJGCR-GFCCVEGCSA-N 370.346 4.627 0 40 FJAB COc1cc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OC(C)C 13041805 PPVQUZPJWSHAGU-KBWBKQHASA-N 365.901 4.844 0 40 FJAB Fc1ccc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)cc1 13625948 CEQZIINRTQVUNG-UHFFFAOYSA-N 354.388 4.674 0 40 FJAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 14187114 XFADAXAJQOINSR-MRXNPFEDSA-N 362.395 4.566 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 14577271 LPFPFZXTPYHDNZ-JOCHJYFZSA-N 361.441 4.532 0 40 FJAB C[C@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F 15492200 JQQINCMVQCMBNT-NSHDSACASA-N 371.836 4.757 0 40 FJAB CCc1c(C)nc(SCc2nc(-c3ccc(C)cc3)oc2C)nc1O 16840784 QNSNOKQHMUGDCM-UHFFFAOYSA-N 355.463 4.617 0 40 FJAB c1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17190747 PPWKHJLSJGIYRC-UHFFFAOYSA-N 370.460 4.549 0 40 FJAB Cc1noc(C)c1CCC(=O)Nc1cccc(C2SCCCS2)c1 18112367 BIPBDYOUNOMYAT-UHFFFAOYSA-N 362.520 4.731 0 40 FJAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579080 UJAKDWSIRCCRHX-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB Cc1cc2ccccc2n1CC(=O)N(Cc1ccco1)Cc1cccs1 24460665 CDKACWRJYRZVSE-UHFFFAOYSA-N 364.470 4.833 0 40 FJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1 27582714 QOUMJVCAQYQYOW-HXUWFJFHSA-N 356.897 4.687 0 40 FJAB CCCC[C@@H](CC)CNC(=O)COc1ccc(CC)cc1Br 40942320 OYIKYUWGBZHJRI-OAHLLOKOSA-N 370.331 4.723 0 40 FJAB CN(Cn1nc(-c2cccs2)[nH]c1=S)[C@@H]1CCCc2ccccc21 45773859 RIZDMTLSVZOFDD-OAHLLOKOSA-N 356.520 4.636 0 40 FJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(Cl)c1N(C)C 48254058 QPQGMRLRWGHVSA-UHFFFAOYSA-N 357.816 4.654 0 40 FJAB Fc1ccc2[nH]c([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 49169021 GEYNCDPYQZKMAZ-ZDUSSCGKSA-N 363.358 4.710 0 40 FJAB biogenic,in-vitro CC(C)Oc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49549133 RNFUYJOOLUZRAT-LJQANCHMSA-N 361.445 4.842 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)n[nH]2)cc1 51315496 MVDPQALEUQRPKZ-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB Cc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 58050740 QSYJIXFBCTXENF-UHFFFAOYSA-N 367.276 4.718 0 40 FJAB Cc1nnc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)s1 58313037 ZBNKOLXKNAGYBH-LBPRGKRZSA-N 372.416 4.774 0 40 FJAB CCc1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)s1 83825520 NTGCQGDAJFGLDU-UHFFFAOYSA-N 371.574 4.590 0 40 FJAB CCO[C@]12c3ccccc3O[C@H](c3ccc(F)cc3)[C@@H]1C2(Cl)Cl 100164116 XMVVCRVUKADPAS-IXDOHACOSA-N 353.220 4.995 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118912731 QXKRUGDXPWHXHL-XWRAWWFBSA-N 374.521 4.813 0 40 FJAB COc1cccc(NC(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)c1OC 211080852 VNKNWXPCXICTOM-MRXNPFEDSA-N 372.440 4.645 0 40 FJAB C[C@H]1CN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@H](C)O1 216840114 SPFVSBDBQFOZNE-KBPBESRZSA-N 356.853 4.757 0 40 FJAB Cc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)nc1 223976405 XAPHALAHOIKHCN-UHFFFAOYSA-N 359.926 4.842 0 40 FJAB C[C@H](CNC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 225135774 QQQWIMNZVFSJJN-CYBMUJFWSA-N 351.874 4.632 0 40 FJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225701507 KRJJWYMLALAPBQ-IFXJQAMLSA-N 371.905 4.678 0 40 FJAB CC1([C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 256313363 OAWOATRDZLDNDV-TWGZSJHRSA-N 362.554 4.769 0 40 FJAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccccc1C(F)(F)F 390832295 YLTWGDHQSHCWMA-UHFFFAOYSA-N 365.376 4.999 0 40 FJAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1cccc2ccccc12 408532058 NKUOWAFINZKKGR-BUHFOSPRSA-N 351.409 4.949 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 409126796 GBYLWAOAAPQLOL-GFCCVEGCSA-N 350.281 4.877 0 40 FJAB COc1cccc([C@@H](C)NC(=O)Nc2ccc(Nc3ccccc3)cn2)c1 1673217264 MBYIOAPDONZAPY-OAHLLOKOSA-N 362.433 4.717 0 40 FJAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1 1775966746 XEAIKHCBVBNTHE-DLBZAZTESA-N 371.527 4.820 0 40 FJAB COc1cc(OC)c(NC(=O)Cc2cccc3ccccc23)cc1Cl 682341 FFFCCFBHHZKAIG-UHFFFAOYSA-N 355.821 4.692 0 40 FJAB CC(C)c1ccc(Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 1321151 GVHKJDSRMCMMSP-UHFFFAOYSA-N 361.470 4.692 0 40 FJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1937136 LTYCRWDXHUGYNY-ONNFQVAWSA-N 364.228 4.822 0 40 FJAB NC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCCCC3 2362652 DZMUMFYURGQERL-UHFFFAOYSA-N 371.893 4.567 0 40 FJAB CCSc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 2639507 ZTDZYKOEOPWHQC-UHFFFAOYSA-N 373.887 4.910 0 40 FJAB Cc1cccc(NCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 2887496 WSTILHQTKKJHKQ-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB COc1cccc2sc(NC(=O)c3cc(Cl)sc3Cl)nc12 4173435 JWQAQRSANVCMQP-UHFFFAOYSA-N 359.259 4.926 0 40 FJAB C[C@H]1CC=CC[C@H]1COC(=O)CCCCC(=O)OC[C@@H]1CC=CC[C@H]1C 4783017 FVBFUZKTISMNMG-YRPNKDGESA-N 362.510 4.838 0 40 FJAB O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1Cl 5126574 WCSOIODVHOUETA-VAWYXSNFSA-N 370.861 4.706 0 40 FJAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccco2)C1 5774353 FAXHJABHVNNAQT-LJQANCHMSA-N 356.381 4.742 0 40 FJAB CCOc1cc(C(=O)N(CC)CC)cc(Cl)c1OCc1ccccc1 6139148 BVABPDXQWBKTEO-UHFFFAOYSA-N 361.869 4.800 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 6938408 GPQWLSJFBUUAKM-QGZVFWFLSA-N 352.478 4.818 0 40 FJAB Cc1nc(SCc2cc(=O)oc3cc(O)ccc23)n(C2CCCC2)c1C 8135672 PUCWSIZFMYMKJO-UHFFFAOYSA-N 370.474 4.719 0 40 FJAB CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 8654025 PAAPYGKQZOHGNG-FUHWJXTLSA-N 361.489 4.911 0 40 FJAB Cc1ccc(C(=O)CCNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 12447587 LYTLCHDFZZSXSZ-GOSISDBHSA-N 364.489 4.695 0 40 FJAB Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccc(Cl)cc1 13011593 PBWUKWWKKDXYOK-UHFFFAOYSA-N 364.207 4.879 0 40 FJAB COc1ccc2cc(CNc3cc(C(C)C)c(OC)cc3C)c(=O)[nH]c2c1 13561335 IIQGYODJWXRKRN-UHFFFAOYSA-N 366.461 4.589 0 40 FJAB O=c1[nH]c(Cc2cccs2)nc2scc(-c3ccc(Cl)cc3)c12 13598468 YOUOTOWAFYONFM-UHFFFAOYSA-N 358.875 4.957 0 40 FJAB CC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 13811152 DIIHXNPNCDWTGX-SJLPKXTDSA-N 357.251 4.729 0 40 FJAB C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 14141874 GUWZFBGVYDZIQW-HNNXBMFYSA-N 358.432 4.690 0 40 FJAB CCCn1nc(NC(=O)c2cccs2)c2cc3ccc(C)cc3nc21 16976505 IQYQXNDNBWHEJQ-UHFFFAOYSA-N 350.447 4.617 0 40 FJAB CCCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17286270 DJDZPTSIXZYUEP-UHFFFAOYSA-N 362.412 4.520 0 40 FJAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 19931864 TTYOBGUNVOGHLV-GOSISDBHSA-N 351.899 4.547 0 40 FJAB Cc1ccc([C@H](NC(=O)COc2cc(C)cc(C)c2)c2ccccc2)cc1 20039195 YRXGRTLQCGTYBD-XMMPIXPASA-N 359.469 4.896 0 40 FJAB Fc1ccc([C@@H]2C3=C(Nc4nc5ccccc5n42)c2ccccc2OC3)cc1 20436068 CNMPURGHNJYKRJ-JOCHJYFZSA-N 369.399 4.994 0 40 FJAB C[C@H](c1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 20610256 UMKDGGJRDWHREM-OAHLLOKOSA-N 361.441 4.585 0 40 FJAB biogenic COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)cc1 21158428 HBJAOVQVJNRNPY-UHFFFAOYSA-N 364.420 4.604 0 40 FJAB Cn1c(SCCC23CC4CC(CC(C4)C2)C3)nnc1-c1cccnc1 21328651 ROMXAGMGSHKGDW-UHFFFAOYSA-N 354.523 4.576 0 40 FJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C(C)(C)C)cc1 28189096 AFYMJWUVDICRMZ-UHFFFAOYSA-N 369.490 4.758 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(Br)cc32)CC1 38931961 ZDTBHNPSVAHDFM-UHFFFAOYSA-N 364.283 4.745 0 40 FJAB O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 40117349 HWXTUHBWXGVFGC-WMWLNJEOSA-N 357.469 4.569 0 40 FJAB OC1=Nc2c(ncn2-c2cc(F)cc(F)c2)[C@H](c2cccc(F)c2F)C1 40266757 YBJBGRXDEVIJPK-ZDUSSCGKSA-N 361.298 4.552 0 40 FJAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 44843749 QCHXAQXBTZSORT-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB Cc1cccc(C2=NC3(CCCC3)N(C(=O)c3cccc(F)c3)C2=S)c1 45933221 HJRYCINUDCLXER-UHFFFAOYSA-N 366.461 4.677 0 40 FJAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 46078398 WQGRRUFRFZNXIV-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3F)no2)cc1 61997114 DSLXZDBVELAFES-UHFFFAOYSA-N 354.381 4.912 0 40 FJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(F)nc1 84557024 RMINKMBNMBSJLT-UHFFFAOYSA-N 365.389 4.875 0 40 FJAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1 85397547 ZFKGOOSTEQMVSF-UHFFFAOYSA-N 353.443 4.874 0 40 FJAB O=C(Nc1cccs1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 85562269 JYNMOFXFNNXRGJ-CYBMUJFWSA-N 357.262 4.660 0 40 FJAB CO[C@](C)(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1F 96123669 CSOFKJFYWKWWIT-QGZVFWFLSA-N 370.346 4.528 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101327775 VCTLNUYPMBPRDQ-FTQJZPFOSA-N 356.293 4.702 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cc(Cl)ccc2Cl)C1 102217797 WLVYFAQQCDUZRS-BLLLJJGKSA-N 362.322 4.583 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1cccc(C)c1 216380413 KGHCOLSKDHTUNW-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(Cl)cc1 222945659 ZKKUIFLTAJBMMC-INIZCTEOSA-N 371.908 4.735 0 40 FJAB CCOc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1Cl 223573504 RIZJZZUJLWWMBR-UHFFFAOYSA-N 369.848 4.701 0 40 FJAB O=C(NCCSCc1ccc(Cl)cc1Cl)NC1CCCCC1 225754644 FDYCTPOZFSTMRG-UHFFFAOYSA-N 361.338 4.859 0 40 FJAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Cl)c1O 409113706 GFBKHOGZTWLXPB-SXGWCWSVSA-N 371.864 4.988 0 40 FJAB COCCN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 409149014 VWKMEACTNXQPKH-LGMDPLHJSA-N 371.483 4.521 0 40 FJAB O=c1oc2ccccc2cc1-c1nc(S)c2c3c(sc2n1)CCCC3 575615221 GHVCQAIYSWNOGJ-UHFFFAOYSA-N 366.467 4.632 0 40 FJAB O=C(O)c1c(-c2ccco2)nn(CCc2ccccc2)c1-c1ccccc1 585266252 ZDVHDMDEJCTGKI-UHFFFAOYSA-N 358.397 4.751 0 40 FJAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1ncccc1OCc1ccccc1 616224020 PFBMFBGITBBIPN-FXAWDEMLSA-N 372.415 4.815 0 40 FJAB Fc1ccccc1[C@H](F)C1CCN(Cc2cn3cccc(F)c3n2)CC1 685436882 SHOIEOXRUXHBFU-LJQANCHMSA-N 359.395 4.535 0 40 FJAB CCCC[Sn](CCCC)(CCCC)c1cnoc1 1504072221 KHWSYZDDJXELTN-UHFFFAOYSA-N 358.114 4.731 0 40 FJAB C[C@@]1(CC(=O)Nc2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1 643285 RZKQGOHULYTXOO-HSZRJFAPSA-N 371.440 4.504 0 40 FJAB CCc1cccc(NC(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)c1 710808 VRNJPTPVRIEXLK-UHFFFAOYSA-N 372.428 4.902 0 40 FJAB O=C(/C=C/c1ccccc1)Oc1ccc(-c2cnc3ccccc3n2)cc1 1065729 WCNQAVGDDYQPCK-XNTDXEJSSA-N 352.393 4.916 0 40 FJAB Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NC(C)(C)C)cc2c1 1330206 WZSPXHULEKBDNW-UHFFFAOYSA-N 360.461 4.670 0 40 FJAB COc1ccc(CCSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 1355943 DGQOYXZNQPFRNT-UHFFFAOYSA-N 365.502 4.580 0 40 FJAB c1ccc(-c2cc(Sc3nc4ccccc4s3)n3ncnc3n2)cc1 2585285 PIXHPJLFNOBJPD-UHFFFAOYSA-N 361.455 4.552 0 40 FJAB CCc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 2640839 GNLWYKRPFITCGT-UHFFFAOYSA-N 362.400 4.881 0 40 FJAB Cc1ccc2c(CC(=O)Nc3ccc(Br)cc3F)coc2c1 2650880 GMYIKBQCHHMAHE-UHFFFAOYSA-N 362.198 4.824 0 40 FJAB COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4289736 WSIPNGGJRBLSEF-UHFFFAOYSA-N 369.442 4.597 0 40 FJAB CCCCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 4354999 SQIJREAPRDAMST-UHFFFAOYSA-N 371.488 4.931 0 40 FJAB O=C1c2cccc3cccc(c23)C(=O)N1Cc1cccc(C(F)(F)F)c1 4419322 JMFFKHYGMDKJJW-UHFFFAOYSA-N 355.315 4.655 0 40 FJAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(CC(C)(C)C)s2)cc1 4696327 OGXLTZZFNJPMDN-UHFFFAOYSA-N 374.510 4.508 0 40 FJAB CCN(CC)CCCNCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 5347813 UICZBDAMKPGYLB-VXKWHMMOSA-N 360.586 4.687 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nc2ccccc2s1 5536917 KBQIOGIGIWXBMU-UHFFFAOYSA-N 350.399 4.617 0 40 FJAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5687553 CFGODIBSIYXIHQ-LLVKDONJSA-N 368.786 4.749 0 40 FJAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1-c1ccccc1 5699269 GFXQBFZMYYHXBW-MRXNPFEDSA-N 374.440 4.564 0 40 FJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 6882078 XOXGLPUKKFKPFG-UHFFFAOYSA-N 361.272 4.721 0 40 FJAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2Br)c1 7208943 AFGIPQACENTARS-UHFFFAOYSA-N 364.308 4.938 0 40 FJAB Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1C 7580297 PUWZJGBLILAXNU-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB CC(=O)c1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1 7647088 IOJWQPRISPHICH-UHFFFAOYSA-N 359.381 4.806 0 40 FJAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccccc1OC(F)F 8748138 NBZSCLFXQNBABP-SNVBAGLBSA-N 364.373 4.549 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc(C)cc2NC(=O)c2ccco2)cc1 8908673 RAIBJHGUVHGOON-UHFFFAOYSA-N 362.429 4.720 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1 9063096 DDBNOHQEOKJDFA-UHFFFAOYSA-N 358.485 4.999 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccc(Cc2ccncc2)cc1 11560168 CHXQQKONVSJKOG-UHFFFAOYSA-N 368.436 4.843 0 40 FJAB Cc1ccc([C@@H]2Cc3cc(C(=O)NC4CCCCC4)ccc3C(=O)O2)cc1 11666584 CCHMBJCKLROWPM-NRFANRHFSA-N 363.457 4.512 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)c1C 11915809 QBJFBTGUQWKIRN-UHFFFAOYSA-N 355.459 4.566 0 40 FJAB C/C(=C\c1ccccc1)CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 12219343 DGUDXKJGXWCLQR-IFXJYEMKSA-N 351.465 4.744 0 40 FJAB COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1 12371681 YTFUXZKTOFQFDX-MRXNPFEDSA-N 365.454 4.810 0 40 FJAB c1ccc2sc(C3CCN(Cc4ccc(-n5ccnc5)cc4)CC3)nc2c1 12559796 WMXDZXINDCXMDK-UHFFFAOYSA-N 374.513 4.862 0 40 FJAB C[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NC(=O)c1ccccc1 12632498 FWBINGDAVVUJMW-QGZVFWFLSA-N 373.456 4.577 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2ccccc2cc1O 12792892 MTKDBDRKRLUYBI-UHFFFAOYSA-N 359.347 4.836 0 40 FJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)no1 12815859 JZXYFYPQUUURDM-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12852403 GIWACTWOLHESBZ-SECBINFHSA-N 364.442 4.949 0 40 FJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Br)c1 12942412 NBRAHCUUJSKYLC-UHFFFAOYSA-N 372.262 4.539 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 17075108 SPBKYOBBTCXMPE-FMIVXFBMSA-N 365.458 4.687 0 40 FJAB c1ccc(COc2cccc(CN3CCN(Cc4ccccc4)CC3)c2)cc1 19359750 ATUHDMGCCUFYSF-UHFFFAOYSA-N 372.512 4.583 0 40 FJAB Cc1ccc(C)c(N2CN(Cc3ccccc3)CN=C2c2ccccc2)c1 19974133 ZOKSGAJMWFWVIU-UHFFFAOYSA-N 355.485 4.987 0 40 FJAB Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)sc2cccc(F)c12 20012006 XXBYZGFCUMZBMX-UHFFFAOYSA-N 357.406 4.762 0 40 FJAB CCCc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 20033879 YFWCZSWXWWDBBI-UHFFFAOYSA-N 358.467 4.662 0 40 FJAB COc1ccccc1/C=C/C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20456414 DGHQHLOHMVFFGZ-JOPBRCQMSA-N 357.453 4.923 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)CC1 20486660 YIXFEJGBGVTKAC-UHFFFAOYSA-N 370.924 4.844 0 40 FJAB Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 20897391 OLVOLQGYVPJEOQ-CQSZACIVSA-N 358.507 4.620 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)Nc3cccs3)ccc21 22507908 DMKJTHFFAMGPMD-UHFFFAOYSA-N 357.479 4.717 0 40 FJAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 22783242 XMXOLDLDVSFFKE-NSHDSACASA-N 370.276 4.870 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)NC1(c2ccccc2)CCC1 25059400 HZNBHMQNBPXVAC-UHFFFAOYSA-N 354.500 4.610 0 40 FJAB Cc1cc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c2ccccc2n1 27970916 MVHNZBWTWFFGIH-UHFFFAOYSA-N 370.456 4.657 0 40 FJAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1Nc1ccccc1 32333076 AKXGDNNWELLKMK-UHFFFAOYSA-N 354.413 4.868 0 40 FJAB CCCCCCOc1c(Br)cc(C=O)cc1Br 34924787 UMWGLLPWQWPDST-UHFFFAOYSA-N 364.077 4.983 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38833527 GTQNAWOBWQJBDB-SFHVURJKSA-N 356.897 4.808 0 40 FJAB COc1ccc2cc(CNC(=O)N(CC(C)C)CC(F)(F)F)ccc2c1 40150025 RQOOYZILVRQPFF-UHFFFAOYSA-N 368.399 4.578 0 40 FJAB CC(C)Sc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 44873229 FVJLMEKYKYMDCE-UHFFFAOYSA-N 368.546 4.713 0 40 FJAB CC(=O)Nc1cccc(Nc2nnc(SCc3ccccc3F)s2)c1 46587644 XPTYIROLRRWGNE-UHFFFAOYSA-N 374.466 4.672 0 40 FJAB Cc1cnn(CC2CC2)c1NC(=O)c1cc2c(s1)-c1ccccc1CC2 58311963 PTAPUAGYPHFMOF-UHFFFAOYSA-N 363.486 4.681 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)c1 72277153 KUEMYTDRMNIWAM-DHIUTWEWSA-N 373.500 4.600 0 40 FJAB CCN1Cc2cccc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C1 95464967 QWLXIGRMKFDQBK-UHFFFAOYSA-N 370.452 4.898 0 40 FJAB CC(C)C(=O)N(C)Cc1ccc(C(=O)N(C)c2ccc3ccccc3c2)cc1 95961178 UJBMPYJLGVFGOW-UHFFFAOYSA-N 374.484 4.731 0 40 FJAB Clc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccncc3)=NN2)cc1 100251063 INFDFOZTTGDRTI-UHFFFAOYSA-N 367.239 4.822 0 40 FJAB O=C(COc1cccc2ccccc12)NCCOc1cccc2ccccc12 223543490 QIHMVIBAJRPLNH-UHFFFAOYSA-N 371.436 4.567 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224420027 RIFPXVJAOMWFQE-KRWDZBQOSA-N 369.505 4.509 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)(C)C)o2)cc1 224915567 IMCNRGDVEJZPGK-UHFFFAOYSA-N 364.445 4.936 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225354051 KTSHGEWLSUCXGA-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c(C)c1 225811780 VZLCITSOPQUAEX-UHFFFAOYSA-N 369.852 4.887 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225849481 IOIUDZNPAIFULU-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3scnc3C)cs2)nc1 257255493 KHSGXRDXIOHEEQ-OAHLLOKOSA-N 371.535 4.692 0 40 FJAB O=C(O)c1cccc(NCc2ccc(OCc3cccc(F)c3)cc2)c1 408602644 AIKRYHTZFRGDNZ-UHFFFAOYSA-N 351.377 4.715 0 40 FJAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409100088 URRWIQIVAJJDDQ-RSYJBZMQSA-N 369.870 4.582 0 40 FJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C1CCCCC1 793600 TXXUKPXAPLHNSV-UHFFFAOYSA-N 372.538 4.693 0 40 FJAB COc1ccccc1NC(=O)c1sc2nc3cc(C)ccc3cc2c1N 899170 AVZSQXXZSDFIGK-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OCC)cc12 976790 HLQPASITZRZWTF-UHFFFAOYSA-N 353.418 4.523 0 40 FJAB C[C@@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)C1 1340992 KINUPNAIOFYFBF-HUUCEWRRSA-N 364.468 4.506 0 40 FJAB Cc1ccc(Nc2nc3nonc3nc2N[C@@H](C)c2ccccc2)cc1C 1421566 QFAUZIRDSKDMEI-AWEZNQCLSA-N 360.421 4.546 0 40 FJAB COc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1OC 1471280 QNXAEPBPRXYWDB-UHFFFAOYSA-N 374.440 4.681 0 40 FJAB O=C(CSc1nccc2ccccc12)Nc1ccccc1C(F)(F)F 2349433 ALOHVNUJNWCQBG-UHFFFAOYSA-N 362.376 4.984 0 40 FJAB CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)c(C)n1 2733799 CNYAHUKELLWDRY-UHFFFAOYSA-N 367.403 4.858 0 40 FJAB Fc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)cc1 2806261 GEFQTFCGOKMKLP-UHFFFAOYSA-N 370.387 4.663 0 40 FJAB COc1cc(C(=O)Nc2nccs2)ccc1OCc1ccccc1Cl 3417884 AGZBWJOBTGSDDC-UHFFFAOYSA-N 374.849 4.636 0 40 FJAB CCOc1ccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 4492420 VSTUIVZSQLCSLN-DNLWUEFJSA-N 368.304 4.880 0 40 FJAB O=C(COC(=O)c1ccc(CSCc2ccco2)cc1)c1ccccc1 4602426 UUFFFYVVEZROMJ-UHFFFAOYSA-N 366.438 4.753 0 40 FJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc12 4742011 SCMGMDAXEIATPD-NRFANRHFSA-N 369.424 4.651 0 40 FJAB O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2cc3c(cc2o1)CCC3 5576595 KGCZFOWWZSZZOO-UHFFFAOYSA-N 373.496 4.736 0 40 FJAB biogenic Clc1ccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)cc1 5861445 HDBIYKJYTWYQMI-UHFFFAOYSA-N 374.680 4.861 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)c1C 6667890 DIBRMWXESRJKNC-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB S=C(NCCSCc1ccco1)Nc1ccc(Cl)c(Cl)c1 6949519 JKJFQLBCSLPKSN-UHFFFAOYSA-N 361.319 4.806 0 40 FJAB O=C(CCc1cccs1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 7398357 FMWNENZFGJPXHX-UHFFFAOYSA-N 354.402 4.656 0 40 FJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 7428234 TXCRMKLMQYYADK-CMDGGOBGSA-N 361.772 4.771 0 40 FJAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(Cl)c3)o2)cc1 8392671 AJWOSAFKUHKLJT-NSHDSACASA-N 374.849 4.762 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)cc1 8495337 CLOXDGLBAGIGEL-SFHVURJKSA-N 373.424 4.579 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccncc1 8707820 VMMSUIIEXIXVMC-UHFFFAOYSA-N 364.355 4.746 0 40 FJAB Cc1cccc(-c2nnc(SCc3nc4ccccc4s3)n2C)c1 8709199 PMXVDRHRSPUTEG-UHFFFAOYSA-N 352.488 4.693 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 8757029 QNHUIKREYIXQCH-UHFFFAOYSA-N 362.351 4.615 0 40 FJAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccco1 9462513 TUZBUEDGOIFNFH-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCc1c[nH]c2ccccc12 11058762 JNUSKVXVVZDJSU-UHFFFAOYSA-N 372.472 4.932 0 40 FJAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc2ccccc2c1 11571757 SUZWFTAUTYJWKO-UHFFFAOYSA-N 360.457 4.766 0 40 FJAB Cc1ccc(Oc2ccc(OCC(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 12618571 QNMBUXRORCZECJ-ROUUACIJSA-N 353.462 4.671 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1 12778755 QEKNDLQXVJKLBT-MRXNPFEDSA-N 356.897 4.817 0 40 FJAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCS2 12821416 SEOOCEZENHYRPI-UHFFFAOYSA-N 361.488 4.524 0 40 FJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 13098520 BITXMAYQYBLCDX-NQIIRXRSSA-N 362.454 4.999 0 40 FJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cccc2ccccc12 14199587 LZMUDVOCMPRXOH-IBGZPJMESA-N 365.502 4.860 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 14399549 VLJPAPANQNALIC-INIZCTEOSA-N 365.404 4.811 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 17524025 XDJRQQVWUSXAFQ-KUHUBIRLSA-N 363.457 4.630 0 40 FJAB Fc1cccc(-c2nc(Cn3c(C(F)(F)F)nc4ccccc43)co2)c1 26777357 IKUHWKJHLPDXOO-UHFFFAOYSA-N 361.298 4.898 0 40 FJAB Cc1ccc(C2=Nc3ccccc3S[C@@H]2NC(=O)c2ccccc2)cc1 27016002 NKXCPZSHRJMXQL-QFIPXVFZSA-N 358.466 4.978 0 40 FJAB O=C(Nc1ccc(Br)c2cccnc12)c1ccc(F)cc1F 27930245 VXZSTZNXNXIYAD-UHFFFAOYSA-N 363.161 4.528 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SC(F)F)c1 32741110 KXUOOTUEALBIHX-LLVKDONJSA-N 367.417 4.510 0 40 FJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2nsnc2c1 36709435 WZYDSBWNSAXIMI-UHFFFAOYSA-N 372.409 4.752 0 40 FJAB C[C@H]1CCCN(Cc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1 40107917 BJJPGZVZFUIYQQ-KRWDZBQOSA-N 361.489 4.581 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)c(C)c1 41089897 UJUZZVCKLXFFJQ-UHFFFAOYSA-N 363.461 4.589 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1Cl 44846709 OZMABAVWYMZVAL-GFCCVEGCSA-N 363.866 4.636 0 40 FJAB Cc1nc(-c2ccc(NC(=O)c3oc4c(c3C)C(=O)CCC4)cc2)oc1C 54672806 CXLTYJRGVYAHPS-UHFFFAOYSA-N 364.401 4.631 0 40 FJAB O=C(Nc1ccccc1SC1CCCC1)c1ccc(-n2cnnc2)cc1 58163149 HBKFTWUCWGZHRK-UHFFFAOYSA-N 364.474 4.554 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3cc(F)c(F)c(F)c3)cc(C3CC3)nc21 61721944 OXXNYPAFVKFHEC-UHFFFAOYSA-N 374.366 4.559 0 40 FJAB COc1ccc2cc(CNC(=O)N3CCC[C@H]3c3ccsc3)ccc2c1 65516129 OCWWGGXIRQPTAQ-FQEVSTJZSA-N 366.486 4.957 0 40 FJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)c1 72277152 KUEMYTDRMNIWAM-XZOQPEGZSA-N 373.500 4.600 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 79014266 SKJIGEFNZQCAAS-UHFFFAOYSA-N 372.350 4.620 0 40 FJAB Cc1ccc(SCC(=O)N2CC=C(c3cncc4ccccc34)CC2)cc1 96012065 ZIAYMQCMOHMTLM-UHFFFAOYSA-N 374.509 4.951 0 40 FJAB CCCC[C@]1(CCN(C(C)=O)[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96113983 NYWWAIACGJVGOL-UGKGYDQZSA-N 367.574 4.948 0 40 FJAB biogenic O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96115925 BWVJZOQCRCAVJO-HXUWFJFHSA-N 361.420 4.525 0 40 FJAB biogenic CC(=O)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(C)=O 100944035 KPUGUMSSHPGILX-UHFFFAOYSA-N 351.427 4.647 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 219858265 QMFVHPOESMWWQW-UHFFFAOYSA-N 352.478 4.637 0 40 FJAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222600711 OMDLFLVNNSVMJS-NDXORKPFSA-N 374.513 4.770 0 40 FJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(-c4ccccc4)c3)N21 222717822 QFAVEENCTTUDON-DZFGPLHGSA-N 374.513 4.852 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3)s2)cc1 224108644 AWOLQMOIQUXNEE-IZZDOVSWSA-N 355.850 4.819 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1 224685184 SGLOHDIXSBKNAC-LBPRGKRZSA-N 367.565 4.714 0 40 FJAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COCc1ccccc1 224744731 ANEQSWDXXUPVKN-UHFFFAOYSA-N 367.489 4.865 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224965969 GPVRSPHAKOSOLY-HNNXBMFYSA-N 358.869 4.736 0 40 FJAB CCn1c(=O)sc2cc(NC(=S)Nc3ccc(Cl)cc3)ccc21 225127152 WTMPNTOFRCYIFP-UHFFFAOYSA-N 363.895 4.545 0 40 FJAB COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225847512 KRJTXTHTDJBFLX-UHFFFAOYSA-N 354.519 4.927 0 40 FJAB CCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)c1 226267305 WYPMVVNEABFGSU-UHFFFAOYSA-N 367.493 4.546 0 40 FJAB Oc1nc(-c2ccc(Br)o2)nc2sc3c(c12)CCCCC3 408993343 WFPKGEGQYFJPNB-UHFFFAOYSA-N 365.252 4.688 0 40 FJAB CC(C)c1ccc(C2(O)CCC(N[C@H](C)c3c(F)cncc3F)CC2)cc1 585081810 GZHGKROAVRGFEW-MFPRGYPFSA-N 374.475 4.964 0 40 FJAB CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(C(F)(F)F)cc1 1596217415 GVVQFUXGSQZFCA-UHFFFAOYSA-N 351.368 4.551 0 40 FJAB COc1ccc2cc(C)c(SCC(=O)Nc3c(C)cccc3C)nc2c1 932984 CAEINLOXMVENNX-UHFFFAOYSA-N 366.486 4.899 0 40 FJAB Cc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 991683 OEBTYAYROUTIHL-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 1655908 VDXQRQANRKTTOV-BZZOAKBMSA-N 370.408 4.926 0 40 FJAB COc1ccc(C(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc1OC 2696949 HZHRLIZKILXNID-UHFFFAOYSA-N 352.386 4.548 0 40 FJAB biogenic CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1 3318668 CXCGMZZDJUWBDR-OAHLLOKOSA-N 362.429 4.544 0 40 FJAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1cccc(C)c1 3912220 LPCLXRMFQQIXQL-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB CC[C@H]1c2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@@H]1C 4416624 RTPSBRFMJKJZNR-QCPUYCGNSA-N 356.462 4.996 0 40 FJAB COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)c1 4502077 WWEIUXAFRQBVSS-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB CSc1ccccc1-c1nnc(NC(=O)/C=C/c2ccccc2Cl)o1 4585568 OMUZCYFPIVBYBR-ZHACJKMWSA-N 371.849 4.764 0 40 FJAB O=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCCCC1 4680652 YWENDEGUWHWGEM-UHFFFAOYSA-N 356.278 4.820 0 40 FJAB CC(=O)N1N=C(c2c(C)coc2C)C[C@H]1c1ccc(Cl)cc1Cl 4942324 RHWAAYXBRWPWAB-INIZCTEOSA-N 351.233 4.901 0 40 FJAB CCOC1=C(CN2CCCCC2)[C@H](Cc2ccccc2)Oc2ccccc21 5243285 OJAORRJPDLYGDB-QHCPKHFHSA-N 363.501 4.924 0 40 FJAB FC(F)(F)c1cnc([C@@H](c2ccc(Cl)cc2)c2nc[nH]n2)c(Cl)c1 5253762 OPHGNHBOHLICJV-GFCCVEGCSA-N 373.165 4.706 0 40 FJAB O=C(COc1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1 6053087 IPFIKNWNTSUBQD-UHFFFAOYSA-N 359.469 4.700 0 40 FJAB Cc1cc(C(=O)CSc2ccc3c(c2)OCCCO3)c(C)n1C(C)C 6436744 DDKWGVWWSKMVSS-UHFFFAOYSA-N 359.491 4.822 0 40 FJAB CCCCn1nnnc1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 7262179 FUAWTUBGTMEJGV-UHFFFAOYSA-N 366.252 4.652 0 40 FJAB COc1ccc(Cl)cc1-c1nnc(SCc2ccc(F)cc2)o1 7605253 AWFJFHQXZAEWBT-UHFFFAOYSA-N 350.802 4.830 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 7935356 HCJQCJFEWVSLJY-LLVKDONJSA-N 355.381 4.833 0 40 FJAB CCOc1ccc(NC2=NN=C(c3cc(C)n(C4CC4)c3C)CS2)cc1 8194693 WKQHGIGXMAWHEQ-UHFFFAOYSA-N 368.506 4.758 0 40 FJAB CN(C)C(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 8761891 XLMGWPDBURLMRF-UHFFFAOYSA-N 358.850 4.509 0 40 FJAB O=C(CCc1ccco1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9114686 UDCLIGCANSBUAV-UHFFFAOYSA-N 374.893 4.882 0 40 FJAB O=C(Cc1ccc(Cl)s1)Nc1nc2c(s1)CCc1ccccc1-2 10060889 UPIBBPUXIHYKHO-UHFFFAOYSA-N 360.891 4.805 0 40 FJAB C[C@@H](SC1=NCCS1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10863403 IBPUDRJKYNNLMV-SSDOTTSWSA-N 368.833 4.522 0 40 FJAB CC(=O)[C@@H](C)n1c(SCCOc2cc(C)cc(C)c2)nc2ccccc21 12062342 FPZZKNNAUNLEBR-MRXNPFEDSA-N 368.502 4.974 0 40 FJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1 12599932 KMAQNTUDQTVDQC-UHFFFAOYSA-N 351.427 4.844 0 40 FJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2Cl)cc1 12912956 YXYRNUZCPFNRAN-FQEVSTJZSA-N 372.896 4.904 0 40 FJAB S=C(NCc1ccccc1)Nc1ccc(Br)cc1Cl 13795185 NPYFSCQPWLXFDU-UHFFFAOYSA-N 355.688 4.589 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 14248811 USMUTPRPHVIVBH-UHFFFAOYSA-N 359.809 4.642 0 40 FJAB COc1cccc(OC)c1CN[C@H](Cc1ccsc1)c1ccc(C)cn1 19215434 HSKKFVKBTBTSRM-LJQANCHMSA-N 368.502 4.542 0 40 FJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccc(F)cc1)CO3 20411924 UWINZGAYFGOENX-UHFFFAOYSA-N 373.811 4.554 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 20897388 BEQNBPGRLJBKJT-AWEZNQCLSA-N 358.507 4.620 0 40 FJAB COc1ccc(OC)c(CN(C(=O)/C=C/c2ccc(Cl)cc2)C2CC2)c1 25804002 HCICDBAEJFWHIQ-LFYBBSHMSA-N 371.864 4.562 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)cc1 30865522 XHHDRLKUUVCTCS-QFIPXVFZSA-N 363.457 4.664 0 40 FJAB CCCc1sc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1CC 31304809 ROKPOTPPFMZSPR-ZDUSSCGKSA-N 358.507 4.712 0 40 FJAB CCCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 39843878 IEECTPRONSVUGP-UHFFFAOYSA-N 370.474 4.695 0 40 FJAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cccc(F)c1 40283195 HZAAUQUFWMMOFE-KRWDZBQOSA-N 365.408 4.922 0 40 FJAB COc1cc(Br)c2oc(-c3cc(Cl)ccc3N)nc2c1 45920220 BDTXHFDVSOIWHS-UHFFFAOYSA-N 353.603 4.502 0 40 FJAB Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc1C 51354166 HKFUGAOFKYPTKQ-UHFFFAOYSA-N 366.202 4.552 0 40 FJAB Cc1nc(C)c([C@H](C)NC(=O)N2CCCCC[C@@H]2c2ccncc2)s1 57282945 JWEQERWQADIQNL-WMLDXEAASA-N 358.511 4.543 0 40 FJAB Cc1cc(C)cc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2C)c1 57354825 JKOOHKOGKIGZLK-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB O=C(Cc1ccccc1F)N[C@H](c1ccc(Cl)cc1)c1ccsc1 65565130 JICOFHUBFOZJEF-LJQANCHMSA-N 359.853 4.989 0 40 FJAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@@H](C(F)(F)F)C1 89793871 HFZSOHCVRZZFAM-GFCCVEGCSA-N 355.385 4.616 0 40 FJAB O=C(/C=C/c1cccc(-c2ccccc2)c1)N1CCCC[C@H]1c1ncon1 95399295 XXBAXNGRDGDRRW-SJFMBGHLSA-N 359.429 4.504 0 40 FJAB O=C1c2ccccc2N[C@@H](c2csc3ccccc23)N1C[C@H]1CCCO1 95946990 BJHVIKMRLMWEEF-JLTOFOAXSA-N 364.470 4.647 0 40 FJAB Cc1ccc(S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 100932959 NTSCLTBGDRNNOH-OAHLLOKOSA-N 366.269 4.726 0 40 FJAB CCCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OC 106994235 GSCJLYSQJGTJSD-UHFFFAOYSA-N 368.246 4.998 0 40 FJAB CC(=O)c1csc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 108286865 XCHZBIAAANYHCQ-SFHVURJKSA-N 352.459 4.799 0 40 FJAB COc1ccc([C@@H]2CCCCN(C(=O)c3ccc(F)c(F)c3F)C2)cc1 206885965 SBSUJYDTLPYARI-CQSZACIVSA-N 363.379 4.522 0 40 FJAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)O)o1 211527694 VLOQIABYEZDYQU-ZSOIEALJSA-N 362.794 4.509 0 40 FJAB Cc1cc(C)c(C)c(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1 218970399 UEGSCNZNJAYKQE-UHFFFAOYSA-N 353.506 4.863 0 40 FJAB O=C(CSc1c[nH]c2ccccc12)N1CCS[C@H](c2ccco2)CC1 219423544 YDBQGWHLGDLRDU-KRWDZBQOSA-N 372.515 4.560 0 40 FJAB Cc1ccccc1CSCCNC(=O)COc1ccc2ccccc2c1 222832631 FAAHPCCFYYUTMS-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB COc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1Cl 223913619 WGQJOWQYXBQPLQ-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccccc2)c1 224053381 PJNQQLUMQUKUQF-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB CC(C)NC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496927 CJXAMCQCOXNPCJ-UHFFFAOYSA-N 359.473 4.609 0 40 FJAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572758 YDVSCPZHNYQHKW-UHFFFAOYSA-N 371.452 4.528 0 40 FJAB CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3ccccc3s2)cc1 226284697 LBYUIPGSCWFKDH-UHFFFAOYSA-N 350.365 4.879 0 40 FJAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226764551 LVCHJSAELSHDEY-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB COc1ccc(CCCc2nnc(SCc3ccc(F)cc3)o2)cc1 409014573 NBKDOBKUGULCJO-UHFFFAOYSA-N 358.438 4.685 0 40 FJAB COc1cc2c(cc1OC)[C@H](NC(=O)Nc1cccc3ccccc13)CC2 524734176 FPGMKVMWLKICDG-LJQANCHMSA-N 362.429 4.666 0 40 FJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 1258810899 PISMCQZYVQPNRL-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB Cc1nc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)sc1C 1342878 VIXOLRDWXZBSKC-UHFFFAOYSA-N 368.487 4.666 0 40 FJAB Cc1ccccc1N1COc2c(cc3c4c(c(=O)oc3c2C)CCCC4)C1 2117697 GNZRKEZATNJWDE-UHFFFAOYSA-N 361.441 4.645 0 40 FJAB biogenic Clc1ccc(OCCOc2ncnc3sc4c(c23)CCCC4)cc1 3360336 FJLZDMRVTVUMBY-UHFFFAOYSA-N 360.866 4.681 0 40 FJAB Cc1cccc(-n2c(C)nnc2SCc2ncc(-c3ccccc3)o2)c1 5359210 QQVMUGMSQKHLQF-UHFFFAOYSA-N 362.458 4.831 0 40 FJAB O=C(c1ccc(Cl)cc1)c1c(O)cc(-c2ccc(Cl)cc2)oc1=O 5522228 IJDXVQMDYUXXOS-UHFFFAOYSA-N 361.180 4.550 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2C)cc1 5578383 ZTEQJQRZJPANPE-UHFFFAOYSA-N 360.385 4.658 0 40 FJAB CCOc1cccc2c1Oc1nc(-c3cccc(OC)c3)nc(S)c1C2 6000616 WGMOXTYPSBSWEX-UHFFFAOYSA-N 366.442 4.536 0 40 FJAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(C(C)(C)C)cc1 6097774 ZIZCKWXSYIACTO-CQSZACIVSA-N 357.523 4.666 0 40 FJAB Cc1c(C(=O)N2CCc3ccccc32)sc2nc(-c3ccccc3)cn12 6309215 MWCAJOUNLCUCMM-UHFFFAOYSA-N 359.454 4.574 0 40 FJAB O=C(Nc1ccccc1N1CCOCC1)c1sccc1-c1ccccc1 6579183 CPIIFZGNXAGGRD-UHFFFAOYSA-N 364.470 4.504 0 40 FJAB CCCSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1 6810520 LZLNULCAMTXWNZ-UHFFFAOYSA-N 372.277 4.546 0 40 FJAB CCOCc1c(C(=O)N[C@@H]2CCSc3ccccc32)oc2ccccc12 6852797 MQJGSUXITGFHEY-QGZVFWFLSA-N 367.470 4.936 0 40 FJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Cl)cc1 7580500 XZALQAOIIIWJCE-UHFFFAOYSA-N 360.866 4.635 0 40 FJAB Cc1ccc2nc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)sc2c1 10126686 DVQLXRQOGMCQRS-UHFFFAOYSA-N 368.849 4.901 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC1(c2ccccc2)CC1 11750354 DRTQWAKSGKOANH-UHFFFAOYSA-N 366.461 4.719 0 40 FJAB O=C(/C=C/c1cccs1)Nc1cc(-c2ccccc2)sc1C(=O)O 12601093 XEXFALKGYJKLKP-CMDGGOBGSA-N 355.440 4.827 0 40 FJAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1CC(F)(F)F 12823383 FEFQLBHCUGKRFC-UHFFFAOYSA-N 368.380 4.783 0 40 FJAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 13616568 JMCMVWPJYWPECF-XMSQKQJNSA-N 374.465 4.809 0 40 FJAB COc1ccc(/C=C(/C(=O)NCCCc2ccccc2)c2ccccc2)cc1 13669364 MZSNZUIZCKLUKW-LYBHJNIJSA-N 371.480 4.985 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccccc12 17323964 QDUDQVJINQOVSS-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 20043385 OZKOXVSWWUPPOK-AUSIDOKSSA-N 359.469 4.977 0 40 FJAB COC(=O)C(C)(C)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 38337742 JMAOPGKULZAARP-FQEVSTJZSA-N 367.489 4.612 0 40 FJAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C(F)(F)F)cc1 40009486 NYXHQFFLDRGKRX-UHFFFAOYSA-N 365.351 4.624 0 40 FJAB CC(C)(C)c1ccc(Sc2ccc3nnc(C(F)(F)F)n3n2)cc1 40024838 GCPJPFZOWWKVIE-UHFFFAOYSA-N 352.385 4.592 0 40 FJAB COc1ccc(-c2nnc(S[C@H]3CCCc4ccccc43)n2C)cc1 40114252 YLFATCBAAZAPAC-SFHVURJKSA-N 351.475 4.660 0 40 FJAB CC(C)[C@H](C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)n1cncn1 40151294 YLWKTCJGZZWWEY-GOSISDBHSA-N 370.840 4.560 0 40 FJAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)c1 40284543 KNJWQWBVYMKTLD-OAHLLOKOSA-N 366.442 4.951 0 40 FJAB CC1=C[C@@]2(Nc3cc(C)c(C)cc3O2)c2c(C)nn(-c3ccccc3)c2O1 40544801 MCMKJCYWZDSPHR-QFIPXVFZSA-N 359.429 4.751 0 40 FJAB O=C(Cc1cccc(-c2nc3ccccc3s2)c1)NC1CCCCC1 41127631 FCXXPRHHSHAROJ-UHFFFAOYSA-N 350.487 4.955 0 40 FJAB O=C(c1ccc(Cl)nc1Cl)N1CCSc2ccc(Cl)cc21 60245808 QCQTZUGDLRQCHN-UHFFFAOYSA-N 359.665 4.794 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1 72427654 CMCRJQAVSCJCSF-GFCCVEGCSA-N 360.335 4.851 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2c(C)cnn2-c2ccccc2)c1 84563823 LVIMIFKNLNVHTL-UHFFFAOYSA-N 357.866 4.808 0 40 FJAB CCN(CC)[C@@H](C(=O)Nc1cc(-c2ncco2)ccc1C)c1ccccc1 89618401 VJGFXQRALWZXHX-HXUWFJFHSA-N 363.461 4.672 0 40 FJAB CCN(C(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccc2ccccc2c1 89969474 CEQIQNJGZZYKGK-UHFFFAOYSA-N 359.404 4.831 0 40 FJAB Cc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100424548 WUCHSFKSBYUPMG-NHCUHLMSSA-N 363.505 4.702 0 40 FJAB Cc1cc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)ccc1Br 101084752 VYPMZWGONLUVOD-QAPCUYQASA-N 373.250 4.527 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717950 UADDPZKRWXDYAE-CQSZACIVSA-N 370.880 4.629 0 40 FJAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1 106708329 DFYGZDSBUCWNQC-PDGQHHTCSA-N 353.443 4.630 0 40 FJAB COC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118933768 PGQGNHJPSJHIQE-BOPJXXHASA-N 374.521 4.670 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Br)cc1F 216302411 XTUVOMDMQXQGBE-OAHLLOKOSA-N 366.230 4.693 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(C)cc1 225340917 RGBQALUYYWCUIN-VGSWGCGISA-N 351.490 4.909 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)cc1 225685164 AIILITRGASDEDE-KRWDZBQOSA-N 356.491 4.592 0 40 FJAB NC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226322071 RDWSTWVJIYBRGJ-UHFFFAOYSA-N 365.043 4.978 0 40 FJAB Nc1cc(-n2ccc3cc(Br)ccc32)cc(C(F)(F)F)c1 228920865 WWRGAUAFBGELJZ-UHFFFAOYSA-N 355.157 4.994 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCCc3ccccc32)cc1 260458059 WNTYLPICWGWICT-YUXAGFNASA-N 360.501 4.558 0 40 FJAB COc1ccc(Cl)cc1NC(=O)NC[C@H](OC)c1cc2ccccc2o1 390832340 YTGNRCVERQNOBO-SFHVURJKSA-N 374.824 4.604 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSc1ccc(Cl)cc1 408677256 BSGXUKBEEWWPKK-GOSISDBHSA-N 363.910 4.714 0 40 FJAB O=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 409140076 HQQZAVMSZMXXLW-CQSZACIVSA-N 352.242 4.805 0 40 FJAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1c(C(=O)O)oc2ccccc12 565104592 VAHHKESVVUMOGW-ZFWWWQNUSA-N 353.393 4.648 0 40 FJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(F)cc1Cl 585150132 BRONFVUOGRUYDZ-UHFFFAOYSA-N 369.827 4.931 0 40 FJAB c1ccc(C[C@@H](N[C@H]2CCCn3ccnc32)c2nc3ccccc3s2)cc1 655774532 VOXFIQSLJALOMH-RBUKOAKNSA-N 374.513 4.901 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 997315 OKRTWKCRKCEFCQ-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1Cl)C(C)=O 1367695 QILIHDDCCCOCES-UHFFFAOYSA-N 368.864 4.754 0 40 FJAB Cc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1Cl 2658418 CLHXTOJXIVWMCZ-UHFFFAOYSA-N 373.953 4.599 0 40 FJAB COc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2c1 3196675 UJQMGLSEZUUZRY-UHFFFAOYSA-N 353.230 4.864 0 40 FJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2s1 3229937 UNZCHMPHYXAURC-QWRGUYRKSA-N 354.928 4.831 0 40 FJAB Cc1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1 3411249 MREAUMRYNZENHI-UHFFFAOYSA-N 352.488 4.537 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 4033008 RVWKYMXDPNQWMY-UHFFFAOYSA-N 370.456 4.946 0 40 FJAB O=C(C[C@@H](SC1CCCCC1)C(=O)O)c1ccc(Br)cc1 4118244 COGGSKGILQHSPL-OAHLLOKOSA-N 371.296 4.541 0 40 FJAB Cc1nn(-c2ccccc2)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 4488696 UQVWFPMMIDUJMN-UHFFFAOYSA-N 354.335 4.810 0 40 FJAB CCSc1cccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 4585797 JYYRHAADUALLTN-UHFFFAOYSA-N 374.487 4.678 0 40 FJAB CCOC(=O)Nc1ccc(C(=O)OCC23CC4CC(CC(C4)C2)C3)cc1 4779442 KEHWRQDZZHSNGG-UHFFFAOYSA-N 357.450 4.628 0 40 FJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cccs2)cc1 5689712 UAUQEYNDKIGMFU-FQEVSTJZSA-N 364.470 4.566 0 40 FJAB c1ccc2sc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)nc2c1 7275092 VJCYUZHAQGHHSL-UHFFFAOYSA-N 352.440 4.739 0 40 FJAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2n1 7426752 JQFFIQRIVBEJMK-ZDUSSCGKSA-N 353.805 4.625 0 40 FJAB O=C(/C=C/c1ccc2ccccc2n1)OCCOc1cccc(Cl)c1 7984939 ZPNFJSAIULJNSJ-ZHACJKMWSA-N 353.805 4.524 0 40 FJAB CCc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(Br)c1 8200213 OMMFHJYVZYOXMD-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB c1nc(Sc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCCC3 8514985 ZVMBIKOXKKDWHK-UHFFFAOYSA-N 370.499 4.883 0 40 FJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1nc2ccccc2s1 9533231 HCRQPYROTKRWCW-SFHVURJKSA-N 359.454 4.822 0 40 FJAB COc1ccccc1C1(NC(=O)c2nsc(Cl)c2Cl)CCCC1 12155218 JELAXKNMGBVTHT-UHFFFAOYSA-N 371.289 4.658 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc2ncsc2c1 12266551 SEGCWSHGGXAQNT-GOSISDBHSA-N 350.468 4.877 0 40 FJAB O=C(NC1CCCCCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O 12374330 GUUOVQLKOJJPLE-UHFFFAOYSA-N 354.233 4.552 0 40 FJAB Cc1nc(Oc2cccc(N3CCCC3=O)c2)c2c(C)c(C)sc2n1 12795148 KVGSPSHVGRCFDY-UHFFFAOYSA-N 353.447 4.536 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc(Cl)c1 12947521 AFEFYLIJBQHYGR-LLVKDONJSA-N 362.907 4.945 0 40 FJAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCCCC1)c1ccccc1 13686679 JGSDZBHLKKPBDK-MRXNPFEDSA-N 350.462 4.696 0 40 FJAB O=C(c1ccc(N2CCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 14400858 UONSMZUAFJRYNW-UHFFFAOYSA-N 362.517 4.772 0 40 FJAB Cc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1 15842233 HKRQJEFYHBSXIB-UHFFFAOYSA-N 367.456 4.969 0 40 FJAB COc1cccc(CN[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 16228009 GPDMMEGQEBYRRA-NRFANRHFSA-N 371.440 4.624 0 40 FJAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2Cc2ccoc2)c1 19235330 DAIVFVWRPKSNGP-NQIIRXRSSA-N 370.456 4.560 0 40 FJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C)cc1 19934796 GNCBAECKVJENMH-KRWDZBQOSA-N 372.317 4.873 0 40 FJAB CCC(=O)Nc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 20096483 BVSZESDVUZIPCO-UHFFFAOYSA-N 350.462 4.794 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCCc2cccs2)c(C(F)(F)F)c1 22227143 DMBILTDRUQNSKI-UHFFFAOYSA-N 370.396 4.687 0 40 FJAB CSc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 23718954 QNGWFABPTDIUGN-XNTDXEJSSA-N 374.259 4.516 0 40 FJAB Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n(Cc2ccccc2)n1 28220125 MQMSGGIIQMLADT-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1 32815308 MXQSZNNUUSERRI-UHFFFAOYSA-N 356.307 4.813 0 40 FJAB O=C(OCc1cccnc1Cl)c1csc(-c2cccc(Cl)c2)n1 65584765 DVQMDCJQCGHNAW-UHFFFAOYSA-N 365.241 4.869 0 40 FJAB CC(C)CNc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72213250 SUEYFLPALSHLDX-LJQANCHMSA-N 353.466 4.623 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357588 WITLXMOOEVEKHR-QFIPXVFZSA-N 360.432 4.789 0 40 FJAB FC(F)c1nc(N2CC(c3nc4ccccc4s3)C2)c2ccccc2n1 79102883 ZMAMLWPZKXJXOJ-UHFFFAOYSA-N 368.412 4.781 0 40 FJAB COc1cc(C(=O)Nc2cccc3c2ccn3C(C)C)cc(OC)c1OC 95473068 MMJVPVCIAGKEBW-UHFFFAOYSA-N 368.433 4.500 0 40 FJAB CCc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(Br)c3)C2)cc1 95946339 FVJQBDDQZPAVOW-LJQANCHMSA-N 371.278 4.709 0 40 FJAB COc1c(C(=O)NC2CCCCC2)cc2ccccc2c1Br 98086945 HVKLQPPKVLUSGO-UHFFFAOYSA-N 362.267 4.673 0 40 FJAB Cc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3ncnc3N2)cc1 101150421 YEUSEQBEXRGNCS-INIZCTEOSA-N 357.244 4.949 0 40 FJAB C[C@]12C[C@@H](NC(=S)N1c1cccc(Cl)c1)c1cccc(Cl)c1O2 101170187 ZMRGRFAHNXSYSA-PBHICJAKSA-N 365.285 4.928 0 40 FJAB COc1ccc(NC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1Cl 104604680 VZHDTXDEEYZOSW-VCKYCXPWSA-N 354.277 4.865 0 40 FJAB CCCOCc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC 224420541 ILCHKPHGBWKKHR-CQSZACIVSA-N 361.869 4.766 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224452861 FRDRKDDFWVYRPZ-QZTJIDSGSA-N 369.877 4.814 0 40 FJAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224716609 NVZLIPXCCINLEJ-UHFFFAOYSA-N 364.681 4.862 0 40 FJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)c(C)n1 225907305 ZILAPBAUGLZOJJ-HXUWFJFHSA-N 350.503 4.883 0 40 FJAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)n1 225976008 XSTMDELJOJXXQP-UHFFFAOYSA-N 374.941 4.545 0 40 FJAB O=C1N[C@@H]2S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3[C@H](c3ccc(Cl)cc3)[C@H]2S1 245204341 YTFQJULJUPEYPV-PLCXRYNOSA-N 351.924 4.736 0 40 FJAB CCCc1sc(NC(=O)c2ccco2)nc1-c1cc(OC)ccc1OC 408835944 ZULACTAGKXHNNA-UHFFFAOYSA-N 372.446 4.625 0 40 FJAB Clc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)cc1 585081866 QUQKBKAAJJDBHV-AZUAARDMSA-N 354.837 4.615 0 40 FJAB O=C(Nc1ccc(-c2nc3ccncc3[nH]2)cc1)c1ccsc1Cl 1623323235 BEWRJSTYABMAGB-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Cl)c1OCC 624042 UCKNPWDDXYEYEK-UHFFFAOYSA-N 363.841 4.521 0 40 FJAB CC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)O[C@@H]1c1ccccc1Cl 633067 GFLXIBRLEOEVOF-MRXNPFEDSA-N 368.742 4.598 0 40 FJAB O[C@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc12)[C@H]1CCCCN1 1733785 AJCGFJGKPNNFGK-WIYYLYMNSA-N 352.865 4.731 0 40 FJAB CC(C)(C)NC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3 2222772 ZRWARPYEKRJCCC-GFCCVEGCSA-N 359.539 4.558 0 40 FJAB COc1ccc(C2=C(C)SC3=NNC(c4ccc(Cl)cc4)=CN32)cc1 2274411 SQIYCQKOQQOUBR-UHFFFAOYSA-N 369.877 4.959 0 40 FJAB COc1cccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 2306515 KTBXYELCUPXZLG-UHFFFAOYSA-N 370.387 4.783 0 40 FJAB CCCn1nc(NC(=O)c2ccccc2OC)c2cc3cc(C)ccc3nc21 2422359 IYEHVIUMKIRYLE-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB CCCCNC(=O)N[C@@H](c1ccc(C)c(F)c1)C(Cl)(Cl)Cl 3191377 HZPQLJGUYKYEDH-LBPRGKRZSA-N 355.668 4.645 0 40 FJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1C(F)(F)F 3328893 GSOICGBNJBJDAD-ZROIWOOFSA-N 351.711 4.703 0 40 FJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)c2ccccc2)s1 3374816 DYYWUXGGDJOPSU-UHFFFAOYSA-N 355.488 4.874 0 40 FJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCc2ccccc2C1 3431458 PLVAYYZOZXZZMZ-GOSISDBHSA-N 356.469 4.739 0 40 FJAB Cc1ccc2c(COC(=O)c3cccc(Cl)c3Cl)cc(=O)oc2c1 3512596 MFIKTHHJPCQLRR-UHFFFAOYSA-N 363.196 4.765 0 40 FJAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 4911777 MSBPBMLRHXKRCB-LBPRGKRZSA-N 359.853 4.710 0 40 FJAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)c(C)c3)=NN12 5148927 AZXTUVGLPQWGGX-TZIWHRDSSA-N 352.503 4.926 0 40 FJAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1C(C)(C)C 5382983 GYPGQSKFTLTBHQ-KRWDZBQOSA-N 361.898 4.923 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Cl)cc1 5774506 ZWGAPKJBDWTVCH-UHFFFAOYSA-N 350.805 4.845 0 40 FJAB c1ccc(CCSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 6531513 DAZVLBIIEXVYCR-UHFFFAOYSA-N 372.497 4.723 0 40 FJAB COc1cc(NC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 6641394 DLQCONAGDUJJMZ-UHFFFAOYSA-N 371.220 4.663 0 40 FJAB Cc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4C)c3C)n2)cc1 7006598 ORTXMSFHHYYVNX-UHFFFAOYSA-N 365.824 4.563 0 40 FJAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cncc(Br)c1 7285297 PPKCMVJAUNIVNY-UHFFFAOYSA-N 365.230 4.668 0 40 FJAB O=C(CSCc1ccccc1Cl)Nc1ccc(N2CCCC2)cc1 10430387 SOTNITPQUHMOIG-UHFFFAOYSA-N 360.910 4.812 0 40 FJAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CC[C@H]2CCCC[C@@H]2C1 12516244 RUCKHNLLOYUNHN-IEBWSBKVSA-N 371.484 4.949 0 40 FJAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(Cl)c(Cl)[nH]1 12738994 NTFYTLCUSKXTNI-UHFFFAOYSA-N 371.227 4.889 0 40 FJAB Cc1sc2nc([C@@H](C)N[C@H](C)c3ccc(Cl)cc3)[nH]c(=O)c2c1C 14137087 BQKLUWSPPHHPNO-GHMZBOCLSA-N 361.898 4.667 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14609388 ZITFNITXQPJMGP-UHFFFAOYSA-N 374.831 4.840 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)NCC1(c2ccccc2)CC1 14801415 TZZYGYHIYBCFFH-UHFFFAOYSA-N 355.437 4.977 0 40 FJAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccccc2Cl)s1 15840081 QAYBDJXSOOVRMA-UHFFFAOYSA-N 362.907 4.692 0 40 FJAB CCOc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c2cccnc12 15840788 LXAZRWIMGBWJLM-UHFFFAOYSA-N 364.445 4.921 0 40 FJAB COc1cccc([C@H]2CCCN2Cc2c(-c3ccccc3)nn(C)c2C)c1 19715872 JIBIOKCYGBPCSE-JOCHJYFZSA-N 361.489 4.741 0 40 FJAB COc1ccc(-n2nc(Nc3ccc(F)cc3)c3c2C[C@H](C)CC3=O)cc1 20796906 ZKCXZJBDOMRWNI-ZDUSSCGKSA-N 365.408 4.529 0 40 FJAB CCCOc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)c1 21170908 WNFUIMFKTAFMHP-OAQYLSRUSA-N 372.553 4.736 0 40 FJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)c(F)c1 21414478 XPBGMIHOEBTDKJ-GFCCVEGCSA-N 374.362 4.569 0 40 FJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1C 21580233 HHUNJIGCVUDENQ-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB Cc1ccccc1NC(=O)CSCc1ccccc1Br 22830841 KZEWPWKJTJAEDP-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1Cc2ccccc2O1 30316828 FFUNRRNUVRIWPH-PIGZYNQJSA-N 350.245 4.517 0 40 FJAB O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 30944009 VQORJZJXOCTZCI-SFHVURJKSA-N 362.945 4.781 0 40 FJAB CC(C)Sc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CC2)cc1 38591307 BUUJSJOIYHAZPR-UHFFFAOYSA-N 357.494 4.717 0 40 FJAB CN(c1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 40114561 NYNRWGKGFQGWKP-SFHVURJKSA-N 371.440 4.519 0 40 FJAB Cc1sc2c(c1C)CN(Cc1ccccc1)CN2C(=O)c1ccco1 54072985 XUIXHHUSIOCGOI-UHFFFAOYSA-N 352.459 4.578 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(-c2cnco2)cc1 54150029 ATLLDGIVSADQAF-UHFFFAOYSA-N 361.445 4.974 0 40 FJAB Cc1nc(CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1 54203684 AQDCMXWKHDTEFX-CYBMUJFWSA-N 369.465 4.694 0 40 FJAB CCc1ccc(CN(C)[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)cc1 57364837 FWNSSTOKPHTTHU-ZDUSSCGKSA-N 354.523 4.646 0 40 FJAB CC(C)(C)c1ncc(NC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cn1 89725331 BPFUFUJMEGFZPD-JTSKRJEESA-N 364.493 4.707 0 40 FJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccccn5)(C4)C2)C3)cc1 102352093 LGHGPOKLZQSUKF-TWVWUCKLSA-N 362.473 4.567 0 40 FJAB O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1-c1ccsc1 206825333 OVEZXXQWHFOMJV-ACCUITESSA-N 355.484 4.505 0 40 FJAB CC(C)Sc1ccc(CC(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 211117588 YOCQPEAUEBWEHA-FQEVSTJZSA-N 368.546 4.515 0 40 FJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1c(F)cccc1Cl 215117885 VTVVIPCCUDTIHP-NTUHNPAUSA-N 353.827 4.777 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccccc1 216267026 DJWHTKJWLHWWCN-FQEVSTJZSA-N 357.519 4.510 0 40 FJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222623149 MUZGMHLPAWLDQG-ORYQWCPZSA-N 374.513 4.770 0 40 FJAB Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222904313 YSMHSPGIAIQFQX-KRWDZBQOSA-N 353.531 4.984 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 223412799 LKFYFLRPVYNBEH-QGZVFWFLSA-N 362.498 4.933 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 224357199 IZQJTHAJRBPFRC-VQTJNVASSA-N 362.502 4.710 0 40 FJAB CCCNC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225450242 ROWMDQBKGBBGMQ-UHFFFAOYSA-N 359.473 4.610 0 40 FJAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 225456471 LZRWHQTZBPKQEO-UHFFFAOYSA-N 372.881 4.527 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 225717739 QZZHPLCLVDPZNE-QGZVFWFLSA-N 358.507 4.758 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(OC)c(C)c1 225787950 UJHMVHHVQNOSEX-WMLDXEAASA-N 361.869 4.692 0 40 FJAB CN1C(=O)S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 408830103 YAMUFBRZDODNTM-QPEQYQDCSA-N 354.214 4.920 0 40 FJAB COc1cc(C)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409093570 ATYWOEGUQQJIJI-AUWJEWJLSA-N 363.335 4.524 0 40 FJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 409102221 VITQAPXNWDSNJD-UHFFFAOYSA-N 355.482 4.956 0 40 FJAB COc1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 667353 PIQVCWQMUDKAER-UHFFFAOYSA-N 365.454 4.864 0 40 FJAB Cc1ccc2nc(N3CC(=O)Nc4ccccc43)nc(-c3ccccc3)c2c1 754028 OGPYUNMPCVUPCS-UHFFFAOYSA-N 366.424 4.695 0 40 FJAB COc1cc(C(=O)Nc2cccnc2)ccc1OCc1ccccc1Cl 1102675 OALZABRGZLJSRD-UHFFFAOYSA-N 368.820 4.575 0 40 FJAB O=c1c2ccccc2nc2n1[C@H](CSCc1ccc(Cl)cc1)CS2 1405489 XXZNPEFTVPSLQG-CQSZACIVSA-N 374.918 4.630 0 40 FJAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 2125577 OLKAWLGGNUESOM-HNNXBMFYSA-N 350.414 4.786 0 40 FJAB biogenic COc1ccccc1Cn1c(-c2cccs2)nc2nc3ccccc3nc21 2253170 HCSUJRXVFVNNOH-UHFFFAOYSA-N 372.453 4.765 0 40 FJAB CCC(C)(C)[C@@H]1CCc2sc3ncnc(NCCCN(C)C)c3c2C1 2364910 MDOXNSHZOAMVCC-CQSZACIVSA-N 360.571 4.596 0 40 FJAB CCCCCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2381602 MJQICQORGBTUNX-UHFFFAOYSA-N 368.481 4.560 0 40 FJAB O=C(c1cccc(CN2CCSCC2)c1)c1cc(Cl)ccc1Cl 2515308 WJNAWOOAERWDKA-UHFFFAOYSA-N 366.313 4.773 0 40 FJAB O=C(COC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 2617822 KZCVLTRDOCICSI-UHFFFAOYSA-N 363.438 4.633 0 40 FJAB O=C(Nc1ccccc1-c1ccccc1)c1cncc(Br)c1 2657051 HJAGDJHUXPEZOW-UHFFFAOYSA-N 353.219 4.763 0 40 FJAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1C 3008129 VEWOSGRPSYSBJO-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB COc1ccc(C(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 3228385 IUTCDTYBHVYVQP-UHFFFAOYSA-N 360.818 4.603 0 40 FJAB CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccco1 4516218 SAUBHUSKGORVIM-UHFFFAOYSA-N 358.448 4.567 0 40 FJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)c1 4660899 WYVXNTOFMHLBGF-UHFFFAOYSA-N 369.467 4.503 0 40 FJAB C[C@@H](CC(=O)Nc1cccnc1)CC(=O)N(c1ccccc1)c1ccccc1 4677027 NZHZAFOLQZPCKL-SFHVURJKSA-N 373.456 4.801 0 40 FJAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NC1CCCCC1 5137357 WAYBEPSPXZPLKL-UHFFFAOYSA-N 363.914 4.638 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@H](C)C4)cc1 5214451 FOYZVPOWXAIEPL-AWEZNQCLSA-N 355.459 4.667 0 40 FJAB CCn1c([C@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C2)nc2ccccc21 5235903 WJQKMKKUJOSKHS-AWEZNQCLSA-N 353.853 4.539 0 40 FJAB CC(C)c1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc1 5427595 HUMLWHKFDTVVJW-UHFFFAOYSA-N 355.482 4.960 0 40 FJAB CC(=O)O[C@H]1c2cc(Br)ccc2O[C@@H](c2ccccc2)[C@H]1C 5530649 HFTDLEDPSINFHJ-HWOJHCLVSA-N 361.235 4.823 0 40 FJAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2[nH]1 5531635 HLZSQIIPCIDHTC-NRFANRHFSA-N 366.424 4.554 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1 6377223 ORINRGMEBXIFMQ-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1C 6908844 MPSFYBHTPUTYEY-MRXNPFEDSA-N 350.491 4.537 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1C 7318727 KUQVCEQQLGNKGC-UHFFFAOYSA-N 371.440 4.782 0 40 FJAB COc1ccc(OC)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 7668481 QYAZDMLWBCIQLU-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB COCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8469022 UMIFTWAGLQSPNV-UHFFFAOYSA-N 355.865 4.808 0 40 FJAB COc1cc(C(=O)N[C@H](C)c2cccs2)ccc1OCc1ccccc1 8726508 UEYWGWXSLKPMML-OAHLLOKOSA-N 367.470 4.827 0 40 FJAB C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9378190 HLOZXCPARBGCNB-ZDUSSCGKSA-N 373.909 4.966 0 40 FJAB Cc1ccc(NC(=O)/C=C/c2cccc3cccnc23)c(Br)c1 12901103 XMCFAJFTYLCWRS-CSKARUKUSA-N 367.246 4.958 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCOc4ccccc43)ccc2c1 14198535 JAKOUDPFAGQQSP-BTYIYWSLSA-N 361.441 4.592 0 40 FJAB O=C(COc1ccc(C2SCCS2)cc1)NC1CCCCCCC1 19173770 KNMDPDGRXISMEQ-UHFFFAOYSA-N 365.564 4.773 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1cc(-c2ccco2)on1 22768622 LFIPKWGBUKKZRZ-UHFFFAOYSA-N 372.424 4.773 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 23499210 KCTDEIHVFKYHQK-LLVKDONJSA-N 354.281 4.645 0 40 FJAB CC(=O)Nc1ccc(OC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)cc1 32988081 GOWKYCGYCPLOFA-AWEZNQCLSA-N 374.440 4.537 0 40 FJAB O=C(NC(=S)NC1CCCC1)c1sc2cc(Cl)ccc2c1Cl 33718720 OVZYDJLSLOXKFK-UHFFFAOYSA-N 373.330 4.755 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccccc2)c(Cl)c1 44842365 BTTSXMDPBNCZAA-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB C[C@@H](CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1 48327518 GXXBYBMQBWOUNZ-LBPRGKRZSA-N 352.297 4.663 0 40 FJAB COc1cc(NC(=O)[C@H](C)SCc2ccccc2)c(OC)cc1Cl 57557599 MIKIKURUBUEMPQ-LBPRGKRZSA-N 365.882 4.618 0 40 FJAB CCN(CC)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)CC(C)C 58828348 YTKDVRJNNFTUBQ-CQSZACIVSA-N 359.436 4.583 0 40 FJAB COc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1ccc(F)c(F)c1 66088462 HEICNTINEZMEAK-UHFFFAOYSA-N 371.358 4.956 0 40 FJAB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1ccc(F)cc1F 72289003 BSPRDNLJAVAVII-SFHVURJKSA-N 362.420 4.578 0 40 FJAB Cc1nc(CN2CC[C@@H](Nc3ccccc3)C2)oc1-c1ccc(Cl)cc1 75109105 LFYAKGRXZYAGFD-LJQANCHMSA-N 367.880 4.990 0 40 FJAB Cc1sc(CCNC(=O)c2ccc(F)cc2Cl)nc1-c1ccccc1 78878748 QTJZBZYGVBADBF-UHFFFAOYSA-N 374.868 4.884 0 40 FJAB CC(C)(C)OC(=O)N1CCc2cc(NC(=O)OCc3ccccc3)ccc21 89209610 OEASUFLNPCCMEH-UHFFFAOYSA-N 368.433 4.733 0 40 FJAB CCOc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)c(C)c1 95097217 AFXBVRHSFLTQGN-UHFFFAOYSA-N 374.506 4.525 0 40 FJAB Cc1ccc2nc([C@H]3CCCN(c4ncnc5ccc(C)cc45)C3)[nH]c2c1 95469168 AUUDVFPBMYIAQQ-INIZCTEOSA-N 357.461 4.507 0 40 FJAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl 96761802 UMQMOWKQPGHMFT-UHFFFAOYSA-N 352.261 4.510 0 40 FJAB Nc1cc(-n2cc(C(=O)C(F)(F)F)c3ccccc32)cc(C(F)(F)F)c1 199735483 GLHVOPJSSXFSAS-UHFFFAOYSA-N 372.268 4.977 0 40 FJAB CCCc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1 223372031 RHQUMPUOYSMMCY-UHFFFAOYSA-N 352.261 4.755 0 40 FJAB COc1ccc(C(=O)NC(C)C)cc1COc1ccc(C(C)(C)C)cc1 224177616 JAQNNWXSPWOJAU-UHFFFAOYSA-N 355.478 4.710 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881547 KEGUBEQCFNTNSH-LBPRGKRZSA-N 353.340 4.554 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccccc1C 225757711 DUPUWDHMFRZSJZ-KRWDZBQOSA-N 356.491 4.528 0 40 FJAB CCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1C 225772420 ISAICTSVJBBBIB-UHFFFAOYSA-N 355.478 4.544 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc(OC(C)C)c3)N21 260769288 LIIIYVMWBZEOHR-UXPWSPDFSA-N 367.518 4.848 0 40 FJAB CCCc1sc(NC(=O)c2ccco2)nc1-c1cc(OC)cc(OC)c1 408826412 CDBVOSMQGVDVLM-UHFFFAOYSA-N 372.446 4.625 0 40 FJAB CCOC(=O)CCCC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575359934 AXNHJYLKILORDF-UHFFFAOYSA-N 356.262 4.640 0 40 FJAB O=C(CCCCCn1cccc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 604418581 ZSNDKKXDTDTNPR-FQEVSTJZSA-N 364.493 4.679 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)CC1 650584698 FESWXQIHNQVQDK-TUNPWDSISA-N 373.541 4.596 0 40 FJAB COc1ccc(NC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1 1306003 ATZSPTFSULQZCW-UHFFFAOYSA-N 352.434 4.938 0 40 FJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc(F)c1 1353700 PMLMSPMJISDKPG-UHFFFAOYSA-N 366.367 4.545 0 40 FJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1c(Cl)cccc1Cl 1735613 URYHRBXPNGXPID-ZSOIEALJSA-N 352.604 4.991 0 40 FJAB CCn1nc(NC(=O)c2ccccc2Cl)c2cc3cccc(C)c3nc21 2402165 ACSASESGMRNGEP-UHFFFAOYSA-N 364.836 4.819 0 40 FJAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccn3C)nc12 2618729 RBNQBXBEHADYCE-UHFFFAOYSA-N 361.470 4.790 0 40 FJAB O=C(Cc1ccc(Br)cc1)OCc1c(F)cccc1Cl 3274215 JBJBIDICBGLITB-UHFFFAOYSA-N 357.606 4.528 0 40 FJAB CCCCS/C=C1\CCCC(C)(C)[C@@]1(O)CSc1nccn1C 4114385 FPKRRRKCOHSCJI-FDPSAONLSA-N 354.585 4.871 0 40 FJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccccc21 4289555 BPPPQVCMMVKXHY-UHFFFAOYSA-N 359.882 4.749 0 40 FJAB COc1cccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c1 4306643 PRZZOLPQGVUNOS-HXUWFJFHSA-N 360.413 4.588 0 40 FJAB CCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1-c1ccccc1 4351834 PAJMQNXHACIZEF-UHFFFAOYSA-N 357.413 4.548 0 40 FJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 4816510 LTPBWWHLRKJSFF-NHCUHLMSSA-N 374.488 4.844 0 40 FJAB Cc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 5137327 LRLCBNVSKUEBSF-UHFFFAOYSA-N 356.878 4.744 0 40 FJAB CCOc1cc(C(=O)Nc2ccccc2CC)cc(OCC)c1OCC 5667825 BPTHYYFRQADWCP-UHFFFAOYSA-N 357.450 4.697 0 40 FJAB CC1=C(C(=S)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 5757467 CZDOLCFOGDUISK-UHFFFAOYSA-N 371.911 4.639 0 40 FJAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 6994121 OZXFBPQRPZMXBD-UHFFFAOYSA-N 356.422 4.909 0 40 FJAB COc1cccc(-c2nnc(SC(=O)c3ccc4ccccc4c3)o2)c1 7939591 YXQOVBQPKWUJQI-UHFFFAOYSA-N 362.410 4.831 0 40 FJAB Cc1ccc2c(CC(=O)Nc3nc(-c4ccc(C)o4)cs3)coc2c1 8337776 YBEIXRHSBRUQLW-UHFFFAOYSA-N 352.415 4.947 0 40 FJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1 9337206 BSPPBSZIENLKTC-UHFFFAOYSA-N 358.850 4.557 0 40 FJAB C[C@@H]1c2ccsc2CCN1c1nc(-c2cccnc2)nc2ccccc12 9645927 JTBBEXPVKTXLOZ-CQSZACIVSA-N 358.470 4.877 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 10129482 KWZMVEMUKJYXDI-HNNXBMFYSA-N 354.878 4.526 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c12 12764618 XZOYJPUPASRKOD-UHFFFAOYSA-N 362.216 4.968 0 40 FJAB CCCCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 13020029 YUTLOMIZBLWLKI-KRWDZBQOSA-N 353.462 4.830 0 40 FJAB C[C@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccc(C(F)(F)F)cc1 14077011 KWWPRKOCRIKQJO-CYBMUJFWSA-N 361.367 4.948 0 40 FJAB CC(=O)NCc1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)o1 14185532 HYNNLYCXDINDAH-UHFFFAOYSA-N 365.817 4.575 0 40 FJAB CCOC(=O)c1sc2ncnc(N[C@@H](c3ccccc3)C3CC3)c2c1C 14301225 PLEOTAUUWKVYEG-INIZCTEOSA-N 367.474 4.740 0 40 FJAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccncc2)nc2ccccc12 16969885 KYILXFOHHUMWOU-UHFFFAOYSA-N 361.351 4.827 0 40 FJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 18079805 FKDMOLQOIRXUKQ-UHFFFAOYSA-N 364.489 4.605 0 40 FJAB Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4C)CC3)o2)s1 19237171 YBODYVPMTYCQST-UHFFFAOYSA-N 353.491 4.795 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1F 20489594 ZUOTZYHBSHGVFE-NSHDSACASA-N 366.230 4.557 0 40 FJAB COC(=O)C1(NC(=O)c2oc3c(ccc4ccccc43)c2C)CCCCC1 22503763 KOHCPVDRHLUSOI-UHFFFAOYSA-N 365.429 4.500 0 40 FJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)CCc1ccccc1 28303774 HMDHUDQCEFOZKG-UHFFFAOYSA-N 367.880 4.773 0 40 FJAB O=C(CSc1ccc(F)cc1)N(Cc1ccccc1)c1ccccn1 32873916 LZGVSJAYTKKGMW-UHFFFAOYSA-N 352.434 4.546 0 40 FJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccncc1 33778909 JLEDQHOJICREGM-LJQANCHMSA-N 351.789 4.516 0 40 FJAB CCCOc1c(Cl)cc(C(=O)N[C@H](C)c2cccs2)cc1OC 36339624 XWFWBXOOEJMMDY-LLVKDONJSA-N 353.871 4.690 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 40141273 HJMHDMRIWJIJLN-UTKZUKDTSA-N 362.498 4.609 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)[nH]n1 40478352 LSUGQSSRCMLBBB-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CC(C)(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCCCO2)c1cccs1 58210026 GBDUYDKRGYJWTP-KRWDZBQOSA-N 360.479 4.818 0 40 FJAB COC(=O)c1ccc(C)c(Oc2nc(-c3cccnc3)nc3ccccc23)c1 58406311 OBFNMFOHMSUQHZ-UHFFFAOYSA-N 371.396 4.579 0 40 FJAB S=c1oc(-c2ccccc2)nn1CN1CCC(Cc2ccccc2)CC1 59474362 ZTGACBYAXSAVTN-UHFFFAOYSA-N 365.502 4.785 0 40 FJAB CN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccc(C(C)(C)C)cc1 59932260 TZEUWKHXJNSNIT-UHFFFAOYSA-N 361.445 4.603 0 40 FJAB Oc1c(Cl)cc(Cl)cc1CNC[C@@H](c1ccccc1)N1CCCC1 84522516 KAKHLLMMUSMFJR-SFHVURJKSA-N 365.304 4.626 0 40 FJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)c[nH]1 84734508 JHOWIWMHLSDAGL-DOTOQJQBSA-N 361.283 4.576 0 40 FJAB CC(C)(C)OC(=O)N1CCC2(CCc3cccc(Br)c32)CC1 91302749 MUPLPTOMZDEVMZ-UHFFFAOYSA-N 366.299 4.664 0 40 FJAB CO[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)s1 96104893 OELKWFLEUMPPTB-ZDUSSCGKSA-N 358.385 4.585 0 40 FJAB Cc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)cc1C 100476994 OVNFNPFOHUSDKE-QVKFZJNVSA-N 367.518 4.638 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C(F)(F)F)c1 222827540 JLWOOLKJKCUUQH-KRWDZBQOSA-N 365.395 4.796 0 40 FJAB Cc1cc(C)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)c1 223992476 RVBSXUPSTRFSEO-UHFFFAOYSA-N 353.535 4.887 0 40 FJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc(C)c1Cl 224916586 UNRSUDFDPIFERX-MRXNPFEDSA-N 372.896 4.963 0 40 FJAB Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 224935945 AXUAJULVSIGZDB-UHFFFAOYSA-N 364.681 4.780 0 40 FJAB COc1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225139276 WLCFAXQKZKWGLY-OAQYLSRUSA-N 364.397 4.562 0 40 FJAB CC[C@@H](C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225189856 LHPVHUDEMBZLON-LLVKDONJSA-N 351.928 4.971 0 40 FJAB CN(CCCNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225338337 HKHABUDBNXMTRE-UHFFFAOYSA-N 365.304 4.569 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(C)c(C)c2)c2ccccc2O1 225654456 VUDASFLEOJOCTF-HXUWFJFHSA-N 367.489 4.881 0 40 FJAB Brc1cc(Br)c2[nH]c(Cc3ccccc3)nc2c1 226342876 LIRJQANCALPRNU-UHFFFAOYSA-N 366.056 4.679 0 40 FJAB O=C(COCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 382043578 JPLWTLQGXSMJFI-UHFFFAOYSA-N 373.168 4.867 0 40 FJAB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1ccco1 409113688 FVFCXHKMGQOFRY-UHFFFAOYSA-N 372.490 4.535 0 40 FJAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1 575410797 BGXOFKRZIKCRKM-UHFFFAOYSA-N 372.424 4.980 0 40 FJAB O=C(NC[C@@H](c1ccco1)c1cccs1)NC12CC3CC(CC(C3)C1)C2 585147747 XSTOVEQZLDTESL-HQHQJUQOSA-N 370.518 4.741 0 40 FJAB Cc1ccc2nc(S[C@H](C)C(=O)c3ccc(OC(F)F)cc3)[nH]c2c1 1656051501 LAZOIGHJRWYYAL-LLVKDONJSA-N 362.401 4.836 0 40 FJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 1051249 PIGXIRMQWMYXIF-UHFFFAOYSA-N 362.451 4.565 0 40 FJAB CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1 1962502 RYNIJARMZWAKMP-UHFFFAOYSA-N 369.461 4.750 0 40 FJAB COc1cccc(-c2ccc(-c3noc(-c4cccc(C)c4)n3)c(OC)n2)c1 2401836 KSNPZTPSYNGBMD-UHFFFAOYSA-N 373.412 4.791 0 40 FJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 4070441 VSSKUYRUWHNWSE-UHFFFAOYSA-N 371.437 4.775 0 40 FJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@H](c3ccccc3)CN12 4086945 ZJWNQSNCOZVELZ-CVDCTZTESA-N 350.421 4.859 0 40 FJAB biogenic Clc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1 4176596 QDSLIUCJTRZEPL-CTNGQTDRSA-N 361.832 4.977 0 40 FJAB O=C(c1cccs1)N(Cc1ccccn1)c1nc2ccccc2s1 4304734 DAQJZTPIWIJUDH-UHFFFAOYSA-N 351.456 4.600 0 40 FJAB CCCCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)cc1 4570424 BOBUMSFXKMSNDV-UHFFFAOYSA-N 374.506 4.546 0 40 FJAB COc1ccccc1C1=NN(C(=O)Nc2ccccc2)[C@H](c2ccco2)C1 4995370 NCNWIZGBCHJQIR-SFHVURJKSA-N 361.401 4.671 0 40 FJAB CCN(CC)CCCN[C@@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1 5347067 PNIFHKSWZZWSNA-REWPJTCUSA-N 360.586 4.614 0 40 FJAB CC1(C)[C@@H](C(=O)OCc2c(F)c(F)cc(F)c2F)[C@@H]1C=C(Cl)Cl 5456039 DDVNRFNDOPPVQJ-WRWORJQWSA-N 371.157 4.877 0 40 FJAB Cc1c(C(=O)NCCCN2CCCCC2)oc2c1ccc1ccccc12 7117206 TVVMQAXRQRQRQS-UHFFFAOYSA-N 350.462 4.500 0 40 FJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 9064407 ZWPNPIPMAXUEIE-SFHVURJKSA-N 352.478 4.700 0 40 FJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc2ccccc2c1 9155372 BQPVNMHKCFTEPR-UHFFFAOYSA-N 371.440 4.941 0 40 FJAB Cc1cccc(OCc2nc(C)c(C(=O)Nc3cccc(F)c3)s2)c1 9251015 KPVVYDOZOBJHSP-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)c(C)c1 9374520 ZPVWBMIKZXTSKG-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccnc1 10000555 RVCGNDHDCUPIEZ-LJQANCHMSA-N 351.789 4.516 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 10366664 PEXDMRVKJHNKTO-LSDHHAIUSA-N 352.434 4.953 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 12226938 MIMSZJJYTLRVPP-UHFFFAOYSA-N 371.396 4.653 0 40 FJAB O=C(C[C@H](C(=O)c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 12531179 YKTJUXCDHSIMIO-GOSISDBHSA-N 354.409 4.802 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3cccc(F)c3)cc(-c3ccco3)nc21 12861727 YIENLNRDASZGCM-UHFFFAOYSA-N 364.380 4.664 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2cc(Cl)ccc2o1 12887477 KNNYQOWKCDESFJ-UHFFFAOYSA-N 361.800 4.896 0 40 FJAB O=C(Nc1cc(Cl)ccc1Sc1ccc(F)cc1)c1cnccn1 12900185 OVAJCRMPHBDYEE-UHFFFAOYSA-N 359.813 4.673 0 40 FJAB Cc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1 13331319 VLVUNCGFRKNCIS-UHFFFAOYSA-N 352.413 4.640 0 40 FJAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1N1CCCC1 14095907 FTHSBBBQSKEJMV-OAHLLOKOSA-N 368.506 4.591 0 40 FJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2ncsc2c1 14190271 TUGAVKMLXINREL-LLVKDONJSA-N 353.472 4.739 0 40 FJAB Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c(Cl)c1 15579886 SXWQUPAYQFCPTQ-UHFFFAOYSA-N 374.868 4.925 0 40 FJAB CCOc1ccccc1NC(=S)NCCSCc1ccc(C)cc1 18145685 ANXZYNNBFNZUCP-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB Cc1sc(NC(=O)c2ccco2)c(CN2CCc3ccccc3C2)c1C 19879526 XYNRXLKJQMYGDO-UHFFFAOYSA-N 366.486 4.769 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1Cl 20546516 DNYWIDAUIKISPT-UHFFFAOYSA-N 353.647 4.554 0 40 FJAB c1ccc(NC2=N[C@H](c3ccccc3)Nc3c2cnn3-c2ccccc2)cc1 20799562 CQSSLWFOBZGHBO-NRFANRHFSA-N 365.440 4.855 0 40 FJAB O=C(OCC(=O)C1CCCCC1)/C(=C/c1ccccc1)c1cccs1 22988349 QXYZNLKLMDSEBZ-NBVRZTHBSA-N 354.471 4.981 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c(C)c1 24993304 VJGDYZUBZXJOSC-UHFFFAOYSA-N 374.488 4.931 0 40 FJAB CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27664251 MSUUIDWSCUEUBI-LJQANCHMSA-N 350.934 4.810 0 40 FJAB CCn1ncc(Br)c1C(=O)Nc1ccc(-c2ccccc2)cc1 28239198 WHNSEFWEJHRXOA-UHFFFAOYSA-N 370.250 4.585 0 40 FJAB COc1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1 28287155 NNNVNRKICLPCDD-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 33333224 PZCOPFAMPUKTAH-FHXOWUIVSA-N 370.836 4.615 0 40 FJAB O=C(c1cc(Cl)ccn1)N1CCCC[C@@H]1c1nc2ccccc2s1 40817872 OTVUANQYTOHVTQ-OAHLLOKOSA-N 357.866 4.712 0 40 FJAB Nc1nnc(-c2cccc(-c3nc(-c4ccc(Cl)cc4)cs3)c2)o1 62581055 NAZJADYWQXZKHA-UHFFFAOYSA-N 354.822 4.763 0 40 FJAB O=C(Nc1ccc(Br)cn1)C1(c2cccc(Cl)c2)CCC1 69452834 SVTJDHKGIODOIL-UHFFFAOYSA-N 365.658 4.558 0 40 FJAB Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)NCC1CCCC1 76091884 GIECQTUIJVEFTO-ZDUSSCGKSA-N 361.486 4.808 0 40 FJAB CC(C)n1ccc2c(NC(=O)Cc3csc(-n4cccc4)n3)cccc21 95477855 KOXPNACAKRFWDD-UHFFFAOYSA-N 364.474 4.651 0 40 FJAB C[C@H](c1ccccc1)N1CC[C@H](NCCCc2nc3ccccc3s2)C1 97013860 URMDPOGBOZJLMH-MJGOQNOKSA-N 365.546 4.654 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1cc(F)ccc1F)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100195002 CHVWEFCXKUCBPM-PALQFPJUSA-N 355.384 4.960 0 40 FJAB COc1ccc2[nH]c3c(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2c1 100746528 QPGPAELKASZCLS-YEJXKQKISA-N 350.466 4.525 0 40 FJAB O=C(Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)c1ccccc1 102283754 VLZUGYBFUPXSHM-UHFFFAOYSA-N 367.412 4.535 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)c4c(C)noc4C[C@H]32)C1 105364159 FLJCISDPSGXWGJ-BBQMYZGJSA-N 369.505 4.891 0 40 FJAB biogenic CC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 107135988 NFTFZTSLJVKHCS-UHFFFAOYSA-N 360.262 4.581 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 216448970 DEVVUCXACVWGEC-KDOFPFPSSA-N 361.869 4.774 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)c(C)c1)CC(C)(C)O2 218940862 LYGVGNIXKZUHSH-GOSISDBHSA-N 373.880 4.754 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C(C)C)cc1)CC(C)(C)O2 218962593 DADRBTIJEUROTB-FQEVSTJZSA-N 367.489 4.916 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1C 222952696 JAJXIDDWIJPFAD-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1 222995586 DELATIRIWFJWGF-FQEVSTJZSA-N 369.461 4.585 0 40 FJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(Cl)cc1 224127481 CVSFAMYPQOGSSK-HNNXBMFYSA-N 359.897 4.764 0 40 FJAB Fc1ccc(CCCNC(=S)Nc2ccc(Br)cc2)cc1 225546434 RATHVWQDTNMQBC-UHFFFAOYSA-N 367.287 4.507 0 40 FJAB Clc1ccccc1CNc1ncncc1-c1nc(-c2cccs2)no1 225578740 FFRFWYAGZWRMNN-UHFFFAOYSA-N 369.837 4.521 0 40 FJAB CC(C)Oc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225867692 FAVJANDFKDNTIT-UHFFFAOYSA-N 355.507 4.625 0 40 FJAB O=C1C[C@H](c2nc(-c3ccc4ccccc4c3)no2)CN1c1ccccc1F 520459074 NYNPPRGYZBJHGT-KRWDZBQOSA-N 373.387 4.549 0 40 FJAB Cc1ccc(CSc2nnc(-c3ccccc3Br)n2C)cc1 649289 GMOQCVLPZMEWPQ-UHFFFAOYSA-N 374.307 4.845 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1)c1ccccc1Cl 1370217 VUPCTFKVXKFIJF-ROUUACIJSA-N 360.929 4.788 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccccc2s1 2279968 FGQJRMNLJYQZEA-UHFFFAOYSA-N 353.230 4.621 0 40 FJAB Cc1cc(Br)cc(Cl)c1OC(=O)c1ccc(F)cc1F 3374868 WAKCRUNFXDGMSU-UHFFFAOYSA-N 361.569 4.908 0 40 FJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c(C)c2)CSC3)cc1 3893227 DSNQIHOWGYDEEM-UHFFFAOYSA-N 363.486 4.797 0 40 FJAB Cc1ccccc1-c1nsc(SCC(=O)Nc2cccc(C)c2C)n1 4167436 RZOMZQGOEFMPEH-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Cl)CSC2 4175948 PXZWFHVNMGTNCO-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB CCCCc1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 4457332 BHMADCARKPUSLN-UHFFFAOYSA-N 353.535 4.548 0 40 FJAB CC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 5109172 LCUONIBKSJWEAG-UHFFFAOYSA-N 371.893 4.718 0 40 FJAB Cc1ccccc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 5508085 PFBNDGQUFZLXHX-UHFFFAOYSA-N 350.414 4.890 0 40 FJAB C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(Oc2ccccc2)cc1 5694592 LNUSMJKJLBUMLO-HOTGVXAUSA-N 355.507 4.943 0 40 FJAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1 6396906 HYJZSGYFUHDXSO-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1Cl 7405072 JEMMZBXFNXLDAL-UHFFFAOYSA-N 366.216 4.689 0 40 FJAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1cccs1 7533873 UWFGKOAFPSQDFI-FQEVSTJZSA-N 370.401 4.852 0 40 FJAB Cc1cc2nc(Oc3ccc4c(C)cc(=O)oc4c3C)c3ccccc3n2n1 7777114 WGMHTQGPXXLZDS-UHFFFAOYSA-N 371.396 4.706 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1C 7957172 GENVZCAJIGZDBK-LJQANCHMSA-N 354.837 4.551 0 40 FJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)OCO2 8039241 BAOYPUVNGREMFN-UHFFFAOYSA-N 369.804 4.601 0 40 FJAB Cc1noc(C)c1CCC(=O)NCCC(c1ccccc1)c1ccccc1 8341282 IJEXFHJBGKFKQX-UHFFFAOYSA-N 362.473 4.562 0 40 FJAB c1ccc(-c2[nH]c3ccccc3c2CN2CCN(c3ccccn3)CC2)cc1 8704679 GCBUUFBVJVHSHT-UHFFFAOYSA-N 368.484 4.552 0 40 FJAB O=C(Nc1nccs1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 9157785 QGOIPHHPEVKVNF-UHFFFAOYSA-N 365.336 4.602 0 40 FJAB Cc1ccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C 9320914 GXCPDQPSBLIMLF-OAHLLOKOSA-N 367.836 4.527 0 40 FJAB COc1ccc([C@H](c2ccccc2)N(C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 9576658 AGRRJFCBCJZJFS-UNMCSNQZSA-N 367.489 4.591 0 40 FJAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccc(Cl)c1 11804541 TWRUFXJLPYNPSZ-AATRIKPKSA-N 353.201 4.679 0 40 FJAB Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 12401268 YZBBXPUVEWUVSE-UHFFFAOYSA-N 372.881 4.533 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 12509521 KRVZUZNPVXJEMF-UHFFFAOYSA-N 360.457 4.745 0 40 FJAB O=C(Nc1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1 12546301 OQVZPOYCCBAANU-UHFFFAOYSA-N 361.376 4.533 0 40 FJAB Cc1cccc(OCCCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 12631759 NCELAMAEWLKSGL-NRFANRHFSA-N 365.477 4.544 0 40 FJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Br)cc1 12751721 NOCZSMIDSABGOL-UHFFFAOYSA-N 372.262 4.539 0 40 FJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2ccccc2c1 14241480 GWQIYTFKNWBJKM-UHFFFAOYSA-N 351.475 4.535 0 40 FJAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 15330338 ICIDXXNEINOBPB-QGZVFWFLSA-N 351.471 4.534 0 40 FJAB CCCOc1ccc(NC(=O)c2cccc(OCC)c2)c2cccnc12 15841001 WXEMJEDWUGEMMG-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB CC(=O)Nc1ccc(NC(=O)Cc2coc3ccc(C(C)C)cc23)cc1 16806291 JCXJMLLLQUFPBG-UHFFFAOYSA-N 350.418 4.696 0 40 FJAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(C)cc1 17052446 VCLHKDTWXXFOFI-UHFFFAOYSA-N 365.824 4.530 0 40 FJAB Cc1ccc(CCC(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)o1 19236687 PAMPDPNJZNHSBR-UHFFFAOYSA-N 362.473 4.783 0 40 FJAB COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)C2CC2)cc1 19295867 FKAGOSCHWCNYRY-HNNXBMFYSA-N 373.880 4.616 0 40 FJAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc21 21896936 SADWCZJGCDNPEB-UHFFFAOYSA-N 372.424 4.640 0 40 FJAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3cccs3)no2)cc1Cl 23126916 IMWKJETYZQLFCA-UHFFFAOYSA-N 372.837 4.907 0 40 FJAB O=C([C@@H]1CCCO1)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 32796174 VBMHPJPXDLJTAK-KRWDZBQOSA-N 361.894 4.739 0 40 FJAB Cc1ccccc1Nc1nc(CSc2nnc3ccccn23)cs1 40159026 LFCHLJBOFOGXGP-UHFFFAOYSA-N 353.476 4.530 0 40 FJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(CC)cc1 41077066 ZXEZACDCAXBPRN-UHFFFAOYSA-N 363.461 4.535 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)c2ccnc(-n3ccnc3)c2)cc1 48224365 QFPWJZALLFKGMJ-UHFFFAOYSA-N 370.412 4.620 0 40 FJAB N#CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 51330567 RIEWJNZQWMELBG-ICJYZORUSA-N 355.441 4.723 0 40 FJAB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccnc3cc(Cl)ccc23)C1 71873531 PKOWMPRFJGLTMF-OAHLLOKOSA-N 365.864 4.743 0 40 FJAB OC1=Nc2ncn(-c3cccc(Cl)c3)c2[C@H](c2ccc(O)cc2)SC1 95478396 QXXSBUSYWJTIPI-KRWDZBQOSA-N 371.849 4.656 0 40 FJAB O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1 117173991 IJDPWALHXIREJN-UHFFFAOYSA-N 354.837 4.505 0 40 FJAB COCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 208456073 SDZGYYINHYJPCG-UHFFFAOYSA-N 354.453 4.870 0 40 FJAB O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)c1ccccc1 218848936 IYKSDFKHXSRLRK-UHFFFAOYSA-N 365.816 4.589 0 40 FJAB O=C(CSCc1ccccc1F)Nc1ccc(Br)cc1F 222702599 YGPYBEWILYPUEJ-UHFFFAOYSA-N 372.234 4.599 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223201298 MYDHFJZDOJJTPP-UXHICEINSA-N 355.478 4.737 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F 224250877 ZZAHNJAMQBHOTH-CYBMUJFWSA-N 351.874 4.898 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 224916657 WWGCWFXWMYPWCW-UHFFFAOYSA-N 358.869 4.738 0 40 FJAB Cc1cccc(CSCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 224976714 REPHWUFYYVTRAC-UHFFFAOYSA-N 354.519 4.857 0 40 FJAB O=C1C[C@H](c2ccc(Cl)cc2)c2cccn2-c2cc3c(cc21)OCCO3 225380416 AZZQCAILELBFOK-OAHLLOKOSA-N 365.816 4.620 0 40 FJAB C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(F)cc1 225471451 ZRKNZFIRBXUSOE-JTQLQIEISA-N 353.260 4.636 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225662005 XWBFCSJXRPLEDC-UHFFFAOYSA-N 369.461 4.864 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(=O)O)o3)c2)c1 226355954 WMVOWMNJEIHGAQ-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB COc1cccc2c1O[C@](C)(CCCC(C)C)[C@@H]1C[C@@H]3CNCC[C@H]3O[C@@H]21 257265654 LZSXYVVOCTULAC-XDACAXMVSA-N 373.537 4.728 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 408614508 DBUSBKSOQXQYGQ-QFIPXVFZSA-N 372.424 4.593 0 40 FJAB Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2ccccc2o1 408628183 QJDZTJYMLZDYHC-UHFFFAOYSA-N 367.474 4.662 0 40 FJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(=O)c2cc(C)ccc21 408713418 XXDFFOYSRXEJDR-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB O=C(O)COc1c(Cl)cc(-c2nc3ccccc3s2)cc1Cl 409192325 WJYXYTLBDRATKA-UHFFFAOYSA-N 354.214 4.734 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2C)cc1 409380819 IOUWJLAHCZPTFY-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(C(F)(F)F)c1 580124726 YFXCJRDGDBWGPT-UHFFFAOYSA-N 351.368 4.551 0 40 FJAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)c3ccc(F)cc3)n12 877068 RTEZDGKILJSSMJ-UHFFFAOYSA-N 365.433 4.613 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1)c1cccc(Cl)c1 1370221 WGKOWAWOMPOYAV-PMACEKPBSA-N 360.929 4.788 0 40 FJAB Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C(C)(C)C)CC1 1380367 QTGMTKMFZLEICJ-UHFFFAOYSA-N 367.415 4.573 0 40 FJAB CC(C)C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1 1447902 LKALTLWQAWQQCY-UHFFFAOYSA-N 365.410 4.631 0 40 FJAB biogenic CC(C)OCCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CCC3 2231356 ZYFIDGIMLWMEDX-UHFFFAOYSA-N 368.481 4.610 0 40 FJAB CCc1ccc(OCc2nc(-c3ccc(C)cc3)no2)c(Br)c1 2439027 ILKRZZTXBPMHSH-UHFFFAOYSA-N 373.250 4.949 0 40 FJAB Cc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1C 2806602 RGBLTWLTDUHVBO-UHFFFAOYSA-N 370.412 4.733 0 40 FJAB O=C(Nc1cccc(C(F)(F)F)c1)c1c2c(nc3ccccc13)CCC2 3253067 YSVPAODMARBBIG-UHFFFAOYSA-N 356.347 4.995 0 40 FJAB Cc1ccc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)cc1C 5312674 RYJXBBLBRLCICT-UHFFFAOYSA-N 350.447 4.602 0 40 FJAB COc1ccc2oc(C(=O)Nc3ccc(N4CCCCC4)cc3)c(C)c2c1 6248959 FVDPZZQEGDNKTR-UHFFFAOYSA-N 364.445 4.992 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc2cccc(C)c2nc1Cl 6302710 XKDKNQLZVHYSOJ-MRXNPFEDSA-N 369.877 4.956 0 40 FJAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(SC(F)F)cc2)c1 6336052 CBWSLMJWIIKDNP-UHFFFAOYSA-N 357.809 4.981 0 40 FJAB Cc1c(C(=O)N[C@H](C)c2ccc(Br)cc2)oc2ccccc12 6343350 SHDGMECRNUNTQC-GFCCVEGCSA-N 358.235 4.995 0 40 FJAB Cc1cc(C(=O)CSc2nnc(C3CCCCC3)o2)c(C)n1C1CC1 6374339 SIKREPVNJVBPLN-UHFFFAOYSA-N 359.495 4.846 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(Cl)cc1Cl 6583634 DFGFQBAOOAFPER-VQHVLOKHSA-N 352.217 4.663 0 40 FJAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1nc2ccccc2[nH]1 6668257 GLHPKFCLPPFLAS-NSHDSACASA-N 369.881 4.865 0 40 FJAB CCOc1ccccc1C(=O)N(Cc1ccc(OC)cc1)Cc1ccco1 6747567 WMWXNIBSSYTPCX-UHFFFAOYSA-N 365.429 4.530 0 40 FJAB CCc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 6832832 CVVLJGBGMIWTLL-QFIPXVFZSA-N 372.468 4.749 0 40 FJAB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)Nc1ccc2ccccc2c1 6922331 BJMFBHSALNHRPP-UHFFFAOYSA-N 373.408 4.581 0 40 FJAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 7929137 XNXQQKAKJREYOO-QGZVFWFLSA-N 365.473 4.559 0 40 FJAB COc1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 7947059 JSAMBQGODYMOLX-SFHVURJKSA-N 355.484 4.606 0 40 FJAB COC(=O)c1c(C)[nH]c(-c2nc(Nc3cccc(OC)c3)sc2C)c1C 8389486 ACCSDNIEBYOFCO-UHFFFAOYSA-N 371.462 4.602 0 40 FJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C)cc(-c2ccccc2)n1 8654835 ZPJPKHKRSFZNIP-HNNXBMFYSA-N 363.486 4.880 0 40 FJAB C[C@@H](C(=O)NCc1ccco1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420195 BFHLFWNGJMJDGJ-GFCCVEGCSA-N 352.821 4.987 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 10275164 FLAOGHJSKFCALM-BFUOFWGJSA-N 358.869 4.860 0 40 FJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N1CCc2ccccc21 10715067 JAUNNFSLHDKUGP-CYBMUJFWSA-N 368.433 4.551 0 40 FJAB O=C(Nc1ccc(NC(=O)C2CCCC2)c(C(F)(F)F)c1)c1ccco1 10964902 PQADDWXYPRSPOK-UHFFFAOYSA-N 366.339 4.679 0 40 FJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2c(C)cc(C)cc2C)cc1 12768476 HQUPBAROSSXJHX-HNNXBMFYSA-N 356.491 4.690 0 40 FJAB CC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(C)cc1 12784645 YBDGXTMZEDHSNS-INIZCTEOSA-N 356.491 4.595 0 40 FJAB COC(=O)c1ccoc1CSc1nc(-c2ccco2)nc2ccccc12 12808455 WXNUGZWKKIONQA-UHFFFAOYSA-N 366.398 4.562 0 40 FJAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)c1ccc(C(C)(C)C)cc1 12901895 UQBYBXFTJJXKMF-NSHDSACASA-N 361.536 4.773 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1 12938954 JAQZSIUIPLKTAS-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1F 12995389 OGUJNKQGMONPDX-UHFFFAOYSA-N 356.224 4.722 0 40 FJAB O=C(O)c1cccnc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13091466 WTGKPTIRRUWSLG-UHFFFAOYSA-N 351.202 4.610 0 40 FJAB C[C@@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 13137398 QITAXBMVKGBQLN-RCDGMEKDSA-N 360.501 4.797 0 40 FJAB O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 14197559 QDCNZMYWMJXWNA-GOSISDBHSA-N 350.487 4.983 0 40 FJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17074959 ORBOTAKYVJCDLI-UHFFFAOYSA-N 364.470 4.796 0 40 FJAB CCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1 28287427 KARGGNDQSDOEQP-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1 28306283 YTBCQCJMBLWNKB-UHFFFAOYSA-N 363.413 4.930 0 40 FJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CCCCCC2 29327941 WWTZEIIDINSHJG-UHFFFAOYSA-N 353.491 4.556 0 40 FJAB COc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 30980544 SCYOCNYMYLYEAQ-NSHDSACASA-N 353.249 4.562 0 40 FJAB COc1ccc([C@@H](NC(=O)c2cc(C)nc3cc(F)ccc23)C2CC2)cc1 31912117 PHXGSFLZUQDSCB-NRFANRHFSA-N 364.420 4.572 0 40 FJAB Cc1cccc(C)c1N(Cc1ccccc1F)S(=O)(=O)c1ccccc1 33776891 IRZVVOKVUVIBKR-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB Cc1ccc(NC(=S)NCCSCc2ccccc2)c(Cl)c1 33886835 RWMZXCAQMKQXIT-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB Cc1occc1C(=O)Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1F 36395076 BFBHADJIFVXAES-UHFFFAOYSA-N 372.783 4.885 0 40 FJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)N1CCCC1 36646108 ZMLJYMOXRWGWCL-UHFFFAOYSA-N 374.531 4.693 0 40 FJAB O=C(CSc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 39761136 CVSGGLXESMUMGG-UHFFFAOYSA-N 362.454 4.670 0 40 FJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 44843744 QCHXAQXBTZSORT-INIZCTEOSA-N 363.413 4.894 0 40 FJAB COc1cc(N)c2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57352572 XQGKSVCHASHCCA-UHFFFAOYSA-N 354.435 4.895 0 40 FJAB CC(C)c1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413676 UJRYERJVFHHRHW-UHFFFAOYSA-N 353.853 4.784 0 40 FJAB O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCC[C@H](C(F)(F)F)C1 58454583 FIKJMHKYHKWNQH-NSHDSACASA-N 369.412 4.980 0 40 FJAB Fc1ccc(N2CC[C@H](CNCc3ccc4ccccc4c3)C2)cc1F 84605868 SASIKCHGROOHFK-QGZVFWFLSA-N 352.428 4.734 0 40 FJAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCCC2 223137431 AWCTWHDFXKZWEN-QHCPKHFHSA-N 373.500 4.691 0 40 FJAB O=C(CCSCc1ccccc1)NCCOc1ccc2ccccc2c1 223615546 JCLRKBZXWDXXSI-UHFFFAOYSA-N 365.498 4.658 0 40 FJAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)c(C)n1 225911139 LSQUSCQMTOMRHN-IERDGZPVSA-N 362.514 4.883 0 40 FJAB COc1cccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@H]3C)c(C)cc2N)c1 226331580 JOSSNEINGUIPME-IYBDPMFKSA-N 367.493 4.605 0 40 FJAB O=C(NCCc1ccc(-c2ccoc2)s1)NCc1ccc(Cl)cc1 390832125 XLZMUUVCTQGRCQ-UHFFFAOYSA-N 360.866 4.703 0 40 FJAB O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CC[C@H](Cc2ccccc2)C1 1680513511 ZSRMEDKCSWBVCX-YFVAEKQCSA-N 368.908 4.860 0 40 FJAB Cc1c(C)c(I)c2ccccc2c1Br 2362804927 TYYGIEYOMUCNCR-UHFFFAOYSA-N 361.020 4.824 0 40 FJAB O=C1c2ccc(Br)cc2C(=O)N1c1c(Cl)cccc1Cl 850576 CBBYUZNBXKSGLG-UHFFFAOYSA-N 371.017 4.557 0 40 FJAB Clc1ccc(CSc2ncnn2Cc2ccc(Cl)cc2)cc1 939649 RKYPDYAHFAPGSH-UHFFFAOYSA-N 350.274 4.926 0 40 FJAB CN1CCC=C(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1 1655585 CIYMYVMHWSYLLO-UHFFFAOYSA-N 356.878 4.731 0 40 FJAB CCOC(=O)c1ccccc1Nc1ncnc2sc3c(c12)CC[C@H](C)C3 3353911 XZSFISDIPAGOPK-LBPRGKRZSA-N 367.474 4.736 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cn3cccnc3n2)c1 4033218 QZLJXWWTDBPPET-UHFFFAOYSA-N 363.808 4.694 0 40 FJAB CCCC[C@H](CC)C(=O)N1C[C@H](C)N(C(=O)[C@H](CC)CCCC)C[C@@H]1C 4614267 GQHUPNLGVONPND-LWYYNNOASA-N 366.590 4.867 0 40 FJAB Oc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccc(F)cc2)C1 4813432 BMZVWHWPKMYZNC-FQEVSTJZSA-N 357.388 4.995 0 40 FJAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN23)cc1 4854226 JMCMVWPJYWPECF-AVRDEDQJSA-N 374.465 4.809 0 40 FJAB COc1ccc([C@@]2(C)c3ccccc3C(=O)C(C)(C)[C@@]2(C)CC(=O)O)cc1 5064447 DSSXQPRTMCFSOF-PKTZIBPZSA-N 366.457 4.705 0 40 FJAB CC(=O)O[C@H]1c2cc(Br)ccc2O[C@H](c2ccccc2)[C@@H]1C 5534563 HFTDLEDPSINFHJ-FJNPEDAXSA-N 361.235 4.823 0 40 FJAB CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3ccc(OC)cc3)S2)cc1 5869463 QEPPRLMSBLVGDM-LJQANCHMSA-N 368.502 4.690 0 40 FJAB Cc1ccc(OCCCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6052348 PFIAVJVQAIHJCZ-JLEDNIFVSA-N 355.522 4.875 0 40 FJAB CC(=O)Nc1ccc(Sc2nc(-c3cccnc3)nc3ccccc23)cc1 6652365 LBSZTAXBFSWURV-UHFFFAOYSA-N 372.453 4.801 0 40 FJAB O=C(CSc1nccc2ccccc12)Nc1nc2ccccc2s1 6829909 FGYPTSXWQHKKMQ-UHFFFAOYSA-N 351.456 4.575 0 40 FJAB Cc1cc(C(=O)COC(=O)c2csc(-c3ccccc3)n2)c(C)s1 7162625 BTILZAFAKNEBPB-UHFFFAOYSA-N 357.456 4.528 0 40 FJAB Cc1cc(C)cc(OCCSc2nc3ccccc3c(=O)n2C2CC2)c1 7859678 ITEQAPYEIDPCMI-UHFFFAOYSA-N 366.486 4.519 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)NCc3cccc(Cl)c3)ccc2c1 8076970 DPAJGHCYIKFMAB-AWEZNQCLSA-N 353.849 4.922 0 40 FJAB COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)cc1 8101666 MZWHWLOVNVMWJC-AYOQOUSVSA-N 357.837 4.761 0 40 FJAB CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2Oc2ccccc21 9827789 DGEPYOWRJLEDSW-UHFFFAOYSA-N 350.418 4.588 0 40 FJAB c1ccc2sc(CSc3nnc(-c4ccncc4)n3C3CC3)nc2c1 10213444 AGCDYMIXGVTFLJ-UHFFFAOYSA-N 365.487 4.577 0 40 FJAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NC1CCCCC1 12080524 HJQPVJAKPWTPAV-UHFFFAOYSA-N 372.446 4.512 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 12474685 IHJWCYFSWISHBE-ZDUSSCGKSA-N 355.438 4.644 0 40 FJAB O=C1C[C@@H](c2cccs2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15084908 MUIPPZKKULZOGC-NSHDSACASA-N 355.440 4.649 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)ccc1Cl 16022822 SMNDXQYPBRMSOZ-SNVBAGLBSA-N 350.643 4.694 0 40 FJAB O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCc3ccccc32)cc1 20456416 VQYOFGPCHABPND-UHFFFAOYSA-N 364.395 4.780 0 40 FJAB COc1ccc(SCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC 20459315 GSEBQMVBKNXYHR-GOSISDBHSA-N 373.518 4.700 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 20494019 LLMCYMRNOGXKDF-AUSIDOKSSA-N 359.469 4.977 0 40 FJAB CC(C)CCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 21123843 VWCUOHPTEUWINU-UHFFFAOYSA-N 361.489 4.651 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)C1(c2cccc(Cl)c2)CCC1 25031444 FDFRNHISNSDKBK-UHFFFAOYSA-N 357.837 4.562 0 40 FJAB Cc1c(-c2csc(CC(=O)NCc3ccco3)n2)sc2ccccc12 26163709 QPOGSHUKFONCDE-UHFFFAOYSA-N 368.483 4.785 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)c1csc(-c2ccco2)n1 29515053 KLVZVJXHXMBOLQ-UHFFFAOYSA-N 359.457 4.840 0 40 FJAB CC(C)c1nnc(NC(=O)c2ccc(SCc3cccnc3)cc2)s1 32625662 WAVOJSMBVIZGRK-UHFFFAOYSA-N 370.503 4.601 0 40 FJAB Cc1cccc(-n2c(=S)n(CN3C[C@@H](C)O[C@H](C)C3)c3ccccc32)c1 33029203 RKFZPANQLWGBCO-IAGOWNOFSA-N 367.518 4.537 0 40 FJAB Cc1ccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 35446713 QFOFLCNRHOWJKC-HNNXBMFYSA-N 359.395 4.880 0 40 FJAB biogenic,in-vitro CCN(Cc1cccc(F)c1)C(=O)Nc1cc(Cl)c(OC)cc1OC 40103502 UWMXJIVWUOWSBC-UHFFFAOYSA-N 366.820 4.550 0 40 FJAB CCN(CC)CC1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 40120624 CRUGNBZOHPBXNZ-UHFFFAOYSA-N 373.541 4.594 0 40 FJAB CC(C)c1ccc(NC(=O)N(C)Cc2ccc(Br)o2)cc1 43192238 VJAYMDRZDZUWFY-UHFFFAOYSA-N 351.244 4.829 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 44843320 FQTTWTNNKLVCBT-IRXDYDNUSA-N 363.457 4.883 0 40 FJAB CCn1ccnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 58215674 XLPHQYNGVWTEPW-UHFFFAOYSA-N 355.250 4.552 0 40 FJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 59351933 LFAZVVYYCRBXDW-CVEARBPZSA-N 355.478 4.637 0 40 FJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1c(F)cccc1Cl 61972691 UEYMZJHYFCHZOO-UHFFFAOYSA-N 374.824 4.559 0 40 FJAB Cc1cc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)on1 65725846 VLDVBEWZQYWKTI-UHFFFAOYSA-N 360.335 4.599 0 40 FJAB Cc1cc(NC(=O)c2cncn2-c2ccccc2)ccc1Oc1cccnc1 69326855 ROFCSOYDPNWZIJ-UHFFFAOYSA-N 370.412 4.620 0 40 FJAB O=C(CCCc1nc(-c2cccs2)no1)N1CCC[C@@H]1C1CCCCC1 71818189 ANCWUMUZTUAZJA-MRXNPFEDSA-N 373.522 4.692 0 40 FJAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)cnc1N1CCCCC1 72219196 PTVRJNQIUTWKSW-NRFANRHFSA-N 363.505 4.748 0 40 FJAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 72228897 YNHDQBVSNUOKOM-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB COCc1cc(C)nc2sc(-c3nc4cccc(Cl)c4o3)c(N)c12 78546454 QJUOMQDKXNQFSQ-UHFFFAOYSA-N 359.838 4.795 0 40 FJAB O=C(C=C1CCCCC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 79072207 KUWZABIPXJLDNK-LJQANCHMSA-N 355.503 4.701 0 40 FJAB O=C(C1[C@@H]2CCCC[C@@H]12)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 100730980 QYYCSTCJWNHDNP-QZTJIDSGSA-N 355.478 4.513 0 40 FJAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1)N(O)c1ccccc1 100915444 YAMYXDXWQAYIBN-FGZHOGPDSA-N 371.440 4.662 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CSCCN 118916123 QNALNJDVSSJNFL-FAWMDMTCSA-N 365.627 4.842 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CCS[C@H](c2ccccc2F)CC1 219092401 QRTZPHWQUVDYCS-INIZCTEOSA-N 367.848 4.939 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222978103 IGCITRZYQQJTDH-JTSKRJEESA-N 351.490 4.909 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)CCc1ccccc1 223425243 JLFLBBPDRUOHRA-MBSDFSHPSA-N 365.517 4.860 0 40 FJAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 223723871 XDDWJNULAYDNTP-UHFFFAOYSA-N 373.861 4.611 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 224108885 HDOPEEQHTFCNEX-IBGZPJMESA-N 369.505 4.698 0 40 FJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)c1 224223309 OHZQICGRVMDGSL-MSOLQXFVSA-N 365.527 4.937 0 40 FJAB COc1ccc(C(=O)N2CCCCC2)cc1COc1cc(C)cc(C)c1C 224280713 SDYCYVZCHJMGKK-UHFFFAOYSA-N 367.489 4.826 0 40 FJAB CCCOCc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OCC 224711488 GJWOPDKIPVJGNI-GOSISDBHSA-N 369.505 4.763 0 40 FJAB COc1ccc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1 225139458 TWRLJCPWRWGBHM-OAQYLSRUSA-N 364.397 4.562 0 40 FJAB CCCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448319 RWJHVPYQPHTTFJ-UHFFFAOYSA-N 361.445 4.945 0 40 FJAB Cc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)n1 225610930 WTZSLAAUADFKIF-UHFFFAOYSA-N 365.955 4.653 0 40 FJAB Fc1ccccc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225835454 PXYJRYDKLDLYBS-UHFFFAOYSA-N 362.779 4.985 0 40 FJAB CC(C)(C)c1ccc(-c2nc3cc(C(=O)O)cc(Br)c3[nH]2)cc1 226344778 OJKGSRDGYWMUMI-UHFFFAOYSA-N 373.250 4.988 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 257242570 IDDPESFYPAPNBK-QFIPXVFZSA-N 358.441 4.784 0 40 FJAB COc1c(C(=O)NCc2ccccc2)cc2ccccc2c1Br 408622671 QKMZRDWAQOCLAW-UHFFFAOYSA-N 370.246 4.541 0 40 FJAB C[C@H](Oc1ccccc1)c1nc(-c2ccccc2OC(F)(F)F)no1 547025326 VRWZGQHEAVYSMP-NSHDSACASA-N 350.296 4.775 0 40 FJAB Cc1cc2nnn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C 715704 DIEODBGIGDIFSG-UHFFFAOYSA-N 351.413 4.648 0 40 FJAB COc1cc(-c2nnc(-c3ccccc3)o2)ccc1OCc1ccccc1 892003 QWTDARDUDWEKGD-UHFFFAOYSA-N 358.397 4.991 0 40 FJAB Brc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1 1436533 BFJJQBBGSOFZMJ-UHFFFAOYSA-N 350.219 4.826 0 40 FJAB COc1ccc(CN(CC[C@@H](c2ccc(OC)cc2)C(C)C)C(C)=O)cc1 1829718 GGCSKBVNBXDYMM-HSZRJFAPSA-N 369.505 4.882 0 40 FJAB biogenic CCc1cc2c(=O)c(-c3ccc(OC(C)C)cc3)coc2cc1OC(C)=O 2099631 LPVOPZMNIAIRJY-UHFFFAOYSA-N 366.413 4.735 0 40 FJAB biogenic CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](CC)C2 2106101 CSXPCDCZVPMUDC-GFCCVEGCSA-N 361.463 4.675 0 40 FJAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 2125578 OLKAWLGGNUESOM-OAHLLOKOSA-N 350.414 4.786 0 40 FJAB biogenic CC(C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2318432 CXPNTCAKJZLVAI-UHFFFAOYSA-N 356.516 4.827 0 40 FJAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1C 2343498 KDPOQPUVFIVWQI-UHFFFAOYSA-N 370.543 4.783 0 40 FJAB CCN(CC)C(=O)N[C@H](c1ccc(C)c(F)c1)C(Cl)(Cl)Cl 3177714 KFSFOFIXRZZDMD-GFCCVEGCSA-N 355.668 4.597 0 40 FJAB Cc1ccc(NC(=O)CNc2ccc3ccccc3c2)c(Br)c1 3280844 RMEXRKNVQSZBML-UHFFFAOYSA-N 369.262 4.961 0 40 FJAB Cc1ccc(NC(=O)[C@H](NCc2ccccn2)c2ccccc2)cc1Cl 3349884 OJPAKRKMVSUAAG-HXUWFJFHSA-N 365.864 4.513 0 40 FJAB Cc1cnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 3455922 AIOGZGLJSGCYPV-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 5091935 LOIOCQKUCGPGNZ-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB c1ccc(C2=NO[C@@]3(c4ccccc4)S[C@H]4CCCC[C@H]4CN23)cc1 5837299 HIYZCGIQTOFBHX-CUWPLCDZSA-N 350.487 4.797 0 40 FJAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 5901295 RIFLWZRPDKACMJ-UHFFFAOYSA-N 359.834 4.933 0 40 FJAB Clc1cccc(Cl)c1OCCN1CCCC[C@H]1c1cccnc1 6719091 ZIPQILNSEKKYGM-KRWDZBQOSA-N 351.277 4.994 0 40 FJAB biogenic CCOCc1c(C(=O)N[C@H]2CCSc3ccccc32)oc2ccccc12 6852799 MQJGSUXITGFHEY-KRWDZBQOSA-N 367.470 4.936 0 40 FJAB CCOc1ccccc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 7066099 WJSDSZAYYDICBV-INIZCTEOSA-N 361.850 4.550 0 40 FJAB CCOc1ccccc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl 7310726 OYMZVILQJSWTJM-ZHACJKMWSA-N 361.873 4.552 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCCC2)cc1 10313827 GXFMDOQTNYRHCV-UHFFFAOYSA-N 362.395 4.944 0 40 FJAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4o3)cc2)cc1 16216357 ZJQKCPXQDOPTIB-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccccc3Cl)ccc21 16746262 RAFFGWKXSCFLPX-GFCCVEGCSA-N 359.878 4.613 0 40 FJAB CC(C)c1nnc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1 16966014 RZVIJWKSGAWXBE-CSKARUKUSA-N 357.410 4.713 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 18941256 HSCOENMHIMMDAX-UHFFFAOYSA-N 355.463 5.000 0 40 FJAB O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(C1CCCCC1)CC2 19744840 ZPQCWFHJCVLLSB-UHFFFAOYSA-N 370.512 4.529 0 40 FJAB Cc1c(Cl)ccc2c(Nc3ccc(N(C)C)cc3)c(C(=O)O)cnc12 19793888 WGGLDFMZAQKPKT-UHFFFAOYSA-N 355.825 4.704 0 40 FJAB C[C@@H]1CC(=O)c2c(Nc3ccccc3)nn(-c3nc4ccccc4s3)c2C1 19817219 ACOUXNKANMPAER-ZDUSSCGKSA-N 374.469 4.991 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)NCCC3=CCCCC3)cs2)cc1 21003091 DXZPEGSRQPRLAR-UHFFFAOYSA-N 370.518 4.580 0 40 FJAB O=C(Nc1nncs1)c1ccccc1Nc1cccc(C(F)(F)F)c1 21214174 OADPLIYMIIDZGM-UHFFFAOYSA-N 364.352 4.553 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1 21596413 XYELBVYGAPUGFN-UHFFFAOYSA-N 353.274 4.683 0 40 FJAB COc1cc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCc1c(C)noc1C 22773491 YHMSQQLGCFGBKM-QEEYODRMSA-N 372.509 4.793 0 40 FJAB Cc1noc(C)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 22885438 MKFYNKSMROBGCM-UHFFFAOYSA-N 368.245 4.974 0 40 FJAB COc1cc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1 23308670 QCKVASNOIFEOQA-UHFFFAOYSA-N 371.433 4.501 0 40 FJAB CN(C)C(=O)c1cccc(NC(=O)c2ccc(C3CCCCC3)cc2)c1 23874038 FTHCIIWRPQZEAO-UHFFFAOYSA-N 350.462 4.688 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1 24589951 NIWODUBBJFPYBR-UHFFFAOYSA-N 372.424 4.643 0 40 FJAB COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 24715986 ZANBINYQLPJHJL-IFXJQAMLSA-N 358.869 4.513 0 40 FJAB COc1ccccc1[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1C 25328745 PTUZTSXESUMRQZ-CABCVRRESA-N 361.869 4.644 0 40 FJAB COCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1 25336193 LZBZECCZVALNCJ-UHFFFAOYSA-N 367.424 4.534 0 40 FJAB CC(C)[C@H](CNC(=O)c1ccccc1OCc1ccncc1)c1ccccc1 27634855 XQHQHCRSTIKPEY-QFIPXVFZSA-N 374.484 4.830 0 40 FJAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 29076955 BUOJWBPURBWRIK-UHFFFAOYSA-N 361.376 4.898 0 40 FJAB Cc1[nH]c(SCc2noc(-c3ccsc3)n2)nc1Cc1ccccc1 30005828 AFQZKLWABZUTDT-UHFFFAOYSA-N 368.487 4.713 0 40 FJAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1ccc2[nH]ccc2c1 32105618 CIXDLDXHYSBSTD-UHFFFAOYSA-N 351.406 4.612 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1OCc1cccnc1 32833906 MFCBKSXVRQKNPD-UHFFFAOYSA-N 362.429 4.538 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)n1 32931990 GIKJRQQBPLBEQG-UHFFFAOYSA-N 362.820 4.839 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1cccs1 36392642 AWNKZJWVBDRWAF-SECBINFHSA-N 364.829 4.995 0 40 FJAB CC[C@@H](C)Cc1c(C)sc2nc(SCc3ccncc3)[nH]c(=O)c12 46849718 KZVGVBFDGYAHCK-LLVKDONJSA-N 359.520 4.569 0 40 FJAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N(C)C3CCCCC3)cc2)no1 57994937 HZAXLIYTUTTYDQ-NRFANRHFSA-N 367.493 4.729 0 40 FJAB O=C(c1cccnc1Nc1cccc(F)c1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924681 VPTWMDQRZNGMBZ-JOUKPKRSSA-N 365.452 4.615 0 40 FJAB O=C(Nc1ccccc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323980 AHACBXSPAOKYFU-UHFFFAOYSA-N 374.444 4.512 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)N(C[C@H](O)c1ccccc1)C1CC1 72289143 IYOULZKQLVPHAK-KRWDZBQOSA-N 365.260 4.723 0 40 FJAB O=C(CC1CCCC1)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 72375302 YKMDOCGCQDUZBU-GOSISDBHSA-N 368.456 4.603 0 40 FJAB CCC1CCC(N(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C2CC2)CC1 78282056 HQNVFQONFGJJPB-AVAKVYKDSA-N 368.521 4.537 0 40 FJAB COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1F 78875817 AVGRYIVZMBEBQU-CHWSQXEVSA-N 368.235 4.561 0 40 FJAB Cc1ccc2c(-c3cc4c(CN5CCCC5)cnc(C)c4o3)cc(=O)oc2c1 95477640 WXHPAMWSHFVEFI-UHFFFAOYSA-N 374.440 4.814 0 40 FJAB Cc1ccnc(-c2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)c1 111664984 AIUPGQQXQSKJBB-UHFFFAOYSA-N 353.834 4.675 0 40 FJAB COC1(OC)CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@@]4(O)[C@@H]3CC[C@@]2(C)C1 118915014 FALJCKNYMNNQLF-SQNFNTIFSA-N 350.543 4.913 0 40 FJAB C[C@]12CC[C@H]3[C@@H](C=C[C@@]45C[C@@H](O)CC[C@]34C5)[C@@H]1CC[C@@H]2O[C@@H]1CCCCO1 118936527 YUSLPTILBDKHTK-KWHRADDSSA-N 372.549 4.832 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)n1 148117783 IYMGWULFSMVZQK-UHFFFAOYSA-N 353.853 4.762 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1 218931128 DGVZITDZENSXGF-UHFFFAOYSA-N 359.897 4.765 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2ccc(F)cc2)nc1 222613549 BEPXEWZOAINFOX-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c(C)c1 223490913 RAHTXPIZCJHJBP-ROUUACIJSA-N 351.490 4.827 0 40 FJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1C 224256071 MLYYNAWKHPAEFU-RBUKOAKNSA-N 365.527 4.937 0 40 FJAB COc1ccc(Cl)cc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225121254 JJAYWRAYWJTLJS-LJQANCHMSA-N 356.805 4.577 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)c(C)c1 225484885 KJHWXDJFJPDSGH-GOSISDBHSA-N 370.518 4.918 0 40 FJAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)cc1C 225506094 FAIXNRLBJIGOLL-OAQYLSRUSA-N 351.490 4.829 0 40 FJAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1C 225752972 NDGRVSJSLQBYMJ-MRXNPFEDSA-N 369.461 4.619 0 40 FJAB CCn1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc21 260778226 RLIJBQICBSXDDA-JSNMRZPZSA-N 362.502 4.646 0 40 FJAB CCOc1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1 409009174 YMMFIZSNYFUDGL-YBEGLDIGSA-N 362.212 4.737 0 40 FJAB O=C(NCc1cocn1)Nc1ccc(Cl)cc1-c1ccccc1Cl 683948513 LUCCBOFXCCPCES-UHFFFAOYSA-N 362.216 4.970 0 40 FJAB CC1=Nc2ccccc2OCCOCCOc2ccccc2N=C(C)C1 1559625649 AXMDYDPFLMFTDD-UHFFFAOYSA-N 352.434 4.750 0 40 FJAB CSCc1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn12 1776111047 PSWGKRIVJLFZFM-HWKANZROSA-N 357.291 4.526 0 40 FJAB CC1=CC(C)(C)N(C(=O)CSc2nc(C)cc(C)n2)c2ccc(C)cc21 921877 CIXRYGAZZGQAOP-UHFFFAOYSA-N 367.518 4.723 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)NCCc1ccccc1 1340003 HNCJCCAEZLMMJN-UHFFFAOYSA-N 364.514 4.557 0 40 FJAB COc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCCCC4)c1 2436433 WRIUWWAZSJJEMS-UHFFFAOYSA-N 364.441 4.958 0 40 FJAB biogenic O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 3325326 UEBAOMPZOROXKZ-UHFFFAOYSA-N 368.791 4.972 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCCC3)cc12 4144027 FXLOSLWGRXYIGX-UHFFFAOYSA-N 357.454 4.551 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 4660057 SMTJWBDNLGBSCJ-UHFFFAOYSA-N 366.442 4.651 0 40 FJAB COc1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)O)s2)cc1 5023164 PVRNFEVUVIIBPJ-UHFFFAOYSA-N 368.458 4.806 0 40 FJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc2ccccc2c1 5365877 IVUAKWOEFHQEFB-UHFFFAOYSA-N 365.454 4.732 0 40 FJAB CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 5524519 YUEZPCVRWFKBCS-UHFFFAOYSA-N 373.865 4.761 0 40 FJAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc2ccccc2c1 6296173 AAUHCHBTXWONCI-UHFFFAOYSA-N 350.443 4.529 0 40 FJAB Cc1ccc(NC(=O)[C@H](Sc2nccn2C)c2ccccc2)cc1Cl 6369217 MOHJCVKVAMFZRU-QGZVFWFLSA-N 371.893 4.854 0 40 FJAB CCOc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 6965141 YOCPFFVKHPCDNX-MHWRWJLKSA-N 359.834 4.980 0 40 FJAB O=C(/C=C/c1ccco1)NCc1ccc(-c2ccc(Br)cc2)o1 8071582 MVNFHQCUNFGQJU-CSKARUKUSA-N 372.218 4.632 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccccc1SC[C@@H]1CCCO1 8273483 MVPCODPEYQPFSA-HNNXBMFYSA-N 361.894 4.541 0 40 FJAB Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)cc1C 8412704 BOWQEZRLBHDERJ-UHFFFAOYSA-N 356.466 4.625 0 40 FJAB O=C(COc1ccc(-c2ccccc2)cc1Br)NC1CCCC1 8566812 OUVWQGAMVWREPX-UHFFFAOYSA-N 374.278 4.554 0 40 FJAB CC(=O)N1CCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C1 9034996 VNSFEGJJLFZQPA-UHFFFAOYSA-N 370.452 4.511 0 40 FJAB O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccc(Cl)cc1 9225067 ARRGSAJZTZBUBU-UHFFFAOYSA-N 365.776 4.902 0 40 FJAB Clc1ccccc1-c1nnc(CNc2ccc(Br)cc2)o1 9322850 UHJWTXPRIIJBRG-UHFFFAOYSA-N 364.630 4.765 0 40 FJAB c1ccc(-n2c(Cc3cccs3)nnc2SCc2ccccn2)cc1 11129312 WAMHUZNMFUPYFE-UHFFFAOYSA-N 364.499 4.607 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1ccc(CSC)cc1)O[C@H](C)C2 12997620 AGWMLXDWSBZRBR-CYBMUJFWSA-N 357.475 4.524 0 40 FJAB CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccccc2)c1=S 13071329 OTXDKCAUEFFJJC-UHFFFAOYSA-N 372.925 4.844 0 40 FJAB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccccc2)c1 13786606 RJILTQNSGIDAAU-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c(Cl)c1 20139434 TUIQVQZVYVBAGN-UHFFFAOYSA-N 355.821 4.961 0 40 FJAB Cc1cc(C(=O)Nc2ccc(F)cc2C)c2c(C)nn(-c3ccccc3)c2n1 20578954 JMZZYYJVRJBEIZ-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB OC1=Nc2n[nH]cc2[C@H](c2ccccc2OCc2ccccc2Cl)C1 20734283 DIJKDLQBIOCMKE-AWEZNQCLSA-N 353.809 4.766 0 40 FJAB COc1ccc(Cl)cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 23058403 NXTRNUIJJKGELU-UHFFFAOYSA-N 370.836 4.510 0 40 FJAB Cc1ccc(C2=Nc3ccccc3S[C@H]2NC(=O)c2ccccc2)cc1 27016008 NKXCPZSHRJMXQL-JOCHJYFZSA-N 358.466 4.978 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 27992324 YVDMOVBLVYHSLB-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@H]4[C@@H]3CC[C@]21CC 43781601 KIQQMECNKUGGKA-WRJVCVNWSA-N 369.505 4.715 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(C)cc1C 44856712 YAYLFGMUFSMCAE-JOCHJYFZSA-N 350.506 4.780 0 40 FJAB O=C(NCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 48817133 JBUMKWHKNQMVIW-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB C[C@H](OC(=O)c1cn(C)c2ccccc12)c1nc2ccccc2n1C(F)F 58392045 OKLQLDWODNYZTE-LBPRGKRZSA-N 369.371 4.841 0 40 FJAB C[C@H](c1ccco1)N(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C1CC1 60301045 YVDPELMCABEXSX-JLZZUVOBSA-N 374.278 4.898 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3C)o2)cc1 63887533 FCXJSPJSBLFDES-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB C[C@H]1CN(C(=O)Nc2cccc(C3SCCCS3)c2)CC(C)(C)O1 65451805 HMSTZQHZKMXSKN-ZDUSSCGKSA-N 366.552 4.587 0 40 FJAB COc1ccc2cc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)c(C)nc2c1 65552851 KKBSNZYUGPKXMV-SCLBCKFNSA-N 364.445 4.540 0 40 FJAB CC(C)(C)Nc1c(-c2ccccc2OCc2ccccn2)nc2cnccn12 72342008 KMMLWAZBUHTJIR-UHFFFAOYSA-N 373.460 4.581 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)c(Cl)n1 89626797 WZRSDZWFUPMPEI-UHFFFAOYSA-N 358.850 4.511 0 40 FJAB COC1(OC)[C@]2(Cl)C=C(c3ccccc3)[C@]1(Cl)C(Cl)=C2Cl 100285643 ZJISSEZHGZUVDT-KBPBESRZSA-N 366.071 4.731 0 40 FJAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1)N(O)c1ccccc1 100915446 YAMYXDXWQAYIBN-YADHBBJMSA-N 371.440 4.662 0 40 FJAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)C1 101512605 IMYHTICGAHSCKP-QKMWGZLOSA-N 360.885 4.848 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)OCCO1 118931422 SXJDNUFKBLXQHF-ILMCUKGCSA-N 362.554 4.769 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219313931 HTIUVXHQPBAHDV-RBUKOAKNSA-N 367.489 4.879 0 40 FJAB O=C(CCc1ccccc1Cl)NCCSCc1ccccc1Cl 220011456 FPUHKISUXYNBCC-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1cc(C)cc(C)c1 224528992 QKBNGWLVKWIXCB-KRWDZBQOSA-N 355.478 4.809 0 40 FJAB COc1cccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225262366 WECPRZCRFNWVKO-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB CC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCC1 225597490 ZMTRFHDTZHTJJY-UHFFFAOYSA-N 358.526 4.850 0 40 FJAB O=C(NCC[C@H](O)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1 225613960 SPBMXCXVAOOWJY-HNNXBMFYSA-N 372.774 4.604 0 40 FJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C(C)C)c(OC)cc1C 225667763 IKMDRRAUTTVYAT-OAQYLSRUSA-N 367.489 4.943 0 40 FJAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2cccnc12 225890561 CLFOQVKGBKGXIY-ZHRRBRCNSA-N 370.493 4.948 0 40 FJAB CCCOc1ccccc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 408603075 PZCNONXQJGOZFX-XDJHFCHBSA-N 367.470 4.754 0 40 FJAB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)c2ccccc21 409112270 CCMWIFDZKRBIFE-GDNBJRDFSA-N 357.837 4.654 0 40 FJAB Cc1ccc(/C=C/C(=O)NCCSCc2c(F)cccc2Cl)cc1 409407431 FUEOQWTUVBGEML-MDZDMXLPSA-N 363.885 4.850 0 40 FJAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)c1ccccc1F 1329555 MLWCRBLLMRTVKJ-UHFFFAOYSA-N 363.417 4.739 0 40 FJAB O=C(c1ccc(Br)cc1)[C@H](Cc1ccccc1)N1CCCCC1 2655113 JIWYMIYHPRPHAB-IBGZPJMESA-N 372.306 4.729 0 40 FJAB COCCCNc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2726128 GHNSHUMTRJYHJU-UHFFFAOYSA-N 373.909 4.949 0 40 FJAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 3184346 NOZJLZNYIHATEN-UHFFFAOYSA-N 373.477 4.908 0 40 FJAB CC(C)(C)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3322538 LVWKRRYFZJEVDV-UHFFFAOYSA-N 351.471 4.846 0 40 FJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)cc1)CSC2 4175926 LJCQHUULWHBVSV-UHFFFAOYSA-N 369.877 4.833 0 40 FJAB Brc1ccc(Br)c(-c2nc3ccccc3[nH]2)c1 5387693 UCQNLQZEYXEHCX-UHFFFAOYSA-N 352.029 4.755 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1NC(=S)Nc1ccc(F)cc1 5589757 PRCBIMYTHBGUBX-UHFFFAOYSA-N 365.433 4.887 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1 6306975 FGBFZGLKBKGRMH-CQSZACIVSA-N 358.869 4.612 0 40 FJAB CCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)nc2OC)no1 6554732 LBGZJJFIRZUPBL-UHFFFAOYSA-N 373.412 4.873 0 40 FJAB O=C(NCCCN1CCCCC1)c1ccc(CSc2ccccc2)cc1 10276959 SEAZREMZEQNFNI-UHFFFAOYSA-N 368.546 4.585 0 40 FJAB Cc1cccc(NC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 12654075 NKLUGWNOZFBHNS-UHFFFAOYSA-N 364.449 4.878 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2ccc3oc(C)nc3c2)cc1Cl 12796531 FSPRLDGEMKBVBG-UHFFFAOYSA-N 351.189 4.704 0 40 FJAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1c(Cl)cccc1Cl 12858547 VGXPIMOCRIYSJL-CYBMUJFWSA-N 374.314 4.509 0 40 FJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccccc3C)ccc2c1 12992656 OMWCBVVMQGPNTL-QGZVFWFLSA-N 362.473 4.616 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 12994032 ZOHDOZJOVDSVED-UHFFFAOYSA-N 367.405 4.960 0 40 FJAB Cc1cc2nc(COc3ccc(C(C)(C)c4ccccc4)cc3)cc(=O)n2o1 13367459 MRUDEIISVKHRSM-UHFFFAOYSA-N 374.440 4.501 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14739528 LMVPTAZPKSJDOQ-HNNXBMFYSA-N 370.880 4.763 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc12 16058418 UONCVBOKQGYYDV-LBPRGKRZSA-N 359.470 4.692 0 40 FJAB C[C@H]1CCCC[C@@H]1NCc1cn(Cc2ccccc2)nc1-c1cccnc1 17311194 NCDNQCQLJMZYPG-AVRDEDQJSA-N 360.505 4.662 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)c(Cl)c1 20488500 CDHRJANURSWBNM-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c(F)c1 22745751 QZADHPCHSHLBGR-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB COc1ccc(CNC(=S)Nc2cccc(-c3csc(C)n3)c2)cc1 23103099 ILYJXJWLEARXDT-UHFFFAOYSA-N 369.515 4.614 0 40 FJAB c1ccc(-c2cc(NC[C@H]3CCCO3)n3ncc(-c4ccccc4)c3n2)cc1 27586029 XXRYVAFBXUPSBB-LJQANCHMSA-N 370.456 4.654 0 40 FJAB CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 29542517 PVYXCWAFDLBURE-UHFFFAOYSA-N 352.409 4.924 0 40 FJAB CC[C@H](C)[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 32883706 FCVMTURORSSXGX-AOMKIAJQSA-N 364.489 4.890 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 44900084 CKRVQGVVJQJZHT-GOSISDBHSA-N 369.505 4.725 0 40 FJAB C[C@@H](c1cccs1)N(C)Cn1ncn([C@@H](C)c2ccccc2)c1=S 54447500 FTNDAGQIEVLRBK-GJZGRUSLSA-N 358.536 4.735 0 40 FJAB CN(C)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 65576387 PQMSNYUCEBCWNG-UHFFFAOYSA-N 357.413 4.813 0 40 FJAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72213383 WYOYIVZDLPJNDS-APWZRJJASA-N 353.466 4.766 0 40 FJAB Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1COc2ccccc21 89517378 OYTOMXNSICLWAG-KBXCAEBGSA-N 350.487 4.827 0 40 FJAB O=C(NCC[C@H](O)c1cc2ccccc2o1)C1(c2cccs2)CCCC1 96097250 VZJCDVUVEOBZJA-INIZCTEOSA-N 369.486 4.546 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 216313792 GWDJHOOZBDWYTE-CQSZACIVSA-N 362.267 4.780 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)s1 223081321 XDXXYBWMNJVHMP-MSOLQXFVSA-N 357.548 4.757 0 40 FJAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 225310415 KZGDYLCTZMJHFT-QGZVFWFLSA-N 361.869 4.557 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 225494472 NSMKHXOVYLGMGB-LJQANCHMSA-N 370.518 4.937 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225577984 ZMBAHYAWXZDGQI-UHFFFAOYSA-N 373.880 4.734 0 40 FJAB Cc1cccc(CSCCCNC(=S)Nc2c(F)cccc2F)c1 225604036 DJGXRSBGBPUQRR-UHFFFAOYSA-N 366.502 4.883 0 40 FJAB COc1cccc(NC(=O)N[C@@H](c2ccsc2)c2cccs2)c1OC 390827484 YMKMLADLNYZAHB-INIZCTEOSA-N 374.487 4.738 0 40 FJAB CCc1ccc(-c2nc(Nc3ccc(OC)cc3)sc2CC(=O)O)cc1 408890972 JHVFIELBSLGGID-UHFFFAOYSA-N 368.458 4.752 0 40 FJAB Cc1c(Cl)c(CN2CCN(CC3CCCCC3)CC2)nc2ccccc12 1615055686 LHFJXLPILYEJCO-UHFFFAOYSA-N 371.956 4.895 0 40 FJAB CC(C)C[C@@H]1OCCC[C@@H]1Nc1ncnc2c(-c3ccccc3)nsc12 1639820156 FPCQMZKLUQQSQY-HOTGVXAUSA-N 368.506 4.759 0 40 FJAB Cc1ccc(CN2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)nc1 2037989064 TUOJBUBZYJFMIX-JOCHJYFZSA-N 353.485 4.553 0 40 FJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Nc1cccc(Cl)c1 2337033 KBLZIAWJCFTPMS-UHFFFAOYSA-N 357.797 4.642 0 40 FJAB COC(=O)CSCCc1nc(-c2sc3ccccc3c2C)cs1 2383514 FXHOVKOOYGNZLR-UHFFFAOYSA-N 363.529 4.782 0 40 FJAB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1Cc1ccc(Cl)cc1 4419324 APIVWARTQGASRH-UHFFFAOYSA-N 356.208 4.943 0 40 FJAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 4710957 UUTUTWUEUPULPQ-UHFFFAOYSA-N 373.412 4.931 0 40 FJAB O=C(NCCc1nc2ccccc2n1CCC1CCCCC1)c1ccco1 5235807 MOWSMIGBTIMJKT-UHFFFAOYSA-N 365.477 4.572 0 40 FJAB CCOc1ccc(-c2nc(S)c3c(n2)Oc2c(cccc2OC)C3)cc1 6000021 FZAVTOVVPZRBQA-UHFFFAOYSA-N 366.442 4.536 0 40 FJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(F)cc1 7654843 RXOIUNFRDCDSGL-UHFFFAOYSA-N 366.772 4.873 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1OCc1nc(-c2ccccc2)no1 7896171 PAGFDYHKTPZEHF-UHFFFAOYSA-N 371.396 4.568 0 40 FJAB COc1ccc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 7922895 ADWYKCMNVDLAIV-IBGZPJMESA-N 365.395 4.770 0 40 FJAB Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc23)cc1 9528938 KMWNVSDRCAQSLU-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB O=c1cc(CSCc2cccc3ccccc23)nc2ccc(Cl)cn12 9882229 ZOOYFHLDEMBPTJ-UHFFFAOYSA-N 366.873 4.935 0 40 FJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCc2[nH]c3ccccc3c2C1 9901819 TZWXITCVWXKSTH-SOFGYWHQSA-N 354.812 4.559 0 40 FJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(Cl)c1)N(C)C3=O 10233092 HMCWMNMDUJRKKP-INIZCTEOSA-N 374.223 4.583 0 40 FJAB Cc1ccc(-c2csc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)n2)cc1 12617440 RMBGWWVZCJUZRI-QGZVFWFLSA-N 370.861 4.714 0 40 FJAB Cc1cc(C)c(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c(Cl)c1 12779699 JDCUYGFEDONLDR-ZDUSSCGKSA-N 371.864 4.973 0 40 FJAB CC(C)C[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccccc1 12971753 RACBCXGKFLBCHZ-LJQANCHMSA-N 350.466 4.529 0 40 FJAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1C 13618365 KMJKBDTWHPXOIM-UHFFFAOYSA-N 362.473 4.787 0 40 FJAB CCOc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 14258400 QXQYDWYAYIEZNL-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 15010488 GDUBEXADVWUMFF-BOPFTXTBSA-N 373.861 4.975 0 40 FJAB CSc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 15582928 GGKPUJHAUSQGPW-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17075449 OBWXFODKMAXEFK-QABNGEJJSA-N 367.470 4.523 0 40 FJAB CC[C@H](CNc1ccccc1OC[C@@H]1CCCO1)Oc1ccccc1C 19737590 PINYTAIFLQJEFY-MOPGFXCFSA-N 355.478 4.822 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1C 20025608 SSLCNPRLAVOCMP-UHFFFAOYSA-N 369.442 4.647 0 40 FJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)cc1 21122565 GLWUHHLBSPBFEN-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C 21141716 APTALPGDASTIGP-UHFFFAOYSA-N 371.440 4.864 0 40 FJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1F 23055412 YOMARPVBUVCNRQ-UHFFFAOYSA-N 373.815 4.582 0 40 FJAB CN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CCc2ccccc21 29489474 XYORXVBUWPVYDL-QGZVFWFLSA-N 373.378 4.875 0 40 FJAB CCc1nc(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cs1 31750823 YUUZVRPBDCLUDA-UHFFFAOYSA-N 367.499 4.501 0 40 FJAB COc1ccccc1-c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)no1 40087683 JGAAPUZRDYDAFW-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)oc2c1C(=O)CCC2 40128686 OGAAYIMXAQJBNI-UHFFFAOYSA-N 359.425 4.626 0 40 FJAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1cccc2ccccc12 45890543 FAVSVQUFVPCUME-UHFFFAOYSA-N 363.486 4.618 0 40 FJAB Cc1csc(N2CCC(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)CC2)n1 58029658 UAYSUPWOIBYTJU-INIZCTEOSA-N 371.550 4.669 0 40 FJAB COc1ccc(C(=O)N2CCCc3cccc(Cl)c32)cc1OC(F)F 58282572 MLIWBRBUBNBAJI-UHFFFAOYSA-N 367.779 4.543 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H]1c1ccc(O)cc1 58393445 NMXUYEGNAOMUPM-HXUWFJFHSA-N 367.880 4.877 0 40 FJAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(Cl)ccc2c1Cl 72329765 XDKAVPDIPDPWMS-UHFFFAOYSA-N 374.195 4.653 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348634 UMMDSFUQMNBOKO-FQEVSTJZSA-N 374.459 4.831 0 40 FJAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@H](c2cccc(O)c2)SC1 95474263 QNTWSKJAPLGZQB-KRWDZBQOSA-N 371.849 4.656 0 40 FJAB COC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)cc1F 96008710 KKNBNWQWYLWVHK-IAGOWNOFSA-N 370.424 4.870 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 216280913 RDICPRPOPJFPCR-KRWDZBQOSA-N 359.897 4.782 0 40 FJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1Cl 223241810 JHFDWQGUGSSSSF-QGZVFWFLSA-N 361.869 4.937 0 40 FJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 224323303 VWPAVYHKIHELRU-UXHICEINSA-N 363.486 4.723 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224590393 FIADILINOBDTRP-UHFFFAOYSA-N 350.506 4.510 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3C)o2)c1 224844396 IJCAQEHLZAPRKF-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2)cc1 225308464 MOHUTLVCPXNBTM-UHFFFAOYSA-N 359.897 4.809 0 40 FJAB Cc1cccc(NC(=O)c2snnc2-c2ccc(Br)cc2)c1 225782916 KMLKJKXKSQHFIA-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB COc1ccc(CNC(=S)c2cccc(OCc3ccccc3)c2)cc1 408574488 RELAXNPRPKKXRD-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB O=C1CC[C@@]2(CCCN(CC3CCCCC3)CC2)N1Cc1ccc(F)cc1 585100812 XQAMRYKFBMSMCA-HSZRJFAPSA-N 372.528 4.753 0 40 FJAB Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2cc3c(C)nn(C)c3s2)cc1 1269820713 VHVBVXIQUHMECT-RDJZCZTQSA-N 354.475 4.745 0 40 FJAB S=C1N(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N2CCCN12 635371 HATQUCVDTHIZFZ-MRXNPFEDSA-N 364.301 4.720 0 40 FJAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCC2 1088114 FLPOEJVHKZFPAT-HZPDHXFCSA-N 369.486 4.546 0 40 FJAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 1447694 CLXARJFIOBTLGD-QGZVFWFLSA-N 372.472 4.843 0 40 FJAB CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 1622801 OPHFWKOHMVOISO-SFHVURJKSA-N 368.502 4.814 0 40 FJAB Cc1nc(SCC(=O)Nc2ccccc2C)c2oc3ccccc3c2n1 2437078 IGBLIARVVBEKQI-UHFFFAOYSA-N 363.442 4.724 0 40 FJAB Cc1cc(C)c(NC(=O)COC(=O)c2csc3c2CC[C@@H](C)C3)c(C)c1 2636490 XQMPBMPNVHUDRV-GFCCVEGCSA-N 371.502 4.594 0 40 FJAB c1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)cc1 3317212 ZSYITVSRMTWVSZ-GOSISDBHSA-N 351.475 4.596 0 40 FJAB Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3324966 RSMCVMTUHBBXMF-CYBMUJFWSA-N 365.351 4.506 0 40 FJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cccs3)ccc21 3362212 XMMTUZUENRRFHK-UHFFFAOYSA-N 356.472 4.677 0 40 FJAB COc1ccc(-c2nnc(S)n2-c2ccc(Cl)c(Cl)c2)cc1 3885788 JHEAMGYVAVJLSD-UHFFFAOYSA-N 352.246 4.538 0 40 FJAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](CCC)C2 4144748 OGRDPAHAUWELFK-ZIAGYGMSSA-N 364.555 4.907 0 40 FJAB COc1ccc2c(c1)CC[C@H](C)N2C(=O)c1cc(F)c(F)cc1Cl 4727575 SZHQSKJFMPTKNX-JTQLQIEISA-N 351.780 4.608 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)OCCOc1ccc(Cl)cc1 5537087 SIMRCTAMDIQESI-UHFFFAOYSA-N 357.793 4.539 0 40 FJAB COc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3ccccc3)C2)cc1 5603566 GYMCXCBQKXCICX-QFIPXVFZSA-N 374.415 4.826 0 40 FJAB O=C(COc1ccc2ccccc2c1)N1CCC(Cc2ccccc2)CC1 5682454 MJKWMQAGOJIOMV-UHFFFAOYSA-N 359.469 4.700 0 40 FJAB CCc1cccc(C(C)C)c1NC(=O)C[C@H]1Sc2ccccc2NC1=O 5892176 OPHFWKOHMVOISO-GOSISDBHSA-N 368.502 4.814 0 40 FJAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NCc1ccc(Cl)cc1 6935139 YLPRUSCGSVIIKX-UHFFFAOYSA-N 371.717 4.881 0 40 FJAB Cc1cccc2sc(NC(=O)c3cc(Br)ccc3F)nc12 7725198 VNTXYLZSKHNGEV-UHFFFAOYSA-N 365.227 4.759 0 40 FJAB CC(C)[C@@H]1C[C@@](CCNCc2ccccn2)(Cc2ccccc2)CCO1 8993025 BZGWPDMFUVTYRS-XZOQPEGZSA-N 352.522 4.625 0 40 FJAB Cc1cccc(-n2ncc3c(O)nc(SC/C=C/c4ccccc4)nc32)c1 9522364 HXHQARGSWRKKLR-UXBLZVDNSA-N 374.469 4.635 0 40 FJAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H]1c1nc2ccccc2s1 9582109 XJHNBOOBGAUBCU-OAHLLOKOSA-N 365.483 4.883 0 40 FJAB CC(C)(C)c1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 12777780 NHXXBIPSSSMGDK-UHFFFAOYSA-N 372.519 4.605 0 40 FJAB COc1ccc(OC)c(-c2ccc(SCc3ccccc3F)nn2)c1 13375421 CFWOWWKXDGPIMD-UHFFFAOYSA-N 356.422 4.592 0 40 FJAB O=C(C=Cc1ccc(C=CC(=O)Nc2ccccc2)cc1)Nc1ccccc1 13402602 KHRMJDYXCLYDOY-UHFFFAOYSA-N 368.436 4.990 0 40 FJAB biogenic Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN(C)C)cc1 16804915 UQIPCZJEOAPVJV-DQRAZIAOSA-N 351.519 4.709 0 40 FJAB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1 17822872 YERWPOICNAMBKS-RCCKNPSSSA-N 368.436 4.943 0 40 FJAB CC(C)N1CCC(CN(C)Cc2c(C3CCCC3)[nH]c3ncccc23)CC1 19447806 UZSWQFFVNFSTGR-UHFFFAOYSA-N 368.569 4.773 0 40 FJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cn1 19524926 SZJGTOQIJJXEJG-HXUWFJFHSA-N 368.456 4.814 0 40 FJAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Cl)cc1 20138247 HPFNRGCQBJHBPX-UHFFFAOYSA-N 362.212 4.998 0 40 FJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 20411398 VLRCIWIFHBMGGT-UHFFFAOYSA-N 372.421 4.645 0 40 FJAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccc(F)cc1 21606200 OUMJCFZGWDMJKW-NSHDSACASA-N 374.466 4.540 0 40 FJAB CCCCC[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 25346064 VCAKRJOTIVKXDS-NQIIRXRSSA-N 366.505 4.633 0 40 FJAB CCCCOc1ccc(C2=N/C(=C\c3c(C)[nH]c4ccccc34)C(=O)O2)cc1 25747743 LJTCSBHCXABSTI-STZFKDTASA-N 374.440 5.000 0 40 FJAB Cc1ccc(-c2nc(CC(=O)Nc3nc(C(C)(C)C)cs3)cs2)o1 31878091 METWBLLCUMMUCL-UHFFFAOYSA-N 361.492 4.647 0 40 FJAB Cn1ccnc1-c1sc(NC(=O)c2cccs2)nc1-c1ccccc1 32894188 OHPPTHKCDSMTHX-UHFFFAOYSA-N 366.471 4.524 0 40 FJAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccc(F)cc1 33012721 JEMXWDAXILGZKE-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB Fc1ccc(CNc2ccc(Br)cc2Br)cc1 35040428 CXQBCZWLEGQYFK-UHFFFAOYSA-N 359.036 4.963 0 40 FJAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1cccc(Cl)c1 40030640 UWKMCCRHSLAFBQ-UHFFFAOYSA-N 365.930 4.777 0 40 FJAB COc1cccc(NC2=NC(=O)S/C2=C\c2cccc3cccnc23)c1 72401308 IFAAEOPABVVWOL-BOPFTXTBSA-N 361.426 4.962 0 40 FJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nccs1 72402920 DNTQOESOPSEHEG-GFCCVEGCSA-N 371.289 4.600 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)c3cnc4onc(C)c4c3)cn2)cc1C 84180790 UTYVNJUWLUGWRW-UHFFFAOYSA-N 374.400 4.588 0 40 FJAB Fc1cccc(Cl)c1[C@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 100977848 GMGBRDSJJKPBIJ-OAHLLOKOSA-N 361.207 4.780 0 40 FJAB C[C@H](N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 103251690 GNGMYUPULPXERU-CAUQANCSSA-N 366.480 4.920 0 40 FJAB O=C(CCCOc1ccc(F)cc1)Nc1ccccc1-c1ccncc1 110396928 YQDXBVHAKYFMGZ-UHFFFAOYSA-N 350.393 4.685 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc3cccc(OC)c3o2)cc1 216396212 YDOAIGTZOKIYLN-GOSISDBHSA-N 367.445 4.967 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 219534157 MZABDYMDKMWRJQ-HKUYNNGSSA-N 367.489 4.798 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 224414196 ZZEFKFGKNNPJRB-INIZCTEOSA-N 369.461 4.701 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(COC)c1 225186380 BZJAAJZOMDPIRS-OAQYLSRUSA-N 353.462 4.508 0 40 FJAB O=C(O)Cc1sc(=Nc2cccc3ccccc23)[nH]c1-c1cccs1 408891070 KVGSKLPQJCONGU-UHFFFAOYSA-N 366.467 4.817 0 40 FJAB O=C(CCCn1cccc1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 524735660 QIBQBVBWULHVNE-KRWDZBQOSA-N 355.869 4.597 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC2(CC1)CC2(F)F 650599956 KVOXXVUOYFNYIE-UHFFFAOYSA-N 366.795 4.565 0 40 FJAB COC(=O)c1cc2c(cc1O)[C@@H]1O[C@H](c3ccccc3)CC[C@H]1C(C)(C)O2 1615121984 TUBAPRYJUZPQNQ-KPFFTGBYSA-N 368.429 4.559 0 40 FJAB Oc1ccc(-c2nnc(SCc3ccccc3)n2Cc2ccco2)cc1 915716 UMVSZASAHLXPLG-UHFFFAOYSA-N 363.442 4.584 0 40 FJAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1 949574 DAXNDRXPLLVNAO-UHFFFAOYSA-N 371.234 4.836 0 40 FJAB Cc1cccc2c(C(=O)OCC(=O)C(C)(C)C)cc(-c3ccccc3)nc12 993156 LSEOJWUTVADNEA-UHFFFAOYSA-N 361.441 4.982 0 40 FJAB CC[C@@H](C)N1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@](C)(O)CC1(C)C 1276311 NSPNUFSFCCAZQP-DIFFPNOSSA-N 359.297 4.911 0 40 FJAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1C(C)C 1364264 UNQWPRHWPMDDJA-UHFFFAOYSA-N 366.918 4.504 0 40 FJAB CCCc1nc2oc3c(NCc4ccco4)ncnc3c2c2c1CCCC2 2227648 VYXZCWAQPFCPHY-UHFFFAOYSA-N 362.433 4.807 0 40 FJAB Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 3008139 VQENXNMFWXWSKP-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB O=C(CN1CCSc2ccccc21)Nc1ccccc1Cc1ccccc1 3323614 UYIMUJCOIGEJBK-UHFFFAOYSA-N 374.509 4.828 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 3433847 BRASNSFZXNYDLI-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB COc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1 3437111 VKLRGPIKIJJKNP-UHFFFAOYSA-N 355.444 4.647 0 40 FJAB O=C1N[C@H](c2ccc(-c3ccccc3F)o2)Nc2sc3c(c21)CCCC3 4523644 HIKMZXNBRYNUCO-SFHVURJKSA-N 368.433 4.880 0 40 FJAB Cc1ccccc1OCCSc1nc(C)c(Cc2ccccc2)c(O)n1 4626374 NQIJAPFDUPUNTQ-UHFFFAOYSA-N 366.486 4.561 0 40 FJAB Fc1ccccc1CN1CCC(Nc2ccc(Br)cc2)CC1 4749424 MNVWCKIFIDHMOJ-UHFFFAOYSA-N 363.274 4.665 0 40 FJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 6618342 NYCPSXCSIJSOOQ-OAQYLSRUSA-N 360.438 4.518 0 40 FJAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OC 6959107 YIMYBEKLLWPKCY-UHFFFAOYSA-N 354.219 4.608 0 40 FJAB O=C(N[C@@H]1CCOc2ccccc21)C1c2ccccc2Oc2ccccc21 7215008 OOFPQOUOMURKIT-GOSISDBHSA-N 357.409 4.564 0 40 FJAB Cc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)cc1 7603298 KYFMFLXDXLUKMJ-GDNBJRDFSA-N 371.849 4.651 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1nccnc1-c1nc2ccccc2s1 7918700 ISKAAOFTAZBIDC-UHFFFAOYSA-N 366.833 4.659 0 40 FJAB CCc1ccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 7929109 ZXGRVHBDPAVYLN-GOSISDBHSA-N 365.473 4.639 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N[C@H]1CCCc2ccccc21 8685018 VDKITUKOQQPEDK-HNNXBMFYSA-N 371.893 4.502 0 40 FJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1 9062857 KQQPCJCFGSSKMM-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)c1 9318538 NLLASRKEJOMNLT-HNNXBMFYSA-N 367.836 4.527 0 40 FJAB CCc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 12274584 NKOMKVJZNOIMMW-UHFFFAOYSA-N 370.246 4.940 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3ccc4nc(C)sc4c3)on2)cc1 12463266 IXIVSAGZXZSMHO-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1csc(-c2ccccc2)n1 12757312 LIYYTYCOJDICNW-UHFFFAOYSA-N 365.483 4.692 0 40 FJAB Cc1c(C(=O)NCCc2cccs2)oc2ccc(Br)cc12 12758121 QSCLDILWPHTWFV-UHFFFAOYSA-N 364.264 4.538 0 40 FJAB O=C(O)CCCCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl 12998808 OMQREXRUUYPLFZ-UHFFFAOYSA-N 374.289 4.973 0 40 FJAB CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 13758154 FVUXIDSFGAXCKB-UHFFFAOYSA-N 368.864 4.622 0 40 FJAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(NC(C)C)s3)o2)c1 14108829 WRHANPWMGBLVMG-NSHDSACASA-N 361.496 4.570 0 40 FJAB CCCOc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 15832079 YZQOWKFPLPKMBP-UHFFFAOYSA-N 364.445 4.636 0 40 FJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1ccc(C)cc1 16032477 MRYHAXJYGJIWLN-QPTUXGOLSA-N 365.517 4.872 0 40 FJAB biogenic Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CC=C(c2ccc(F)cc2)CC1 19581404 MSHAKHSQENXAFY-OAQYLSRUSA-N 368.427 4.577 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccccc1OC 20493595 LVDSJFQHBMREPU-FQEVSTJZSA-N 363.457 4.664 0 40 FJAB Cc1nc2c3ccccc3nc(SCc3cccc(C(F)(F)F)c3)n2n1 20643436 SAWRTKYJIGPXGD-UHFFFAOYSA-N 374.391 4.897 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 21889021 DKMNIIUFUNNDSZ-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB CCn1cc(C(=O)Nc2c(Cl)cccc2Cl)c(=O)c2ccccc21 22234395 BNEHJWMFXSCQNK-UHFFFAOYSA-N 361.228 4.581 0 40 FJAB COc1ccc2cc(CNC[C@@H](c3cccs3)N3CCCC3)ccc2c1 22932615 PPWZIXKJGYRBDU-NRFANRHFSA-N 366.530 4.837 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n2CC 24767388 LEALYQKJVGZANI-HNNXBMFYSA-N 371.531 4.930 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 27664320 DLNFLCBJANFPSC-UHFFFAOYSA-N 350.418 4.657 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2ccc(F)cc2s1 28839911 JHCKGVQUHJMYBF-UHFFFAOYSA-N 366.849 4.502 0 40 FJAB CCOCc1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)cc1 29282250 OSRRCXQVRJTVAV-UHFFFAOYSA-N 369.408 4.765 0 40 FJAB O=C(CCCc1cccs1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797439 OZDGQJDWPPISBQ-SFHVURJKSA-N 371.502 4.596 0 40 FJAB Cn1ccnc1[C@H](NCc1cccc(Cl)c1Cl)c1ccc(F)cc1 30644817 LYCVIXNFDDPWIE-QGZVFWFLSA-N 364.251 4.745 0 40 FJAB C[C@@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)n1cnc2ccccc21 31836205 UMWCYDBJLHZCBA-YWZLYKJASA-N 361.470 4.565 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1 32904459 JYSYODULMMVGQE-UHFFFAOYSA-N 354.812 4.890 0 40 FJAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 35586221 HCVMUEUUJBNNAQ-HNNXBMFYSA-N 358.397 4.901 0 40 FJAB CSc1ccc(CN(C)C(=O)Cc2cccc(C(F)(F)F)c2)cc1 40159574 JDRPMEDPJGAMPW-UHFFFAOYSA-N 353.409 4.628 0 40 FJAB C[C@@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)[C@@H]1C 40387700 UMHHCJGRDWHUNG-QINHECLXSA-N 372.472 4.708 0 40 FJAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 44933471 JNPGQXWQWDGEEP-KRWDZBQOSA-N 370.924 4.738 0 40 FJAB CC[C@@H](NC(=O)CSc1ncccc1Cl)c1ccc(Cl)cc1 45842079 WQVQQSHFXGNGID-CQSZACIVSA-N 355.290 4.748 0 40 FJAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1F 56103148 VQLWHRXNSRKDAS-ZIAGYGMSSA-N 369.362 4.627 0 40 FJAB Cc1nc(Cc2nnc(S[C@@H](C)c3ccc(F)c(F)c3)o2)cs1 58170884 WTZYBSMWYMBAGO-QMMMGPOBSA-N 353.419 4.557 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)cc1OC 61237010 GZBGPKWTCLVJOQ-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB COc1ccc(CNc2cc3ccccc3c(Cl)n2)c(OC)c1OC 71968422 XVIHHONBTXFGFV-UHFFFAOYSA-N 358.825 4.526 0 40 FJAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccc(Cl)cc1 79483912 ZNDZALUIYRONNO-UHFFFAOYSA-N 365.776 4.729 0 40 FJAB Clc1ccc(OC[C@H]2CCCO2)c(NCc2cnc(Cl)s2)c1 89768428 TYCNJOLHYOWCCW-LLVKDONJSA-N 359.278 4.620 0 40 FJAB COc1cc(C=O)c(Br)cc1OCc1cccc(Cl)c1 95094999 LTOFHUKYEVCOLG-UHFFFAOYSA-N 355.615 4.503 0 40 FJAB ClC(Cl)(Cl)Oc1c(Br)cccc1Br 95215717 RTJZDIQSEGXTHH-UHFFFAOYSA-N 369.267 4.918 0 40 FJAB Cc1cnc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)s1 102096361 DKCINRJFPNDVNQ-CPWXYTRJSA-N 369.328 4.514 0 40 FJAB Cc1noc2c1[C@H](c1cccnc1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102726774 WBSCCSKSHRJOCG-YWZLYKJASA-N 373.412 4.691 0 40 FJAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c(OC)c1 102735292 ZFFMHFCHVLEAAG-GOSISDBHSA-N 368.433 4.850 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 216234558 JATDLIUBGJSEBR-LBPRGKRZSA-N 352.261 4.640 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)ccc3OC)N21 222668450 DSCIPMSKNXJGGA-FSPWUOQZSA-N 373.909 4.723 0 40 FJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(Cl)cc1 222945599 ZKKUIFLTAJBMMC-MRXNPFEDSA-N 371.908 4.735 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)CC)o2)cc1 224915506 WJMIOZIFVADNEY-OAHLLOKOSA-N 364.445 4.936 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)CCc1c(Cl)cccc1Cl 225359819 OZYKYKBQSAWQTO-HNNXBMFYSA-N 371.352 4.697 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccccc1 225480905 YJNJXKZRBOIOFS-OAHLLOKOSA-N 362.882 4.564 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1c(F)cccc1F)CC(C)(C)O2 225674617 XDHFXXMKVZKWRN-HNNXBMFYSA-N 362.445 4.862 0 40 FJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225740954 CIMKGMACPVSCQX-IFXJQAMLSA-N 371.905 4.678 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1snnc1-c1ccc(F)cc1 225779731 QUPQRDJKLJPBDY-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 226335372 WIJAHPZWWVWMHF-MDZDMXLPSA-N 360.837 4.812 0 40 FJAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(CO)cc1OC2(C)C 257318938 VQAFYNXBJYOQQC-YOMUGFJLSA-N 368.473 4.785 0 40 FJAB O=C(Nc1ccc(Nc2nnc(-c3ccccc3)o2)cc1)c1ccccc1 408722657 VPDSDBGRLDVXSP-UHFFFAOYSA-N 356.385 4.733 0 40 FJAB O=C(COc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 575243242 YFVXOSMXBMTPOB-UHFFFAOYSA-N 359.141 4.730 0 40 FJAB COc1ccccc1C1(C(=O)N[C@@H](C)Cc2csc3ccccc23)CC1 1889056212 ZAKJGQNSJJOGHG-HNNXBMFYSA-N 365.498 4.689 0 40 FJAB CC(C)COC(=O)N1CCC([C@H]2CCCCN2Cc2ccccc2)CC1 2056225993 HEUKTMXJHMXBFU-OAQYLSRUSA-N 358.526 4.546 0 40 FJAB Cc1sc2ncnc(Oc3ccc4c5c3CCCN5CCC4)c2c1C 948525 FAIOWBKTYSJDHA-UHFFFAOYSA-N 351.475 4.799 0 40 FJAB Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1C 1327194 YJZYWCUXUOWPOK-UHFFFAOYSA-N 364.518 4.756 0 40 FJAB Cc1ccc(C)c(Cn2c([C@@H](C)NC(=O)C(C)(C)C)nc3ccccc32)c1 2721345 TWZGQQJPGHVGGQ-QGZVFWFLSA-N 363.505 4.925 0 40 FJAB COc1ccc(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)c(OC)c1 4084491 KZXXVBVHVOZSBC-UHFFFAOYSA-N 366.413 4.822 0 40 FJAB biogenic Clc1ccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)cc1 4667779 XTPIDPZCAKKZOQ-DHZHZOJOSA-N 352.850 4.600 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 4691543 LONUZVILOHDWEN-CYBMUJFWSA-N 362.267 4.980 0 40 FJAB S=C1NC(C23CC4CC(CC(C4)C2)C3)=C[C@@H](c2ccccc2Cl)N1 5024922 ZJNJZRJGHMGYEN-UTNBAMHJSA-N 358.938 4.959 0 40 FJAB CCN1C/C(=C/c2sccc2C)c2nc3ccccc3c(C(=O)O)c2C1 6754282 UUJQAPLERRZZOW-UVTDQMKNSA-N 364.470 4.679 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(Cl)c(Cl)c1 6978520 FTGSTDVZKFQLGD-SFHVURJKSA-N 357.240 4.908 0 40 FJAB O=C(c1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 7313163 CAEDQCAZADQBIL-CQSZACIVSA-N 361.470 4.797 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(Cl)c1 7804791 CXSGUJMITTULMK-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@H]2C)c1Cl 7878231 YSHNPVUAEMOYBE-LLVKDONJSA-N 369.317 4.921 0 40 FJAB COc1ccc(OCc2cc(C(=O)Nc3cc(F)ccc3C)c(C)o2)cc1 8328702 ZNUIVRLAJUBAMM-UHFFFAOYSA-N 369.392 4.875 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 9064455 BAOLJULNKZNAQG-KRWDZBQOSA-N 352.478 4.645 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C(C)(C)C)cc2c1 9463004 OEIMMOZDISHPQB-UHFFFAOYSA-N 362.473 4.586 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 9992060 PFYSYAITZPMACG-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB COc1cc(CNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)C 10542669 XHTMTHCLJVXJDM-UHFFFAOYSA-N 368.260 4.719 0 40 FJAB Cc1ccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c(F)c1 11248419 QIXKIAQURSLQST-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB CCn1c(C)cc2cc(NC(=O)C[C@H](C)n3nc(C)c(C)c3C)ccc21 12148363 BEZQDNWXATUATJ-AWEZNQCLSA-N 352.482 4.681 0 40 FJAB COc1ccc2nc(SCc3nc(-c4ccccc4)oc3C)[nH]c2c1 12239801 ZVVQMXOKLWKEEE-UHFFFAOYSA-N 351.431 4.827 0 40 FJAB C/C=C/C=C/C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 12821401 XIOYDIAZGPNGND-CRBCFSCISA-N 352.381 4.824 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 13709785 HZSYHZQVDGOJFT-MRXNPFEDSA-N 357.881 4.589 0 40 FJAB O=C(CNc1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1cccs1 15290860 NCAXWBRILCQFPV-AWEZNQCLSA-N 355.290 4.831 0 40 FJAB COc1ccc(Nc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)cc1 17593244 LNZBVLUHEILUOK-UHFFFAOYSA-N 358.401 4.567 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 20050728 XQVHQMBYHBGVFG-NQIIRXRSSA-N 369.505 4.983 0 40 FJAB COc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20485171 WUVWPWHQYZVHQM-UHFFFAOYSA-N 372.468 4.900 0 40 FJAB Cc1cc2c(-c3ccccc3F)nc(NCC(=O)OC(C)(C)C)nc2s1 22053768 XNKVZPQFQCXPED-UHFFFAOYSA-N 373.453 4.559 0 40 FJAB in-vitro O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCC[C@H](C(F)(F)F)C1 22408869 YDPXIUMQRAYBHB-ONGXEEELSA-N 370.198 4.610 0 40 FJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC(C)(C)C 25470045 GPSJWYNRQPCQOA-INIZCTEOSA-N 352.478 4.895 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)Cc3ccccc3Cl)o2)cc1 26435410 GAXOHGHUGVDHJX-CYBMUJFWSA-N 356.809 4.545 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCCCCC2)cc1 27664374 HVKYOVWGLPIPPN-OAQYLSRUSA-N 370.924 4.996 0 40 FJAB C[C@H](c1cccc2ccccc12)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 29253267 IMUGXJFOMQCMRN-SECBINFHSA-N 373.305 4.753 0 40 FJAB COCc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 29280097 HTYLOBXQXWWOCJ-NRFANRHFSA-N 363.482 4.682 0 40 FJAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccccc1 33408086 JUMOAKISAVETQS-UYRXBGFRSA-N 357.409 4.767 0 40 FJAB O=C(C1CCCC1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 36675504 UPNZEPGBWHMOCC-UHFFFAOYSA-N 355.438 4.554 0 40 FJAB CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38834336 JOIQHIGMNHQIGG-QGZVFWFLSA-N 372.896 4.589 0 40 FJAB S=C(NCCCNc1ccnc2cc(Cl)ccc12)Nc1ccccc1 40874670 PSMMGWRJWWQETD-UHFFFAOYSA-N 370.909 4.677 0 40 FJAB CCCC[C@@H](CC)CNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1 48355698 LKLIILVUJJJKPV-QGZVFWFLSA-N 359.514 4.569 0 40 FJAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(Cl)cc2c1Cl 72329766 PYJROKGDTOHFIU-UHFFFAOYSA-N 374.195 4.653 0 40 FJAB CCOc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)c(C)c1 95097210 WZQSEKULWQEYQW-UHFFFAOYSA-N 353.443 4.811 0 40 FJAB CCOc1cccc(CNC(=O)CCc2ccc(Cl)cc2Cl)c1 107722855 MPNXTZNKXQZNST-UHFFFAOYSA-N 352.261 4.641 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(Cl)cc1 216493185 INQOWLRNPWIFBN-QGZVFWFLSA-N 366.288 4.900 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 222574751 HSLAOFNEFOLHMA-MRXNPFEDSA-N 371.786 4.833 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2cccc(F)c2)nc1 222622262 AJIHCEGPDZXSFG-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C 223469502 AFZWNSJKKWETDI-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 224426561 MJGSZEACLDTPFY-LJQANCHMSA-N 369.505 4.527 0 40 FJAB CCCCNC(=O)c1ccc(OCC)c(COc2ccc(C)c(C)c2)c1 224617413 LRULIBWQLRARJL-UHFFFAOYSA-N 355.478 4.811 0 40 FJAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224642180 RDVROKVYUQOMDM-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(C)C)o2)cc1 224915406 UVEVHORKVXBACP-UHFFFAOYSA-N 364.445 4.793 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225357661 NVNUFLJJSITJPK-UHFFFAOYSA-N 351.233 4.523 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cccc(C)c2)cc1 409113035 DGDSIILIMUMCLE-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB COc1ccc(C(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)cc1Cl 1307255664 LMLZYMTZTJMPLV-LLVKDONJSA-N 360.866 4.897 0 40 FJAB C[C@]1(c2noc(CCCOc3cccc4ccccc34)n2)CCCCO1 1776003519 VHNLUHXFFVTOOP-OAQYLSRUSA-N 352.434 4.650 0 40 FJAB CC[C@@H]1CCCCN1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 953965 AZGGQLXWUBGZEH-OAHLLOKOSA-N 353.491 4.800 0 40 FJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1cccnc1 1299375 JNQQQCKJLVMUAP-UHFFFAOYSA-N 368.223 4.755 0 40 FJAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl 2060606 GVVMULGNGGSRKH-UHFFFAOYSA-N 353.226 4.914 0 40 FJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1ccc(C)cc1 2107965 MRYHAXJYGJIWLN-GMKZXUHWSA-N 365.517 4.872 0 40 FJAB biogenic O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1F 2517869 GUALSTPJSOEGDA-UHFFFAOYSA-N 361.132 4.821 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CSc1ccc2c(c1)OCCO2 3499121 VFDPEWBKEJXFDD-AWEZNQCLSA-N 357.475 4.702 0 40 FJAB Cc1cc(C)c2nc(SCC(=O)Nc3nc(C)cs3)c(C)cc2c1 4128006 BZPNPVYFRSOLMZ-UHFFFAOYSA-N 357.504 4.656 0 40 FJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Cl)cc1 4679241 YGBBRZRTUHDXDZ-UHFFFAOYSA-N 359.832 4.601 0 40 FJAB O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2cccc3cccc1c23 5742707 JCXWFZRDEFLLDH-UHFFFAOYSA-N 368.388 4.713 0 40 FJAB CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccncc1 6661151 PHHNTRGBMRSTPC-UHFFFAOYSA-N 354.413 4.507 0 40 FJAB O=C(OCc1nc2ccccc2s1)c1ccccc1C(=O)c1ccccc1 6829425 NUDHSGFOGLTYJL-UHFFFAOYSA-N 373.433 4.884 0 40 FJAB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)NC(=S)N1c1ccccc1 6890001 XIOSASYQUPWKOP-HKWRFOASSA-N 372.449 4.741 0 40 FJAB CC(=O)c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 7368136 LFUXUOIKNNKRQN-UHFFFAOYSA-N 364.923 4.621 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccc(Cl)cc2[nH]1 8425038 SNJXLJAMOLRAAA-UHFFFAOYSA-N 355.850 4.981 0 40 FJAB COc1cc(CNC2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 8471385 OZLJCUJUDRSEQG-UHFFFAOYSA-N 352.261 4.833 0 40 FJAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062925 IOEXIBLNLLNKKW-UHFFFAOYSA-N 364.533 4.971 0 40 FJAB COc1ccccc1NC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12 9647822 CPEYFQAFABHBKV-UHFFFAOYSA-N 353.271 4.559 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 10277945 CBSRXWAJHHTJGD-UTKZUKDTSA-N 368.477 4.665 0 40 FJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)/C=C/c1ccccc1 11612204 FLHGIDRCDLYOCD-OUKQBFOZSA-N 363.438 4.854 0 40 FJAB Cc1cccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 12627373 ZEDUDTHIBKHNSE-NRFANRHFSA-N 369.468 4.596 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1F 12760552 LVBRZPGPLDIGCG-GHMZBOCLSA-N 356.224 4.777 0 40 FJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1nnc(-c2ccco2)o1 12915161 FSPRECDOVKFWFP-UHFFFAOYSA-N 369.808 4.875 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2nc(-c3cccs3)no2)c1 12951798 LMDDXMBZPIXIBX-CYBMUJFWSA-N 373.503 4.675 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 12997824 BSEPWWJFDPYVGU-UHFFFAOYSA-N 351.837 4.575 0 40 FJAB CCCCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 13020031 YUTLOMIZBLWLKI-QGZVFWFLSA-N 353.462 4.830 0 40 FJAB S=c1[nH]nc(Cc2c[nH]c3ccccc23)n1-c1cccc2ncccc12 13550294 IJUSPULYECCPJO-UHFFFAOYSA-N 357.442 4.550 0 40 FJAB O=C(COc1ccc2oc3ccccc3c2c1)N1CCc2ccccc2C1 14049092 XOMZFUZLLSRZDM-UHFFFAOYSA-N 357.409 4.550 0 40 FJAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccnc2)c1Cl 14257983 JHWBGQXQAXKXHW-UHFFFAOYSA-N 359.640 4.676 0 40 FJAB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=O)N(CC)C3=O)c2c1 16681424 YDNBJEIUPWVKII-PDGQHHTCSA-N 371.458 4.693 0 40 FJAB CN(Cc1cccc(F)c1)C(=S)NCCSc1ccc(Cl)cc1 18143795 SIFJVQXBVQBGNK-UHFFFAOYSA-N 368.930 4.578 0 40 FJAB COc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1OC 19240097 CRFXVWYOIWJDJZ-INIZCTEOSA-N 374.531 4.604 0 40 FJAB CC[C@@H](CNc1ccccc1OC[C@@H]1CCCO1)Oc1ccccc1C 19737589 PINYTAIFLQJEFY-OALUTQOASA-N 355.478 4.822 0 40 FJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN([C@@H](C)c1ccccc1)CO2 20609952 QPSCDOLZEKPMRR-HNNXBMFYSA-N 361.441 4.503 0 40 FJAB biogenic CCOc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245876 PHKVAZHNECTUOU-UHFFFAOYSA-N 371.437 4.985 0 40 FJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 22526340 JCZZVTGJXIHOEU-AWEZNQCLSA-N 373.518 4.948 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1 25988270 AKYZMAKJEACTSG-UHFFFAOYSA-N 356.775 4.700 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)c2csc3c2CCCC3)c(OC)c1 27155446 XNCHBEFWFPJMEE-SFHVURJKSA-N 371.502 4.621 0 40 FJAB CCOCc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1 29282324 LAJAAUVDCLYPJB-UHFFFAOYSA-N 356.224 4.599 0 40 FJAB Cc1ccc2c(Nc3ccccc3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005191 WAEMGPWHOJAAHZ-MRXNPFEDSA-N 360.461 4.696 0 40 FJAB O=C(O)c1cnc(-c2ccc(Cl)c(Cl)c2)nc1NCc1ccccc1 49469822 SSHFDPACMLWPJP-UHFFFAOYSA-N 374.227 4.761 0 40 FJAB Cc1ccc(N)cc1NC(=O)c1cccc2c(Br)cccc12 57340135 LNLRHVUDRGJPQZ-UHFFFAOYSA-N 355.235 4.745 0 40 FJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1cccc(C(F)(F)F)c1 57816694 RGLGRTCWZIZFNP-SFHVURJKSA-N 364.411 4.730 0 40 FJAB CN(C[C@H](O)c1ccccc1F)[C@H](c1ccccc1)c1ccc(F)cc1 105719143 DKCBNRHIQRQBQK-FCHUYYIVSA-N 353.412 4.720 0 40 FJAB O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCC[C@H]1c1ccco1 116495157 KKOJBPBLXPKHFK-LBPRGKRZSA-N 365.311 4.809 0 40 FJAB CCOC(=O)/C=C/c1cccc(OCc2ccc(Br)cc2)c1 216896829 VNYVQHPCXWABLY-DHZHZOJOSA-N 361.235 4.604 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219313833 ULLZKVNETYCNJY-OALUTQOASA-N 367.489 4.879 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1 222795996 MEXAOGGNMOSMKQ-FQEVSTJZSA-N 353.849 4.967 0 40 FJAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 222965528 RRUILYYUXZDZRX-OAHLLOKOSA-N 357.494 4.815 0 40 FJAB CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)c(C)c1 222988324 OTEUPPOHVHGKRY-HXUWFJFHSA-N 369.486 4.586 0 40 FJAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C 224290629 LMSLCCYJUGTIQC-UHFFFAOYSA-N 352.369 4.669 0 40 FJAB CCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1C 224561838 FEJGVQRDCKAOOG-HXUWFJFHSA-N 355.478 4.920 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)COc2ccccc2C)c1 225219897 JBOHGNJKCPWCFF-RTBURBONSA-N 369.505 4.778 0 40 FJAB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 225597015 DAXQZTJSXTZCFM-ROUUACIJSA-N 358.526 4.562 0 40 FJAB Fc1cccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225836997 XVOHGISVZRUBBK-UHFFFAOYSA-N 373.678 4.728 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1N 226764686 ZIRSHCUPNJTBCR-UHFFFAOYSA-N 360.772 4.582 0 40 FJAB CC(C)(NC(=O)[C@@H]1CCc2cc(F)ccc21)c1nc2ccccc2s1 529695777 AVSSOZFREFBNAU-OAHLLOKOSA-N 354.450 4.517 0 40 FJAB O=C(Nc1cccc(Sc2ccc(Cl)cc2)c1)[C@@H]1C[C@H]2CC[C@H]1O2 1126840895 WJNHLIVTKZGXBX-ZTFGCOKTSA-N 359.878 4.997 0 40 FJAB Cc1cccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)c1 942759 NBGAIFQGTJTSMT-UHFFFAOYSA-N 362.337 4.706 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Oc1ccc(Cl)cc1Br 1097876 SDOXVFVMDAVCAX-FPYGCLRLSA-N 355.590 4.860 0 40 FJAB Cc1ccc(C)c2nc3sc(C(=O)N4CCC(C)CC4)c(N)c3cc12 1342975 RFNSMFZHHKHRHQ-UHFFFAOYSA-N 353.491 4.521 0 40 FJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2 2354301 SIAMHHWLPXPIRL-UHFFFAOYSA-N 373.452 4.569 0 40 FJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(Cl)c1)C3 4000072 QDAAIYLZAYNJOC-UHFFFAOYSA-N 355.821 4.728 0 40 FJAB biogenic CCCCC[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C=C(C)[C@@H]1C(=O)OC 4024453 LXYPHJSHOAJKFP-QRQLOZEOSA-N 359.466 4.939 0 40 FJAB biogenic CCCCCCOc1ccc([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1 4241137 OGHSVGHAMOMRJD-QGZVFWFLSA-N 365.470 4.686 0 40 FJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCCC2 4548448 PEMVZUYSAOZPOX-UHFFFAOYSA-N 368.433 4.730 0 40 FJAB CC(=O)N1c2ccc(Cl)cc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4673031 QBXGGISCYWWRKD-RBZFPXEDSA-N 356.853 4.579 0 40 FJAB Cc1cccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCCO4)n12 4733655 NGHYBIRSZYVWHL-UHFFFAOYSA-N 373.412 4.530 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 4892147 ROYVPQYDLVVFAV-UHFFFAOYSA-N 369.461 4.931 0 40 FJAB CC(C)c1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 4934967 FMJKXSXIMXBAOQ-UHFFFAOYSA-N 367.474 4.515 0 40 FJAB Cc1sc(NC(=O)c2ccccc2F)c(C(=O)c2ccccc2)c1C 4953226 ALOJBQGQOVYIBE-UHFFFAOYSA-N 353.418 4.987 0 40 FJAB Cc1nc(N2CCN(c3cccc(C)c3C)CC2)c2oc3ccccc3c2n1 5164387 YIAYGCLZDYXCMP-UHFFFAOYSA-N 372.472 4.628 0 40 FJAB CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3C)o2)N(CC)C1=S 5597959 IZHAHNVSZXRHHC-WJDWOHSUSA-N 374.893 4.718 0 40 FJAB COc1ccc(-c2ccnc(SCc3nccc4ccccc34)n2)cc1 6275118 XGAKJMHUMDXBGZ-UHFFFAOYSA-N 359.454 4.993 0 40 FJAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 6327657 OFJOJMCGTCYFSQ-UHFFFAOYSA-N 358.441 4.744 0 40 FJAB COc1ccccc1-c1nnc(SCc2ccc(C(C)C)cc2)n1C 6850266 XSCULSFFEPUQFQ-UHFFFAOYSA-N 353.491 4.906 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)N(c2ccccc2)c2nc(C)cs2)c1 7688843 YDBYRXXLRNYCCD-INIZCTEOSA-N 352.459 4.892 0 40 FJAB COc1cccc(-c2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)c1 7981446 DZPQEHUIKBSXGR-UHFFFAOYSA-N 366.486 4.554 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 8041287 RJJKWYDZTJMNFX-IBGZPJMESA-N 359.469 4.977 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(F)c2)cc1OCC 8287625 BIEKUPQXUNWEIO-UHFFFAOYSA-N 351.805 4.919 0 40 FJAB Cc1ccccc1-c1nnc2sc(-c3ccccc3Br)nn12 8392731 ZFXMKPQGTLHSCW-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)c1 9018949 QAXHWUHBKBWPBD-UHFFFAOYSA-N 368.436 4.684 0 40 FJAB Fc1ccc(-c2cnc(CSc3nnc(-c4cccs4)o3)o2)cc1 10125814 NFMBHDWSDWOFMS-UHFFFAOYSA-N 359.407 4.885 0 40 FJAB COCCn1c(SCCOc2ccc(Cl)cc2)nc2ccccc21 12062324 AZEKETVWHHZCEO-UHFFFAOYSA-N 362.882 4.507 0 40 FJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1cnn(Cc2ccccc2)c1 17169329 MMYKLOOCUHTSQR-UHFFFAOYSA-N 353.425 4.851 0 40 FJAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 18005073 UMZPKTWTRCKGCA-UHFFFAOYSA-N 364.533 4.971 0 40 FJAB O=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccc(Cl)cc1 18177360 LTKXSPHRMQGLAK-UHFFFAOYSA-N 357.885 4.648 0 40 FJAB c1ccc2c(-c3nnc([C@H]4CCCN4Cc4ccsc4)o3)nccc2c1 19376495 QOGAPZHZDLSZJD-QGZVFWFLSA-N 362.458 4.683 0 40 FJAB Cc1c(N)cccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 19736273 HWDSKZITBHQMSL-UHFFFAOYSA-N 353.249 4.682 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(OC2CCCC2)c1 19874474 HVGIUGFHIKEJRF-QFIPXVFZSA-N 362.473 4.733 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1OCC 20484582 IRRPREYNSQHGEV-HXUWFJFHSA-N 367.489 4.610 0 40 FJAB CCOc1ccc(CNc2ccc(Br)cc2C)cc1OC 21500223 QEIHZCRZPLCQGH-UHFFFAOYSA-N 350.256 4.777 0 40 FJAB CN(CCOc1ccccc1)Cc1c(-c2ccccc2)nc2sccn12 25139215 NBNHSAHLHLZGTP-UHFFFAOYSA-N 363.486 4.574 0 40 FJAB Clc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222521 XAEDATRFRALGNI-HXUWFJFHSA-N 351.881 4.752 0 40 FJAB COc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1Cl 27742767 GCNBEUSGOMUVKV-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 28290425 AKCGMGLNUUYDRB-LJQANCHMSA-N 354.494 4.534 0 40 FJAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1CCc2ccccc21 29483808 ZMMQWUXRVRSBCE-XMMPIXPASA-N 370.496 4.835 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(Cl)cc1 30865944 UPFWAWPEDXCCKX-SFHVURJKSA-N 366.288 4.900 0 40 FJAB CCCCOc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 34806051 HAPGQFHONRDQBN-AQTBWJFISA-N 355.821 4.863 0 40 FJAB Cc1cccc(CSc2nnc(NC(=O)c3cccc(F)c3)s2)c1 35563154 GNALTFIHQOAVKX-UHFFFAOYSA-N 359.451 4.530 0 40 FJAB Cc1ccc(Nc2nnc(-c3nc(-c4ccc(C)cc4)oc3N)s2)cc1 35681787 CBIHPHGTJRRADW-UHFFFAOYSA-N 363.446 4.803 0 40 FJAB O=C(c1csc(-c2cccs2)n1)N1CCCc2c(F)cc(F)cc21 40090404 BUWUHZQQQYVSJY-UHFFFAOYSA-N 362.426 4.743 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 44883605 DYCCCJUIECLTII-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 44934017 HCANGIHHYOOZER-CRAIPNDOSA-N 374.887 4.569 0 40 FJAB O=C(O)c1cnc(/C=C/c2ccc(-c3nc4ccccc4s3)o2)s1 58406322 AHIQAJBINARJEG-SOFGYWHQSA-N 354.412 4.881 0 40 FJAB O=C(Nc1cccc(-c2cnco2)c1)c1cccnc1Nc1ccccc1F 65158684 BHAXMUIZKSBGQK-UHFFFAOYSA-N 374.375 4.872 0 40 FJAB OCc1ccc(-c2cc(Br)c(Cl)c(Br)c2)o1 70461232 CPRAEEXGSWIMAZ-UHFFFAOYSA-N 366.436 4.617 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72348667 RLEKNQBXVOAIJH-UHFFFAOYSA-N 374.459 4.831 0 40 FJAB COc1ccc2sc(C(=O)N3CCC(C(F)(F)F)CC3)c(C)c2c1 81312632 JTQMYGQHPUUPOB-UHFFFAOYSA-N 357.397 4.633 0 40 FJAB CC(C)n1ncc2cc(CNc3ccc(-c4cnco4)cc3)c(Cl)nc21 95428693 POHJDZVXEGLSEY-UHFFFAOYSA-N 367.840 4.933 0 40 FJAB C[C@H]1CC(=O)[C@H](C)CN1C(=O)N1c2ccccc2Sc2ccccc21 100561338 MDWDYOWWFHITDX-KGLIPLIRSA-N 352.459 4.709 0 40 FJAB Cc1ccc(C(=O)[C@H]2c3ccccc3C(=O)N2c2ccccc2)c(O)c1C 101954523 QAKWUTSBDGKHCT-HXUWFJFHSA-N 357.409 4.593 0 40 FJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718066 RSDDVPNKVFLXTO-CQSZACIVSA-N 370.880 4.629 0 40 FJAB COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1Cl 216916608 VKTYNXXAVQUCDS-UHFFFAOYSA-N 351.631 4.963 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219291428 VCNFZFJFQVGKKS-SUMWQHHRSA-N 359.853 4.526 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219592358 JFTXAQKUXVELOW-RTBURBONSA-N 353.462 4.571 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 219858337 LFLWDWKHRVMZHA-UHFFFAOYSA-N 352.478 4.637 0 40 FJAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccco1 222685157 BFXRRVVZULOFBF-UHFFFAOYSA-N 369.939 4.855 0 40 FJAB CCc1cccc(C)c1NC(=O)c1cnc(-c2ccc(OC)cc2)nc1C 223139915 CWWVIINSSLSJIY-UHFFFAOYSA-N 361.445 4.584 0 40 FJAB CC[C@@H]1N=C(c2ccc(F)cc2)c2cccn2-c2cc3c(cc21)OCCO3 225375699 LALVXSBTYFRVTI-KRWDZBQOSA-N 362.404 4.690 0 40 FJAB Fc1ccc(NC(=S)NCCCSCc2ccccc2)cc1F 225598081 PMBLWBKATAXWDA-UHFFFAOYSA-N 352.475 4.575 0 40 FJAB CCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCC1 225708698 PSERTHRXKSXQTG-UHFFFAOYSA-N 353.462 4.944 0 40 FJAB Cc1ccc(COc2c(Cl)cc(C(=O)O)cc2Br)cc1 226340376 WIWFFOXHYZLADO-UHFFFAOYSA-N 355.615 4.688 0 40 FJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)c(Cl)c2)S1 260786471 XHRPQTBLTZHWLS-UHNFBRDESA-N 364.301 4.978 0 40 FJAB Cc1ccc(CNc2ncccc2-c2nc(-c3cccc(F)c3)no2)cc1 1889130393 QGZCXRJIDAMOSJ-UHFFFAOYSA-N 360.392 4.858 0 40 FJAB COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 632712 UZSZIQOQRCHZND-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB COc1ccccc1Nc1nc([C@]2(C)C[C@H](CC(C)C)C(=O)O2)cs1 2134625 MNLGDKIPLXSVRM-DJJJIMSYSA-N 360.479 4.720 0 40 FJAB biogenic Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl 3128541 CQAUUYQVNLKYAV-UHFFFAOYSA-N 372.561 4.651 0 40 FJAB Cc1nn(-c2ccccc2)c(N)c1Sc1ccccc1Br 3191853 FEGLNDWWTMRPJW-UHFFFAOYSA-N 360.280 4.677 0 40 FJAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1cccc(Cl)c1 3198979 JKOWXBXPQFBYBB-VOTSOKGWSA-N 365.742 4.567 0 40 FJAB COCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 3354730 ZABUYOCIERSMJD-UHFFFAOYSA-N 365.307 4.730 0 40 FJAB COc1cc2c(cc1C(C)=O)[C@H]1CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@@H]1CC2 4023568 OVPJRYHYLMZUJV-WZSIYIDHSA-N 370.489 4.686 0 40 FJAB biogenic COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccc(C)cc2O3)cc1 4105314 LQYNXKFIUJXXPG-UHFFFAOYSA-N 374.396 4.614 0 40 FJAB COc1ccc(-c2c(C)c3cc(OC(=O)C(C)(C)C)ccc3oc2=O)cc1 4340713 XKNFWRQGYJRDEB-UHFFFAOYSA-N 366.413 4.729 0 40 FJAB biogenic CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)cc1 4767639 PCRYYOVSUSBQSA-AWEZNQCLSA-N 371.502 4.763 0 40 FJAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816515 YCIBJLVTTVFHKY-SFTDATJTSA-N 374.488 4.700 0 40 FJAB Cc1cc2c(SCC(=O)Nc3cc(Cl)ccc3C)ncnc2s1 5017213 WDRQXNWSQXOAFB-UHFFFAOYSA-N 363.895 4.692 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1N1CCCC1 6647673 BQAIOBUVCQJHEA-UHFFFAOYSA-N 363.486 4.592 0 40 FJAB CCSc1nnc(NC(=O)c2sc3cccc(F)c3c2C)s1 7667468 DJMSYTNQZQOJFR-UHFFFAOYSA-N 353.469 4.565 0 40 FJAB CC(=O)c1ccc(OCCCC(=O)N2CCCSc3ccccc32)cc1 7777774 OFZGHRLVTWCJCK-UHFFFAOYSA-N 369.486 4.577 0 40 FJAB COc1ccccc1N(CC(=O)c1ccc(C)cc1)C1=NCCCCC1 8411473 SOPQVYGWWTVOCN-UHFFFAOYSA-N 350.462 4.665 0 40 FJAB COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccc(F)cc1 8495394 AKAUFBJKGLMLSR-UHFFFAOYSA-N 369.411 4.842 0 40 FJAB CC(C)CCNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854297 LHWDHPPZVHSHFW-UHFFFAOYSA-N 368.955 4.794 0 40 FJAB C[C@H](CCc1ccco1)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 10431752 UARZMYBQGYOYRU-MRXNPFEDSA-N 371.440 4.641 0 40 FJAB COc1ccc2cc(CN[C@@H]3CCC[C@H]3Cc3cc(C)no3)ccc2c1 12366535 VKZYXRMRLDXQIT-SIKLNZKXSA-N 350.462 4.646 0 40 FJAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 12687365 AFYPDMNCKMHLDO-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1C 12767435 JPMBMARMJUMERK-HNNXBMFYSA-N 361.869 4.693 0 40 FJAB Cc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 13000398 PUYBOXUYUBHJQW-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB O=C(Nc1cccc(CNCc2ccccc2)c1)c1ccccc1Cl 17309832 JIQZILVFJJNQOM-UHFFFAOYSA-N 350.849 4.882 0 40 FJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(F)c(Cl)cc1Cl 17369480 DSDLPLPNYCJXNE-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(C(C)C)cc1)C2=O 19324388 YQJFTVXXIJXBBH-UHFFFAOYSA-N 354.538 4.596 0 40 FJAB biogenic CCCCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC 23076320 JLVHERVGKJNVHB-UHFFFAOYSA-N 350.418 4.675 0 40 FJAB CCCc1n[nH]c(Sc2nc(C)nc3scc(-c4cccs4)c23)n1 23620570 MTPMTNQPCIFSFF-UHFFFAOYSA-N 373.532 4.950 0 40 FJAB O=C(CCc1cccnc1)Nc1nc(-c2ccc3ccccc3c2)cs1 24782860 USEXPZRJZUFMJI-UHFFFAOYSA-N 359.454 4.930 0 40 FJAB COc1ccccc1-n1c(S)nnc1[C@@H](C)c1ccc(CC(C)C)cc1 28295968 ZUPWVZCNLGFZRI-HNNXBMFYSA-N 367.518 4.915 0 40 FJAB Cc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccccc4)nn32)cc1C 32073443 VUGUHWJKFYXFFQ-GOSISDBHSA-N 374.444 4.647 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2cccc(F)c2)no1 33155367 KVKSSFSYDHRUSF-UHFFFAOYSA-N 362.763 4.545 0 40 FJAB Cc1ccc(Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)c(C)c1 38516475 FOCAAKQPJLMDQL-OAHLLOKOSA-N 351.475 4.995 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(-c2cnco2)c1 40152475 LHCHPZPNMIKCTJ-UHFFFAOYSA-N 361.426 4.646 0 40 FJAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078607 RTKKTJJDINCUDT-UHFFFAOYSA-N 364.489 4.508 0 40 FJAB Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@@H]3c3ccsc3)ccc12 57948710 DFGOQSYSQQPINV-MRXNPFEDSA-N 354.431 4.532 0 40 FJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C3CCCCC3)C2)n1 72379145 XFJJRMOXXKMFIO-GOSISDBHSA-N 352.526 4.903 0 40 FJAB O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F 79140862 ABSQCWBZVIQHMR-VQHVLOKHSA-N 356.397 4.668 0 40 FJAB O=C(c1c(F)cccc1Cl)N1CCS[C@@H](c2ccccc2F)CC1 219092478 QRTZPHWQUVDYCS-MRXNPFEDSA-N 367.848 4.939 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCCSC2CCCCC2)ccc1Cl 222842463 QPXOZCQDQKIIHK-AWEZNQCLSA-N 355.931 4.598 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222967999 FJBYGBJIZWIMQR-DLBZAZTESA-N 351.490 4.773 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(C)c1 223032564 PHPCJPVVZXQKRM-VQIMIIECSA-N 357.519 4.893 0 40 FJAB Cc1ccc(SCCC(=O)NCCOc2ccccc2C(C)C)cc1 223748320 CPZFZLBRNIGVSY-UHFFFAOYSA-N 357.519 4.796 0 40 FJAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224706455 BSQGRMVILKRTCH-UHFFFAOYSA-N 364.681 4.862 0 40 FJAB CCCOc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787147 VZDUZPLUSNVYTM-UHFFFAOYSA-N 350.256 4.741 0 40 FJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c2ncccc12)C1CC1 225913654 OPVHDSFPFZXEBX-JOCHJYFZSA-N 370.493 4.803 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(SC)cc3)N21 260762943 HVRAVKJTYAOKJW-JLSDUUJJSA-N 355.532 4.783 0 40 FJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cccc(C)c2C)c1 408624760 ZTFTXFACFFZGNX-UHFFFAOYSA-N 374.868 4.713 0 40 FJAB O=C1C[C@@H](c2nc(-c3ccc4ccccc4c3)no2)CN1c1ccccc1F 520459075 NYNPPRGYZBJHGT-QGZVFWFLSA-N 373.387 4.549 0 40 FJAB CC(=O)N1CCCCCCN(Cc2ccc(C)cc2)Cc2ccccc21 643563527 ZAGLCVLRZYAFFH-UHFFFAOYSA-N 350.506 4.924 0 40 FJAB C[C@@]1(c2noc(CCCOc3cccc4ccccc34)n2)CCCCO1 1776003518 VHNLUHXFFVTOOP-NRFANRHFSA-N 352.434 4.650 0 40 FJAB O=C(CCSc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1 645142 WMEAIKHEABUOQQ-UHFFFAOYSA-N 359.838 4.511 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4cccs4)c23)C1 928920 UKOZXZCGHBCVDC-SNVBAGLBSA-N 360.529 4.853 0 40 FJAB COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCC(C)CC2)cc1 1236117 PENPMWDLKCCVBP-UHFFFAOYSA-N 372.534 4.858 0 40 FJAB CC(C)CN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 1369513 MFAPWULZOWUBMC-ROUUACIJSA-N 365.974 4.668 0 40 FJAB CCCCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 2066192 NSRNATMTGWYKRK-AWEZNQCLSA-N 351.705 4.800 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc2ccccc2oc1=O 2772516 YVBCJPIDNSSSKG-UHFFFAOYSA-N 356.381 4.789 0 40 FJAB O=C(Nc1ccc(Cl)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116996 LHWGVDGEDLRIGB-UHFFFAOYSA-N 365.685 4.969 0 40 FJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)c(O)c(Cl)c1 3342646 FRCJPORSCXMVHA-UHFFFAOYSA-N 364.150 4.648 0 40 FJAB Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c(C)cc(=O)oc2c1 5100860 XTTXWCZEVKCIKK-UHFFFAOYSA-N 358.393 4.825 0 40 FJAB COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 5666751 BXYWVWRFRRPIGO-OAHLLOKOSA-N 374.436 4.765 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 6563524 QZGGJZQGLFCNPM-UHFFFAOYSA-N 352.478 4.602 0 40 FJAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 6650312 DBIVEISXVJFRTF-UHFFFAOYSA-N 350.443 4.529 0 40 FJAB COc1ccc(CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1OC 7007488 LCHFUHRMXACMQG-UHFFFAOYSA-N 363.413 4.677 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cs1 7922244 UVXQUUVZNPWLOD-UHFFFAOYSA-N 356.422 4.730 0 40 FJAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 7929406 NQPKSOULQMJVDP-GJZGRUSLSA-N 371.864 4.812 0 40 FJAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Br)c1 8200304 HAAGIYMRKBGMRH-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NC1CCCC1 8938174 BOXUZLWRXVBLIW-UHFFFAOYSA-N 366.939 4.690 0 40 FJAB COc1ccc(-c2nnc([C@@H](C)Nc3ccc(Br)cc3)o2)cc1 9607463 VCLHWAVXMRCNOS-LLVKDONJSA-N 374.238 4.681 0 40 FJAB O=C(CCc1ccccc1O)Nc1nc(-c2cc3ccccc3o2)cs1 9872970 VKXKQFCSORIGCA-UHFFFAOYSA-N 364.426 4.833 0 40 FJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Br)cc1F 10408790 NYPSIUOBIKRSND-UHFFFAOYSA-N 356.622 4.813 0 40 FJAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 10543942 SLGKOOLUTGWSFD-CYBMUJFWSA-N 372.317 4.791 0 40 FJAB Fc1ccc(C2=N[C@@H](c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)N2)cc1 12374655 AJEZCONNODRJJS-BGYRXZFFSA-N 352.359 4.936 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(C(F)(F)F)cc1 12623722 UNTXUJBJAKBXHS-UHFFFAOYSA-N 360.379 4.826 0 40 FJAB C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 12857394 LKHBFHADFVPHLH-CBUPOEEASA-N 367.228 4.591 0 40 FJAB CN(Cc1ccccc1Cl)C(=O)c1cc(C2CC2)nn1-c1ccccc1 12935020 YTPSBXUMEHOIFK-UHFFFAOYSA-N 365.864 4.675 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Br)cc1 14095583 WDAKSFLBJRDWGU-UHFFFAOYSA-N 371.234 4.675 0 40 FJAB Cc1cc(Cl)ccc1NC(=S)NCCc1c[nH]c2ccc(F)cc12 17074484 SRQWKQXURXIOQG-UHFFFAOYSA-N 361.873 4.798 0 40 FJAB Cc1ccsc1/C=C/C(=O)Nc1nnc(SCc2ccccc2)s1 21356666 BMHNLBUJLCMJEL-BQYQJAHWSA-N 373.528 4.852 0 40 FJAB CSc1ccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 21710690 CPMPIOHDRDTHNO-OAHLLOKOSA-N 359.516 4.932 0 40 FJAB C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1cccc(Cl)c1 21911490 CKQDZOUGZAUWCE-GFCCVEGCSA-N 357.866 4.679 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)cc1F 22512343 GRDLQQIHDJMBJW-MRXNPFEDSA-N 366.230 4.693 0 40 FJAB O=C(CCCc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl 28305086 QGNNFYGSTAWCMH-UHFFFAOYSA-N 371.843 4.685 0 40 FJAB Cc1ccccc1-n1ccnc1S[C@@H](C)c1nc(-c2ccco2)no1 29739681 LOKIGHNZWRBWJS-ZDUSSCGKSA-N 352.419 4.677 0 40 FJAB CCc1ccc(C(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)s1 32789387 XPGUNAAACLEOSP-DHZHZOJOSA-N 355.488 4.574 0 40 FJAB C[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)c1ccccc1 32832991 PTVLITYRLZQMLY-CQSZACIVSA-N 370.905 4.807 0 40 FJAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1N(C)c1ccccc1 36398342 RTLIQSRQXUUAFV-UHFFFAOYSA-N 373.456 4.708 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@H](c1ccccc1)C1CC1 36638309 DWTYDVXPIMNPAW-RFAWQRTRSA-N 371.484 4.770 0 40 FJAB COc1cccc(-c2noc(-c3cc(Cl)nc4ccccc34)n2)c1OC 67225231 OJTUBGLCHLNVQT-UHFFFAOYSA-N 367.792 4.622 0 40 FJAB CC(C)(C)c1ncc(NC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cn1 89725326 BPFUFUJMEGFZPD-VGOFRKELSA-N 364.493 4.707 0 40 FJAB O=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)NC1CCOCC1 89851182 OLKBYZQSFYRLLC-UHFFFAOYSA-N 364.367 4.673 0 40 FJAB C/C=C/[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105364039 IOUYXYGRBKBIAU-ACOUFMLPSA-N 361.526 4.855 0 40 FJAB biogenic Nc1nnc(/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)o1 216906125 UYDJFTLFOCVWDB-QPJJXVBHSA-N 362.216 4.708 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224438896 UPQNZDPABYPJSK-OAQYLSRUSA-N 369.505 4.645 0 40 FJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(C)cc1 224470413 GEPZUKKFYQKBNP-UHFFFAOYSA-N 367.489 4.845 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224988114 PMOBVEZDRFDCPC-UHFFFAOYSA-N 374.912 4.978 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 225150597 QJXOCCDZQKXTAR-JKSUJKDBSA-N 355.478 4.637 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1C 225181245 KZKUNUGFWLMQQF-UWJYYQICSA-N 351.490 4.909 0 40 FJAB COc1cc(CNC(=S)Nc2ccccc2Cl)ccc1OC(C)C 225530235 HZNOYQRBEJREJF-UHFFFAOYSA-N 364.898 4.622 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccccc2Cl)no1 225810422 BYLCXNVXZUGOKF-UHFFFAOYSA-N 369.852 4.832 0 40 FJAB O=C(NC1CCCC1)C1(Cc2ccccc2-c2cccs2)CCOCC1 257296077 RBDIJLNHKLCXAZ-UHFFFAOYSA-N 369.530 4.813 0 40 FJAB CO[C@H]1CCCN(C(=O)NCc2ccccc2Sc2ccccc2)CC1 679970610 KPSQTPSSUOWGHG-SFHVURJKSA-N 370.518 4.548 0 40 FJAB O[C@@H](CN1CCc2ccccc2[C@H]1c1ccccc1)c1c(F)cccc1F 731033493 WPKUZDOHTCWQNF-JTHBVZDNSA-N 365.423 4.646 0 40 FJAB O=C(Cc1ccc(Cl)s1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 1596852870 AGXRKSNUJGMFIT-UHFFFAOYSA-N 357.822 4.719 0 40 FJAB Cc1ccc([S@@](=O)c2ccccc2C2=N[C@H](c3ccccc3)CO2)cc1 1988182072 DAFPBDIGMMUDMU-RXFWQSSRSA-N 361.466 4.680 0 40 FJAB Fc1cccc(-c2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)c1 633129 ZMFNQYZSMDHPBD-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB C[P@](=O)(c1ccccc1)C(c1ccccn1)[P@](C)(=O)c1ccccc1 638629 WTZNUBAJGIFJLY-DKDGFOABSA-N 369.341 4.717 0 40 FJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C)C 709086 OTVANOTVJUSVNZ-UHFFFAOYSA-N 351.855 4.840 0 40 FJAB COc1cccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1 998722 QXSPVLAEXUFBFU-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1)c1ccccc1Cl 1370220 VUPCTFKVXKFIJF-QZTJIDSGSA-N 360.929 4.788 0 40 FJAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3401482 JIIARUZIGHEUAX-SFHVURJKSA-N 367.449 4.677 0 40 FJAB CC(C)/N=C1\S/C(=C/c2cccc(Br)c2)C(=O)N1C(C)C 6325002 QUMHYFVHNKKLOH-WZMAMLOKSA-N 367.312 4.538 0 40 FJAB [O-][n+]1c2c(n(O)c1-c1ccc(C(F)(F)F)cc1)-c1cccc3cccc-2c13 6528430 FEXQCNCMFFBENI-UHFFFAOYSA-N 368.314 4.845 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 6569598 PJRJQJATURIVMP-UHFFFAOYSA-N 352.478 4.818 0 40 FJAB Cc1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1C 6846258 PQTUGYGPWAGCHG-UHFFFAOYSA-N 360.866 4.892 0 40 FJAB COc1ccc(C)cc1CSc1nnc(-c2c[nH]c3ccccc23)o1 7828577 QEJDGSZVHCJNQM-UHFFFAOYSA-N 351.431 4.827 0 40 FJAB CC[C@H](C)NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8326661 ZLIVIUPUXLYVDY-ZDUSSCGKSA-N 351.849 4.955 0 40 FJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 8704317 ZAEKMLSZVYOQGL-ZDUSSCGKSA-N 371.506 4.526 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 8725531 JMAJVQUAPFYRPS-INIZCTEOSA-N 359.539 4.838 0 40 FJAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(C)cc4s3)oc2c1 8739344 VACPKZUCJWPXDZ-UHFFFAOYSA-N 364.426 4.580 0 40 FJAB Clc1ccc(-c2nc(NCc3cccs3)ncc2-c2ncc[nH]2)cc1 12143410 MHQMDDIBYSREOR-UHFFFAOYSA-N 367.865 4.861 0 40 FJAB COc1ccc2ccccc2c1[C@H]1CC(c2cccs2)=NN1C(C)=O 12420727 OPWLHUYDQSXMFX-QGZVFWFLSA-N 350.443 4.608 0 40 FJAB C[C@H](Nc1nc(Cl)nc(N[C@H](C)c2ccccc2)n1)c1ccccc1 12437188 VUHZBRPMEFMEPF-OKILXGFUSA-N 353.857 4.871 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCc3cccc(Cl)c3)ccc2c1 12778100 DPAJGHCYIKFMAB-CQSZACIVSA-N 353.849 4.922 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cccnc1 12925238 MJAOZNRFPYCOCC-UHFFFAOYSA-N 354.356 4.526 0 40 FJAB COc1cccc(CNCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 12926535 VATSRPODGJQFKQ-UHFFFAOYSA-N 360.457 4.546 0 40 FJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)CCSc2ccc(C)cc2)cc1 13024040 QMBWKUMMFFECIG-INIZCTEOSA-N 371.502 4.610 0 40 FJAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 13167644 ZFSXQSFZOZXRGU-UHFFFAOYSA-N 351.789 4.958 0 40 FJAB Fc1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 13934143 PTWLVLISYQKSLY-UHFFFAOYSA-N 362.779 4.985 0 40 FJAB C[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 20046907 VLLIYTVYPXHALX-SJORKVTESA-N 354.469 4.549 0 40 FJAB COc1ccc2oc(=O)c(-c3csc(-c4ccccc4F)n3)cc2c1 20726571 UKGSWNUKZLNNIM-UHFFFAOYSA-N 353.374 4.731 0 40 FJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)n1 32578669 KZMYALFVSFEUSU-UHFFFAOYSA-N 371.824 4.531 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2o1 32818764 CMLLDSKBCHOHPI-UHFFFAOYSA-N 363.339 4.791 0 40 FJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2F)CC1 35312227 RMEYWNURZXTFBZ-UHFFFAOYSA-N 360.816 4.606 0 40 FJAB COc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 38754771 TUPOQKORWSVINE-UHFFFAOYSA-N 361.397 4.533 0 40 FJAB CCN(Cc1nc2ccccc2s1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 60197790 FGWKVWAHBHICAB-PKOBYXMFSA-N 365.546 4.954 0 40 FJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ccsc2)CC1 75157196 VIFCMGGBRMLCEG-UHFFFAOYSA-N 355.381 4.667 0 40 FJAB c1ccc2oc(-c3nnc4sc(-c5cccc6cccnc56)nn34)cc2c1 96194013 CQVHBHXTCOXFMQ-UHFFFAOYSA-N 369.409 4.814 0 40 FJAB Fc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)cc1 101118172 WPRWPGZPVDQGSJ-OAQYLSRUSA-N 369.403 4.535 0 40 FJAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccc(F)cc2)no1 141588755 YKXFMFHTSSJCTO-ZDUSSCGKSA-N 372.827 4.885 0 40 FJAB CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223073795 LOHGBAIIMMHUTJ-QFIPXVFZSA-N 351.490 4.829 0 40 FJAB Cc1cc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc(C)c1Cl 224112569 PGLJCZFDSWRSNA-UHFFFAOYSA-N 371.786 4.671 0 40 FJAB Cc1cc(C)c(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)c(Cl)c1 245224732 CLQOWQIQBDGAFV-CABCVRRESA-N 353.963 4.506 0 40 FJAB CCOc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1 408801931 WVQWJKJTRPINBX-UHFFFAOYSA-N 373.885 4.810 0 40 FJAB Cc1cc(NC(=O)c2cc(Cl)c(F)cc2Cl)n(-c2ccccc2)n1 550453427 WWWHARFFGBNHHB-UHFFFAOYSA-N 364.207 4.879 0 40 FJAB Fc1ccc2c(C3CCN(c4ccnc(C(F)(F)F)c4)CC3)noc2c1 564563787 UJDCVXMQLHFGQP-UHFFFAOYSA-N 365.330 4.765 0 40 FJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CC(C)(C)C)C2 643575765 KDTMMTBJVTZQHO-UXHICEINSA-N 371.569 4.508 0 40 FJAB COc1cccc(C)c1NC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 861020610 QMALWZXORIQJNT-HNNXBMFYSA-N 360.404 4.693 0 40 FJAB C[C@@H]1C(=O)Nc2ccc(-c3csc(Nc4ccc(Cl)nc4)n3)cc21 1322365565 DZPGWMFCLZUCOB-VIFPVBQESA-N 356.838 4.658 0 40 FJAB Cc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1C 1003669 OAVJBVFNOJTHAH-UHFFFAOYSA-N 374.509 4.949 0 40 FJAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccccc1 1414897 DAUVHKSGLHHIPJ-ZHZULCJRSA-N 373.383 4.749 0 40 FJAB Cc1nc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cs1 1422655 QPILEHXZUJJVDH-UHFFFAOYSA-N 364.499 4.992 0 40 FJAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc3ccc(O)cc3c2)cc1 2069686 ZMXOZQCSGVVZMU-UHFFFAOYSA-N 356.443 4.611 0 40 FJAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1C 2116958 CYZKJWFGAGUDTL-UHFFFAOYSA-N 361.441 4.645 0 40 FJAB biogenic COc1ccccc1-n1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 2251040 ZZQAHTDAPHJBBC-UHFFFAOYSA-N 366.424 4.953 0 40 FJAB Cc1cc(-n2c(C(C)(C)C)nc3ccccc3c2=O)ccc1Br 2570696 NINQCFWQFHCMNJ-UHFFFAOYSA-N 371.278 4.754 0 40 FJAB CCOc1ccc(C(=O)n2nc(C)c(Sc3ccccc3)c2C)cc1 2685869 IVKVFLQVHPCLPY-UHFFFAOYSA-N 352.459 4.738 0 40 FJAB CCc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1 2917511 ISUSAIDCHPBOOO-UHFFFAOYSA-N 369.515 4.807 0 40 FJAB O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)-c1ccccc1CC2 3132968 PWWDXWPNCNYPHW-UHFFFAOYSA-N 350.809 4.540 0 40 FJAB O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)C1CC1 3301840 SNADYAZQOSPRAP-INIZCTEOSA-N 364.228 4.626 0 40 FJAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cn(C)c4ccccc24)N3)C1 4125398 YQFYSKHJHLGLSP-ZMZPIMSZSA-N 351.475 4.794 0 40 FJAB O=C(COc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 4554811 OHHQQVXTXQAWAJ-UHFFFAOYSA-N 360.438 4.981 0 40 FJAB Cc1c(C(=O)c2ccc(Cl)cc2Cl)cnc2cc3c(cc12)OCO3 4568146 ZENCIJVYHSINQC-UHFFFAOYSA-N 360.196 4.810 0 40 FJAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1 5778904 FWRXEBPGNBTCNP-UHFFFAOYSA-N 352.459 4.891 0 40 FJAB COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1 5915847 RMUQHIFZBNXQTG-UHFFFAOYSA-N 360.457 4.783 0 40 FJAB Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)s1 5974993 RMQPXYOYXACFST-SFHVURJKSA-N 369.417 4.732 0 40 FJAB Cc1nc(SCc2nnc(-c3ccccc3)o2)n(C2CCCC2)c1C 7140143 ASFVCKMNQVWSMV-UHFFFAOYSA-N 354.479 4.957 0 40 FJAB CCc1cc2c(CNc3ccc4nc(C)sc4c3)cc(=O)oc2cc1O 7242198 XNYVUQCKLHFPLC-UHFFFAOYSA-N 366.442 4.591 0 40 FJAB Clc1cccc(Cl)c1OCCSc1nncn1-c1ccccc1 8163551 AGTRRCSKSHYFEC-UHFFFAOYSA-N 366.273 4.745 0 40 FJAB CCN(C(=O)c1cc(Cl)c2c(c1)OCO2)c1nc2c(C)cccc2s1 8231721 FHEJRGIZJJQXOV-UHFFFAOYSA-N 374.849 4.654 0 40 FJAB Cn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccccc1F 8501061 PUIXIXXACFDEJD-UHFFFAOYSA-N 366.421 4.569 0 40 FJAB COc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 8991266 BPOAFYBOBQCTAO-QFIPXVFZSA-N 358.441 4.770 0 40 FJAB Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)C3CC3)nc12 10020800 RPQBZQCXSFJJMF-UHFFFAOYSA-N 357.866 4.596 0 40 FJAB CC(C)N(C(=O)COC(=O)C1CCC1)c1ccc(Nc2ccccc2)cc1 10720536 VXURHNSFTRHXLQ-UHFFFAOYSA-N 366.461 4.515 0 40 FJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 12216985 IKFRWSRCCPCDLW-UHFFFAOYSA-N 373.456 4.648 0 40 FJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1Cl)O[C@@H](C)C2 12536566 HHMJKUAQFQSGDH-STQMWFEESA-N 374.868 4.501 0 40 FJAB COc1ccccc1CNC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 12982847 IETXQBIAAOHYSI-FQEVSTJZSA-N 366.486 4.654 0 40 FJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1 12995306 WEKWHTAXUODDTP-UHFFFAOYSA-N 372.877 4.614 0 40 FJAB CC(C)OCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 13020739 GXCRXBMUZDQZGB-UHFFFAOYSA-N 353.340 4.763 0 40 FJAB O=C(NCc1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 13206977 COSHDEQYFQMDLA-UHFFFAOYSA-N 368.889 4.957 0 40 FJAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1 13757529 MMIYCLVXXIOXHA-STQMWFEESA-N 355.504 4.740 0 40 FJAB CCc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 16206040 AGKZUAIPVJOFMS-UHFFFAOYSA-N 366.486 4.774 0 40 FJAB CCN(CC)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 16467971 NXFVTKGGTLOJIP-UHFFFAOYSA-N 350.384 4.733 0 40 FJAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)c(OC)cc1Cl 19945523 RHDUPEGYSFZQOH-UHFFFAOYSA-N 359.853 4.808 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 20111058 APEPJNATSVSDIO-KRWDZBQOSA-N 361.441 4.765 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1 20490184 DTDGWSAUJFQLJH-SOFGYWHQSA-N 372.255 4.509 0 40 FJAB CCc1cccc(C)c1NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 22234863 QYZDJMPYCGEXQM-UHFFFAOYSA-N 368.864 4.798 0 40 FJAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)c2ccccc2)cc1 22514163 POKJTPTUNUXKLP-CVDCTZTESA-N 359.469 4.977 0 40 FJAB Cn1c(S[C@@H]2CCCCCC2=O)nnc1-c1ccc(C(C)(C)C)cc1 24751495 XMQVFZROPWXQGQ-QGZVFWFLSA-N 357.523 4.774 0 40 FJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2cc(C)ccc2C)cc1 27027199 KYOYNBFEQZDPFL-UHFFFAOYSA-N 352.503 4.794 0 40 FJAB Cc1ccccc1NC(=O)Nc1ccc(-n2cc(Br)cn2)cc1 27918181 FCZXKENNCPBWCF-UHFFFAOYSA-N 371.238 4.587 0 40 FJAB Cc1c([C@H](C)NC(=O)C2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 29317593 RWBHCEKUZCGBCI-LBPRGKRZSA-N 365.399 4.567 0 40 FJAB C[C@@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1(Cl)Cl 36791076 MIEJSVKEIFWVJI-GWCFXTLKSA-N 350.698 4.577 0 40 FJAB CC(C)[C@@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1cccs1 39983337 RAUCFDPRAFWQTN-SCLBCKFNSA-N 373.547 4.932 0 40 FJAB O=C(CCCc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccccn1 40141282 KZSLNGKFNKIRGA-JOCHJYFZSA-N 364.876 4.964 0 40 FJAB O=C(NCc1ccccc1-n1ccnc1)c1cc2c(ccc3ccccc32)o1 44884504 UOYWNLNNNOEYLS-UHFFFAOYSA-N 367.408 4.702 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)N1CC=C(c2ccc(O)cc2)CC1 57839920 NHEDRPGBKAOOHY-UHFFFAOYSA-N 362.256 4.557 0 40 FJAB C[C@@H](NCC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 57854139 HXDMCKICWVCTJW-ZIAGYGMSSA-N 356.853 4.614 0 40 FJAB Cc1cccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 59475304 XYNLMGMINSYCOF-SOFGYWHQSA-N 350.245 4.510 0 40 FJAB FC(F)(F)COc1cccc(CSc2ncn(-c3ccccc3)n2)c1 59833543 PCUSHFJCOMVWHY-UHFFFAOYSA-N 365.380 4.501 0 40 FJAB CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215503 VZSSDYRAXVOMDY-GOSISDBHSA-N 359.514 4.923 0 40 FJAB CC(C)c1ccc([C@@H]2CC(=O)c3sc(Br)nc3C2)cc1 85389974 VGTWSCJPSABIMD-LBPRGKRZSA-N 350.281 4.942 0 40 FJAB O[C@H](Cn1/c(=N\C2CCCCC2)sc2ccccc21)c1ccccc1 100503440 OOZYUQBAOMMERQ-XKXPVHLMSA-N 352.503 4.670 0 40 FJAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)Cc1cccc3ccccc13)n2C 100819146 SAOCCPFKIUQZOA-GHVJWSGMSA-N 360.482 4.680 0 40 FJAB CC(=O)c1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 101089699 XHRMPMKMSQEUBU-GAJHUEQPSA-N 366.505 4.852 0 40 FJAB O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 102729845 ZTRBOBVGGNZMJG-LCNPMUCSSA-N 358.485 4.875 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 138887396 YNYCQBZQHPSPSA-CYBMUJFWSA-N 351.368 4.524 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218972032 CSOZGTIZVLNQTI-KRWDZBQOSA-N 359.425 4.632 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223854964 HDNLLCSOJIMCEM-IAGOWNOFSA-N 351.490 4.773 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 224443094 JDVITRFZBOUNBP-KRWDZBQOSA-N 352.261 4.510 0 40 FJAB COC(=O)c1cc(NC(=S)NC2CCCCCCC2)ccc1Cl 225517595 RUHXSYQCEBFUHH-UHFFFAOYSA-N 354.903 4.526 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1ccnc(-c2cccs2)c1 225651768 PKHCHNVSKUKXGI-UHFFFAOYSA-N 358.466 4.822 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccccc1C 225759477 NNZLBNPYNRXGKR-QGZVFWFLSA-N 365.502 4.990 0 40 FJAB CC(=O)N1N=C(c2cc(C)oc2C)C[C@@H]1c1cccc(Cl)c1Cl 226817900 IABRXVYSFPHECJ-MRXNPFEDSA-N 351.233 4.901 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1F 408573765 OAZHYSHBNGNJGV-ACCUITESSA-N 366.417 4.612 0 40 FJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1 408671895 UJRXNZIVGXPYGJ-IBGZPJMESA-N 371.436 4.621 0 40 FJAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCCC1 409003539 SNYOARUPEBVUAH-PXNSSMCTSA-N 374.525 4.557 0 40 FJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)cc1 409249693 NZZBAPIOBVGKAM-PXLXIMEGSA-N 368.436 4.755 0 40 FJAB O=C(NC1CC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 673055 MKFCMILGIPRINR-UHFFFAOYSA-N 367.246 4.557 0 40 FJAB Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1 714002 WWDHNGBKXSXAFO-RCCKNPSSSA-N 369.420 4.919 0 40 FJAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(Cl)ccc3Cl)nc2C1 795401 STPJVMHCSCAGID-UHFFFAOYSA-N 369.273 4.857 0 40 FJAB c1ccc(-n2nc3c(c2OCCN2CCCC2)CCCc2ccccc2-3)cc1 1729462 WUKPLRBLPUKDLI-UHFFFAOYSA-N 373.500 4.503 0 40 FJAB FC(F)(F)c1ccncc1-c1noc(-c2cc(Cl)nc(Cl)c2)n1 2155545 RJXVHGOFDJSROK-UHFFFAOYSA-N 361.110 4.519 0 40 FJAB O=C1c2cccc(OCc3ccc(F)cc3)c2CCN1Cc1ccccc1 2716320 VACAZYQVEDLRNR-UHFFFAOYSA-N 361.416 4.603 0 40 FJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 4078503 MBVHKKVMLDCWMK-QGZVFWFLSA-N 357.251 4.537 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccc(C)cc2O3)cc1 4105318 PMMAAHFVXNTUAY-UHFFFAOYSA-N 358.397 4.914 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3C)ns2)c1 4167441 IQWBPATUCROAKD-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB Cc1ccccc1C(=O)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 4315759 WDVHNNUPWLODHM-UHFFFAOYSA-N 371.893 4.561 0 40 FJAB COc1ccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)cc1 4666678 AYEXSVOHERTIII-OVCLIPMQSA-N 372.399 4.704 0 40 FJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3C=C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4666783 KHEZIAQMLFFOSK-YJHZYBMJSA-N 358.522 4.942 0 40 FJAB CCCCCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887745 KDJMVGDPIDRSFZ-NNWRFLSQSA-N 350.458 4.876 0 40 FJAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 5213479 FMBBHTNSFSZGFS-UHFFFAOYSA-N 370.821 4.732 0 40 FJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(C(C)(C)C)cc1)CC2 5428149 KXMHNXWUXBEZDH-HNNXBMFYSA-N 367.489 4.761 0 40 FJAB COc1cccc(-c2nc(Oc3ccccc3F)c3ccccc3n2)c1O 5574018 FMGGCOCWGYQPFJ-UHFFFAOYSA-N 362.360 4.942 0 40 FJAB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 6312953 IQLXTRDOOAXIAR-RVDMUPIBSA-N 372.346 4.816 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)OCc1cn2cc(Cl)ccc2n1 6972198 GTNGYHKIWNIHQT-UHFFFAOYSA-N 367.836 4.535 0 40 FJAB CCOc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 7094329 TXUFFMSSVDQVNC-UHFFFAOYSA-N 353.846 4.750 0 40 FJAB CC(=O)c1sc(NC(=O)c2ccc(F)cc2F)nc1-c1ccccc1 7799989 JXIZDTKWYUAZFE-UHFFFAOYSA-N 358.369 4.543 0 40 FJAB COc1ccc(CCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 7984139 FNXLGQMILKWNPV-UHFFFAOYSA-N 366.486 4.622 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 8269537 ZTTITNAYAJNDPW-UHFFFAOYSA-N 357.759 4.857 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)c1nc(Cl)ccc1Cl 8726893 PTQKARYAGNHIGT-UHFFFAOYSA-N 350.249 4.631 0 40 FJAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)oc2c1C 8869090 NDNOYZOPBVVKEA-UHFFFAOYSA-N 361.319 4.681 0 40 FJAB Cc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)c(C)c1 9044307 LOFLDMZRIDDPSL-UHFFFAOYSA-N 368.440 4.756 0 40 FJAB CCc1ccc2c(c1)c(C)c(C(=O)NCCc1c[nH]c3ccccc13)n2C 9264114 YXYHUZOSVKEZSA-UHFFFAOYSA-N 359.473 4.503 0 40 FJAB O=C(CSc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 9581623 MJQMLDILQBZQMK-UHFFFAOYSA-N 368.483 4.731 0 40 FJAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c(F)c1 9677635 KECQJZKIYWYPCY-UHFFFAOYSA-N 367.399 4.590 0 40 FJAB CCCCCOc1ccc(C(=O)CCC(=O)Nc2ncc(C)s2)cc1 10555962 AKYNQHLNPGLQNT-UHFFFAOYSA-N 360.479 4.622 0 40 FJAB Fc1ccc(CN(CCCn2ccnc2)Cc2cccc3cccnc23)cc1 12146935 FCZFDCXDMBJZSV-UHFFFAOYSA-N 374.463 4.663 0 40 FJAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc(Cl)c2)no1 12882970 VFYXKNILKYSFAU-UHFFFAOYSA-N 359.838 4.576 0 40 FJAB COc1ccc(NC(=O)c2cc(F)ccc2F)cc1Cc1ccccc1 12996458 OTTUGCSAJWDSGU-UHFFFAOYSA-N 353.368 4.817 0 40 FJAB Oc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 13122247 DCNNGRWVSZGDQX-UHFFFAOYSA-N 352.397 4.993 0 40 FJAB Cc1ccccc1-c1cc(C(=O)N2CCCCC2)c2cnn(C(C)C)c2n1 14202696 DNJQAKRIGAQOGL-UHFFFAOYSA-N 362.477 4.614 0 40 FJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 14400357 MEUAFOJICMFKBC-UHFFFAOYSA-N 359.469 4.911 0 40 FJAB CCCCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(CCCC)c2C)c1 14405518 XQHOILSNVWRUPE-UHFFFAOYSA-N 370.497 4.681 0 40 FJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCCc2ccccc2)cc1 14668906 QFYJXEIOQQBAJW-GOSISDBHSA-N 361.441 4.714 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)c(C)c1 14695515 PCQFKYWUKWCEOW-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB O[C@H](CNCc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 16477461 MJJUSDQUAMQZRG-JOCHJYFZSA-N 367.876 4.742 0 40 FJAB Cc1ccc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Cl 18182462 XFGXYYYXKYBCPY-HNNXBMFYSA-N 364.898 4.923 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1cc(Cl)ccc1N1CCCCC1 19205042 ZOXNAQNNVKRAQU-UHFFFAOYSA-N 369.852 4.653 0 40 FJAB Cc1csc([C@@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@@H](C)O3)n1 19240238 CYHJYUDJHSLAKL-RDTXWAMCSA-N 370.543 4.910 0 40 FJAB COc1cccc([C@H]2CCCN2Cc2c(C)nc3ccc(Cl)cn23)c1 19715703 WHSYIMZOINRODI-GOSISDBHSA-N 355.869 4.642 0 40 FJAB Cc1ccc(C)c(NC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 20808418 AEWUFZUDDXWTLY-UHFFFAOYSA-N 357.417 4.657 0 40 FJAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1cccc(Br)c1 22250537 OCSUMKHOCNDFCU-SNVBAGLBSA-N 368.658 4.602 0 40 FJAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 22259232 VBWHKNSKKAQTRF-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1cccc(Cl)c1 27578928 YFZMGQTWTXSOPH-HNNXBMFYSA-N 366.848 4.805 0 40 FJAB CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220714 CSMOUCKAIVJUJI-GOSISDBHSA-N 356.897 4.753 0 40 FJAB O=C(c1ccccc1Nc1ccccc1)N1CCO[C@H](c2ccccc2)C1 30765178 YCZLDKBXNAHXFE-QFIPXVFZSA-N 358.441 4.644 0 40 FJAB O=C(COc1ccccc1F)Nc1cccc(-c2nc3ccccc3o2)c1 35586219 MGEMNGIRUOIVLV-UHFFFAOYSA-N 362.360 4.651 0 40 FJAB COc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1-c1cccc(F)c1 66089206 AKXDDTPDQOSSIX-UHFFFAOYSA-N 361.376 4.801 0 40 FJAB Cc1cc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)ccc1F 71326134 VCFNRNHLUPARDM-UHFFFAOYSA-N 369.421 4.788 0 40 FJAB CC(=O)Nc1nc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cs1 71950707 JIRQWWZDSMWYBF-UHFFFAOYSA-N 372.833 4.641 0 40 FJAB Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)n1 71977715 MVFYZSDJFRQYBZ-UHFFFAOYSA-N 360.642 4.809 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2cccnc2Oc2ccc(F)cc2)cc1 82088281 VODZXDFLWAYBNO-AWEZNQCLSA-N 366.392 4.513 0 40 FJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cc1ccc(F)cc1 90593069 QEXNBDSJOXGOPM-UHFFFAOYSA-N 374.868 4.770 0 40 FJAB COC1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 96104505 PDKWGQRBUKMPLN-UHFFFAOYSA-N 366.505 4.852 0 40 FJAB Clc1cccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3)c1 96214651 SIYWCZUMGLFFJI-QFIPXVFZSA-N 354.925 4.971 0 40 FJAB c1ccc(-c2nc(NCCCn3ccnc3)c3oc4ccccc4c3n2)cc1 100540845 ZXPRMDFCJHQDNF-UHFFFAOYSA-N 369.428 4.742 0 40 FJAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2csc(-c3ccoc3)n2)o1 173548491 CAJRMCKNJYGTRC-CXAGYDPISA-N 370.474 4.847 0 40 FJAB Cc1ccc(COc2c(Cl)cc(-c3nnc(N)o3)cc2Cl)cc1 216847365 XDXSWUVLQNXJGH-UHFFFAOYSA-N 350.205 4.513 0 40 FJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cccc(Cl)c1C 222580918 DNOSIIRZJQPRFR-UHFFFAOYSA-N 355.800 4.805 0 40 FJAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1Cl 222583547 SIGPFRKYUPLSHF-UHFFFAOYSA-N 371.799 4.505 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 222856582 YVNRKELEISOLGK-OANVXVOSSA-N 350.245 4.893 0 40 FJAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COC(C)C 224713626 QQQVPEJYFOYMFO-UHFFFAOYSA-N 361.869 4.594 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882892 XETNNVCLQYPXGD-INIZCTEOSA-N 367.367 4.998 0 40 FJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCCC1 225023873 OSZZNBGVCYRHJR-INIZCTEOSA-N 361.551 4.515 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccc(C)cc1 408678114 FSCJICOFUUIDDQ-SFHVURJKSA-N 363.910 4.714 0 40 FJAB COc1ccc(CN(C(=O)c2sccc2Cl)c2ccncc2)cc1 582085602 OFORTSFZWZOUJI-UHFFFAOYSA-N 358.850 4.652 0 40 FJAB CCOc1c(Cl)cc(NC(=O)NCC[C@H]2CC2(F)F)cc1Cl 621454580 GSLVVDFFACZYFR-QMMMGPOBSA-N 353.196 4.559 0 40 FJAB Cc1cccc(OCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 848351 IQFXDOJUJSSNRE-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1415879 YNBACVPURPXVHI-UHFFFAOYSA-N 352.850 4.898 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccco1 1466036 XMIVJOXLFDHAFK-ZHACJKMWSA-N 367.426 4.837 0 40 FJAB O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(-c2ccccc2)cc1 1615004 LGBSCTBSWRQSTB-UHFFFAOYSA-N 362.269 4.782 0 40 FJAB Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1C 2329422 PLVZGFKJKSYQJK-UHFFFAOYSA-N 360.486 4.784 0 40 FJAB CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 2715152 GQBOWLOEDRTNLB-UHFFFAOYSA-N 358.445 4.918 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)c1 2723034 DCCTUYHCVFERRR-UHFFFAOYSA-N 357.866 4.565 0 40 FJAB Cc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1C 3235677 UZKJCMMUQJYUMD-UHFFFAOYSA-N 373.452 4.617 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(SC)ccc1Cl 3433481 PVUWQQPLYHLUIF-UHFFFAOYSA-N 364.850 4.630 0 40 FJAB Cc1[nH]c2ccc(C(F)(F)F)cc2c1CCNC(=O)NC1CCCCC1 3765540 WBPPINLAOYTRJK-UHFFFAOYSA-N 367.415 4.670 0 40 FJAB Cc1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccco1 4310197 DRIDSLFPUCYRSO-UHFFFAOYSA-N 351.431 4.780 0 40 FJAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Br)cc3)nc12 4330865 BQVKDHVSUFVBIG-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2ccccc12 4837924 XTQVWBVGCWJGJR-UHFFFAOYSA-N 364.408 4.826 0 40 FJAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4882326 VKXBMWVFISZRJZ-SEJPIABJSA-N 367.468 4.533 0 40 FJAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Cl)cc2)o1 5213487 CZHCJQIZBNDOJD-UHFFFAOYSA-N 374.849 4.894 0 40 FJAB CC[C@@H](C)Nc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 5307287 UXTSNSCYEGERGY-SNVBAGLBSA-N 356.495 4.610 0 40 FJAB CCOc1cc(C=O)c(Br)cc1OCc1ccc(Cl)cc1 5651955 KJKMLMDPBGRBDA-UHFFFAOYSA-N 369.642 4.893 0 40 FJAB O=C(Oc1ccc(F)cc1)c1cccc2c1Oc1nc3ccccc3nc1O2 5705116 HVEGZPKBSYCIIR-UHFFFAOYSA-N 374.327 4.886 0 40 FJAB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)c1 6255523 IHGVIXAFAQZKAT-CMDGGOBGSA-N 360.413 4.801 0 40 FJAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6288803 LZMFJCNMTGSBBB-UHFFFAOYSA-N 371.742 4.579 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 6810571 NDMQXPWTFVJNQV-UHFFFAOYSA-N 369.848 4.849 0 40 FJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 7620746 WJTWKVCMFCXHSC-LJQANCHMSA-N 369.534 4.514 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cl)c1C 7947216 URMKUIKZFUXIOU-IBGZPJMESA-N 354.837 4.551 0 40 FJAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 7967280 WHSFEYDIYXNECE-UHFFFAOYSA-N 370.449 4.838 0 40 FJAB C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 8168501 BKKHUFJEOZAWJT-NSHDSACASA-N 352.659 4.636 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCc1cccs1 8472358 FXDPYDPLYUQZLL-UHFFFAOYSA-N 353.487 4.668 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2C)o1 8917669 KBZTWCHQZFRGKC-UHFFFAOYSA-N 373.836 4.751 0 40 FJAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)o1 9668889 IBQDFQACPYQUGE-JOCHJYFZSA-N 356.425 4.825 0 40 FJAB CN(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)c1ccoc1 9989163 DMGIVFHCKUKWAY-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB CC(C)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c1 10348391 VQAOJNAMPZMQRX-UHFFFAOYSA-N 354.397 4.955 0 40 FJAB CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ccccc3)cnc21 11055898 LNPGRFXHXDSBLL-UHFFFAOYSA-N 356.429 4.932 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(Cl)cc1 12558463 BYCGKGDCMTVUJX-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB COc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OCC(C)C 12762014 BPAGIZKVFQQATG-UHFFFAOYSA-N 350.418 4.531 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 13692865 NVBSXPYAOVACJW-UHFFFAOYSA-N 351.406 4.991 0 40 FJAB COc1ccc(OC)c([C@H]2S[C@@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 19927728 XODJCZKRRIESPD-LHSJRXKWSA-N 371.502 4.994 0 40 FJAB CCOc1cccc(CNC(=O)CC(c2ccccc2)c2ccccc2)c1 20461607 OREYXYWFFASYDW-UHFFFAOYSA-N 359.469 4.924 0 40 FJAB Cc1cc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc(C)c1Cl 20493513 MAXMEUHLTJLEHY-UHFFFAOYSA-N 352.261 4.648 0 40 FJAB CCc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 22408534 KQYAVIFBHLLEBF-QFIPXVFZSA-N 369.916 4.553 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccco1 22530891 YIBFXWCZJLJDMM-HXUWFJFHSA-N 369.486 4.640 0 40 FJAB c1ccc(CN2CC[C@H](NCc3cccs3)[C@H](c3ccccc3)C2)cc1 34086981 UXYJZCLJPYUZCM-GOTSBHOMSA-N 362.542 4.896 0 40 FJAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OC 35163848 XKWITEJUFOPTLW-UHFFFAOYSA-N 374.637 4.871 0 40 FJAB CC(C)(C)c1cc(NC(=O)Cc2cccs2)n(-c2ccc(F)cc2)n1 36759915 CAIAYXDIGCXWFQ-UHFFFAOYSA-N 357.454 4.552 0 40 FJAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41095284 UAAFSZQLAUDXOC-SCZZXKLOSA-N 356.702 4.504 0 40 FJAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41095289 UAAFSZQLAUDXOC-PSASIEDQSA-N 356.702 4.504 0 40 FJAB CC(=O)Nc1cccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)c1 43654312 CLOUCWWCFLMVAR-SFHVURJKSA-N 357.479 4.760 0 40 FJAB CCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(C)ccc21 57354785 DZZIJPHSVOLRPE-UHFFFAOYSA-N 365.820 4.700 0 40 FJAB C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc2c(c1)CCO2 60863119 ZKEBKADXPMEOSC-LLVKDONJSA-N 359.351 4.757 0 40 FJAB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3cnc4ccccc4n3)n2)c1 72313944 OKAMTLABNGXSLB-FQEVSTJZSA-N 355.445 4.670 0 40 FJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cccc(Cl)c3)o2)n1 79482604 SKWDMXZXNJIVJL-UHFFFAOYSA-N 373.865 4.884 0 40 FJAB O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1ccccc1 95116295 YMTQQVBKLFJPNS-UHFFFAOYSA-N 371.465 4.971 0 40 FJAB CC1=Nc2c(c(O)nn2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)S1 95477181 QLJLTYQCZMCXTO-ZBFHGGJFSA-N 357.479 4.605 0 40 FJAB CC(C)(C)OC(=O)Nc1ccc(Br)cc1OC(F)(F)F 95486398 NPFNWMISBWBSHD-UHFFFAOYSA-N 356.138 4.695 0 40 FJAB Fc1ccc(CN2CCC3(CC2)CCN(Cc2cccc(F)c2)CC3)cc1 96047234 ZHLHPLOHSYXZCY-UHFFFAOYSA-N 370.487 4.843 0 40 FJAB Cc1nc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c(C(C)C)s1 96230951 GSYIBAKJCXDSMO-UHFFFAOYSA-N 370.522 4.594 0 40 FJAB ClC(Cl)(Cl)[C@H]1Nc2ccccc2-c2nc(-c3ccccc3)nn21 97105506 IKQBAMNCCVUXIR-HNNXBMFYSA-N 365.651 4.906 0 40 FJAB COc1ccc(N[P@@](=O)(OCC(F)(F)F)Oc2ccccc2)cc1 100733362 WHCLVFPHHJMRBQ-XMMPIXPASA-N 361.256 4.873 0 40 FJAB Fc1c(F)c(F)c2c(c1F)[C@@H]1C=C(I)[C@@H]2CC1 101048932 HILJQXZQYUOFET-WHFBIAKZSA-N 354.084 4.537 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 101556043 CKVFSNIDYNVDDA-OAHLLOKOSA-N 356.441 4.943 0 40 FJAB O=C1CCc2ccccc2N1Cc1nc(-c2c(Cl)cccc2Cl)no1 113707087 YCOMWGGTKYAKBN-UHFFFAOYSA-N 374.227 4.523 0 40 FJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccccc1Cl 219450996 NMQKPWHXZNOCBB-UHFFFAOYSA-N 364.832 4.872 0 40 FJAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222622788 BMOCAGXSICQZPB-DQLDELGASA-N 374.513 4.770 0 40 FJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 223439430 MBFMZWHLKQIYCN-UHFFFAOYSA-N 355.912 4.788 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 224273502 CVRGRHLWDYUDHO-QGZVFWFLSA-N 367.474 4.618 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1cccc(CN2CCCCC2)c1 224643758 LEHQNNZTXOGLIN-VAWYXSNFSA-N 368.908 4.656 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)Nc2cccc(OC)c2)c2ccccc2O1 225759049 FKCOPQNSSIHTIJ-GOSISDBHSA-N 354.450 4.899 0 40 FJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225883822 BKFVUSQGKZVFKS-OAQYLSRUSA-N 358.482 4.659 0 40 FJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OC(C)C 409100076 PQWLYRXNJBTPND-NTEUORMPSA-N 369.870 4.582 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1cc2ccccc2s1 585147890 GJGITVIBTPSFAT-KRWDZBQOSA-N 363.438 4.625 0 40 FJAB Cc1ccc(-c2cc(C(=O)N3Cc4cccc(C)c4CC3(C)C)n[nH]2)cc1C 1159037396 HANNDEZWVKPFFT-UHFFFAOYSA-N 373.500 4.979 0 40 FJAB CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)ccc21 1628138222 MMXBRQVTUNPQEL-WMQCIHAUSA-N 369.549 4.801 0 40 FJAB CCn1ccc2cc(C[C@H]3CCCN(C(=O)c4ccsc4)CC3)cnc21 2037838720 YDDAKJPPUMPHKU-INIZCTEOSA-N 367.518 4.603 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C/c1cccn(-c2ccccc2)c1=S 707805 GVASNDIHKCIYBY-NBVRZTHBSA-N 358.422 4.551 0 40 FJAB COc1cccc2cc(-c3csc(Nc4cccc(F)c4)n3)c(=O)oc12 856345 LVEVBLNENVGIGT-UHFFFAOYSA-N 368.389 4.808 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccc(C)c1 1028306 JBQOCRNAHLPVOF-UHFFFAOYSA-N 360.413 4.508 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c1 2056541 VNFSWFMRJXPMJF-UHFFFAOYSA-N 368.454 4.650 0 40 FJAB CC(C)[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 2593530 HKKYNQSIQIBIBO-MRXNPFEDSA-N 361.401 4.564 0 40 FJAB COCCNc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 3451538 CFLWLEVJPYRFSC-UHFFFAOYSA-N 359.520 4.659 0 40 FJAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 4151863 RQZLOCYCVKDAJG-HNNXBMFYSA-N 350.414 4.704 0 40 FJAB C/C=C/C(=O)Nc1c(C(=O)Nc2ccccc2OCC)oc2ccccc12 4341995 SHILOHHMQFZWRM-YCRREMRBSA-N 364.401 4.598 0 40 FJAB Cc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2 4539929 GVIHUYCEGNQUQE-UHFFFAOYSA-N 365.245 4.511 0 40 FJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc(Cl)cc1 4888081 TUEOKNBERHQRRE-AYHJJNSGSA-N 374.937 4.717 0 40 FJAB Cc1ccccc1-c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 5434949 HZUYUWPKMNGZEJ-UHFFFAOYSA-N 374.849 4.857 0 40 FJAB Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)c(C)c1 5935492 GLKUIUOFGLMCTL-UHFFFAOYSA-N 367.452 4.844 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1F 6128638 FOFIPKFPQLZXPU-UHFFFAOYSA-N 357.331 4.788 0 40 FJAB Cc1cc(C(=O)CSc2ccccn2)c(C)n1Cc1ccc(F)cc1 6610282 XXMNRZHTPZZXIG-UHFFFAOYSA-N 354.450 4.662 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1 6651401 HWGGDKMDCVFHBM-UHFFFAOYSA-N 354.494 4.960 0 40 FJAB Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@H]2c1cccs1 6679156 NVBRQBVUDMPFAK-GUYCJALGSA-N 369.515 4.714 0 40 FJAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(CC)cc3)[nH]c2c1 7141507 FHFSUJRVJVXBSK-ZDUSSCGKSA-N 369.490 4.643 0 40 FJAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCSc2ccccc21 7988621 KHNWPFHTMKHTCX-CQSZACIVSA-N 354.500 4.582 0 40 FJAB CCc1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 8339260 SDRDEHUOJBXLIO-UHFFFAOYSA-N 369.277 4.814 0 40 FJAB COc1ccccc1[C@H](CCN[C@H]1CCO[C@@H](C(C)C)C1)c1ccco1 9531178 ADZJVPMVUQQIJT-LQBOVUBWSA-N 357.494 4.603 0 40 FJAB CC[C@H](CO)Nc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 12763148 NXHDNNZUJXUDPI-CQSZACIVSA-N 373.547 4.783 0 40 FJAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 12778902 YWQIORNJQDXHOM-BJMVGYQFSA-N 373.836 4.602 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CCCc2c[nH]c3ccccc23)cc1 14707092 VGYKEBBJHFZEAH-MRXNPFEDSA-N 350.462 4.767 0 40 FJAB O=c1ccc2ccc(OCc3csc(-c4ccc(F)cc4)n3)cc2o1 14845514 TUHWQIMQMOWAFC-UHFFFAOYSA-N 353.374 4.635 0 40 FJAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)c(Cl)c1 15517279 CUUHQCJIMMGGQK-CQSZACIVSA-N 374.314 4.509 0 40 FJAB Cc1ccc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)cc1Cl 17120942 LMZOTLPGFSSSFY-UHFFFAOYSA-N 353.788 4.660 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 20038695 MVLGYNQIOSQFLJ-FXAWDEMLSA-N 355.478 4.737 0 40 FJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(=O)O)ccc1Cl 20145257 VYZICIIGKSVWFZ-DHZHZOJOSA-N 367.788 4.950 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 20482673 MSIKWEXEHVNTGO-KRWDZBQOSA-N 357.519 4.813 0 40 FJAB CCc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 22408537 KQYAVIFBHLLEBF-JOCHJYFZSA-N 369.916 4.553 0 40 FJAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(Cl)cc2c1OCOC2 23355431 ZXMUAGMCRUMJFC-NSHDSACASA-N 353.796 4.678 0 40 FJAB COc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)ccc1C 24386145 JKRJLRPNINUCLP-QGZVFWFLSA-N 366.486 4.981 0 40 FJAB COc1ccc(OC)c(-c2csc(NC(=O)CC3CCCCC3)n2)c1 29266452 VEWYIGPZGQGAGC-UHFFFAOYSA-N 360.479 4.736 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(OC(C)C)c1 30847703 MHSHNMLYUQGYJL-FQEVSTJZSA-N 355.478 4.564 0 40 FJAB O=C(CSc1nc2ccccc2s1)N(Cc1ccccc1)C1CC1 32908753 URFPQEKJJQBLIQ-UHFFFAOYSA-N 354.500 4.580 0 40 FJAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2ccccc21 32911103 HKIPYXORCAZWMK-OAHLLOKOSA-N 353.491 4.812 0 40 FJAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2c(F)cccc2F)c1 40040603 SOSGIPVNJCIOHA-UHFFFAOYSA-N 367.355 4.861 0 40 FJAB CSc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 43855927 XVMCGCWALKAISU-UHFFFAOYSA-N 354.475 4.535 0 40 FJAB CN(C)Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 58345373 MFAWIFLTKAJYJZ-UHFFFAOYSA-N 356.897 4.852 0 40 FJAB C[C@H](CC(=O)Nc1nc2c(s1)CCC2)c1ccc(C(F)(F)F)cc1 58369565 FOTBVTTXRDXBFM-SNVBAGLBSA-N 354.397 4.783 0 40 FJAB Cn1cnnc1SCCCCC(=O)c1ccc2c(c1)Cc1ccccc1-2 59488013 JXKUVAUGVZHTSI-UHFFFAOYSA-N 363.486 4.532 0 40 FJAB Cc1cccn2cc(-c3ccc(NC(=O)COC4CCCCC4)cc3)nc12 69352011 WIIBZJQHUDWXFW-UHFFFAOYSA-N 363.461 4.598 0 40 FJAB Cc1ccc(C(=O)NCCCC2(C3OCCO3)CCCCCC2)c(C)c1 75148678 ZWEUEVGOCBWXTF-UHFFFAOYSA-N 359.510 4.527 0 40 FJAB Cc1cccc(Oc2ncccc2NC(=O)c2cn3c(C)cccc3n2)c1C 84219275 FIMKPEVWXRCYLW-UHFFFAOYSA-N 372.428 4.699 0 40 FJAB CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccccc2Cc2ccccc2)CCO1 95992436 BNYIJLPWPQCOGD-SFTDATJTSA-N 366.505 4.993 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 113950650 LPERLDSSSQEPPM-HXUWFJFHSA-N 353.849 4.967 0 40 FJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc(Cl)c4Cl)cn1c23 223094583 VKPCUPDMQKKQDL-JTQLQIEISA-N 373.239 4.678 0 40 FJAB COc1ccc(CN(C)C(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225334242 CPYSKCLGELXCBK-UHFFFAOYSA-N 352.261 4.593 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)n1 225915842 GATRDEOLGNAJDJ-INIZCTEOSA-N 374.488 4.588 0 40 FJAB Cc1cccc(Nc2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)n1 257212625 CEGZWFPUGTVPMC-FQEVSTJZSA-N 359.477 4.651 0 40 FJAB Cc1ccc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 409383848 KVMWNQWUXWXFPE-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)c(OC)c1OC 409411400 WEZAVOCVGZGNQQ-ACCUITESSA-N 369.461 4.796 0 40 FJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 615392310 RIGNPVQUXDGNOW-UXLLHSPISA-N 356.432 4.838 0 40 FJAB CC(C)(C)c1ccc(NC(=O)c2csc(-c3ncccc3F)n2)cc1 1524117583 FNMHGGSVRRUJOE-UHFFFAOYSA-N 355.438 4.894 0 40 FJAB CC(C)OCc1ccc(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)cc1 1525855204 VDRZNYPPYLYPRR-UHFFFAOYSA-N 372.774 4.931 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682446 SSUDHCRSXPITCT-INIZCTEOSA-N 371.436 4.862 0 40 FJAB FC(F)(F)c1cccc(COn2c(-c3ccccc3)nc3ncccc32)c1 1396607 SMIGVPXAZKZANI-UHFFFAOYSA-N 369.346 4.746 0 40 FJAB Cc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 1993320 OSCXZHCEOXLXQX-UHFFFAOYSA-N 373.452 4.617 0 40 FJAB Cc1ccc([C@@H](CC(=O)N2CCCC2)c2ccc(OC(C)C)cc2)cc1 2255829 KPLTYWLSFZJGCN-JOCHJYFZSA-N 351.490 4.927 0 40 FJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Br)cc1 2483858 UVEIPXJCMPPLAS-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccc(C)c(C)c3)s2)cc1 2887797 VHJOPVVSGTTYDF-UHFFFAOYSA-N 365.502 4.710 0 40 FJAB CCC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3265761 PDEREZQJALGODD-LLVKDONJSA-N 361.898 4.967 0 40 FJAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1Oc1ccccc1 3325445 RFJKJPXHVVDKAX-UHFFFAOYSA-N 360.413 4.732 0 40 FJAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 3417135 RXMRRRWFRZTOOL-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(F)cc1Cl 3435532 OAPMCJONBJSJKM-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(Cl)c1OC 3448907 YTFXCXNQJUIOFL-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB CC1(C)OC[C@H]([C@H](c2cc3ccccc3o2)N(O)Cc2ccccc2)O1 3847533 KIMSDIYGKJKODM-UXHICEINSA-N 353.418 4.517 0 40 FJAB biogenic Cc1c(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)nc2ncccn12 4033198 SHBPLOGOKMBBJQ-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB O=C(c1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 4040087 DXXMIUYLXMDARA-MGPUTAFESA-N 365.816 4.631 0 40 FJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)ns2)c(C)c1 4167440 ISPSBLQTNGMJBQ-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB COc1cc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)ccc1O 4571764 RIBRLTFEZDUDCE-QGZVFWFLSA-N 352.415 4.558 0 40 FJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCCOC(C)C 4698835 URWQWBRPIXZTHC-JOCHJYFZSA-N 362.473 4.837 0 40 FJAB CC(=O)Oc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5378997 PQEREYZYBNXQLB-UHFFFAOYSA-N 357.715 4.536 0 40 FJAB CCc1cccc(CC)c1NC(=O)COc1ccc(Br)cc1 5466277 LQFMEFBPOPCLAD-UHFFFAOYSA-N 362.267 4.591 0 40 FJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)C[C@@H](C)CC3 5516126 BZNYYFOOBFIKST-ZDUSSCGKSA-N 355.459 4.667 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1 5612727 NKKJOIPUQSSILK-UHFFFAOYSA-N 358.869 4.575 0 40 FJAB C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5622462 OMORPAMVQZCOET-GHMZBOCLSA-N 355.290 4.746 0 40 FJAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1Cc1ccccc1 7141413 STUZBVSPSYMEBB-GOSISDBHSA-N 356.469 4.667 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 8041550 XJEDYDIYHKUJQF-JOCHJYFZSA-N 351.490 4.634 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 8557415 LGAUMVFFBKGJOK-UHFFFAOYSA-N 352.478 4.765 0 40 FJAB c1ccc(CCc2nnc3sc(-c4cccc5ccccc45)nn23)cc1 9053511 VWBJGDNAZXMBBZ-UHFFFAOYSA-N 356.454 4.791 0 40 FJAB O=C(CNc1ccccc1SC(F)F)Nc1ccccc1OC(F)F 9322689 FXGSOWUMYGQKOW-UHFFFAOYSA-N 374.359 4.653 0 40 FJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccncc4)nnc3s2)cc1 9576425 NFDPDHFJMNXNTQ-CQSZACIVSA-N 363.490 4.598 0 40 FJAB Cc1c([C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc2n1C 9668890 ULVFRCPNISSFTA-QFIPXVFZSA-N 356.425 4.825 0 40 FJAB CCCOc1cccc(C(=O)N(Cc2cccs2)c2ccccn2)c1 11917184 OSGUCDVDHVPVPB-UHFFFAOYSA-N 352.459 4.779 0 40 FJAB CC(C)c1cc(C(=O)Nc2cc(F)cc(F)c2)c2cnn(C(C)C)c2n1 12780293 CXDVCLWBJIGYIS-UHFFFAOYSA-N 358.392 4.666 0 40 FJAB CC(C)(C)c1nc(CSc2nc(-c3ccco3)nc3ccccc23)no1 12914839 DFCIIIFQYSWRBU-UHFFFAOYSA-N 366.446 4.863 0 40 FJAB Cc1cccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1C 12986211 HYXGMJZOZRYOLF-HNNXBMFYSA-N 353.491 4.545 0 40 FJAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(OCc2ccccc2Cl)cc1 13687564 GZOIADSRYIUVIJ-NBQZKYEYSA-N 355.865 4.837 0 40 FJAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 13845409 IWBIFJLCZFJFQS-HDICACEKSA-N 353.805 4.588 0 40 FJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 14095546 GYRATOFOFKXGDC-LJQANCHMSA-N 361.489 4.509 0 40 FJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 14701488 FCGXRCQUNSURLW-LBPRGKRZSA-N 359.857 4.738 0 40 FJAB Brc1ccc(SCc2nc(-c3ccsc3)no2)cc1 15801256 PBQGYJDCKKCFPO-UHFFFAOYSA-N 353.266 4.853 0 40 FJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(-c2ccccc2)[nH]n1 17917351 NHTCZMVTMMUHRN-UHFFFAOYSA-N 360.244 4.656 0 40 FJAB O=C(CCc1ccccc1F)Nc1nnc(SCc2ccccc2)s1 21954228 OPKGMLFORBRFCV-UHFFFAOYSA-N 373.478 4.541 0 40 FJAB CC(=O)N1C(=O)N=C(O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 26458841 DRYLQJTXKDYGDU-NTUHNPAUSA-N 365.172 4.533 0 40 FJAB CCOc1ccccc1C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28303467 IHYHYBICLNYJQN-UHFFFAOYSA-N 371.440 4.736 0 40 FJAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 29471347 SHWBGBBVDPYUAA-UHFFFAOYSA-N 367.424 4.790 0 40 FJAB CCOc1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1OCC 30854032 BECWHBBDIQQQGV-UHFFFAOYSA-N 355.478 4.981 0 40 FJAB CCn1c(SCCOc2ccccc2)nnc1-c1cc2ccccc2o1 35655273 BVTQCKFOEVOQCT-UHFFFAOYSA-N 365.458 4.882 0 40 FJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(F)c(Cl)c3)c2c1 38487346 MCWVWHOTQBJKGG-UHFFFAOYSA-N 374.799 4.956 0 40 FJAB Fc1ccc(-c2nc(CSc3ccc(Br)cc3)no2)cc1 40012143 BFQWFYMJSSUBAV-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 40104680 AHNSPZPJBOGGNK-UHFFFAOYSA-N 371.456 4.864 0 40 FJAB O=C(Nc1ccccc1Cl)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140097 QKXKEICNTDYRCQ-UHFFFAOYSA-N 373.790 4.545 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc(C)c1Cl 44841185 IAVFEQCGVHMUFK-KXBFYZLASA-N 357.881 4.918 0 40 FJAB CC(C)C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 44936973 ZPLWICLHJSCDBJ-JOCHJYFZSA-N 350.506 4.800 0 40 FJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NC1CCCCCC1 71326468 MCVHRPQDBLWQAJ-UHFFFAOYSA-N 357.523 4.559 0 40 FJAB Cc1ccc2nc(C)c(C(=O)Nc3ccccc3Oc3ccccc3)n2c1 71459206 WYQARYJYPMCRFG-UHFFFAOYSA-N 357.413 4.996 0 40 FJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72214488 GTAFWVWAHRFTSZ-LJQANCHMSA-N 367.493 4.790 0 40 FJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 78459030 POYGBWKJCYHRCP-IRXDYDNUSA-N 355.478 4.772 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881948 CVZJPEMWOTXBRW-OAHLLOKOSA-N 353.340 4.690 0 40 FJAB CCOc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1C 225434147 RZWRYDNVKBUFKQ-UHFFFAOYSA-N 363.910 4.710 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 225573433 PJYRBMDPVYVZQS-UHFFFAOYSA-N 371.452 4.692 0 40 FJAB CC(C)COc1ccc(NC(=O)C(C)(C)Br)c2ccccc12 225787294 ODVKBPDANOVPEY-UHFFFAOYSA-N 364.283 4.987 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1Cl 225793661 RIWFGCXFHMCEKE-UHFFFAOYSA-N 372.255 4.935 0 40 FJAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1ccccc1 256028098 SVHZOXTXUQKLRS-UHFFFAOYSA-N 374.396 4.516 0 40 FJAB O=C(c1ccccc1Br)N1CC[C@H](c2ccc(Cl)cc2)C1 521931116 RJSYCWNDRKDBKX-ZDUSSCGKSA-N 364.670 4.732 0 40 FJAB CC1(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CCOCC1 588358766 GNBZCGFAYAWALA-UHFFFAOYSA-N 370.396 4.584 0 40 FJAB Cc1ccsc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615158542 QVQMEYPJFUFWQT-NRFANRHFSA-N 372.509 4.859 0 40 FJAB COc1ccc(Oc2ccc(CNC(=O)/C=C/c3cccs3)cc2)cc1 1775975976 NHSFDBYSBPBFRN-OUKQBFOZSA-N 365.454 4.879 0 40 FJAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)[C@H]2C)cc1OC 689656 WYBOVISLCPAJFV-DJEJFTSGSA-N 356.462 4.681 0 40 FJAB biogenic CCc1nc2sc(C(=O)c3ccc(C)cc3)c(N)c2c2c1CCCC2 1259868 FCAZXMGTYKFHDO-UHFFFAOYSA-N 350.487 4.859 0 40 FJAB CC(=O)Nc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 1277692 NLRVWNHAPPVTTC-UHFFFAOYSA-N 371.396 4.753 0 40 FJAB COc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2ccccc2)c1 2556186 YNZXZSPSRYLTNW-DHIUTWEWSA-N 360.409 4.597 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 4784122 MBSFYBWSWOWSRM-UHFFFAOYSA-N 352.459 4.773 0 40 FJAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccccc1 4854167 QQUWJKDXZFVXEN-LJQANCHMSA-N 351.837 4.779 0 40 FJAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 5012203 JTAUVSUZBAFPFG-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2O)C12CCCC2 5813227 NYVXYAIMMDFVDW-UHFFFAOYSA-N 365.502 4.937 0 40 FJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 6504512 IJHBVASSACHYOS-UHFFFAOYSA-N 359.469 4.911 0 40 FJAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(OC)cc32)cc1 6600834 YRYLUJMLGNKHJI-UHFFFAOYSA-N 371.440 4.528 0 40 FJAB O=C(Nc1nonc1-c1ccc(F)cc1)C(c1ccccc1)c1ccccc1 6670216 RFEVOXMPSCIXFP-UHFFFAOYSA-N 373.387 4.646 0 40 FJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(Cl)c1 8343843 GBCRFZDGOAATHA-UHFFFAOYSA-N 356.809 4.776 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 8790831 IDYLWECMDCLSRI-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccccc1 9188071 ZKFTYMQQZWQOPB-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C 9281326 IFODBBBQXLFZFJ-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10339054 QLJAXHFPRQVXKY-KRWDZBQOSA-N 366.505 4.910 0 40 FJAB Cc1ccnc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c1 12550331 ZPQMFYOPPCVWKF-UHFFFAOYSA-N 370.412 4.668 0 40 FJAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 12767548 IFPAABXFFAVATO-OAHLLOKOSA-N 366.465 4.543 0 40 FJAB COc1cc(OC)cc(C(=O)N(Cc2cccs2)Cc2cccs2)c1 12950326 JYTYIBGSZSNESF-UHFFFAOYSA-N 373.499 4.669 0 40 FJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)cccc2C)cc1 12987346 NIYSMEOVXITJQH-OAQYLSRUSA-N 366.505 4.868 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1Cl 13709110 ZKDYIAUUCSPBAF-ZDUSSCGKSA-N 355.821 4.908 0 40 FJAB Cc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c1 13924861 YVCVZZJEYAFNQJ-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB COc1ccc(OC)c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 15083331 FNIRVXXHPACWHW-UHFFFAOYSA-N 365.813 4.963 0 40 FJAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(F)c(Cl)cc1Cl 15615005 PKSUUKXABXNBEA-UHFFFAOYSA-N 367.207 4.512 0 40 FJAB COc1cccc(CCC(=O)Nc2ccc(Cl)cc2Cl)c1OC 19171166 JNVGBKFDXHEJJG-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1Cc1nc(-c2cccnc2OC2CCCCC2)no1 19496083 VIVGZCFEEOYASN-HZPDHXFCSA-N 370.497 4.606 0 40 FJAB C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)N(c2ccccc2)c2ccccc2)C1 19823685 OGXXNCFSMLNHCZ-OALUTQOASA-N 364.489 4.636 0 40 FJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1)C3 20403902 QFLIILMFOKQWEB-UHFFFAOYSA-N 369.848 4.751 0 40 FJAB CCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 21149736 OEQPGMWZXXHDQR-CYBMUJFWSA-N 358.507 4.945 0 40 FJAB C[C@@]1(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1(Cl)Cl 24470622 AXUXMCQZTIOBBC-ZDUSSCGKSA-N 352.183 4.569 0 40 FJAB COc1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3)cc2)c1 28908083 FJPIZGNHGUVEQL-MRXNPFEDSA-N 362.429 4.927 0 40 FJAB COc1cc(CO)cc(Br)c1OCc1ccc2ccccc2c1 34772790 ISHVASRVEWGXIK-UHFFFAOYSA-N 373.246 4.682 0 40 FJAB COC(=O)C(C)(C)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)C(C)C 38337886 LGRKVQHBAVAQII-IBGZPJMESA-N 351.446 4.597 0 40 FJAB CC(C)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2cnn(C(C)C)c2n1 44892594 UYBOZPCFYNEHAV-UHFFFAOYSA-N 361.449 4.869 0 40 FJAB Cc1noc(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1 49027598 BDVQCLSICMUOOW-UHFFFAOYSA-N 362.311 4.708 0 40 FJAB CCCCOc1ccc(C(=O)Nc2ccc3c(C)c(C)c(=O)[nH]c3c2)cc1 49472279 UYWGUROZZXROLG-UHFFFAOYSA-N 364.445 4.576 0 40 FJAB CC(=O)Oc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 64220238 WKGXJOYMPKFNFT-UHFFFAOYSA-N 354.715 4.623 0 40 FJAB Cc1cccc(-c2nnc(C3(c4ccccc4Cl)CCOCC3)o2)c1 71889903 RESLSYGAXAGBPT-UHFFFAOYSA-N 354.837 4.795 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213808 ITXVKPFLHQHDFK-LJQANCHMSA-N 351.450 4.520 0 40 FJAB COc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348931 KKVSWUGRTVSHIQ-LJQANCHMSA-N 359.473 4.532 0 40 FJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1ccccn1 72402831 JRKSZRLMWJGFBW-CQSZACIVSA-N 365.260 4.539 0 40 FJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 77200109 XCFWNIRFZVNQBC-HZPDHXFCSA-N 372.852 4.630 0 40 FJAB CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2Cc2ccccc2)CCO1 95992435 BNYIJLPWPQCOGD-LEWJYISDSA-N 366.505 4.993 0 40 FJAB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 223735142 OWCWDZCWLSOXPC-UHFFFAOYSA-N 363.548 4.527 0 40 FJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(C)c(C)c1 224617643 YYUDRPJPPVKZSD-UHFFFAOYSA-N 355.478 4.809 0 40 FJAB CC(C)Oc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224944546 QDLBIWQCHUSDCY-UHFFFAOYSA-N 374.289 4.606 0 40 FJAB CC(C)c1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 225318226 VWADEUPPOSHOMF-QNGOZBTKSA-N 374.440 4.813 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225373180 RTDXOCJGGXEYLU-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccccc3)cc2)cc1 225532744 DKNJTZCQNWRGBY-UHFFFAOYSA-N 366.461 4.891 0 40 FJAB COc1cc(C)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C(C)C 225663649 VDZGJDPLXYUBKW-UHFFFAOYSA-N 366.461 4.506 0 40 FJAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(OC2CCCC2)cc1 225784082 PHZMVXLTQMCDLD-MRXNPFEDSA-N 370.518 4.762 0 40 FJAB COc1ccc(Oc2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)cc1 408677503 RCZFCLQJWJAZFW-UHFFFAOYSA-N 350.418 4.695 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 408783197 LXLFQCWHGBDSIE-FNGUVFISSA-N 352.503 4.972 0 40 FJAB CSc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@@H]4C)n2n1 575473082 FUNGTFRKXCWQIR-LBPRGKRZSA-N 353.495 4.519 0 40 FJAB Cc1ccc(OC2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 604849977 DMXFJGRZPBQCOM-UHFFFAOYSA-N 364.272 4.985 0 40 FJAB Cc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c(C)c1 840989 QLPNULIVWFJSAP-UHFFFAOYSA-N 361.441 4.900 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1Cl 953133 MLQAFQFRSWSNJW-NSHDSACASA-N 354.233 4.716 0 40 FJAB Cc1cccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 991682 CAVOKIHNHUHBCN-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 1385918 WBKOQNOETNTRNU-INIZCTEOSA-N 362.260 4.997 0 40 FJAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(Br)cc1 1397304 FMMTWTBXGBHVFS-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB COc1ccc([C@H]2NCc3c(sc4c3CCCC4)-n3cccc32)cc1 1609104 YBWUFNOXFGTPPO-HXUWFJFHSA-N 350.487 4.619 0 40 FJAB CCOP(=O)(OCC)[C@H]1c2ccccc2-c2ccc(NC(C)=O)cc21 1682481 CYKDLPIAXMIDQK-IBGZPJMESA-N 359.362 4.981 0 40 FJAB Cc1cccc(-c2nsc(SCC(=O)Nc3cc(C)ccc3C)n2)c1 2917504 NPDDQJCDBRBAQZ-UHFFFAOYSA-N 369.515 4.861 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2oc3c(c2c1)CCCC3 3503935 MZGKYIYGKOZGKK-HNNXBMFYSA-N 361.441 4.668 0 40 FJAB O=C(C=Cc1ccc(OCCCl)cc1)c1ccc(OCCCl)cc1 4267819 YKIOVSIYPURDOC-UHFFFAOYSA-N 365.256 4.818 0 40 FJAB biogenic COc1cccc(OC)c1C(=O)Nc1nc2ccc(C(C)C)cc2s1 4325836 LTBCKBQSFPKWNE-UHFFFAOYSA-N 356.447 4.689 0 40 FJAB Cc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 5960473 NUDPFVSKEYTFKT-UHFFFAOYSA-N 350.418 4.978 0 40 FJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(C)s2)cs1 5974186 OHCVEYDCAOYRHO-UHFFFAOYSA-N 372.471 4.555 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)COc2ccccc2F)cc1 6267330 GPGGNPOTFHATKI-UHFFFAOYSA-N 351.377 4.944 0 40 FJAB COc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)c(OC)c1 6587859 ASAFVNFRIKLSQG-UHFFFAOYSA-N 353.443 4.535 0 40 FJAB COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1 6810607 VAMMGEZRTYVTPA-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB Cc1c(NC(=O)NC2CCCCC2)cccc1NC(=O)NC1CCCCC1 6921320 KYQAFJBALHNAJJ-UHFFFAOYSA-N 372.513 4.903 0 40 FJAB O=S(=O)(Nc1ccccc1SCc1ccccc1)c1ccccc1 7709848 PDBLLKFYCDVMOX-UHFFFAOYSA-N 355.484 4.780 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 9137094 CULDUQQMWOMJMC-UHFFFAOYSA-N 356.853 4.672 0 40 FJAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccncc3)ccc12 9420199 ZGFQESPDYCSXNB-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1F 9659993 MAAUPTGPTGUBED-UHFFFAOYSA-N 359.356 4.851 0 40 FJAB biogenic C[C@H](CNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 10638964 JWWFZFAFWMXCMG-LLVKDONJSA-N 363.795 4.618 0 40 FJAB Cc1ccc(-c2csc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n2)cc1 12617436 RMBGWWVZCJUZRI-KRWDZBQOSA-N 370.861 4.714 0 40 FJAB Cc1ccc(C)c(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1 12918662 PGHRYBMWGOXKMD-UHFFFAOYSA-N 360.860 4.699 0 40 FJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OC(F)F 14604221 KBVSPURMTAACBS-UHFFFAOYSA-N 374.309 4.625 0 40 FJAB COc1ccc(Br)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1 14668731 JJYOLZZZGPJZGD-UHFFFAOYSA-N 368.658 4.980 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14739529 LMVPTAZPKSJDOQ-OAHLLOKOSA-N 370.880 4.763 0 40 FJAB CCN(c1ccc(-c2nc3ccccc3c(C)c2Cl)cc1)S(C)(=O)=O 15453955 DNVDWOQMMMBDGO-UHFFFAOYSA-N 374.893 4.650 0 40 FJAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cc(C)sc3C)C2)on1 19120740 KLEZSDSQLDNYOJ-CQSZACIVSA-N 374.535 4.559 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(Cc4ccccc4)nc32)cc1 21801207 AXAABAJMILZYTD-UHFFFAOYSA-N 367.456 4.584 0 40 FJAB C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc(-n2ccnc2)cc1 23080758 BEKJRBAMNBXYDF-GPZRYRNASA-N 367.452 4.916 0 40 FJAB CCOc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1Cl 27663183 XYXJDYXJFMWJDJ-UHFFFAOYSA-N 360.266 4.619 0 40 FJAB COc1cccc(N(Cc2cccs2)C(=O)c2ccccc2OC)c1 27739935 PERKYSRUQQUICT-UHFFFAOYSA-N 353.443 4.612 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)n1 27970365 PBWPMRVVUKUGKN-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB C[C@H](NC(=O)c1ccccc1SCc1cscn1)c1ccccc1 30797934 BIORQUIKADNAEB-AWEZNQCLSA-N 354.500 4.926 0 40 FJAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1cccs1 32916395 YQUWMTJXXNWBKR-AWEZNQCLSA-N 361.891 4.606 0 40 FJAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccccc1 36092679 RJQBZQVPLDKKEY-PGRDOPGGSA-N 350.506 4.800 0 40 FJAB CCN(C(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1ccccc1C 36716839 BJPDJYLJWXRTFE-UHFFFAOYSA-N 361.401 4.766 0 40 FJAB CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1F 40097392 YMWPLNHAGRTVJI-UHFFFAOYSA-N 373.172 4.530 0 40 FJAB Cc1c(C(=O)N(Cc2ccc(F)cc2)C2CC2)oc2c1C(=O)CC(C)(C)C2 40114984 UISCXMQAFNPDEN-UHFFFAOYSA-N 369.436 4.687 0 40 FJAB Cc1nc(Cc2nnc(SCc3csc4ccccc34)o2)cs1 40154962 JZWJUAFCZUQGSJ-UHFFFAOYSA-N 359.501 4.932 0 40 FJAB C[C@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)[C@@H]1C 40387702 UMHHCJGRDWHUNG-YRNRMSPPSA-N 372.472 4.708 0 40 FJAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 41001950 XBKOIIHYSOYUQC-UHFFFAOYSA-N 363.461 4.959 0 40 FJAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2ccccc2F)C1 49547464 ZIVSIDFRUNTXKO-OAHLLOKOSA-N 355.800 4.848 0 40 FJAB O=C(CSCCCc1ccccc1)Nc1ccc(Br)cc1 58014149 MUFWVAYVGUIZOT-UHFFFAOYSA-N 364.308 4.754 0 40 FJAB Cc1ccc(Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(C)c1 64667722 CIJINQPTFTUZBH-UHFFFAOYSA-N 364.445 4.929 0 40 FJAB CC(C)c1ccc(C(=O)Nc2cc(N3CCCC3)c(N)cc2Cl)cc1 72229187 MWGDSHQNJYNURQ-UHFFFAOYSA-N 357.885 4.898 0 40 FJAB O=C(CCc1cccs1)NCc1nc(-c2ccc(Cl)cc2)cs1 72243350 XIHDIGHLYRQVFL-UHFFFAOYSA-N 362.907 4.774 0 40 FJAB CC(C)(C)OC(=O)N1CCC(CNc2ccc(C(F)(F)F)cc2)CC1 89212608 OHWGEUORKMDLSM-UHFFFAOYSA-N 358.404 4.764 0 40 FJAB COc1ccc(C2=NN3[C@@H](CC(C)C)Oc4ccccc4[C@H]3C2)cc1OC 102737834 SLVINDWNJXCQHR-XMSQKQJNSA-N 366.461 4.620 0 40 FJAB CCOCc1ccc2oc(-c3ccc(N(CC)CC)cc3)c(O)c(=O)c2c1 103782096 QQLWJDDLIUDSGQ-UHFFFAOYSA-N 367.445 4.548 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)ccc1Cl 113968989 SKVNCHKQIIPXRH-HNNXBMFYSA-N 361.869 4.519 0 40 FJAB COc1ccc(CCC(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 211079912 NPBKOQHZKKJLBG-LJQANCHMSA-N 355.453 4.563 0 40 FJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219291481 VCNFZFJFQVGKKS-GUYCJALGSA-N 359.853 4.526 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc2ccccc2c1 223623713 IDABUTRQRORBRQ-UHFFFAOYSA-N 371.436 4.810 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1C 224459483 DZIMVBCOGFBIGR-NRFANRHFSA-N 363.457 4.501 0 40 FJAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C(=O)c2cccc3cccc1c23 408545618 LQBNLMWSWAIMBJ-OAHLLOKOSA-N 366.420 4.980 0 40 FJAB Cn1ccnc1[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cccc(F)c1 534235617 OJVFVZDRJIVFCH-UXHICEINSA-N 369.871 4.969 0 40 FJAB Cc1cc(C)c2nc(SCC(=O)Nc3nc(C)c(C)s3)c(C)cc2c1 932954 MJOZVZWTPUHKCE-UHFFFAOYSA-N 371.531 4.964 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1Cl 1029815 LIBGLWHGDHSGPW-SXGWCWSVSA-N 358.850 4.754 0 40 FJAB FC(F)(F)Oc1ccc(-c2nnc(S)n2-c2ccc(Cl)cc2)cc1 1047840 TZPBZNGSJVMQCO-UHFFFAOYSA-N 371.771 4.775 0 40 FJAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C 1250537 NJXUGQDBNKFARF-UHFFFAOYSA-N 359.433 4.575 0 40 FJAB Cc1ccc(SCc2nc3nc(C)cc(C)n3c2Br)cc1 1303297 RTFGSUUVTYFJRD-UHFFFAOYSA-N 362.296 4.709 0 40 FJAB COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1 1340815 NQICQTZOWGIWQZ-GJZGRUSLSA-N 364.493 4.504 0 40 FJAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCCC3)C(=O)c1ccccc1 2195449 UNEKKUFDUKADPZ-HNNXBMFYSA-N 362.425 4.712 0 40 FJAB O=C1O[C@@](Oc2cccc3cccnc23)(c2ccccc2)c2ccccc21 2746100 WLISZKJCOSQAAA-QHCPKHFHSA-N 353.377 4.685 0 40 FJAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(C)cc1 3765497 FACLDCXHBHMMFQ-QHCPKHFHSA-N 355.441 4.923 0 40 FJAB C[C@@H]1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1 4212735 YLRNESBGEGGQBK-GOSISDBHSA-N 359.510 4.819 0 40 FJAB in-man COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 4659545 XDDJOWNZQRYTEP-OVCLIPMQSA-N 372.399 4.704 0 40 FJAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(N)cc1 4676253 GUBXVLIWLOIITK-UHFFFAOYSA-N 352.507 4.654 0 40 FJAB CCCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 4740703 GMOYIBSOEXWIRM-UHFFFAOYSA-N 353.201 4.779 0 40 FJAB Cc1ccc2[nH]cc(CCn3c(C)nc(=O)c(-c4ccccc4)c3C)c2c1 5274204 SFAVCRAUJNDYCH-UHFFFAOYSA-N 357.457 4.560 0 40 FJAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1cccc(O)c1 5376207 XAUMLNPNBUUFIV-NSIKDUERSA-N 366.225 4.940 0 40 FJAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 5953965 SSPRUTMBKLBMIG-SECBINFHSA-N 356.702 4.600 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 6328349 UGTSSFSZLJQUCZ-UHFFFAOYSA-N 369.442 4.678 0 40 FJAB Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1 6550823 LSPIWKPUGIKFNO-HXUWFJFHSA-N 371.889 4.995 0 40 FJAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1ccccc1 6788167 JUCBTTQLRWWMOL-NSHDSACASA-N 374.466 4.540 0 40 FJAB FC(F)(F)c1cccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)c1 6788794 PRVIBBSKOMIUAK-UHFFFAOYSA-N 373.165 4.714 0 40 FJAB O=C(Nc1cccc2cccnc12)c1cc(C2CC2)nn1-c1ccccc1 8280219 YWRRNDRQHOJIOP-UHFFFAOYSA-N 354.413 4.550 0 40 FJAB CCn1c(SCc2cc(C)on2)nnc1-c1ccc(Cl)cc1Cl 8327662 AKIKSRZQXUALGP-UHFFFAOYSA-N 369.277 4.861 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c(C)c1 8368921 XFOSNTJWDDYKKS-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB CC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccc(Cl)cc1 9340247 WBSPRKDPGUYRBQ-GOSISDBHSA-N 351.837 4.786 0 40 FJAB Cc1[nH]c2c(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)cccc2c1C 12147546 ODYBGSRXNWVVTQ-UHFFFAOYSA-N 366.852 4.587 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(C2CCCCC2)s1 12763219 XAIKXGPEYABINC-UHFFFAOYSA-N 367.474 5.000 0 40 FJAB O[C@@H](COc1ccccc1)Cn1c(C2CCCCC2)nc2ccccc21 15860792 KJWIGTFFZZUWAV-GOSISDBHSA-N 350.462 4.524 0 40 FJAB c1csc(-c2cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)no2)c1 16339573 CTPSFHZYZWXTNY-INIZCTEOSA-N 368.458 4.511 0 40 FJAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)C1 20731113 IQNRQNLGIVYFEB-MRXNPFEDSA-N 353.809 4.766 0 40 FJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1occc1COc1ccccc1 21448739 JJQAJSPNTLTKIL-UHFFFAOYSA-N 365.414 4.563 0 40 FJAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 22514355 JLHDSXYAQJERPA-IBGZPJMESA-N 350.506 4.718 0 40 FJAB Clc1ccc([C@H](c2ccccc2)N2CCN(c3ccccn3)CC2)cc1 23486793 QMVDYCYXQNDXFB-QFIPXVFZSA-N 363.892 4.647 0 40 FJAB Cc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1 28580174 SESJNEWYXCVKCN-UHFFFAOYSA-N 354.413 4.699 0 40 FJAB Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 29098474 QBMIBJSHSGGZNC-CYBMUJFWSA-N 353.853 4.540 0 40 FJAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1)c1ccccc1F 32096403 BZMMEFQVWQCMBT-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)NC[C@@H](C)c1ccccc1 32719106 ULYCUDJHFBEGOP-OLZOCXBDSA-N 351.874 4.880 0 40 FJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)s1 33625650 NZIJAWIJFDTVQA-CIAFOILYSA-N 365.845 4.661 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1 38771602 UCSMGGQRCOVYRA-XXAPSYRMSA-N 366.549 4.617 0 40 FJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCCc2ccccc21 40024340 IKYREESMNQZKMB-UHFFFAOYSA-N 356.491 4.634 0 40 FJAB Cc1ccc(-c2nnc(-c3nc(-c4ccccc4)sc3N)s2)cc1 41154430 OEQGWRDVGFDHQG-UHFFFAOYSA-N 350.472 4.886 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1Br 44842922 DLNULNYFOIFVMK-INIZCTEOSA-N 362.267 4.862 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)c2)n1 45020568 IBCWQIMKCPQTBK-HOTGVXAUSA-N 363.383 4.759 0 40 FJAB Cc1cccc(-c2csc(C(=O)NCc3ccccn3)c2-n2cccc2)c1 67245129 CIYOKLKYVGDWGK-UHFFFAOYSA-N 373.481 4.839 0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cc(C)cc(C)c1 102202793 SWUJZBAXSSFENC-UTKZUKDTSA-N 368.502 4.637 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 216492492 BNNNMGRQZPEDDW-HXUWFJFHSA-N 365.517 4.860 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219361149 RQVXAIQQZLZTIT-RTWAWAEBSA-N 355.478 4.737 0 40 FJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222942267 FNSYTWCNJRJJIV-PMACEKPBSA-N 368.550 4.627 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccccc1C 222982837 HTAIVEFRUPTGHD-NRFANRHFSA-N 371.546 4.819 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)c2ccccc2O1 225810574 CGQOANFHXBWJCH-XLIONFOSSA-N 367.489 4.961 0 40 FJAB Nc1ccccc1NC(=O)c1ccc(-c2cccc(Br)c2)o1 226347803 CZRLFDBMGHAUHJ-UHFFFAOYSA-N 357.207 4.544 0 40 FJAB CC(C)(C)c1ccc(C(=O)Sc2nnc(COc3ccccc3)o2)cc1 408624452 UGXIGZOUOJMHFH-UHFFFAOYSA-N 368.458 4.879 0 40 FJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1Cc3ccccc3[C@@H]21 408995018 KQUAONGFGFTUGA-QHAWAJNXSA-N 359.400 4.995 0 40 FJAB O=C(Nc1ccccn1)c1ccc(-c2ccc(Br)s2)s1 1124453046 IHLOBYUJHFSQFT-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 1126923726 QKNWPPBMILMULA-HNNXBMFYSA-N 354.494 4.977 0 40 FJAB CCc1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)[C@@H](C)CC)c1 1505840570 BVGXGYVUUYMLRL-NHSMTEEKSA-N 358.526 4.545 0 40 FJAB Cc1ccc(OCCn2c([C@H](O)c3ccccc3)nc3ccccc32)cc1 703989 CZOCYXWYZPVXKS-JOCHJYFZSA-N 358.441 4.505 0 40 FJAB Cc1cccc(C2=N/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)O2)c1 826352 BPNAQTZXCNXMDO-PXLXIMEGSA-N 369.420 4.919 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N(Cc3cccc4ccccc34)[C@@]21C 1086445 BFFIRSYGRILEQN-XMMPIXPASA-N 356.469 4.696 0 40 FJAB O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)c1ccccc1Cl 3167337 DKVSKWRVIPKYET-UHFFFAOYSA-N 365.816 4.885 0 40 FJAB CCCN(Cc1ccccc1)C[C@H](O)COc1ccc(C(C)(C)C)cc1C 3456601 HCVHDHGQTGLQIV-QFIPXVFZSA-N 369.549 4.944 0 40 FJAB CN(C)c1nc(Oc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1 3469944 OURQNELPVKTWLZ-UHFFFAOYSA-N 352.143 4.661 0 40 FJAB CC(=O)[C@H](C)Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 4091707 ZTZBNGNNBAGJFR-NSHDSACASA-N 357.759 4.701 0 40 FJAB COc1ccc(-n2c(/C=C/c3ccccc3C)nc3ccccc3c2=O)cc1 4915470 AYSBLINDJWQVSI-LFIBNONCSA-N 368.436 4.873 0 40 FJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc(F)cc1)CO3 5215775 MQNHPHDSFKXCHX-UHFFFAOYSA-N 359.784 4.559 0 40 FJAB C/C1=N\c2ccccc2OCCOCCOc2ccccc2/N=C(\C)C1 5371424 AXMDYDPFLMFTDD-LKNRODPVSA-N 352.434 4.750 0 40 FJAB CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 5630575 FBXWKVSUWMLLMJ-UHFFFAOYSA-N 360.409 4.792 0 40 FJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)cc1 5917629 RUCJWNKITTZCTF-JOCHJYFZSA-N 356.425 4.687 0 40 FJAB CCOC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 6561420 FFJBSPANFGMKJX-UHFFFAOYSA-N 353.443 4.566 0 40 FJAB COc1ccc(-c2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)cc1 6589947 OQQJADLZZMIWIO-CQSZACIVSA-N 352.459 4.951 0 40 FJAB c1cncc(-c2nc(Nc3ccc4c(c3)OCCCO4)c3ccccc3n2)c1 6832152 OJVDDPQCEPXOAK-UHFFFAOYSA-N 370.412 4.597 0 40 FJAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)c1ccc2c(c1)CCC2 7192003 BEPLIZQMIZCKBX-LBPRGKRZSA-N 368.433 4.728 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 8036441 CYCZCTHCOPOPNI-KRWDZBQOSA-N 360.841 4.726 0 40 FJAB O=C1CCCC[C@@H]1Sc1nnc(Cc2cccs2)n1-c1ccccc1 8193798 VANBYLDJYYHRTP-KRWDZBQOSA-N 369.515 4.523 0 40 FJAB Cc1nc(SCC(=O)NCCC2=CCCCC2)n(C2CCCC2)c1C 8231615 ZKHWBADGBLGGLY-UHFFFAOYSA-N 361.555 4.714 0 40 FJAB COc1cc(C)c(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1OC 8313026 XYBIKCMGBCDDNO-UHFFFAOYSA-N 364.445 4.936 0 40 FJAB COc1cccc(-n2c(-c3ccccc3)cnc2SCCC(C)=O)c1 8394725 IFRAFLNJSZSZOV-UHFFFAOYSA-N 352.459 4.619 0 40 FJAB Cc1c(-c2nc(N)nc(Nc3ccc(Cl)cc3)n2)oc2ccccc12 9087132 GOLPBSVYTPLXJF-UHFFFAOYSA-N 351.797 4.572 0 40 FJAB Cc1ccc(-c2cc(-c3ccc(Br)cc3)n3ncnc3n2)cc1 9434564 FCIPIKHBWLTHDO-UHFFFAOYSA-N 365.234 4.529 0 40 FJAB O=C(c1c[nH]c2ccccc12)[C@H](Nc1cccc(CO)c1)c1ccccc1 9616958 PVBVIWCRDISUGR-JOCHJYFZSA-N 356.425 4.696 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)ccc2o1 12825185 XKHKJURHTRYILY-VIFPVBQESA-N 364.232 4.882 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 13017390 WODCWTHSDBAFBS-GOSISDBHSA-N 373.500 4.901 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 14291456 GZIAOCDUYWQJCR-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB O=C(CSC(=S)N1CCCC1)c1ccc(Oc2ccccc2)cc1 14608555 PTTZSJAKPBFSIS-UHFFFAOYSA-N 357.500 4.776 0 40 FJAB CCCCc1ccc(N2C(=O)CS[C@H]2c2cccc(OC)c2OC)cc1 19927384 TVPIUMMJORHHOT-NRFANRHFSA-N 371.502 4.825 0 40 FJAB Cc1ccccc1[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 20048584 BKNYWDBXWIWQTI-SWDTZWKESA-N 371.436 4.643 0 40 FJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)o2)cc1Cl 20140323 VNRCOYCGCHQYEH-UHFFFAOYSA-N 371.776 4.565 0 40 FJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20452192 CTHNJLYHNJSKON-GOSISDBHSA-N 371.546 4.935 0 40 FJAB 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Cc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)c1 8048468 RNUBNZOQZSBMRB-UHFFFAOYSA-N 353.472 4.536 0 40 FJAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)c1C 8476606 QYFDKABDGMLYKG-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 8742519 WOJAQUUVEGIKLT-UHFFFAOYSA-N 374.853 4.901 0 40 FJAB O=C(c1ccccc1F)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254555 LKIARCCQBPQEPY-UHFFFAOYSA-N 360.816 4.732 0 40 FJAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1cccc2ccccc12 10330407 FHNABUOLSBLBCZ-FQEVSTJZSA-N 352.865 4.526 0 40 FJAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 10893688 XAMVELUFDSACNG-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB CCCOc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 12409722 UMHFCNKAELNNMT-UHFFFAOYSA-N 370.865 4.962 0 40 FJAB CCCn1c(Sc2cc3cc(OC)ccc3oc2=O)nc2ccccc21 12656522 OQFMFNRRKQSEJL-UHFFFAOYSA-N 366.442 4.713 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(C)C)c(C)c2)cc1 12737788 HIGGHCLTASEYAK-QFIPXVFZSA-N 367.489 4.870 0 40 FJAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 12796088 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COc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 25250216 CWXZFOONIKHVRT-UHFFFAOYSA-N 361.401 4.592 0 40 FJAB COc1cc([C@@H](C)NC(=O)c2c(F)cccc2Cl)ccc1OC(C)C 26948668 XEFNDQRAIKDRCI-GFCCVEGCSA-N 365.832 4.766 0 40 FJAB O=C(N[C@H](c1cccs1)C1CCCC1)c1cc(=O)c2ccccc2o1 32398307 QIJCYTIODHVWMO-IBGZPJMESA-N 353.443 4.516 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 40106904 MOUBWPFKYJCRBJ-VZUCSPMQSA-N 354.837 4.649 0 40 FJAB Cc1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(O)c1 58190755 RUCYEUGZAWNVRN-UHFFFAOYSA-N 371.440 4.611 0 40 FJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)n1c(-c2cccs2)n[nH]c1=S 65514831 GRLMIRWUZGPILZ-SECBINFHSA-N 364.883 4.522 0 40 FJAB CC(C)Cc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344252 ZDMGDOXRFHUUNG-OLZOCXBDSA-N 370.305 4.786 0 40 FJAB c1ccc(CCCn2ccnc2CNc2cncc(-c3ccccc3)n2)cc1 95464273 YNOUDWCQPCUZDZ-UHFFFAOYSA-N 369.472 4.585 0 40 FJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)/C=C/c1cccs1 96102828 BRFNAWLJZLFLBL-CMDGGOBGSA-N 358.463 4.649 0 40 FJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCCC[C@H]1c1cccnc1 100755461 QCKWAKZEHJRBJF-DZKIICNBSA-N 353.293 4.726 0 40 FJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)n1 170583797 PZZOGLHZPPICKE-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(F)c(F)c2F)CCS1 219292480 YQSKCAGFLSOCEX-MRXNPFEDSA-N 365.420 4.733 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)c2ccccc2O1 224346899 YKNCXQRKWLOIBM-PXNSSMCTSA-N 367.489 4.961 0 40 FJAB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)c(C)c1 225418140 QTXAYULMCKOBAZ-INIZCTEOSA-N 362.267 4.647 0 40 FJAB Cc1cccc(C2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)c1 225857672 SLQHWPHVCDSWJD-UHFFFAOYSA-N 368.502 4.522 0 40 FJAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl 231424397 BLRBJZIBJFAKDL-UHFFFAOYSA-N 358.290 4.513 0 40 FJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(C)cc(C)cc3C)S2)cc1 408784995 WQFHWTAGNVPKRQ-JCAJYURWSA-N 352.503 4.774 0 40 FJAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)c2ccccc12 1621580504 DVNQIUKDUZATTQ-UHFFFAOYSA-N 353.915 4.986 0 40 FJAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)c1ccccc1 639105 PVBFIENXKIWGBB-LBPRGKRZSA-N 368.816 4.585 0 40 FJAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c(C)c1 691533 PIFJUSXGXLZNTH-UHFFFAOYSA-N 351.475 4.626 0 40 FJAB CCSc1nnc(COc2ccc(CC)cc2)n1Cc1ccccc1 916413 RDBMIKUBXXIHQT-UHFFFAOYSA-N 353.491 4.580 0 40 FJAB CCCCOc1ccc(OC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 1753040 LYGOHLIVMMNQDL-UHFFFAOYSA-N 357.406 4.653 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1C 2623457 JZCFOJGFDZJGCR-UHFFFAOYSA-N 353.447 4.518 0 40 FJAB c1ccc(-c2nc3c4ccccc4nc(SCc4ccncc4)n3n2)cc1 2969052 YRRAIDNYYHCVCI-UHFFFAOYSA-N 369.453 4.632 0 40 FJAB CCN(C(=O)COC(=O)c1ccc(C)c(C)c1)c1cccc2ccccc12 3342486 OISIIJRMJXQAEC-UHFFFAOYSA-N 361.441 4.667 0 40 FJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)cc1C 3886776 VCMLSHHRQPBPNL-JTQLQIEISA-N 356.516 4.851 0 40 FJAB CC[C@]1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccccc2)=N1 4890822 DERRTLQTGSNKQS-FQEVSTJZSA-N 369.465 4.525 0 40 FJAB CCc1ccc(CNc2nc3ccccc3n2CCN(CC)CC)cc1 5112205 MTGORCAQNCZKDZ-UHFFFAOYSA-N 350.510 4.553 0 40 FJAB COc1cccc([C@@H]2OC[C@@H]3COc4ccc5ccccc5c4[C@@H]3N2C)c1 5209083 OQTRZNBJZPYJRW-IMRHEYAYSA-N 361.441 4.559 0 40 FJAB COc1ccc(CCN(C)[C@H](C)C2C3CC4CC(C3)CC2C4)cc1OC 6491575 OYYPFWBWRHXFKJ-BTZTZORMSA-N 357.538 4.639 0 40 FJAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1c(Cl)cccc1Cl 6925647 YREIBZQZCUACRQ-NTUHNPAUSA-N 354.214 4.823 0 40 FJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 7724515 ADNDDWREZAHHTR-UHFFFAOYSA-N 374.937 4.551 0 40 FJAB Cc1cccc2sc(NC(=O)Cc3csc(-c4ccccc4)n3)nc12 7725082 ZOOVQYHGOVOIOW-UHFFFAOYSA-N 365.483 4.909 0 40 FJAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccccc21 8231439 QQVQJMFPNZIHAA-UHFFFAOYSA-N 371.465 4.804 0 40 FJAB Cc1nc(Sc2nnc(C)s2)c2c(-c3ccccc3)csc2n1 8313389 SVPMVFROIAMCOU-UHFFFAOYSA-N 356.501 4.978 0 40 FJAB CC[C@H](C)NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8326713 PFJDDMRUVXAYMG-ZDUSSCGKSA-N 351.849 4.955 0 40 FJAB C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(F)cc1F 8391511 HNDMLXVCZKODIN-SECBINFHSA-N 360.187 4.528 0 40 FJAB Cc1ccccc1[C@H]1CC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C1 8559418 OLJOQQFBPLQFQE-GOSISDBHSA-N 367.452 4.926 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 8734978 HSDJMNFFRHGGFR-UHFFFAOYSA-N 374.893 4.749 0 40 FJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 9137587 OQBQFLWIQJYART-UHFFFAOYSA-N 374.843 4.667 0 40 FJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(NC(=O)C2CC2)s1 11333813 MULVNJOWIYLTEW-UHFFFAOYSA-N 370.518 4.666 0 40 FJAB Cc1c(-c2ccccc2)n[nH]c1C(=O)Nc1ccc(Oc2cccnc2)cc1 12147289 SAFCIATZTXGIKR-UHFFFAOYSA-N 370.412 4.825 0 40 FJAB COc1ccccc1-c1cc(C(=O)N[C@H](c2cccs2)C(C)C)no1 12200495 JZVOCESQNKGYNZ-SFHVURJKSA-N 356.447 4.539 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)N1CC=C(c2ccccc2)CC1 12971306 KCDBZCAFUDZMRK-UHFFFAOYSA-N 362.256 4.688 0 40 FJAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1cccnc1)CC(O)=N2 15106756 MMGIXVUECQEWIA-HNNXBMFYSA-N 363.442 4.827 0 40 FJAB Cc1cccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 15629061 GKWBAJDSHOCCHJ-UHFFFAOYSA-N 355.441 4.574 0 40 FJAB COc1ccc(CN(C(=O)c2csc(-c3ccccc3)n2)C2CC2)cc1 15819981 QXIPKGOAWDFZNY-UHFFFAOYSA-N 364.470 4.624 0 40 FJAB Cc1nc([C@@H](Cc2ccsc2)NCc2cnc(C(C)C)nc2)sc1C 19559942 HNPZGJHLCWVNJW-QGZVFWFLSA-N 372.563 4.808 0 40 FJAB CCc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 19627189 NGAYXICAMPFYSV-UHFFFAOYSA-N 359.516 4.745 0 40 FJAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl 20142282 NMIHYOWINCLDEN-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB CCOC(=O)C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(C)cc1 20506781 BJFCVZITPKOYFQ-GOSISDBHSA-N 365.395 4.798 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 21596704 QRUYIYGDDMYNHQ-UHFFFAOYSA-N 355.397 4.964 0 40 FJAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(C)c1 24454137 FVSKQLPWHNXBNA-UHFFFAOYSA-N 373.855 4.831 0 40 FJAB O=C(O)C/C(=C/c1cc(Br)cs1)c1nc2ccccc2o1 26764169 GTNBBLKXMBLSLW-UITAMQMPSA-N 364.220 4.667 0 40 FJAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(C(C)=O)s3)oc12 32772670 PDWKIIDWIWIHEK-NSHDSACASA-N 357.431 4.587 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1 32817197 OLHPUIZSQDXGFK-UHFFFAOYSA-N 373.378 4.771 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1cccs1 36392641 AWNKZJWVBDRWAF-VIFPVBQESA-N 364.829 4.995 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc3ccccc23)CC1 39766399 VACBRJNAZOEKBU-UHFFFAOYSA-N 358.485 4.999 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(C)(C)C)ccc3O)c12 40024966 IMJIZOQTZCDIHF-UHFFFAOYSA-N 365.433 4.664 0 40 FJAB CN(Cc1ccccc1NC(=O)c1cnc2ccccc2n1)C1CCCCC1 40040626 RKTPWKMKPCRJEF-UHFFFAOYSA-N 374.488 4.647 0 40 FJAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1Cl 41077001 PURWXEHKRCIQBE-UHFFFAOYSA-N 369.852 4.544 0 40 FJAB O=C(CCSCc1cccc(Br)c1)Nc1cccc(F)c1 58016119 FTOVUEGCRXKSMM-UHFFFAOYSA-N 368.271 4.850 0 40 FJAB COc1ccc2cc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)c(C)nc2c1 65552857 KKBSNZYUGPKXMV-ACJLOTCBSA-N 364.445 4.540 0 40 FJAB CCc1ccccc1Nc1nc(C)c(C(=O)NCCc2cccs2)s1 71326567 PXLVWEXEJPHMMJ-UHFFFAOYSA-N 371.531 4.792 0 40 FJAB Cc1cc(CN[C@H](C)c2nc[nH]n2)cc(C)c1OCc1ccccc1Cl 95467783 WNQJKUGHWIOGSZ-OAHLLOKOSA-N 370.884 4.505 0 40 FJAB O=C(N[C@H](CSC(F)(F)F)c1ccccc1)OCc1ccccc1 95918349 UYGVTTJNIXIBSO-OAHLLOKOSA-N 355.381 4.907 0 40 FJAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccs1)n2C 96037337 VBOUITWPDNLFRE-UHFFFAOYSA-N 351.475 4.705 0 40 FJAB N#CC1(C#N)[C@@H](/C=C\c2ccccc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 105037400 BDWJSXYNKWTYLA-OSZLLQPLSA-N 356.469 4.765 0 40 FJAB C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 118917507 GPLGAQQQNWMVMM-OCBZMFRYSA-N 356.598 4.810 0 40 FJAB in-vitro O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214407227 RPLPKGWWUTUTKM-MKMNVTDBSA-N 365.241 4.625 0 40 FJAB Cc1cccc(CSCCNC(=O)COc2ccc(C(C)C)cc2)c1 218959020 JXPZFGLIWXXMGO-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB O=C(CCc1ccccc1Cl)NCCSCc1cccc(Cl)c1 220011537 HQVPNYPBZYRBBA-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)c2cc(OC)cc(OC)c2)c2ccccc2O1 223263458 VKHQLCXUXUBRDD-LJQANCHMSA-N 369.461 4.516 0 40 FJAB S=C(Nc1ccc(Br)c(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 225322280 YXWUIXAVLOELQX-RWEMILLDSA-N 359.720 4.578 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225330523 LHLHIPDDZUKKLO-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1OC 225472289 DLWFUIOFBPYSFR-HRAATJIYSA-N 363.457 4.883 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](CC)c2ccccc2)c1 225481161 OPKVMAWMUVKOIK-KRWDZBQOSA-N 356.491 4.609 0 40 FJAB S=C(NCCCSCc1ccccc1)Nc1cccc(Cl)c1 225595965 KICSUQFXIYCOIZ-UHFFFAOYSA-N 350.940 4.950 0 40 FJAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(-c2ccsc2)cc1 225600627 YUFCLFYWHVYKLH-OAHLLOKOSA-N 363.482 4.711 0 40 FJAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(OC)c(C)c1 225626483 XZPHLALMYUNFNM-IBGZPJMESA-N 357.519 4.813 0 40 FJAB CCOC(=O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O 226357549 RUEDHVMQZGULLN-UHFFFAOYSA-N 363.196 4.944 0 40 FJAB CC(C)(C)C(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 408628159 QCNPPRSERGQZOG-UHFFFAOYSA-N 369.515 4.822 0 40 FJAB Cc1cncc(CCC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 512395442 VNGSKMZBFIWBNN-WKILWMFISA-N 363.288 4.692 0 40 FJAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4cccs4)cc3cc21 575473289 SMMUUBZHTOOOIO-GFCCVEGCSA-N 367.470 4.808 0 40 FJAB Cc1ccccc1CNc1ccccc1NC(=O)c1cn2c(n1)CC[C@H](C)C2 1295756549 USZBWROZALGECI-INIZCTEOSA-N 374.488 4.638 0 40 FJAB NC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCCC3 1247722 NSPFPDDQUJTIPD-UHFFFAOYSA-N 371.893 4.567 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1509877 YOMMDTSTAPJJQJ-UHFFFAOYSA-N 365.816 4.832 0 40 FJAB Cc1cc(C)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c(C)c1 2160471 DWLBTYTVBIUQFZ-UHFFFAOYSA-N 361.441 4.563 0 40 FJAB biogenic CCCOc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 3414068 REIHVMPSUDBHPE-UHFFFAOYSA-N 353.340 4.512 0 40 FJAB CC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 3453979 VSVGOYNAIOJWMJ-UHFFFAOYSA-N 368.483 4.744 0 40 FJAB Cc1ccccc1NC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 3627983 KYMWQSOGLLLBMJ-UHFFFAOYSA-N 354.409 4.965 0 40 FJAB c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCCCC3)n2)cc1 4140861 KDPUBXDYODZMLU-UHFFFAOYSA-N 360.465 4.739 0 40 FJAB Cc1csc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)cn12 4249063 JTYRBZKYMYGFSY-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB Cc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C 4375418 XRZGACQQYURVTP-UHFFFAOYSA-N 354.450 4.539 0 40 FJAB COc1ccccc1COc1ccc2c(C(F)(F)F)cc(=O)oc2c1C 4747395 XYEBKWXZAOZGJH-UHFFFAOYSA-N 364.319 4.708 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCCC4)o2)c1 4926001 ZCMZWPVJKXSFOJ-UHFFFAOYSA-N 364.470 4.899 0 40 FJAB O[C@@H]1CCCCCCCCCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F 5022227 NTSJAHWLRPOMME-VXGBXAGGSA-N 350.343 4.734 0 40 FJAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Cl)c(Cl)c1 5441644 IJUIGWCOVWYJRO-UHFFFAOYSA-N 363.244 4.763 0 40 FJAB CCCOc1ccc(OCCSc2nc(-c3ccccc3F)n[nH]2)cc1 5677909 YFDYGJCGUQACTG-UHFFFAOYSA-N 373.453 4.571 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 6270210 HBXYJXBMYUPIEK-UHFFFAOYSA-N 354.456 4.559 0 40 FJAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 6714795 SWPQMHJHNVMSAX-UHFFFAOYSA-N 374.440 4.843 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1C 7791574 UEBJTWQLSDUBRW-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB COc1cccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c1OC 8168743 RDSRMSWNOTUGGF-XDJHFCHBSA-N 357.409 4.923 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3cnn(Cc4ccccc4)c3)c2)cs1 8189851 NZHJYAFXVLYLPZ-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB CC(C)c1cccc(NC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)c1 8328110 GMUFJJLWYQJVBQ-IBGZPJMESA-N 353.466 4.595 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(OCc2ccccc2)c1 8328984 AVLUYXFURDBRKA-QGZVFWFLSA-N 361.441 4.765 0 40 FJAB COc1cc(CNCc2ccccc2)ccc1OCc1ccccc1F 8472299 DDKBWSPBEXMWOP-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1OC(F)F 11366412 DVZCCBCIUFJXLL-UHFFFAOYSA-N 361.344 4.582 0 40 FJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCCCC4)cc3)o2)cc1 12898816 MGYQSZNRNAZHMZ-UHFFFAOYSA-N 361.445 4.775 0 40 FJAB Cc1cc2oc(=O)cc(CSc3nc(C(C)C)n[nH]3)c2cc1C(C)C 14140275 VMCJVRIEIYECSK-UHFFFAOYSA-N 357.479 4.759 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)N(c2ccccc2)c2nc(C)cs2)cc1 14586582 JLZNKAVDRWPHAA-MRXNPFEDSA-N 352.459 4.892 0 40 FJAB CC(C)c1ccc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc1 15669859 PTUIISMEPZQNMS-UHFFFAOYSA-N 366.486 4.879 0 40 FJAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1Cl 15832114 LMUCCQOPFUSPLF-UHFFFAOYSA-N 370.836 4.510 0 40 FJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 17076358 YMEMIDSRIHFPBO-UHFFFAOYSA-N 372.534 4.597 0 40 FJAB CCOc1ccc(CN[C@H](Cc2cccs2)c2nccs2)cc1OC 19533945 FCZLZLHHJQULAJ-MRXNPFEDSA-N 374.531 4.686 0 40 FJAB CC(=O)OC/C(=C/CC/C(=C\CC/C(C)=C\CO)CO)CCC=C(C)C 31159375 GFDOSVZSTRYXMK-RKVCKCITSA-N 364.526 4.640 0 40 FJAB biogenic,in-vitro CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)c1C 31743357 UONLSBLIXLWNQD-LLVKDONJSA-N 370.396 4.611 0 40 FJAB Cc1cc(C)c(C(=O)CSc2n[nH]c(/C=C/c3ccc(C)o3)n2)c(C)c1 31802082 QTNRUUIPXPOGNF-BQYQJAHWSA-N 367.474 4.777 0 40 FJAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)c2ccco2)s1 32895533 WASVDBMVJDEWIH-UHFFFAOYSA-N 374.849 4.519 0 40 FJAB Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 40103902 VZCTXUCTPWYHGM-UHFFFAOYSA-N 352.434 4.700 0 40 FJAB Cc1cc(OS(=O)(=O)c2c(C)c(C)cc(C)c2C)c2ccccc2n1 41097165 QTXIJYVFPFQLLF-UHFFFAOYSA-N 355.459 4.545 0 40 FJAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 44936813 KBUVOIIFULJJIK-HSZRJFAPSA-N 364.533 4.802 0 40 FJAB C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 46891037 BCSGDKKMGMKSHK-CYBMUJFWSA-N 353.409 4.644 0 40 FJAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)cc1 49169926 SJQWPABZTXKMRA-KRWDZBQOSA-N 358.445 4.516 0 40 FJAB biogenic,in-vitro CNc1nc2c(s1)[C@H](c1ccc(OC)c(OC3CCCC3)c1)CC(O)=N2 61718671 HJPJYMSGORFHDL-ZDUSSCGKSA-N 373.478 4.638 0 40 FJAB CC(C)C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1 63809033 XJZPWIMXOMXHBO-INIZCTEOSA-N 367.474 4.515 0 40 FJAB COc1ccc(C2=CCN(C(=O)Nc3cccc4cnccc34)CC2)cc1 69452788 RCKLUCRRSDMCAF-UHFFFAOYSA-N 359.429 4.565 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N)[C@@]4(C)CC[C@@H]32)C1 82041030 SYGYUPQRRFLXHY-JGZQYDTDSA-N 359.554 4.844 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cccc(C(F)(F)F)c1 89212794 RGNKXFLDPNFWRM-HNNXBMFYSA-N 358.404 4.907 0 40 FJAB CCOc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193821 XUWPYLMPZZBDFA-UHFFFAOYSA-N 362.414 4.665 0 40 FJAB CCc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 101961577 LLPDEODMJJFTNF-QGZVFWFLSA-N 354.816 4.689 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219072092 ALFQQGDPVGZEHR-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccc(OC(C)C)cc1 219576913 AUQMKGVAEXEBDU-FQEVSTJZSA-N 373.468 4.519 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 223210400 LHOLOTQVZLVQHR-HUUCEWRRSA-N 361.869 4.610 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)C 223790913 SEJHFIAAQPLTNR-HXUWFJFHSA-N 369.505 4.779 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1 224084069 CPBMIRQIGGLDBQ-QGZVFWFLSA-N 361.441 4.765 0 40 FJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1 224474647 BWVNMJDCNALRLT-GOSISDBHSA-N 363.910 4.544 0 40 FJAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)Oc1ccccc1 225130314 ZOCXORUMNHFPRP-IBGZPJMESA-N 350.439 4.913 0 40 FJAB Cc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1C 225575812 IVKOKXQQYKDHCS-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB Clc1ccc(Cc2nnc3sc(-c4ccccc4Cl)nn23)cc1 226299975 PAPIBOLEJQSTLT-UHFFFAOYSA-N 361.257 4.750 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCC[C@@H](C)C1 226330245 WVJLVNZDPLEVRN-CYBMUJFWSA-N 357.885 4.719 0 40 FJAB CC(C)Cc1ncc(-c2cncc([C@H]3CCCN3C(=O)C(C)(C)C)n2)s1 257319539 VSYRXNKXWWHYOO-MRXNPFEDSA-N 372.538 4.508 0 40 FJAB CCOc1ccc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260759217 FHQLGAMIVMCAMV-NXOUGTEYSA-N 373.909 4.723 0 40 FJAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(C)c3)n2)cc1 408582450 OERZVFMWVYIYGG-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 408706228 XWZXODWEOQGIGH-LBPRGKRZSA-N 370.301 4.669 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccco1)c1cccs1 585147658 AWWZDFDTEJOIAT-CYBMUJFWSA-N 363.841 4.624 0 40 FJAB Cc1c(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)oc2c(C)cccc12 1566301417 PJFBLJPATKNACW-UHFFFAOYSA-N 367.355 4.970 0 40 FJAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 1772492367 WKSLITSQKVNEJV-URJOCYJQSA-N 352.474 4.538 0 40 FJAB COc1ccc(CN(CC[C@H](c2ccc(OC)cc2)C(C)C)C(C)=O)cc1 1829719 GGCSKBVNBXDYMM-QHCPKHFHSA-N 369.505 4.882 0 40 FJAB biogenic CCCCc1cc(=O)oc2c(C)c(OC(=O)c3cccc(OC)c3)ccc12 2091448 XVSGVTSEFIJIAW-UHFFFAOYSA-N 366.413 4.672 0 40 FJAB biogenic CCCCn1c(C)c(C(=O)OCC)c2cc(OC)c(Br)cc21 3151611 DTAQMBTZMHBSJO-UHFFFAOYSA-N 368.271 4.698 0 40 FJAB COc1cccc2sc(NC(=O)c3cccc(C(F)(F)F)c3)nc12 4071744 TWRZPPWZRCIMJF-UHFFFAOYSA-N 352.337 4.576 0 40 FJAB COc1ccc(-c2ccc(SCc3ccc(F)cc3)nn2)cc1OC 4355647 BCMGOKGEPVEBFJ-UHFFFAOYSA-N 356.422 4.592 0 40 FJAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)cc1 4356418 MHEKQEQNKVJPJK-UHFFFAOYSA-N 358.825 4.911 0 40 FJAB CCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2Cl)OC1=O 4812741 XFAGGSUKAHMCDK-DHDCSXOGSA-N 362.212 4.737 0 40 FJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1nc(C)c(C)s1 4849330 QYLJLLXTJVXHGM-UHFFFAOYSA-N 371.531 4.910 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 5477344 CVVNEBLHJFHEPO-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cccnc2-c2nc3ccccc3s2)cc1 5482744 QPSPAVMBXFDVJG-UHFFFAOYSA-N 373.437 4.813 0 40 FJAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 6267690 DRVUFJZOMAAETL-SNVBAGLBSA-N 369.874 4.601 0 40 FJAB CC(=O)c1sc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)nc1C 7059277 KKPLUYLRYJRBPH-CQSZACIVSA-N 350.871 4.686 0 40 FJAB COCCn1c([C@H](C)c2ccc3cc(OC)ccc3c2)nc2ccccc21 7343674 JVHXYQIOWOIOQM-MRXNPFEDSA-N 360.457 4.996 0 40 FJAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7929315 LXADYLFGTWXKTG-HXUWFJFHSA-N 371.436 4.621 0 40 FJAB Cc1ccccc1OCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 8571564 CYINRHZEQOTOOG-LTGZKZEYSA-N 371.436 4.946 0 40 FJAB CCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cccc(C)c3nc21 9328109 FCGUPAQWSWJCHA-UHFFFAOYSA-N 358.445 4.864 0 40 FJAB CCc1cccc2c(C(=O)C(=O)Nc3ccccc3C(F)(F)F)c[nH]c12 9615221 HCSUGKWCFUUWMR-UHFFFAOYSA-N 360.335 4.571 0 40 FJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)cc1Cl 9980119 KEDMDPXFWHNSGH-UHWNONIISA-N 358.825 4.667 0 40 FJAB CC[C@H](C)[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 13008481 PUHANAMFCXHHEL-HRAATJIYSA-N 350.462 4.582 0 40 FJAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14110135 ODKDMHKUECCIMR-QGZVFWFLSA-N 350.487 4.635 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 14291518 KOIMZISZASMHKA-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14399353 NJOCBCFFUDVCLE-ROUUACIJSA-N 353.506 4.889 0 40 FJAB O=C1C[C@H](c2cccc(F)c2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15082696 GBFQMEDWARAEJB-CQSZACIVSA-N 367.401 4.727 0 40 FJAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccccc1 20238052 AKFYUJJPORXBFA-UHFFFAOYSA-N 365.951 4.623 0 40 FJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1OC(F)F 21829996 JTPVLHZSHMIVMJ-INIZCTEOSA-N 351.780 4.823 0 40 FJAB COc1ccc(CSCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 22524802 QCPGMRQJYLCNRO-HXUWFJFHSA-N 357.519 4.832 0 40 FJAB O=C(CSCc1cccc2ccccc12)NCCc1ccc(F)cc1 23411350 FQMHBPLFFKOMPZ-UHFFFAOYSA-N 353.462 4.571 0 40 FJAB CC(C)[C@@H](CNC(=O)c1ccccc1OCc1ccncc1)c1ccccc1 27634849 XQHQHCRSTIKPEY-JOCHJYFZSA-N 374.484 4.830 0 40 FJAB C[C@H](C(=O)N[C@H](c1ccccc1)c1cccs1)n1cnc2ccccc21 31836213 UMWCYDBJLHZCBA-FOIQADDNSA-N 361.470 4.565 0 40 FJAB COc1cccc(CN[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 40161244 CNZNUXCPJLYEFO-HSZRJFAPSA-N 374.484 4.782 0 40 FJAB CCCOc1cccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45889316 GNTZEXSGEXQMBN-UHFFFAOYSA-N 355.463 4.536 0 40 FJAB O=C(/C=C/c1cscn1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 50344758 OIWRRCZBZUXKHZ-RTRPANQVSA-N 360.891 4.777 0 40 FJAB CN(Cc1cc(Cl)cc2c1OCOC2)Cc1cccc2ccccc12 58419350 FICAHNCLBBXOQW-UHFFFAOYSA-N 353.849 4.992 0 40 FJAB CCCn1c(S[C@H](C)c2cccc(OC)c2)nnc1-c1ccncc1 75093661 SQCBMGBIBYSDOS-CQSZACIVSA-N 354.479 4.612 0 40 FJAB FC(F)C(F)(F)C(F)(F)CCOc1ccc(Br)cc1 95094044 SMDOHFPFWVQDKF-UHFFFAOYSA-N 351.084 4.754 0 40 FJAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1 95451638 XBBIKUXGCBMANN-NRFANRHFSA-N 350.462 4.804 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1C 224561780 FEJGVQRDCKAOOG-FQEVSTJZSA-N 355.478 4.920 0 40 FJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCCC(C)C)o2)c1 224903786 FUHCNLQZMVQDBZ-UHFFFAOYSA-N 364.445 4.793 0 40 FJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1 224921452 KYSFTLCBGMQUIY-UHFFFAOYSA-N 355.434 4.708 0 40 FJAB COc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1Cl 225122867 BJDPBFASWMDJHM-GOSISDBHSA-N 362.853 4.721 0 40 FJAB C[C@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)CCc4ccco4)[C@H]3C=C12 248195154 ORYWHTWXSGORLG-LSVFLDFNSA-N 371.521 4.505 0 40 FJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC2(CC1)CC2(F)F 675008340 SJWPTARAWWGMHD-UHFFFAOYSA-N 368.383 4.756 0 40 FJAB C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(-c2ccc(F)cc2)cc1 684278447 DHQSAFAJUVJKHR-OPAMFIHVSA-N 370.468 4.500 0 40 FJAB Oc1ccc([C@@]23CCC[C@H]2C2(CCCC2)c2ccc(O)cc2O3)c(O)c1 2492456 VVKZOCOBTLMOQJ-UNMCSNQZSA-N 352.430 4.703 0 40 FJAB c1ccc(-n2ncc3c(OCc4cccc5ccccc45)ncnc32)cc1 2632624 GAZQPDKFWQAYCL-UHFFFAOYSA-N 352.397 4.548 0 40 FJAB COC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 3559226 BOSXEOKFDXMGNX-UHFFFAOYSA-N 359.425 4.634 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033356 DLBVHZWSWUWLIL-SFHVURJKSA-N 361.489 4.974 0 40 FJAB CC(C)Cn1c(SCC(=O)Nc2ccccc2F)nc2ccccc21 4265255 BRJQAJASDOTVJC-UHFFFAOYSA-N 357.454 4.562 0 40 FJAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CCCCC4)c23)CO1 5244913 ZXNOOTYPUQHUBC-GOSISDBHSA-N 363.552 4.645 0 40 FJAB CCN(CC)CCCN[C@H](C)C[C@]1(c2ccccc2)CCOC(C)(C)C1 5347065 PNIFHKSWZZWSNA-NFBKMPQASA-N 360.586 4.614 0 40 FJAB Cc1ccc(-n2c(SCc3cccn3C)nnc2-c2ccccc2)cc1 6586091 NLEODRBEKSCPJM-UHFFFAOYSA-N 360.486 4.874 0 40 FJAB COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 11914627 SUSGULYAVUBZPZ-UHFFFAOYSA-N 352.821 4.591 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cn(C)nc4C)cc3)sc2c1 12015675 IXSDDQZBDDMOJI-UHFFFAOYSA-N 362.458 4.566 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1cc(F)c(Cl)cc1Cl 12598903 XNJHOZICHUZYFV-UHFFFAOYSA-N 371.220 4.779 0 40 FJAB Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(Br)cc12 12876041 BUQJLFRICISPJP-UHFFFAOYSA-N 370.246 4.702 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccccc3OC)ccc2c1 12942452 QACPLTXPJYTSSY-HOTGVXAUSA-N 363.457 4.838 0 40 FJAB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cccs3)C[C@@H]21 13036499 RLAFMTYGNLHQMO-IFXJQAMLSA-N 352.415 4.592 0 40 FJAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccccc1Br)CC3 15842007 WVYWDRZQERPIBA-UHFFFAOYSA-N 367.246 4.509 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17135879 FODFJALWKDYNLV-UHFFFAOYSA-N 370.452 4.840 0 40 FJAB COc1ccc(CN(C(=O)c2csc3c2CC[C@H](C)C3)C2CC2)cc1 19295851 NRVDANFAZHOMEO-AWEZNQCLSA-N 355.503 4.686 0 40 FJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)cn1 19524931 PDMFORHYGYHERA-KRWDZBQOSA-N 356.495 4.737 0 40 FJAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cccc1C(=O)O 20145370 RPIBLTKYEDOTMV-ZRDIBKRKSA-N 365.360 4.744 0 40 FJAB CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 20897407 SBOBIBAJMBJVKI-CQSZACIVSA-N 358.507 4.945 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2o1 21794860 WMLKZSNQKCEFLV-JTQLQIEISA-N 363.339 4.594 0 40 FJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 22512821 HIHXTLIXQDUBBI-JOCHJYFZSA-N 351.490 4.634 0 40 FJAB COc1c(N)cc(-c2nc3cc(Cl)ccc3o2)cc1Br 26509164 SSDVXRMTDKZXCW-UHFFFAOYSA-N 353.603 4.502 0 40 FJAB Cc1ccc([C@@H](NC(=O)CNc2ccccc2F)c2cccs2)cc1 30287506 ISZIDANFMNKDAA-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccn1 30585755 ORXKZZNTSZAQIM-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB Fc1ccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)cc1 33022063 SNJZBCAOXPLPOV-UHFFFAOYSA-N 370.434 4.687 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@H](NCCc2cccs2)c2ccccc2)c1 35351434 LGDZVGYDBZHSHV-OAQYLSRUSA-N 364.514 4.877 0 40 FJAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38859318 OSJKIIKWJRHKMU-HIFRSBDPSA-N 357.325 4.510 0 40 FJAB COc1ccc2cc(CNCc3ccccc3CN3CCCC3)ccc2c1 48342002 CGAAIBFVNIJDNL-UHFFFAOYSA-N 360.501 4.734 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 59488509 WTBMVSUMHBFBNA-KRWDZBQOSA-N 364.489 4.538 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 64983394 CGJHGWPVOPWAJG-GOSISDBHSA-N 352.478 4.700 0 40 FJAB O=C(CCCOCCc1ccccc1)N1CCC[C@@H]1CCc1ccccc1 72272691 FIOVOJWIOJIPDV-HSZRJFAPSA-N 365.517 4.650 0 40 FJAB Cc1c(NC(=O)N2C[C@H](C)CCC[C@@H]2C)cccc1OCC(F)(F)F 72303927 CUWAETZBELVJCZ-OLZOCXBDSA-N 358.404 4.979 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72348622 WQZWFJZWMJPKHP-OAQYLSRUSA-N 356.469 4.692 0 40 FJAB Nc1ccc(SCc2cccc(C(=O)NCc3ccco3)c2)c(Cl)c1 89774491 XZOZYYSFOGRMDE-UHFFFAOYSA-N 372.877 4.738 0 40 FJAB COc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1 95946220 BUHGQTKMANQWRO-HXUWFJFHSA-N 360.413 4.588 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)c(C)c1 218940941 QRGUGUWEFDGMFT-SFHVURJKSA-N 373.880 4.754 0 40 FJAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 222865889 LSGJVUQEQVRYFH-INIZCTEOSA-N 353.462 4.759 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1C 222894275 RJKDMPNSYRRCJE-FQEVSTJZSA-N 369.461 4.530 0 40 FJAB CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224732672 JPTNEUPEEWOOTG-UHFFFAOYSA-N 355.488 4.878 0 40 FJAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1 225272359 JQDNSTFGUIGCDK-UHFFFAOYSA-N 364.533 4.727 0 40 FJAB Cc1ccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)cc1 225353188 QXLBRTQIPTWAEN-UHFFFAOYSA-N 350.289 4.983 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225540425 DOKQIZZHIUDOPV-UHFFFAOYSA-N 367.489 4.861 0 40 FJAB CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1[C@@H](C)O 257350310 WESDBOJFPODCAU-MONFCQFUSA-N 362.554 4.958 0 40 FJAB COc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2C)c(OC)c1 408824771 HQVWSZXSUHQMDF-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408841718 JZDVVRJNNQSLJY-XMHGGMMESA-N 359.816 4.570 0 40 FJAB CCc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C 543633659 QWWVRULMIYBVOI-PMACEKPBSA-N 356.441 4.738 0 40 FJAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)C1(C)C 653828182 RLBSXCNVWJANRB-IOASZLSFSA-N 361.436 4.847 0 40 FJAB Fc1ccccc1-c1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632729 PHIGHTMXJOVDIF-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB O=c1ccc2ccc(Oc3nc(-c4cccnc4)nc4ccccc34)cc2o1 1006994 TYUXANGNMXYPAR-UHFFFAOYSA-N 367.364 4.591 0 40 FJAB COc1ccc(C(/C(Cl)=C(\Cl)C(=O)O)c2ccc(OC)cc2)cc1 2144090 UWIUFGYDTQWQIL-WUKNDPDISA-N 367.228 4.610 0 40 FJAB CC(C)c1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCCC2 2296734 FPNCXCZEYGUIJN-UHFFFAOYSA-N 352.507 4.842 0 40 FJAB CCN(CC)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 2408631 VKAFQFQVODHJDV-UHFFFAOYSA-N 355.825 4.539 0 40 FJAB C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 2617026 MTJHRAWGMAWMEY-CYBMUJFWSA-N 359.853 4.822 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1 2723058 GAMOTIGLJYOULD-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB CCOc1ccc2nc(NC(=O)c3ccc4nc(C)sc4c3)sc2c1 3170981 ATNJZOGKHDWIAV-UHFFFAOYSA-N 369.471 4.865 0 40 FJAB CCCn1cc(SCC(=O)NCCc2ccccc2)c2ccccc21 4060604 ZSWYKJAWZJFOGL-UHFFFAOYSA-N 352.503 4.502 0 40 FJAB COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccs1)=N2 4130009 BBKJZYPHZOMSEM-UHFFFAOYSA-N 367.861 4.844 0 40 FJAB O=S(=O)(NCCC12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12 4578136 DUZVSWFTURKYSX-UHFFFAOYSA-N 369.530 4.725 0 40 FJAB CC(C)(CO)NCc1c(OCc2ccccc2Cl)ccc2ccccc12 4657409 MRTKDWYSODMECP-UHFFFAOYSA-N 369.892 4.933 0 40 FJAB COc1ccc(C(=O)Oc2ccc3c(Br)cccc3c2)cc1 4666453 KEUWAKNRSASLEE-UHFFFAOYSA-N 357.203 4.830 0 40 FJAB Cc1ccc(C)c2c1[C@@H](C)CC1(CCCCC1)N2C(=O)N1CCOCC1 5428729 FYJOWXRNXHOPCW-SFHVURJKSA-N 356.510 4.772 0 40 FJAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC 6656425 OOLNMXDEHADUDR-UHFFFAOYSA-N 354.233 4.961 0 40 FJAB COc1cc(CNCc2ccc(F)cc2)ccc1OCCc1ccccc1 7540153 FKBSJUJBYFSXST-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(C)c1 8105440 NMZMSGBMEIFMFW-INIZCTEOSA-N 350.487 4.933 0 40 FJAB O=C(CCc1cccnc1)Nc1nc(-c2cccc3ccccc23)cs1 8156520 YKJFDRXFAMSQQI-UHFFFAOYSA-N 359.454 4.930 0 40 FJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 8562698 JKRUGNKWVWRJFC-QGZVFWFLSA-N 359.425 4.962 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl 12822000 HVYKQUZQMOZHAJ-UHFFFAOYSA-N 352.821 4.971 0 40 FJAB CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1OC 12848603 WRXNSZNKSADZQZ-CYBMUJFWSA-N 363.404 4.643 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C(F)(F)F)cc1 12929633 DBFFMVYQIRMZCD-GOSISDBHSA-N 374.362 4.608 0 40 FJAB C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1 13788516 IIJFRTLLXGGKID-JTQLQIEISA-N 353.260 4.636 0 40 FJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1 15513551 SZSNNDMQDRWRHG-UHFFFAOYSA-N 371.780 4.830 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC 21835416 MSASQLFKIRVIHJ-XSSIKURBSA-N 353.462 4.621 0 40 FJAB Cc1cc(C)n(CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1 22320767 GRDBGNUFNPWIKM-UHFFFAOYSA-N 369.852 4.974 0 40 FJAB CCOP(=O)(OCC)C(C)(C)NC(=S)Nc1c(C)cc(C)cc1C 26779873 UWKYBIFNDGXVBU-UHFFFAOYSA-N 372.471 4.900 0 40 FJAB C[C@H](NC(=O)CSc1cnc2ccccc2n1)c1cccc2ccccc12 27544521 HTNXGTZOUVZNMP-HNNXBMFYSA-N 373.481 4.753 0 40 FJAB CCCCN1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O 27792462 KFKINQWUXSHJQW-PKOBYXMFSA-N 361.489 4.762 0 40 FJAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cc2ccccc2o1 32069844 PAGSHBYJSKUHIR-UHFFFAOYSA-N 355.353 4.888 0 40 FJAB Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)nn1 35598019 YACDYSTWFRJJDE-UHFFFAOYSA-N 351.385 4.620 0 40 FJAB CN(C)c1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2)cc1 35616339 OVEOQHAZWBIBML-UHFFFAOYSA-N 363.852 4.859 0 40 FJAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)c1 39767235 FGFJZSKAZSDUDT-FQEVSTJZSA-N 364.533 4.701 0 40 FJAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c(C)c1C 40146682 KMFDOEHPCOIXHR-UHFFFAOYSA-N 370.474 4.685 0 40 FJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1 54702758 NOXVDJKVWQMYAL-LJQANCHMSA-N 365.820 4.515 0 40 FJAB Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)cc1F 85345107 OZGJEVOGNGWQLS-UHFFFAOYSA-N 370.232 4.822 0 40 FJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccc(F)c1 95115913 ARZFKZRIAVCERG-SFHVURJKSA-N 350.418 4.879 0 40 FJAB O=C(C1[C@@H]2CCCC[C@@H]12)N(Cc1ccc(Cl)cc1)Cc1cccnc1 100731374 FBMUGLXSPSWBRF-RTBURBONSA-N 354.881 4.700 0 40 FJAB C[C@@H](NC(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103353111 DVTHFBWCYCKFML-LGYWMIHWSA-N 373.500 4.639 0 40 FJAB COc1ccc2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)[nH]c2c1 211080681 SOFSGNDLWXBONN-QGZVFWFLSA-N 366.436 4.726 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 216277454 GDTNVMDIOZZKDY-RTBURBONSA-N 350.506 4.718 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)c2cc3cccc(OC)c3o2)cc1 216396260 YDOAIGTZOKIYLN-SFHVURJKSA-N 367.445 4.967 0 40 FJAB CC(C)Oc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2)c1 218961775 SDBFNUXFJVYWTQ-UHFFFAOYSA-N 369.505 4.725 0 40 FJAB CCc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219450788 XLEGNERPKLNEPT-UHFFFAOYSA-N 358.441 4.781 0 40 FJAB CC(C)Sc1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 223148695 BOYKDOZUIHLUBW-VIFPVBQESA-N 373.956 4.811 0 40 FJAB O=C(Nc1cccc(O)c1)c1cc(Cl)ccc1OCc1ccccc1 408587143 RAVSOVPTKQYSSL-UHFFFAOYSA-N 353.805 4.877 0 40 FJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(Cc2ccccc2F)s1 754062 IOLCFKJJFVLURH-UHFFFAOYSA-N 362.817 4.565 0 40 FJAB CC(C)(C)COC(=O)Nc1nnsc1Sc1ccc(Cl)cc1 1387847 UFKMJPSLUFKBNA-UHFFFAOYSA-N 357.888 4.937 0 40 FJAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl 1454496 DFBWLUJMZIMVAJ-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB S=c1nc(-c2nc(=S)[nH]c3c2CCCCC3)c2c([nH]1)CCCCC2 1588462 QCOORSZJBBZLLS-UHFFFAOYSA-N 358.536 4.797 0 40 FJAB COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CCOC(C)(C)C2)cc1 2393847 NLWQHUJPYGLWDJ-HXUWFJFHSA-N 367.489 4.604 0 40 FJAB Fc1ccc(C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)cc1 3270653 RFIKAAAXDPGOKU-UHFFFAOYSA-N 363.378 4.861 0 40 FJAB CSc1ncccc1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 3347217 WJYJQBMGSGHNRK-UHFFFAOYSA-N 366.471 4.661 0 40 FJAB CSc1ccc(CN(C)CC(=O)Nc2cccc3ccccc23)cc1 3415446 BSXUYMOHGQKURJ-UHFFFAOYSA-N 350.487 4.632 0 40 FJAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(F)cc3)c2cc1C(C)C 3510725 GJQZBEUZPDDCJY-UHFFFAOYSA-N 354.377 4.721 0 40 FJAB O=C(CCc1ccccc1)Nc1nc2c(s1)CSc1ccccc1-2 4200628 DSKVVDUAHUYPIW-UHFFFAOYSA-N 352.484 4.987 0 40 FJAB CN1O[C@@H](COC(=O)c2ccc(Cl)cc2Cl)C[C@@H]1c1ccccc1 5913918 FPSQOSUDABANES-RHSMWYFYSA-N 366.244 4.527 0 40 FJAB Cc1c(Cl)cccc1NC(=O)COc1ccc(F)cc1Br 6215816 FNULYWWIUJTPIC-UHFFFAOYSA-N 372.621 4.568 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2-c2ccc(C)cc2)cc1 6820207 XVPLQEXBQGXKRW-HNNXBMFYSA-N 351.475 4.556 0 40 FJAB Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)n(-c2ccccc2)n1 7718660 ZUEZBEDMTWMYLI-UHFFFAOYSA-N 371.893 4.706 0 40 FJAB COc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)cc1F 8131110 QWSHNXSCVRIPCJ-UHFFFAOYSA-N 365.404 4.899 0 40 FJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccccc1 8381202 DCUYLMFXFFOJKG-NRFANRHFSA-N 367.404 4.538 0 40 FJAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccccc3Cl)n2)cc1 9196432 KUPQWPIOOBUVNB-UHFFFAOYSA-N 355.825 4.660 0 40 FJAB Cc1occc1C(=O)Nc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 9455231 VDOAEOAIAAZPLD-UHFFFAOYSA-N 369.446 4.558 0 40 FJAB C[C@@H](NCc1cccs1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12739481 VNCYFFCZTQQDOM-GFCCVEGCSA-N 367.499 4.564 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1cc(Cl)ccc1Cl 12774232 VEJXMKPUCYISSQ-UHFFFAOYSA-N 353.230 4.640 0 40 FJAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H]1c1ccccc1 12946418 HXILFOUOBLJFSK-CQSZACIVSA-N 356.274 4.519 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 12977992 ALWCVCVOVTVQRR-GJZGRUSLSA-N 351.421 4.968 0 40 FJAB CC(C)OCc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1 13165313 IEDMPJDQKWZAGI-UHFFFAOYSA-N 372.553 4.530 0 40 FJAB COc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1Cl 20142248 WKCBRLOXXFYWRF-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB CCOc1cccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)c1 20380522 KZEPXIVEZSGBRK-UHFFFAOYSA-N 350.443 4.836 0 40 FJAB CCCCCC(=O)Nc1ccc2nn(-c3ccc(OC)c(Cl)c3)nc2c1 20610776 CCYRWIVWJHMOJO-UHFFFAOYSA-N 372.856 4.601 0 40 FJAB CC[C@@H](C(=O)Nc1nc(CN2CCC(C)CC2)cs1)c1ccccc1 21135527 YOACJFVGHFQQIM-GOSISDBHSA-N 357.523 4.507 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(C(C)C)cc3)s2)cc1 28287645 NQBNWICBVLBXRN-UHFFFAOYSA-N 367.474 4.654 0 40 FJAB Cc1noc(C)c1CCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 31336895 UHMKKFQQFNDENH-LLVKDONJSA-N 355.265 4.750 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1 32967065 ULJADWJNZNSOTQ-UHFFFAOYSA-N 373.456 4.648 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36619704 ZKKMALPREYBDRE-IBGZPJMESA-N 363.910 4.989 0 40 FJAB COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44839398 DLVKQIUIUGUJMS-HNNXBMFYSA-N 371.440 4.730 0 40 FJAB Cc1ccccc1-c1nnc(SCCCc2nc3ccccc3o2)o1 48355308 YVKFGHWDFSPMJA-UHFFFAOYSA-N 351.431 4.911 0 40 FJAB O=C(/C=C/c1cccnc1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 57311637 YVROJTZUGGJULL-DPAQFELZSA-N 354.862 4.716 0 40 FJAB Cc1ccc2c(CN(C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1C 57509344 NVYGKUCPKRLAKE-UHFFFAOYSA-N 373.399 4.643 0 40 FJAB CCc1c(C(=O)Nc2nc(C)c(-c3ccccc3)s2)[nH]c(C)c1C(C)=O 59403038 UTOKURPPIPLYNU-UHFFFAOYSA-N 367.474 4.772 0 40 FJAB Cc1ccc(C)c(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 67295374 LAJXZMULKJNCED-BZZOAKBMSA-N 372.424 4.805 0 40 FJAB CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 68251500 VXBAJLGYBMTJCY-NSCUHMNNSA-N 372.472 4.658 0 40 FJAB in-man CC(=O)c1cccc(-c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)c1 71898186 UDVDJBBVTQLZNA-UHFFFAOYSA-N 360.438 4.830 0 40 FJAB O=C(NO[C@@H]1CCCCO1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 72059824 MAALBWHBZUIQEO-OAHLLOKOSA-N 372.273 4.910 0 40 FJAB Fc1ccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)cc1 72348817 RYJRGJRGXIGXKY-UHFFFAOYSA-N 361.464 4.586 0 40 FJAB Cc1ccc(-c2nc(C(=O)N3C[C@H](C)Oc4ccc(Cl)cc43)cs2)o1 78934597 KATJKGYUMMYVEA-NSHDSACASA-N 374.849 4.793 0 40 FJAB O=C1COc2cc(NCc3c(Cl)cccc3Cl)c(Cl)cc2N1 84339056 PRPYJKCZAAODSC-UHFFFAOYSA-N 357.624 4.590 0 40 FJAB COc1ccccc1NC(=O)NCc1sc(-c2ccccc2F)nc1C 90592985 IFNRBPOSRRMSJP-UHFFFAOYSA-N 371.437 4.588 0 40 FJAB FC(F)(F)Oc1ccc2nc(Br)cc(C(F)(F)F)c2c1 95101170 ZSODZIQCJXGNGR-UHFFFAOYSA-N 360.051 4.915 0 40 FJAB Cc1ccc2cccc(C(=O)NCc3cncc(-c4ccsc4)c3)c2n1 206945888 JAMGGHYYFAKAOC-UHFFFAOYSA-N 359.454 4.597 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCCC2 223137385 AWCTWHDFXKZWEN-HSZRJFAPSA-N 373.500 4.691 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(C)c1 223512169 WGGMAMZBYWTNQF-FXAWDEMLSA-N 355.478 4.655 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1cccc2ccccc12 223551291 OCQBSVRBGONYNF-FQEVSTJZSA-N 363.457 4.501 0 40 FJAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1Cl 224138745 ZTTUWESUBHKGHF-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3SC)o2)c1 224850075 NBFCACCYGXCENQ-UHFFFAOYSA-N 368.458 4.643 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224893715 SNXFSRLICBQPPY-KRWDZBQOSA-N 367.367 4.998 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 225027109 LFRJMIRHJLIRES-QGZVFWFLSA-N 369.461 4.516 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOc2ccc(C)c(C)c2)c1 225176830 FTXYVRKLUJISOB-LJQANCHMSA-N 369.505 4.698 0 40 FJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)nc1C 225906532 AXSKENZFNUVJJJ-UHFFFAOYSA-N 350.503 4.595 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2cnccn2)cc1 257272304 NBXFIQCUGQEBNC-JOCHJYFZSA-N 373.456 4.569 0 40 FJAB O=C(CSCc1ccccc1Br)Nc1cccc(Cl)c1 408775671 JVDULCOZACTUIQ-UHFFFAOYSA-N 370.699 4.974 0 40 FJAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(Cl)cc1Cl 408810319 IQNKARRURBCOFD-UHFFFAOYSA-N 368.240 4.895 0 40 FJAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1 575610112 KEWSGIGLPXGOHZ-RTWAWAEBSA-N 365.498 4.759 0 40 FJAB CC(C)(NC(=O)Nc1ccc2n[nH]cc2c1)c1cccc(C(F)(F)F)c1 1776002351 NJCGQCULIFPLRN-UHFFFAOYSA-N 362.355 4.639 0 40 FJAB CCn1c(CNc2cccc(Cl)c2)nnc1SCc1ccccc1 649481 MOLFMUMKEXCLQB-UHFFFAOYSA-N 358.898 4.856 0 40 FJAB NC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCCC2 672823 HWGSGTZKHIYDRS-UHFFFAOYSA-N 364.470 4.521 0 40 FJAB COc1ccc(C(=O)Oc2ccc(Sc3ccc(O)cc3)cc2)cc1 1017094 KLCLUABHRHCZAX-UHFFFAOYSA-N 352.411 4.771 0 40 FJAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Br)cc1 1100124 UONIHMXZLQNXQK-UHFFFAOYSA-N 359.267 4.692 0 40 FJAB Cc1ccc(N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 3109650 GWCZBKNSRXZNEH-INIZCTEOSA-N 371.695 4.842 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1Cl 3603148 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Cc1ccc(Cl)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1Cl 29482951 DICBQRJOAHGLJV-INIZCTEOSA-N 363.288 4.860 0 40 FJAB C[C@@H]1CCCN(C(=O)c2ccc(OCCSc3ccccc3)cc2)C1 38754138 CMZKTYGQWKSONN-QGZVFWFLSA-N 355.503 4.730 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38856936 YPZRMCOTCHJECI-LJQANCHMSA-N 354.469 4.547 0 40 FJAB CCCC(=O)Nc1ccc(-c2nc(Nc3cc(C)nn3C)sc2C)cc1 40051928 DLDHPVFVJKHILH-UHFFFAOYSA-N 369.494 4.643 0 40 FJAB O=C(COc1ccccc1F)Nc1nc(-c2cccc(Cl)c2)cs1 40089235 RTFZJYQXBFHTHG-UHFFFAOYSA-N 362.813 4.620 0 40 FJAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(C)cc1C 44856728 UDVBVEAESNBZQT-JOCHJYFZSA-N 361.489 4.738 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1OC(F)(F)F 48272744 YHGFHJCQEXJBLZ-UHFFFAOYSA-N 362.307 4.801 0 40 FJAB Fc1ccc(-c2cnc(SCc3noc(-c4cccs4)n3)[nH]2)cc1 57707051 VLSXLDVUPUCDCV-UHFFFAOYSA-N 358.423 4.620 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)CC[C@@H]3CCCO3)s2)c(C)c1 60338826 ODTRANUSEBYZFJ-WBVHZDCISA-N 372.534 4.813 0 40 FJAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C 72272858 VBLZVNNAKXXYRG-RBUKOAKNSA-N 373.924 5.000 0 40 FJAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cc(Br)ccc2n1 78401644 KWEAKHDXXKYHHM-UHFFFAOYSA-N 357.207 4.748 0 40 FJAB COc1ccc2ccn(Cc3csc(C4CCCCC4)n3)c(=O)c2c1 89467176 VHIXJSWJHFJEII-UHFFFAOYSA-N 354.475 4.563 0 40 FJAB NC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 98054497 STUAKQNRSBEADM-ZHACJKMWSA-N 352.796 4.613 0 40 FJAB CCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 102681218 SMRSKJBRKKDNMS-HNNXBMFYSA-N 360.870 4.715 0 40 FJAB Cc1ccc(CSCCNC(=O)COc2cccc3ccccc23)cc1 218908369 FTQDMODNNJBEHJ-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(C)cc1C 219282347 PUUMWWZJWPFASI-LJQANCHMSA-N 355.478 4.521 0 40 FJAB COc1ccc(C)cc1NC(=O)CSCc1ccc(Cl)cc1F 224054371 XFYQPXGARLMMIZ-UHFFFAOYSA-N 353.846 4.668 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCCC2)cc1 224873609 PYTNWQILPIHNFW-UHFFFAOYSA-N 364.367 4.828 0 40 FJAB Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 225542797 QUVQDOMTOJBFBF-UHFFFAOYSA-N 361.470 4.529 0 40 FJAB Fc1ccccc1CSCCCNC(=S)Nc1c(F)cccc1F 225612569 KEHQMGBLMJNHMK-UHFFFAOYSA-N 370.465 4.714 0 40 FJAB Fc1cc(Br)ccc1NC(=S)NC1(C2CC2)CCCC1 225861219 SKBDJQYGAZVMNE-UHFFFAOYSA-N 357.292 4.597 0 40 FJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)n1 225917617 MXNTWZCYECXYQA-UHFFFAOYSA-N 352.825 4.743 0 40 FJAB Cc1cc(NC(=O)COc2ccc(C3SCCS3)cc2)ccc1F 408567395 DMAAGSZYKKKHET-UHFFFAOYSA-N 363.479 4.630 0 40 FJAB CCOc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 408628963 YRSNHIKACGVCCO-UHFFFAOYSA-N 372.424 4.824 0 40 FJAB O=C(CCc1ccccc1Br)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008900 RMMAPWBGKHYLAM-IRXDYDNUSA-N 360.295 4.626 0 40 FJAB CCc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c2c1CCCC2 1472260 KPUBHFMYCWNOSB-UHFFFAOYSA-N 351.475 4.572 0 40 FJAB O=C(O)CC1(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCCC1 1498903 IIGVGMVWPNBKTM-UHFFFAOYSA-N 353.418 4.843 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 1903706 OBVPASGMOKOUGI-AWNIVKPZSA-N 357.837 4.949 0 40 FJAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 2279130 FFVZYRHLVHZFFH-STZFKDTASA-N 373.383 4.749 0 40 FJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Cl)s1 2483582 DKBSTEUKIDYVON-UHFFFAOYSA-N 351.836 4.655 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2s1 3229936 UNZCHMPHYXAURC-GHMZBOCLSA-N 354.928 4.831 0 40 FJAB Cc1cc(NC(=O)Cc2c(Cl)cccc2Cl)n(-c2ccccc2)n1 3358790 COSXTCOXSPGPTC-UHFFFAOYSA-N 360.244 4.669 0 40 FJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(F)c(F)cc1Cl 3414111 IHMJISNKFXXMDY-UHFFFAOYSA-N 370.871 4.537 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 3603188 MQYCFHAEULFIAO-JTQLQIEISA-N 358.652 4.731 0 40 FJAB ClC(Cl)(Cl)C(n1ncc2ccccc21)n1ncc2ccccc21 4016307 HLASUWSKRSNNIO-UHFFFAOYSA-N 365.651 4.803 0 40 FJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCC4=CCCCC4)[C@H]3C=C12 4041121 HXYJGBLGTALODR-IVVFSKFDSA-N 357.538 4.781 0 40 FJAB biogenic Cc1ccc2nc(NC(=O)CCC(=O)O[C@H]3CC[C@@H](C)[C@H](C)C3)sc2c1 4686048 MGGCOHQHXRYZCS-KFWWJZLASA-N 374.506 4.691 0 40 FJAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 5417160 VJTQCUWRSRWMOR-HNNXBMFYSA-N 366.490 4.645 0 40 FJAB O=C(NCCC1=CCCCC1)c1cc(-c2cccnc2)nc2ccccc12 8025446 BGASRKVPUIARQL-UHFFFAOYSA-N 357.457 4.917 0 40 FJAB CN(Cc1ccc(F)cc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S 8111026 KBBLTKXCNICXJF-UHFFFAOYSA-N 374.510 4.706 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 8139847 ZKVANZJOYTZVNP-UHFFFAOYSA-N 363.244 4.681 0 40 FJAB CC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8192090 YLVRNLWIHOICEU-UHFFFAOYSA-N 357.866 4.659 0 40 FJAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cccc(Cl)c2)s1 9359915 YTNDVFQTGIIKPY-OAHLLOKOSA-N 357.866 4.986 0 40 FJAB COc1cc(NC(=O)[C@@H](C)Sc2ccc3ccccc3c2)cc(OC)c1 10439975 BTWNPFFGHUNIPM-CQSZACIVSA-N 367.470 4.976 0 40 FJAB COc1ccc2cc(CNC(=O)N(C)[C@@H](C)c3ccc(F)cc3)ccc2c1 10496109 RSOHOHVSAJXQRU-HNNXBMFYSA-N 366.436 4.890 0 40 FJAB Cc1ccsc1-c1nnc2sc(-c3ccc(F)c(Cl)c3)nn12 12391235 WHCKYSMHJYRAJR-UHFFFAOYSA-N 350.831 4.682 0 40 FJAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1 15967046 ORLSSBVOTUBKDA-QGZVFWFLSA-N 361.441 4.765 0 40 FJAB CC[C@H](C)N(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@@H](C)CC 19316464 ZKAPOWNFQZVGRH-HOTGVXAUSA-N 373.566 4.827 0 40 FJAB CCN(CC)Cc1ccccc1NC(=O)c1cc2cc(F)ccc2nc1C 19718116 ULXGACWAJQCWHF-UHFFFAOYSA-N 365.452 4.776 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C 20025576 LRBLRGMBUKTLCV-ZDUSSCGKSA-N 362.267 4.647 0 40 FJAB CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20312975 ZYITYQKLGBSLRP-MRXNPFEDSA-N 369.852 4.642 0 40 FJAB O=C(COc1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 21840286 HQMRYVBPEBBNJR-OAQYLSRUSA-N 351.833 4.625 0 40 FJAB Cc1oc(-c2cccs2)nc1COC(=O)c1cccc2ncccc12 22379593 DEPGSKJCPXQBNX-UHFFFAOYSA-N 350.399 4.617 0 40 FJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 23389634 DWMIJSCKAGJYFA-INIZCTEOSA-N 363.461 4.670 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccc(F)cc2)c2ccccc2)c1 24840985 KEPVUFMNVVVOSD-QFIPXVFZSA-N 362.448 4.912 0 40 FJAB Cc1ccc([C@H](NC(=O)Nc2ccc3c(c2)OCO3)c2cccs2)cc1 32869821 KCGJDKWOMPHKMX-IBGZPJMESA-N 366.442 4.696 0 40 FJAB OC1=Nc2c(ncn2-c2ccc(Br)cc2)[C@@H](c2cccs2)C1 36360594 FLXCJKRLFHWLNY-GFCCVEGCSA-N 374.263 4.820 0 40 FJAB COc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 44665522 AQBMJHPTZIVIEL-UHFFFAOYSA-N 356.491 4.503 0 40 FJAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2C)CC1)c1ccc(C)cc1 44935727 ARIYMTRCDYAYQP-QHCPKHFHSA-N 364.533 4.783 0 40 FJAB Cc1cccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2Cl)c1 45891553 YMXVHZUOVWHVAY-UHFFFAOYSA-N 352.246 4.746 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC(Nc2ccccc2)CC1 48292032 CXMFCEGWMSYNPS-UHFFFAOYSA-N 361.489 4.594 0 40 FJAB C[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 48345928 ZYUTWOURBULKNR-GOSISDBHSA-N 373.452 4.779 0 40 FJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(F)c1)NC2 55211423 IOPCYZYLUCKTBM-QFIPXVFZSA-N 366.436 4.606 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 59211010 QJYBWQVFCDSKSW-CYBMUJFWSA-N 362.267 4.979 0 40 FJAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCCc2c1[nH]c1ccccc21 96223929 GYBLUGRXZIYHHC-HXUWFJFHSA-N 357.457 4.707 0 40 FJAB O=C1C[C@@H](c2cc(Cl)ccc2Cl)c2c(-c3ccccc3)n[nH]c2N1 96319265 UCSOKYRGGXJILS-ZDUSSCGKSA-N 358.228 4.858 0 40 FJAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCS[C@H](c2ccco2)CC1 219414790 KNCHORZSRZXCIN-INIZCTEOSA-N 369.408 4.548 0 40 FJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1 223389808 JGWGYUCKALKLPF-LBPRGKRZSA-N 354.302 4.833 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(C)c1 223546434 AVZKTUYLRDAFNF-HKUYNNGSSA-N 355.478 4.655 0 40 FJAB Cc1cccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 223913326 XWWVOORDKAZPLH-UHFFFAOYSA-N 357.866 4.790 0 40 FJAB O=C(CCCOc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 223942639 JRQJQJFJRNCVPT-UHFFFAOYSA-N 373.865 4.656 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2CCc2ccccc2)c1 224017143 PNWWVHTVUWYYNE-UHFFFAOYSA-N 373.496 4.897 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 224192800 IOAMWBOMVVWQNA-UXHICEINSA-N 362.502 4.512 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1C(C)C 224225776 CYPCCALSUAQBRW-UHFFFAOYSA-N 355.478 4.783 0 40 FJAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225406799 XRLDJOXWSAWVLG-AWEZNQCLSA-N 370.518 4.818 0 40 FJAB COc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N 226331609 KGFFUIZBXVHVQJ-HZPDHXFCSA-N 367.493 4.605 0 40 FJAB COCC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl 247835189 MAJIRUVPKHLZOW-UHFFFAOYSA-N 359.636 4.789 0 40 FJAB CC(C)Cn1ncc(NC(=O)c2cc(F)c(F)cc2Cl)c1C(F)F 534213205 JFMYKOPKKQWLIA-UHFFFAOYSA-N 363.742 4.661 0 40 FJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)cc1 1772491277 NBEAIDQVVDHRNO-LJQANCHMSA-N 369.461 4.703 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccs3)c2)cc1 993013 IZCFBDJKEDIHTE-HNNXBMFYSA-N 365.454 4.959 0 40 FJAB O=C(c1cnc2onc(-c3ccc(Cl)cc3)c2c1)c1cc(F)ccc1O 2654123 KLFLQKYSDQDPPJ-UHFFFAOYSA-N 368.751 4.619 0 40 FJAB Cc1ccc(Nc2nc(COC(=O)/C=C/c3ccc(C)o3)cs2)cc1 2664740 VHJRYYVFTVEOLT-MDZDMXLPSA-N 354.431 4.853 0 40 FJAB O=C(CCC(=O)c1ccc(F)cc1)OCc1c(Cl)cccc1Cl 3253971 CZSIGIHHAIAOCS-UHFFFAOYSA-N 355.192 4.839 0 40 FJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nncs1)c1ccccc1 3389510 DRACVXRPCWJKPR-QGZVFWFLSA-N 351.456 4.736 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccccc4)c23)C1 4056423 JIOXAWQVKPPTIU-GFCCVEGCSA-N 354.500 4.791 0 40 FJAB CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 4540019 WLKKASIEYSRFHU-QFIPXVFZSA-N 371.436 4.956 0 40 FJAB CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc3ccccc23)CC1 4551362 SKRCCVUTVRKMNP-UHFFFAOYSA-N 372.468 4.964 0 40 FJAB CC(=O)N1c2ccccc2[C@H](N(C(=O)C(C)(C)C)c2ccccc2)C[C@H]1C 4590543 JLNBDQQOBFYYLP-IIBYNOLFSA-N 364.489 4.952 0 40 FJAB Cc1ccn2c(NCc3ccc4c(c3)OCO4)c(-c3cccs3)nc2c1 4848444 QEWIWAXFJBQEPC-UHFFFAOYSA-N 363.442 4.712 0 40 FJAB O=C1S/C(=C\c2cc(Cl)ccc2Cl)C(=O)N1c1cccc(O)c1 5376210 CROIOMBBWCWSIQ-AUWJEWJLSA-N 366.225 4.940 0 40 FJAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCCC2)ccc1Cl 6123056 SDKWPSMEUHRUIS-UHFFFAOYSA-N 358.869 4.656 0 40 FJAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccc(O)cc1 6590564 RNMNPGGSJVRNKR-OAHLLOKOSA-N 354.456 4.507 0 40 FJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O 6655276 ILBGYZUJLJABQX-GXDHUFHOSA-N 369.870 4.584 0 40 FJAB C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccco1 7291077 ODYFLWVZSFFEOF-CQSZACIVSA-N 355.821 4.856 0 40 FJAB CC(=O)Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 7605067 MQXBGIDESFLRMX-UHFFFAOYSA-N 359.838 4.641 0 40 FJAB COCc1c(C(=O)Nc2ccc(-c3nccs3)cc2)oc2ccccc12 7985912 VPAVHHQFTVJPQI-UHFFFAOYSA-N 364.426 4.955 0 40 FJAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 9063597 YRLIGBOYJFGZRH-UHFFFAOYSA-N 354.469 4.602 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4cccc(F)c4F)c(=O)c23)s1 9252918 DDLOPZLFJANEOM-UHFFFAOYSA-N 374.437 4.821 0 40 FJAB COc1ccc2cc(CNC(=O)NCc3cccc(Cl)c3)ccc2c1 9710530 MZGLVPZMRQYLHU-UHFFFAOYSA-N 354.837 4.501 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 10277951 CBSRXWAJHHTJGD-UWJYYQICSA-N 368.477 4.665 0 40 FJAB CC1(C)Cc2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)ccc2O1 10299102 PIVWYKZOWKEAMD-UHFFFAOYSA-N 364.441 4.528 0 40 FJAB O=C(COc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 10881030 KWTDVSDEJNDAKH-UHFFFAOYSA-N 368.864 4.606 0 40 FJAB O=C(CNc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1cccs1 11124682 IRZCAEAKGNUSNK-LJQANCHMSA-N 356.878 4.719 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(Cl)cc1 12747302 WLPJPDIXZBQBNU-LLVKDONJSA-N 362.907 4.945 0 40 FJAB COc1ccccc1CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12855350 HHENDWFHFLPLRB-UHFFFAOYSA-N 372.877 4.744 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12870103 BCWQXPJEIKQFIN-NRFANRHFSA-N 351.471 4.595 0 40 FJAB O=C(Cc1csc(-c2ccco2)n1)Nc1cc(Cl)ccc1Cl 12899881 HRUXDGXQGKOUJM-UHFFFAOYSA-N 353.230 4.891 0 40 FJAB CCOc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2CC)cc1OC 12992968 ZYXTZDCOFRATAG-LKUPDRCFSA-N 371.502 4.705 0 40 FJAB COc1ccc(CN(Cc2ccncc2)Cc2ccccc2C)cc1OC 13989902 OGTVXHUOSKACHZ-UHFFFAOYSA-N 362.473 4.610 0 40 FJAB CC[C@@H](C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 15390145 QVOHFSPXJOWZJN-HUUCEWRRSA-N 357.450 4.623 0 40 FJAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4cccs4)nc3c12 15842311 QZSCOXGDWIRPNE-UHFFFAOYSA-N 363.421 4.553 0 40 FJAB C[C@H](Sc1ccccc1Br)C(=O)Nc1cccc(F)c1 16549023 ZHNYISVMRUSMNS-JTQLQIEISA-N 354.244 4.708 0 40 FJAB Cc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)ccc1F 16840584 XIKHHTJAJQYXNX-UHFFFAOYSA-N 360.385 4.659 0 40 FJAB Fc1ccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)cc1 20477332 FZKIFTYFXDFFDN-UHFFFAOYSA-N 364.464 4.840 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2cc(-c3ccccc3)no2)cc1Cl 27664399 APYCCUZHBXOBQO-UHFFFAOYSA-N 363.200 4.909 0 40 FJAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc3cccnc23)o1 27980321 SXJGCVUDXGNZHT-UHFFFAOYSA-N 374.396 4.668 0 40 FJAB CCCn1ccnc1SCc1nc2ccccc2c(C)c1C(=O)OCC 32752748 DFXMDLHLBKMJKL-UHFFFAOYSA-N 369.490 4.619 0 40 FJAB S=C(Nc1ccccc1Cl)N1CCC(n2cnc3ccccc32)CC1 35291832 JMSWKKQFXJNFSI-UHFFFAOYSA-N 370.909 4.724 0 40 FJAB CC(C)c1noc2ncc(C(=O)NC3CCC(c4ccccc4)CC3)cc12 40070318 HCJZLHJZUBMKER-UHFFFAOYSA-N 363.461 4.802 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCCc2ccc(F)cc21 40117276 JKVUJJHZFUHJJQ-UHFFFAOYSA-N 358.463 4.533 0 40 FJAB O=[S@@](CCCOc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 58131538 MXSJLRJRKPATOP-XMMPIXPASA-N 360.372 4.562 0 40 FJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 59351930 LFAZVVYYCRBXDW-JKSUJKDBSA-N 355.478 4.637 0 40 FJAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72214428 YFKHCEBUNWUNAQ-LJQANCHMSA-N 367.493 4.790 0 40 FJAB COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 72348927 KKNMOCCHVIFDGZ-GOSISDBHSA-N 359.473 4.532 0 40 FJAB CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](O)CO 85425978 WECGLUPZRHILCT-BKVARQJPSA-N 354.531 4.696 0 40 FJAB Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(SC(F)F)cc1 95964533 ORZORKHDWGEPNQ-UHFFFAOYSA-N 359.401 4.748 0 40 FJAB COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCCC(=O)O 96010314 PXBXEFIUYVKPSY-XVNBXDOJSA-N 373.792 4.514 0 40 FJAB C[C@@H]1[C@@H](NC(=O)CSc2nc3ccc(Cl)cc3o2)CCC[C@H]1C 102360082 CEPPNJBXOSVDAR-MDZLAQPJSA-N 352.887 4.514 0 40 FJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 214597164 OHZNIPIRSZERRL-LDADJPATSA-N 353.443 4.630 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc(Cl)c1 219292316 OFXJUZAAUJUGRB-RDTXWAMCSA-N 373.880 4.834 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222668603 XKEMNXDSZLGIFI-UHFFFAOYSA-N 374.484 4.941 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 223783311 FBAFGIJLCZLFQR-UHFFFAOYSA-N 369.461 4.621 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)s1 224152799 WPPXEMMCGAOANH-ROUUACIJSA-N 351.500 4.629 0 40 FJAB CCCNC(=O)c1ccc(OCC)c(COc2ccc3ccccc3c2)c1 224637876 DRKRMVKBUXFGMT-UHFFFAOYSA-N 363.457 4.957 0 40 FJAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cc(Cl)cc(Cl)c1 225428901 NQUGGOZJTJQGQK-UHFFFAOYSA-N 350.249 4.555 0 40 FJAB O=C(c1ccc(NC(=S)NC2CCCCCCC2)cc1)N1CCCCC1 225518272 MZRATMUAEBKGOB-UHFFFAOYSA-N 373.566 4.712 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 225707511 MSWVKXRDPWXNFX-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccccc2)cs1 705355 UCRCTHVFJOLZHF-UHFFFAOYSA-N 360.438 4.981 0 40 FJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCCO2 850287 ZGSYGYMWMRAMRU-UHFFFAOYSA-N 372.380 4.518 0 40 FJAB CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1ccco1 1094915 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Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc2c1C 7735433 PFQCXHRYGASJKZ-ZDUSSCGKSA-N 370.836 4.622 0 40 FJAB CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1 7917071 LIUIMUMDFOKPKB-UHFFFAOYSA-N 370.305 4.693 0 40 FJAB Cc1ccc(C)c(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 7917801 ZERVCYDVINEZPI-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(Cl)c(Cl)c1 7943981 OFQZCJPEZWLEPA-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB O=C(NCCCOc1ccccc1)C1c2ccccc2Oc2ccccc21 8115432 BCMGNWLULZLDOF-UHFFFAOYSA-N 359.425 4.510 0 40 FJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10339180 QBVLYOMXIFEMBN-UHFFFAOYSA-N 353.462 4.732 0 40 FJAB COc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 12274739 HQLQZUXFNZMYQL-UHFFFAOYSA-N 355.821 4.847 0 40 FJAB O=C1C[C@H](c2ccccc2OCc2ccccc2F)c2sccc2N1 12375576 FAYMAGOCOMTTNY-OAHLLOKOSA-N 353.418 4.940 0 40 FJAB COc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 14142417 OQXWAGHQLXOFKA-KRWDZBQOSA-N 360.457 4.652 0 40 FJAB CCc1ccccc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1 16850223 AOQDWMDXJLKLRB-UHFFFAOYSA-N 355.438 4.769 0 40 FJAB Cc1cccc(O[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1 17073226 BETFKNKYMUBCGY-INIZCTEOSA-N 353.491 4.864 0 40 FJAB Cc1c2c(nc3nc4ccccc4n13)C[C@@H](c1ccc(Cl)cc1)CC2=O 20635353 DZFQECVLCQSEDX-CQSZACIVSA-N 361.832 4.757 0 40 FJAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2cccc(F)c2)o1 20728717 IBMXCULUYAAUMT-HNNXBMFYSA-N 355.394 4.571 0 40 FJAB Cc1nc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)sc1C 21468279 LGYMSFCVTSXBFQ-UHFFFAOYSA-N 365.458 4.514 0 40 FJAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)cc1)N1CCCCC1 35478571 NHCYZVZCRNSUFZ-UHFFFAOYSA-N 367.399 4.883 0 40 FJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cccc(Cl)c1 36360228 OVIYYXUZCNBOKO-HNNXBMFYSA-N 353.809 4.658 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 44447534 VWITZHXCGBLATE-UHFFFAOYSA-N 357.397 4.740 0 40 FJAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 46809192 ACEQBQOMCNQFQD-INIZCTEOSA-N 356.897 4.644 0 40 FJAB CCC[C@H](C)N(C)C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 58198032 FQBBDVQLRSFRNP-KKSFZXQISA-N 372.484 4.948 0 40 FJAB Cc1ccc(C)c2sc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)nc12 59257841 OLAZCBXIIUQHKL-UHFFFAOYSA-N 368.506 4.994 0 40 FJAB CCOc1cc2c(c3[nH]c(C(=O)N(CC)c4ccccc4)cc13)O[C@@H](C)C2 65552592 NGKOFISGXHYAII-AWEZNQCLSA-N 364.445 4.557 0 40 FJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C)n1 67296650 KZHNVGZYZXBHRQ-BZZOAKBMSA-N 369.424 4.929 0 40 FJAB CSc1ccccc1C(=O)N(CCc1cccs1)Cc1ccco1 75154760 IIRDGMVJUZYHBO-UHFFFAOYSA-N 357.500 4.948 0 40 FJAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cc2cccc(C)c2nc1Cl 79098419 DGSKVBDNVISFKB-KRWDZBQOSA-N 369.877 4.956 0 40 FJAB C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc2c(c1)CCO2 84651771 ZKEBKADXPMEOSC-NSHDSACASA-N 359.351 4.757 0 40 FJAB Oc1nnc(-c2ccc(Cl)cc2)cc1Cc1cccc(OC(F)F)c1 95474615 BCZDEXSIEKEUJH-UHFFFAOYSA-N 362.763 4.695 0 40 FJAB Cc1cc(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c(C)n1C1CC1 95954411 HORSXNNMYPINMF-UHFFFAOYSA-N 371.387 4.842 0 40 FJAB O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccc(Cl)s1 96122958 GVXCWSFXODFNIV-UHFFFAOYSA-N 369.920 4.609 0 40 FJAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C(C)(C)C)cc1 219211644 HJQVKPGAFZVEFO-INIZCTEOSA-N 364.489 4.602 0 40 FJAB COC(=O)c1cn(C(=O)CCSc2ccc(C)cc2)c2ccccc12 222572079 LZXHHZJDYUXIMG-UHFFFAOYSA-N 353.443 4.559 0 40 FJAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222600581 OMDLFLVNNSVMJS-DQLDELGASA-N 374.513 4.770 0 40 FJAB CCC1(CC)C[C@H](NS(=O)(=O)c2cc(C)ccc2C)c2ccccc2O1 222665508 KNOARNRJZBGSJE-SFHVURJKSA-N 373.518 4.664 0 40 FJAB Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCCC2)cc1Cl 224188256 GGPRCUOHQPHRMB-UHFFFAOYSA-N 357.881 4.655 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 224288322 FHHHYMXJRPRSNH-WOJBJXKFSA-N 363.486 4.777 0 40 FJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224388256 NDIFPMGNFKXLII-SJORKVTESA-N 369.490 4.768 0 40 FJAB CCc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225681834 QDAUOWDIQSENNR-SFHVURJKSA-N 370.518 4.846 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccccc2C)c(C)c1 225754246 RSQVVCVXVXRELN-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)c1 225813640 HVHPKRGHYRUQQV-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1Cl 675008307 PYJVDPXUXDFWQZ-CQSZACIVSA-N 363.891 4.593 0 40 FJAB Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)c(Br)cc1F 1204914209 CHDVAHUQOOKZGC-LBPRGKRZSA-N 352.247 4.795 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1C 1628548247 OFLGLGASWUVKIM-UHFFFAOYSA-N 359.351 4.965 0 40 FJAB COc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 875808 CGABUNOPYGQWGR-UHFFFAOYSA-N 374.469 4.630 0 40 FJAB CCC(=O)N(CCc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 929108 DTLXSLJJHHEUHT-UHFFFAOYSA-N 366.486 4.804 0 40 FJAB Cc1cc2nc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)[nH]c2cc1C 1388511 UFIBLMCUMSRDFA-SFHVURJKSA-N 355.869 4.960 0 40 FJAB Cc1nc2c(-c3ccsc3)cnn2c(C)c1Cc1ccc(Cl)nc1 1393758 MDTNWHHSCMZTLX-UHFFFAOYSA-N 354.866 4.714 0 40 FJAB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 1441152 ZGKFXPQXAXFXAJ-MRXNPFEDSA-N 364.923 4.793 0 40 FJAB CCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 2376438 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CCOc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O)s1 5023169 SGKJYDAFDJKAFJ-UHFFFAOYSA-N 354.431 4.580 0 40 FJAB Cc1ccc(C)c(-c2nc(Nc3ccccc3F)sc2CC(=O)O)c1 5023199 KSZFQRRYWKGTPK-UHFFFAOYSA-N 356.422 4.937 0 40 FJAB CCCCCOc1ccc(NC(=O)C(=O)NC[C@H](CC)CCCC)cc1 5245152 YPKZSCLHIIVSKT-QGZVFWFLSA-N 362.514 4.527 0 40 FJAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 5268300 CURCWDFUQLIEGP-UHFFFAOYSA-N 352.843 4.845 0 40 FJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1OC)N2 6630665 TYEFHYXCYRRWLL-TYCQWZJGSA-N 367.445 4.506 0 40 FJAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)Cc1cccc(F)c1 6639020 VEEUYKDWXUJVKG-LLVKDONJSA-N 355.240 4.592 0 40 FJAB Cc1sc(NC(=O)c2n[nH]c3ccccc23)nc1-c1ccc(Cl)cc1 7139022 GPPWZHIUXCMGHM-UHFFFAOYSA-N 368.849 4.901 0 40 FJAB CCCCN(C(=O)c1cccnc1SC)c1nc2ccccc2s1 7778628 FTTXMWRWVYTTOF-UHFFFAOYSA-N 357.504 4.860 0 40 FJAB Cc1ccc(F)cc1NC(=O)COc1ccc(OCc2ccccc2)cc1 7970839 XCIHIXJZDRMGNX-UHFFFAOYSA-N 365.404 4.731 0 40 FJAB COc1cc(CN(C)C(=O)[C@@H]2CC=CCC2)ccc1OCc1ccccc1 7984809 KVCFACCRXNAYCI-HXUWFJFHSA-N 365.473 4.589 0 40 FJAB CC(C)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 8344757 DXOJZXOQFUWGJE-HSZRJFAPSA-N 371.484 4.516 0 40 FJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@H]2CCCC[C@@H]21 8395575 DSFQEXXNYRHAOA-MSOLQXFVSA-N 371.912 4.688 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)cc1Cl 10031468 QDIBEIFLZLJAHK-HNNXBMFYSA-N 368.264 4.545 0 40 FJAB Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)ccc1Cl 10874426 JTKAMIXULIBESH-FQEVSTJZSA-N 365.816 4.703 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)N[C@H](c1ccccc1)C1CC1 11201288 CJDZEUVXLTYHHY-GOSISDBHSA-N 350.245 4.640 0 40 FJAB C1=C(c2ccccc2)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 12568647 QPAOWWUPSHHWFZ-UHFFFAOYSA-N 364.452 4.986 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OCC)cc2)cc1 12788691 NPMSGAARDNOQID-HZPDHXFCSA-N 356.466 4.605 0 40 FJAB Cc1sc2nc([C@H](C)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2c1C 12915365 LIRGAZUDMMVBST-QMMMGPOBSA-N 351.834 4.567 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 14022602 INPLEHBEDROHKL-FZKQIMNGSA-N 374.481 4.822 0 40 FJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 14075620 KRKVADZVTSNDHO-UHFFFAOYSA-N 370.499 4.985 0 40 FJAB Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2Cl)c2cccnc2)c1 15839838 ZEYCIIWJPKIYMZ-FQEVSTJZSA-N 350.849 4.871 0 40 FJAB Cc1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cccc1C(=O)O 20139871 XCIMUKDMSPSCQA-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)o1 20495957 KGYLKJLYDDESFQ-UHFFFAOYSA-N 371.824 4.774 0 40 FJAB Cc1cc(C(=O)Nc2cccc(C)c2C)c2c(C)nn(-c3ccccc3)c2n1 20578919 MYZANEIVFNSLSG-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB CC(C)c1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610333 CIOXFLPRQHIKGT-UHFFFAOYSA-N 374.419 4.935 0 40 FJAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2ccccc2)cc1 22518559 RXGKVIUJLSJQEZ-VGOFRKELSA-N 363.432 4.807 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1 28227300 WXEQVUBUFRPKKL-SECBINFHSA-N 357.237 4.685 0 40 FJAB C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c(O)c(OC)c1)O2 33832502 LYZVPGMCGPXCQO-FVFSBHJXSA-N 356.418 4.688 0 40 FJAB biogenic,in-vitro CC(=O)COC(=O)c1oc2ccccc2c1CSCc1ccccc1 35828347 MBSGNVWPKYNQDJ-UHFFFAOYSA-N 354.427 4.612 0 40 FJAB O=S(=O)(Cc1c(Cl)cccc1Cl)[C@@H]1CCCc2ccccc21 40127607 ZKJRNPSELZSKFZ-QGZVFWFLSA-N 355.286 4.986 0 40 FJAB CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCNC2)c(Br)c1 42770666 KRCRZTTVEPAOPW-OAHLLOKOSA-N 374.322 4.763 0 40 FJAB CCSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44938584 YWHAKFKWUBZTFR-KRWDZBQOSA-N 372.509 4.788 0 40 FJAB O=C(NCc1ccc(F)cc1)N(Cc1ccccc1C(F)(F)F)C1CC1 48312201 PVGLPLMCWGFKAW-UHFFFAOYSA-N 366.358 4.719 0 40 FJAB Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3Cl)co2)cc1 58331838 GOVFWMFBHQHHPZ-UHFFFAOYSA-N 355.825 4.668 0 40 FJAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 59475309 XHVVJWDFHYWGBY-VMPITWQZSA-N 364.272 4.819 0 40 FJAB FC(F)(F)c1nc(NCc2nc3ccccc3s2)c2ccccc2n1 60847006 ROVNRWQNVBLJNZ-UHFFFAOYSA-N 360.364 4.870 0 40 FJAB CCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)cc1 72242834 JUXUCJNWRHOWLI-HXUWFJFHSA-N 366.848 4.653 0 40 FJAB Cc1cccc(Cc2cnc(NC(=O)N[C@H](C)c3ccc(C)o3)s2)c1 72280721 FXLXXTWDHGLKMM-CQSZACIVSA-N 355.463 4.826 0 40 FJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2cccs2)CC1 75157188 HRMLXZDUELOYLJ-UHFFFAOYSA-N 355.381 4.667 0 40 FJAB Cc1cccc(NC(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1C 84218971 FYMWKCXAMATYDS-QZTJIDSGSA-N 365.521 4.582 0 40 FJAB CC(C)[C@H](O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509782 RKUJDWLGUKQWIX-HNNXBMFYSA-N 368.271 4.876 0 40 FJAB CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2C1CCCC1 100424288 AHSYATVYHAXTJO-RTBURBONSA-N 371.525 4.535 0 40 FJAB COc1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1 102720272 ZXSHJRHTPDDONI-UHFFFAOYSA-N 363.442 4.585 0 40 FJAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717912 DSZKELGGTYAWJS-MRXNPFEDSA-N 370.880 4.674 0 40 FJAB O=S1(=O)C(c2ccccc2Cl)=C(O)C(O)=C1c1ccccc1Cl 104259956 ULIHRPBVESNGFO-UHFFFAOYSA-N 369.225 4.575 0 40 FJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222840287 VOMNGXLZMNUVQB-OAHLLOKOSA-N 363.910 4.633 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222947374 JVPOREKUIFJHLG-LSDHHAIUSA-N 357.881 4.864 0 40 FJAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(C)cc1 224471946 ZUSHUBYWNWLYNT-UHFFFAOYSA-N 355.478 4.749 0 40 FJAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccc(Cl)cc1 224496048 SAALCWSEAHSQLQ-UHFFFAOYSA-N 361.869 4.704 0 40 FJAB Cc1cccc([C@H](NS(=O)(=O)c2ccc(F)c(C)c2)c2ccccc2)c1 225608805 VTXAIYKLPYVWCM-OAQYLSRUSA-N 369.461 4.510 0 40 FJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1F 225843143 OEAZTDNHCWRYGP-UHFFFAOYSA-N 353.780 4.962 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c(C)c1 225933933 AJRXMEUJLYCGNA-UHFFFAOYSA-N 371.480 4.987 0 40 FJAB C[C@H](c1ccccc1)N1C[C@H](c2nc(C3CCCCCC3)no2)CC1=O 647695051 GSUIDQIERQRJAA-CRAIPNDOSA-N 353.466 4.585 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)C1(C)C 653828185 RLBSXCNVWJANRB-XJKCOSOUSA-N 361.436 4.847 0 40 FJAB C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1624344508 JJXQTXNSOMARLX-GUYCJALGSA-N 368.481 4.950 0 40 FJAB CC(C)C[C@@H]1OCCC[C@H]1Nc1ncnc2c(-c3ccccc3)nsc12 1639820155 FPCQMZKLUQQSQY-CVEARBPZSA-N 368.506 4.759 0 40 FJAB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C)Oc3ccccc3)c2)c1 713027 SWGCTJLAZUPZMF-QGZVFWFLSA-N 374.440 4.653 0 40 FJAB CC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccc(Br)cn12 904227 IOCQLEKOJAZBCO-UHFFFAOYSA-N 360.255 4.680 0 40 FJAB CC[C@@H](OC(=O)c1ccc(C)c(Br)c1)C(=O)c1ccccc1 991686 AVDDWSOSXGDMGS-MRXNPFEDSA-N 361.235 4.576 0 40 FJAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 1369546 ZGIWEUNNIIBBHF-PMACEKPBSA-N 359.583 4.631 0 40 FJAB Cc1ccccc1OCC(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 1430012 ZIAJXNHUELKJLP-UHFFFAOYSA-N 367.257 4.929 0 40 FJAB O=C(Nc1ccc2c(Br)ccc3c2c1CC3)c1ccccc1 1723074 JTLRSRPRTCKXLJ-UHFFFAOYSA-N 352.231 4.953 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 1801438 JNWPNVHHZXPXKW-UHFFFAOYSA-N 369.461 4.703 0 40 FJAB COc1cccc(-c2nc(N(C)C3CCCCC3)c3ccccc3n2)c1O 2238160 SMNZMUDNYWPHSS-UHFFFAOYSA-N 363.461 4.780 0 40 FJAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1 2887697 DDNZTCLRLHKLHX-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(C(F)(F)F)c1)CC3 3059565 DQFGKZWJVPPPHY-UHFFFAOYSA-N 367.326 4.758 0 40 FJAB CCC(=O)c1cc(Br)ccc1OC(=O)c1cccc(C)c1C 3398975 AWUZILVHSVLCPF-UHFFFAOYSA-N 361.235 4.878 0 40 FJAB Cc1ccc(OCCNC(=O)NC2c3ccccc3Oc3ccccc32)cc1 4694519 OCDBOAAYXMWSIF-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB CCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc21 5206651 TWVBEWVBFFGPTD-UHFFFAOYSA-N 356.433 4.510 0 40 FJAB COCCn1cc(NC(=O)Nc2ccccc2SC)c2ccccc21 5266497 FPVHDWRBOQZZNT-UHFFFAOYSA-N 355.463 4.654 0 40 FJAB COc1ccc(/C=C2\N=C(C)N(c3ccc4ccccc4c3)C2=O)cc1OC 5343836 IGIAMSPTAZNQDQ-NDENLUEZSA-N 372.424 4.663 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccnc1-c1nc2ccccc2s1 5451176 RGHDMWNBMPGXMU-CQSZACIVSA-N 371.465 4.950 0 40 FJAB CC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 5561735 DIIHXNPNCDWTGX-FUHWJXTLSA-N 357.251 4.729 0 40 FJAB Cc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C)n2)cc1 5753559 HEASNZDCEFRPNG-UHFFFAOYSA-N 352.459 4.753 0 40 FJAB C[C@H]1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1 6037520 YLRNESBGEGGQBK-SFHVURJKSA-N 359.510 4.819 0 40 FJAB in-man Cc1cc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc(C)c1Cl 6130560 WDYXRNDBJNQCMT-UHFFFAOYSA-N 364.829 4.723 0 40 FJAB O=C(Cc1ccccc1Cl)N[C@@H](c1ccc(F)cc1)c1cccs1 7736809 BNKJWZNKIBTOAI-IBGZPJMESA-N 359.853 4.989 0 40 FJAB COc1cc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 7814206 BPDUDOBTVYJAOK-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)c(F)c1 9690578 WLDUJIOMCBFBGZ-SNVBAGLBSA-N 364.442 4.570 0 40 FJAB CC(C)[C@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792917 MMGLWGWDNYPYOO-IERDGZPVSA-N 368.477 4.558 0 40 FJAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CCCc2ccccc21 10535859 VGKVONHPRLCABX-GFCCVEGCSA-N 366.408 4.560 0 40 FJAB O=C(c1ccc(Cl)cc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 11075302 FRUJFQYKHUBVEE-UHFFFAOYSA-N 354.812 4.890 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(OC(F)F)cc1 11510648 KGPDVBPYVRSOJQ-UHFFFAOYSA-N 367.395 4.814 0 40 FJAB C[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1 12514812 WUMXYPVSZZSKLW-KRWDZBQOSA-N 367.452 4.830 0 40 FJAB COc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1OC 12523841 ADLKJOPWLUIRLX-QFIPXVFZSA-N 357.413 4.693 0 40 FJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1Cl 13612345 AJYNQRRPFCQZTF-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB O=C(CNc1ccc(F)c(F)c1)Nc1ccc(OCc2ccccc2)cc1 14115819 NFCZXKSCMUVZFJ-UHFFFAOYSA-N 368.383 4.594 0 40 FJAB CCc1ccccc1NC(=O)C1=Cc2cc(Cl)cc(OC)c2OC=C1 15838684 FNQRLHMMRKMXSC-UHFFFAOYSA-N 355.821 4.839 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC)cc1OCC 16030635 WIQSXIXYUDCZPB-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB COc1cccc(CN[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 16228011 GPDMMEGQEBYRRA-OAQYLSRUSA-N 371.440 4.624 0 40 FJAB CC(C)C(=O)N1CCCc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 22504362 SJGIXCXEIBXBFP-UHFFFAOYSA-N 371.868 4.919 0 40 FJAB COc1ccc(-c2nc(COc3ccc(F)cc3F)cs2)cc1OC 24876388 ORAWLUCJKNIRRS-UHFFFAOYSA-N 363.385 4.685 0 40 FJAB COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3)cs2)cc1 31413145 ZBEYOTYGXSILFF-UHFFFAOYSA-N 370.499 4.691 0 40 FJAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(Cl)cc1 32610596 VOHUXJSUMXEHGR-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCCC1)c1ccc(F)cc1 32975362 UAOSMQDBVKNBIH-UHFFFAOYSA-N 374.843 4.748 0 40 FJAB COc1cccc2cc(-c3nnc(SCc4ccc(C)cc4)n3C)oc12 33789461 OHDAGMBNKBMSHY-UHFFFAOYSA-N 365.458 4.838 0 40 FJAB Cc1cccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCCC2)c1 35622146 BPXVFZNLBGBMOX-UHFFFAOYSA-N 367.884 4.896 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)cc1OC 40105460 WZFZIXVRDMGBEV-SFHVURJKSA-N 364.445 4.696 0 40 FJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccco1)C1CCCC1 70039740 SVPYDIQGOXCZKA-ACCUITESSA-N 365.882 4.678 0 40 FJAB O=C(Nc1cc(Cl)ccc1NC1CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 76093152 CODYRFADVJIYBZ-HUUCEWRRSA-N 362.807 4.935 0 40 FJAB O=C(Cc1cccc2ccccc12)NCc1ccc(Oc2ccccc2)nc1 89845837 NPEVQUGHUWKTQV-UHFFFAOYSA-N 368.436 4.886 0 40 FJAB CCOc1ccc(Cl)c(C(=O)N(CC)C23CC4CC(CC(C4)C2)C3)n1 95369512 MUYPZSDYCYJDPK-UHFFFAOYSA-N 362.901 4.565 0 40 FJAB CC(C)=CCOc1cccc(C(=O)Nc2ccccc2[C@H](O)C(C)C)c1 95451297 BHYJPNSQPBSXOK-OAQYLSRUSA-N 353.462 4.973 0 40 FJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2ccc(C(C)C)cc2)S1 95472577 CPXMAAWEPKMEMB-GOSISDBHSA-N 371.506 4.950 0 40 FJAB Cc1cc(C(=O)N2CCC(N(C)C)CC2)sc1-c1cccc(Cl)c1 102467804 LHGGKGQABONPSH-UHFFFAOYSA-N 362.926 4.543 0 40 FJAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 103007962 OATWVEOEZQIVDY-RYQLBKOJSA-N 372.468 4.570 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059297 FRJVNTYVBIVBHQ-YOEHRIQHSA-N 373.880 4.834 0 40 FJAB Cc1ccc(CSCC(=O)NCCOc2cccc3ccccc23)cc1 223508866 NBNGNWDIVNJZJZ-UHFFFAOYSA-N 365.498 4.577 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1ccccc1Cl 223665364 HHTJQFDUVYXJSZ-OUKQBFOZSA-N 357.881 4.846 0 40 FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 223765469 FWEIDLGVTMVTBK-KRWDZBQOSA-N 369.530 4.550 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3)o2)cc1 224856377 YVZZOWIWXSMMOO-UHFFFAOYSA-N 350.418 4.620 0 40 FJAB COc1ccc(CCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225315910 AOBDUACBNOOVKX-UHFFFAOYSA-N 370.518 4.546 0 40 FJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NC1CCCCCCC1 225809754 GPFQIJBJSAHRSX-UHFFFAOYSA-N 361.873 4.552 0 40 FJAB Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)ccc1I 226239580 GCPLSWITCMMISR-UHFFFAOYSA-N 368.605 4.796 0 40 FJAB Fc1ccc(Cc2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)cc1 257252411 JURWBQMIZAOBOE-HSZRJFAPSA-N 361.464 4.934 0 40 FJAB CCN(C(=O)c1ocnc1C(F)F)[C@H](c1ccc(C)cc1)c1cccnc1 625528149 CJXKDJLJFDBVQG-QGZVFWFLSA-N 371.387 4.567 0 40 FJAB CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ocnc1C(F)F 627542842 DPZCMWHJKIURNC-KRWDZBQOSA-N 356.800 4.653 0 40 FJAB FC(F)(F)c1cccc2c1CCN(c1nccc(Oc3ccccc3)n1)C2 1155449451 YIWBTLMRADOPNP-UHFFFAOYSA-N 371.362 4.850 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(F)cc2)N1c1ccc(F)cc1 1615161509 ZEFPMPOSKALWNL-PMACEKPBSA-N 370.443 4.627 0 40 FJAB CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 942411 MTNJTRZKMUFLBC-UHFFFAOYSA-N 352.459 4.951 0 40 FJAB O=C(Oc1ccc(F)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 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FJAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4703087 VEAMIMBQXGFZFN-LJQANCHMSA-N 364.489 4.638 0 40 FJAB COc1ccc(C(=O)Nc2nccs2)cc1C12CC3CC(CC(C3)C1)C2 4788430 NCJGLHCJDZFMSJ-UHFFFAOYSA-N 368.502 4.872 0 40 FJAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1C1CC1 5324712 FVWVNCTVFPLHKK-UHFFFAOYSA-N 371.437 4.604 0 40 FJAB COc1ccc(OC)c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)c1 6090340 JREFQFDBHPVKBI-HKWRFOASSA-N 359.425 4.883 0 40 FJAB O=S(=O)(/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1 7488738 LSTGDLZJZNKFAX-QGOAFFKASA-N 366.467 4.596 0 40 FJAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 7929414 YYSAFXLEWBAHTG-HNNXBMFYSA-N 371.864 4.730 0 40 FJAB CCOc1cc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)cc1Cl 8132494 TTZOQNXFHBJBIH-UHFFFAOYSA-N 374.289 4.810 0 40 FJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)(C)C)C3CCCCC3)cc2c1 9303387 QSXWDVWWUZHFPM-UHFFFAOYSA-N 354.494 4.544 0 40 FJAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 10225067 KWRMJVNWVNHMHU-OAHLLOKOSA-N 365.452 4.514 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3ccco3)on2)cc1 12119720 FKEGSATVXPTMFX-SFHVURJKSA-N 366.417 4.701 0 40 FJAB C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)c1cc2ccccc2o1 12805416 VDILECSLUQBDPN-GFCCVEGCSA-N 363.335 4.708 0 40 FJAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)C2CCC2)C1 13996415 DTJFTHLITCFISK-SFHVURJKSA-N 371.912 4.515 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(Cl)c1Cl 14170189 GAOXKZLAUHNWKT-HNNXBMFYSA-N 367.276 4.543 0 40 FJAB Cc1noc2nc(-c3cccs3)cc(C(=O)OCc3cccc(F)c3)c12 14712744 UREYHKHQPVXENI-UHFFFAOYSA-N 368.389 4.756 0 40 FJAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccccc3C(C)C)c12 14898682 QJCRRDAGLPKQOM-UHFFFAOYSA-N 374.444 4.912 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCc2ccccc21 16471737 UDWBRQOMYQBBIQ-INIZCTEOSA-N 370.811 4.860 0 40 FJAB CC(=O)c1cccc(NC(=O)CCOc2ccccc2-c2ccccc2)c1 24842098 CJZGEQCUYWJDHF-UHFFFAOYSA-N 359.425 4.964 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc[nH]c2=S)cc1 30898611 SOTMEUYHGJJWJX-UHFFFAOYSA-N 352.415 4.797 0 40 FJAB O=C(Nc1cccc2ccccc12)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 31662920 DSRAAJYUVQIRHV-LSDHHAIUSA-N 366.383 4.851 0 40 FJAB CCCCc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2O)c1 33616294 NXJRDLYMRKBYMF-UHFFFAOYSA-N 362.882 4.515 0 40 FJAB COc1ccc(-c2nnc(S[C@@H]3CCCc4ccccc43)n2C)cc1 40114250 YLFATCBAAZAPAC-GOSISDBHSA-N 351.475 4.660 0 40 FJAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccccc2)s1 71326531 MJLDSGIHJRKVST-UHFFFAOYSA-N 351.475 4.688 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)o2)cc1 72260096 HPLUNPCFXRKUGD-UHFFFAOYSA-N 350.374 4.591 0 40 FJAB CCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1OC 85384419 GRTMRUHUCAHHOE-UHFFFAOYSA-N 363.339 4.565 0 40 FJAB O=c1[nH]c(Cc2ccc(O)cc2)nc2cc(-c3cccc(Cl)c3)sc12 89774685 LPCWSKNZYUFCSW-UHFFFAOYSA-N 368.845 4.601 0 40 FJAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 115705321 FRUQTLWBLAFVOJ-KRWDZBQOSA-N 355.478 4.601 0 40 FJAB Cc1c(C(=O)NCC(C)(C)c2cccc(F)c2)n(C)c2ccc(Cl)cc12 141597033 UOAJLRWQVWAKFK-UHFFFAOYSA-N 372.871 4.987 0 40 FJAB COc1ccccc1CCCNC(=O)CC(c1ccccc1)c1ccccc1 219127028 QNPTULABIWWXRV-UHFFFAOYSA-N 373.496 4.966 0 40 FJAB COc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1Cl 222606430 CIOIUXUEYMWCJE-UHFFFAOYSA-N 374.227 4.711 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224151090 WPDUMOPRTVBBJH-CQSZACIVSA-N 361.869 4.846 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(C(C)C)cc2)c1 224173090 UIMZVACCCXGPHH-INIZCTEOSA-N 355.478 4.637 0 40 FJAB Cc1cccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 224315304 AFGAUWAOEPYKCS-UHFFFAOYSA-N 359.469 4.712 0 40 FJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224323438 MLADTKMNBBHHFB-OALUTQOASA-N 365.527 4.883 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 225128416 NXOSZDUYPBZIQJ-UHFFFAOYSA-N 355.459 4.520 0 40 FJAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225179082 JZSHFRUSHPWEHM-UHFFFAOYSA-N 368.502 4.832 0 40 FJAB CCc1ccc(OCC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1 225408162 YVGZLQIXCCUHKM-FQEVSTJZSA-N 367.489 4.827 0 40 FJAB CCCCC[C@@H]1O[C@@H](OC)c2c3c(cc(O)c2[C@H]1OC)C=CC(C)(C)O3 252515167 HSPFKRKQHGQFJG-RYGJVYDSSA-N 362.466 4.888 0 40 FJAB biogenic,in-vitro Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 255931844 KTKIMNHDBWJJNT-UHFFFAOYSA-N 350.802 4.733 0 40 FJAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260774969 OMDLFLVNNSVMJS-TYCQWZJGSA-N 374.513 4.770 0 40 FJAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 260836844 AIDUKOIYYZHCTM-OALUTQOASA-N 364.533 4.972 0 40 FJAB CCOP(=O)(OCC)C(F)(F)C(O)(c1ccccc1)c1ccccc1 306145755 PFZAFGRYGBCQBK-UHFFFAOYSA-N 370.332 4.781 0 40 FJAB CC(C)N(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCCc2cccnc21 585080014 RGOVPAVBNWFALO-LJQANCHMSA-N 361.445 4.665 0 40 FJAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccccc1 585147855 DDWIEEOSINJYOA-HOTGVXAUSA-N 371.527 4.820 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)cc1 1666294816 ZVNDLLSEUYHTQL-UTKZUKDTSA-N 357.519 4.767 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 1082576 VSOKDOQGYVICNI-UHFFFAOYSA-N 372.424 4.702 0 40 FJAB COc1cccc2[nH]c3c(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c12 2415977 QIEYHUJTNVMLIU-ZSEKCTLFSA-N 350.466 4.525 0 40 FJAB C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 2632266 ICPNHXKPIRQVNF-SFHVURJKSA-N 361.441 4.522 0 40 FJAB O=C(CNc1cccc2ccccc12)Nc1ccccc1Br 3399468 AORHKHQJSUPQOT-UHFFFAOYSA-N 355.235 4.653 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cccnc2)cs1 4063923 GYOJJHOLTQZGQS-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB Cc1ccc2c3c(c(SCC(=O)Nc4nccs4)nc2c1)CCCC3 4859073 UZMNFWUWYPNQBK-UHFFFAOYSA-N 369.515 4.609 0 40 FJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 5571306 GZNPFQLLUPEYCO-UHFFFAOYSA-N 358.466 4.693 0 40 FJAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cccc(C)c3)n2)cc1 6341574 ZUMRAJCYKFVOON-CQSZACIVSA-N 368.458 4.533 0 40 FJAB CCOc1ccc(-c2nc(CN(C)Cc3ccc(F)cc3)cs2)cc1 6579055 PMEVWLJKFLTLFO-UHFFFAOYSA-N 356.466 4.980 0 40 FJAB CCOc1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c1 6747536 PNWYPGUOPYXFJZ-UHFFFAOYSA-N 353.393 4.660 0 40 FJAB CCc1ccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1 7343602 QQQLRXYCHKOTTN-NRFANRHFSA-N 350.462 4.919 0 40 FJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 7929077 POQVWNBLGLNPKR-QGZVFWFLSA-N 365.473 4.641 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCc2sccc2[C@@H]1c1cccs1 7947656 AHSMSHBWNXVANT-QGZVFWFLSA-N 361.438 4.876 0 40 FJAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(-c2ccc(F)cc2)o1 10109314 GFMDAUWSXAWOJY-UHFFFAOYSA-N 359.740 4.720 0 40 FJAB O=C(Nc1ccc2ncsc2c1)c1ccc(C(=O)c2ccccc2)cc1 10217169 CHKMPMWMWQMDCH-UHFFFAOYSA-N 358.422 4.780 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1 10427994 KPSSWODMSADVGN-UHFFFAOYSA-N 366.424 4.688 0 40 FJAB Cc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2c1 11684171 JOIBJBLDKKRRDB-UHFFFAOYSA-N 363.442 4.831 0 40 FJAB Fc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccnc3)no2)cc1 12143940 BFRNSHOFAWFGSK-FQEVSTJZSA-N 351.425 4.993 0 40 FJAB O=C(Nc1ccccc1)c1ccc(SCc2cn3ccccc3n2)cc1 12520188 YPWZVROYNYIWMM-UHFFFAOYSA-N 359.454 4.879 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1cccc(OCc2cscn2)c1 12740513 GOKIIMMYMAUHQZ-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB COc1cc2c(cc1NC(=O)[C@@H]1Cc3ccccc3O1)oc1ccccc12 13002756 BTBHLFXATGTBHN-NRFANRHFSA-N 359.381 4.537 0 40 FJAB COc1ccc2cc(C(=O)N(C)Cc3c(F)cccc3Cl)c(C)nc2c1 14202209 UZZDGMHANHNUML-UHFFFAOYSA-N 372.827 4.617 0 40 FJAB Cc1ccc(SCC(=O)Nc2ccc(Br)cc2F)cc1 15186948 OLMPRCFLNADVHR-UHFFFAOYSA-N 354.244 4.627 0 40 FJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C)cc2)cc1OCC 16317272 YEZPJAKFJIOAIV-HNNXBMFYSA-N 358.507 4.840 0 40 FJAB NC(=O)c1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1 17138163 CCHILACMPSUXPL-UHFFFAOYSA-N 374.831 4.793 0 40 FJAB CCOc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1 18145461 NKNLPYYZVLKURF-UHFFFAOYSA-N 366.939 4.817 0 40 FJAB Cc1csc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@H](C)O3)n1 19240237 CYHJYUDJHSLAKL-KSSFIOAISA-N 370.543 4.910 0 40 FJAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 21141835 DYSUSYQXBFIMQI-UHFFFAOYSA-N 357.413 4.799 0 40 FJAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NCCC1=CCCCC1 21637090 SGPGDYXJVBZAMI-LBPRGKRZSA-N 358.429 4.588 0 40 FJAB COc1cccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)c1 22072120 GEVIPWACQABQCT-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB O=C(NCc1ccccc1CN1CCCC1)c1cc(Cl)cc(Cl)c1 24189753 GZWVHWKSMBBQJG-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 25214205 DKHVHFXVHNXSOV-LLVKDONJSA-N 372.774 4.986 0 40 FJAB COc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCCc4ccccc43)cc2c1 25804835 DCWAKJVQKJJGEM-QFIPXVFZSA-N 360.457 4.701 0 40 FJAB CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Cl)cc1Cl 27287200 UPHBAHPVJHJWGI-UHFFFAOYSA-N 363.288 4.518 0 40 FJAB COc1ccc(C(=O)N(Cc2cccs2)c2cccc(OC)c2)cc1 27664306 QFVJUVSWNZXPGR-UHFFFAOYSA-N 353.443 4.612 0 40 FJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1cc(Br)cn1 28224165 WMYJBXOITZXZTD-ZDUSSCGKSA-N 370.250 4.512 0 40 FJAB Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 28288658 PLGBTNHRFYTJIK-JOCHJYFZSA-N 364.533 4.859 0 40 FJAB CCOCc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 28348480 GQMAPQFNERZGIO-HNNXBMFYSA-N 360.885 4.779 0 40 FJAB CC(C)n1ncc2c(C(=O)Nc3cc(Cl)ccc3F)cc(C3CC3)nc21 32674629 DPMMLRKVZJPPQX-UHFFFAOYSA-N 372.831 4.934 0 40 FJAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 32883704 FCVMTURORSSXGX-KSFYIVLOSA-N 364.489 4.890 0 40 FJAB Nc1c(Cl)cc(NC(=O)Cc2ccccc2)c(Cl)c1Br 45891617 WINUTGTYTZVAKK-UHFFFAOYSA-N 374.065 4.519 0 40 FJAB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc2ncccc2c1 49543884 GZCIGHDILPEOPO-KRWDZBQOSA-N 352.463 4.611 0 40 FJAB Cc1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c(C)n1Cc1ccco1 65883144 FSOQNHLZTPJZDH-FQEVSTJZSA-N 368.864 4.817 0 40 FJAB OCc1ccc(-c2cccc([C@@H]3CCCN(C4CCCCC4)C3)n2)cc1 72348537 SDKVGFRRCZJEQO-HXUWFJFHSA-N 350.506 4.753 0 40 FJAB CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344255 ZDMGDOXRFHUUNG-QWHCGFSZSA-N 370.305 4.786 0 40 FJAB CCCc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)cc1 102308080 NKEVONKMIIRLDD-BUQAOYBGSA-N 369.505 4.510 0 40 FJAB Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](c1ncccc1C)C(C)C)CCC2 115841446 DYCGJDBGFPLMLX-IAGOWNOFSA-N 372.538 4.571 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC 216454887 WAONJZCPXVFRQJ-CQSZACIVSA-N 367.470 4.976 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 224108952 HDOPEEQHTFCNEX-LJQANCHMSA-N 369.505 4.698 0 40 FJAB Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCC(C)CC1 226330280 YSCDCZVLUPZEDF-UHFFFAOYSA-N 357.885 4.719 0 40 FJAB Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408593517 AIRBJNWTWNRGDD-UHFFFAOYSA-N 353.274 4.737 0 40 FJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)c(Cl)cc1OC 409013657 CIHYDCXRAGAYNJ-CYANDVJASA-N 369.870 4.582 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccc(F)cc1 409196076 NBCDHNVUOXHFFK-QOCHGBHMSA-N 374.868 4.850 0 40 FJAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccccc1 575610104 KEWSGIGLPXGOHZ-LEWJYISDSA-N 365.498 4.759 0 40 FJAB CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ocnc1C(F)F 626879561 MJXTUQFEJQOBTK-UHFFFAOYSA-N 354.784 4.874 0 40 FJAB Cc1ccc(C)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888909590 FNDJWQABMDNXLN-UHFFFAOYSA-N 354.479 4.558 0 40 FJAB Brc1ccc2c(c1)CN(c1ccccc1Br)CO2 1300091 JPAPVDARHDFWJB-UHFFFAOYSA-N 369.056 4.568 0 40 FJAB COc1ccc(CNCC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1OC 2106271 YNIYTXHJCHUJKZ-OALUTQOASA-N 363.542 4.661 0 40 FJAB biogenic CCCc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1CCC2 2377360 PQEAFGIWNQMBOF-UHFFFAOYSA-N 352.507 4.671 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccccc1N1CCCCC1 2405888 ZLICFKHKKZAYGN-UHFFFAOYSA-N 360.457 4.848 0 40 FJAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc(F)cc3)s2)c1 3313378 FCJVFOOQHXMEME-UHFFFAOYSA-N 359.451 4.704 0 40 FJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ncnc2ccccc12 3313844 IRCORIWVRRSOJN-VKJFTORMSA-N 358.507 4.726 0 40 FJAB CCc1ccc(CN(C)CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 3346810 RBBSHWIKOMQAAA-UHFFFAOYSA-N 365.304 4.935 0 40 FJAB Cc1cccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)c1 4685326 JVRWZXQWGOXMQW-JKSUJKDBSA-N 374.275 4.622 0 40 FJAB COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)cc1 4699950 VZMIFEAXKOQEQY-HSZRJFAPSA-N 370.452 4.995 0 40 FJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 4741909 OTKXRVYTATYFPF-FQEVSTJZSA-N 361.445 4.622 0 40 FJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 4966285 UCULWJOGCNNOQC-UVTDQMKNSA-N 359.381 4.539 0 40 FJAB CC(C)(C)c1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1 5621756 IBNLPVSEXGQERB-UHFFFAOYSA-N 351.475 4.540 0 40 FJAB CN(Cc1ccccc1)c1nc2ccccc2n1CC(=O)c1ccccc1 6314147 FASTZPXXAMIKQY-UHFFFAOYSA-N 355.441 4.556 0 40 FJAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2)N1c1ccccc1 6691049 KUMAQABVUFGWPC-JOCHJYFZSA-N 369.399 4.966 0 40 FJAB COCCCNCC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 6758247 CSNJQYPQMKIACA-HKUYNNGSSA-N 367.961 4.720 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7072430 VQCXKPIPPDQIKL-BEFAXECRSA-N 364.489 4.809 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3Br)cc2)n1 8491436 ZRTWZUOZZMMOFG-UHFFFAOYSA-N 370.250 4.504 0 40 FJAB COCc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 8707132 UOQDIIFGRVVNEJ-UHFFFAOYSA-N 368.458 4.526 0 40 FJAB C[C@@H](O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 8714213 RBQIZYFKIYXCMT-GFCCVEGCSA-N 368.260 4.844 0 40 FJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc2[nH]cnc2c1 8719902 QNAHNEIGNNCNPZ-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 9246521 RQPJXBLSBSVDES-UHFFFAOYSA-N 361.832 4.990 0 40 FJAB Cn1nc(C(C)(C)C)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 10186235 MABBCHQETXDCPI-UHFFFAOYSA-N 356.417 4.545 0 40 FJAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)c3cnccn3)sc2c1 10213658 ROGNMCVKNORHDY-UHFFFAOYSA-N 374.469 4.550 0 40 FJAB CC(C)(C)c1cc(CCC(=O)Nc2ccncc2)cc(C(C)(C)C)c1O 12522700 LEEIXMRIIBARJH-UHFFFAOYSA-N 354.494 4.954 0 40 FJAB COc1cc(CN[C@@H](C)c2cccnc2)ccc1OCc1ccc(F)cc1 12543699 MLNUKKUIIRLGGH-INIZCTEOSA-N 366.436 4.659 0 40 FJAB CCOc1ccc2nc(SCc3nc4ccccc4n3C(F)F)[nH]c2c1 12629284 QAWYDGNYBGOLNC-UHFFFAOYSA-N 374.416 4.999 0 40 FJAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 12735660 KIXJQIOAEPIDKM-UHFFFAOYSA-N 363.461 4.994 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 13674337 RSXHNFXXNQILLM-HNNXBMFYSA-N 357.475 4.599 0 40 FJAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1 13785479 MTTNSHITJXEXIJ-ZBKJMMEJSA-N 354.450 4.767 0 40 FJAB CCCOc1ccc(C(=O)CCC(=O)Nc2cccc3cccnc23)cc1 14138952 AHQGEERXUMWZLV-UHFFFAOYSA-N 362.429 4.625 0 40 FJAB Cc1nc(SCc2csc(-c3ccccc3)n2)c(C(N)=O)c(C)c1C 14200719 KCUXRVKGBPLLLH-UHFFFAOYSA-N 369.515 4.522 0 40 FJAB Cc1c(Cl)cccc1NC(=S)NCCc1c[nH]c2ccc(F)cc12 17074485 UWVWPWSJOJDYGS-UHFFFAOYSA-N 361.873 4.798 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)C(c2ccccc2)c2ccccc2)c1 22480074 MVPNHFIYJDAYGQ-UHFFFAOYSA-N 359.469 4.631 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccc(C)cc1 22509367 NKDNBDUPTAGTKD-GOSISDBHSA-N 363.910 4.714 0 40 FJAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@H](C)c3ccccc3F)c(C)c12 22990597 RNIURHSIKUYLLV-LLVKDONJSA-N 369.465 4.816 0 40 FJAB COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1C1CC1 25356498 PLYLFKSMHAMINO-UHFFFAOYSA-N 354.431 4.557 0 40 FJAB O=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccc(F)cc1Cl 28260366 XWDFQLHMYHNMGP-UHFFFAOYSA-N 369.845 4.601 0 40 FJAB C[C@@H](NCc1csc(Br)c1)c1ccc(-n2ccnc2)cc1 30544931 UFAJMTAAIKFVBG-GFCCVEGCSA-N 362.296 4.547 0 40 FJAB Cc1ccsc1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 31077504 VWPXRJSMMOUBSD-UHFFFAOYSA-N 364.514 4.715 0 40 FJAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(F)cc2F)o1 31712825 YZSLSLNUFGDIFO-UHFFFAOYSA-N 369.327 4.557 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cccc3c4c([nH]c23)CC[C@H](C)C4)cc1 32632846 DRTLJJHWAPRZHJ-ZDUSSCGKSA-N 361.445 4.503 0 40 FJAB CCSc1nnc(SCc2ccc(OCC(F)(F)F)cc2)s1 40146108 JFPZZNRFODIUKX-UHFFFAOYSA-N 366.455 4.884 0 40 FJAB COc1cc2c(cc1NC(=O)[C@@H](C)NCc1ccccc1)oc1ccccc12 59925008 KGCACXSWZYRARR-OAHLLOKOSA-N 374.440 4.711 0 40 FJAB O=C(Nc1nc(-c2ccccc2)ns1)NC1(c2ccc(F)cc2)CCC1 65828021 KLTNXHIQBJYKOG-UHFFFAOYSA-N 368.437 4.545 0 40 FJAB CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC1CCOCC1 67890030 RJNLQZVIVKUGSY-UTKZUKDTSA-N 360.542 4.523 0 40 FJAB biogenic,in-vitro C[C@@H]1CCCCN1C(=O)c1cc(Cl)c2cccc(Br)c2n1 72294365 ZKDHUWUVXMWTTC-SNVBAGLBSA-N 367.674 4.665 0 40 FJAB Cn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72350006 UGEBJZDCYIRNSA-KRWDZBQOSA-N 366.896 4.515 0 40 FJAB Cc1ccc(CN2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1C 72376436 GMRXBCYYNSDXSO-NRFANRHFSA-N 373.504 4.878 0 40 FJAB CC(C)(CNc1cc(C(F)(F)F)nc2ccccc12)N1CCCCC1 89761807 HRDUJGLVXKESSL-UHFFFAOYSA-N 351.416 4.930 0 40 FJAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)OC(C)=O 104393122 IVVBEYNQFBGHBA-GNJRFXKQSA-N 370.489 4.790 0 40 FJAB CCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 205593624 WXWVCKPMYKFRGT-QNGOZBTKSA-N 374.440 4.560 0 40 FJAB CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 216898782 UXQJVOIQHRPAGE-WEVVVXLNSA-N 364.800 4.643 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219313961 HTIUVXHQPBAHDV-OALUTQOASA-N 367.489 4.879 0 40 FJAB O=C(CCc1ccccc1Cl)NCCSCc1ccc(Cl)cc1 220011604 HWWNCMZNQKRILB-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)n1cc(C(=O)OC)c2ccccc21 222620253 MWMYPEYVUFHFIM-KRWDZBQOSA-N 371.820 4.579 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 222967899 JZTJSFVQSZIHFN-RTBURBONSA-N 367.489 4.879 0 40 FJAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(C)c1 225755369 TZAXRQJNZKHBDX-HXUWFJFHSA-N 367.489 4.529 0 40 FJAB C[C@H](Cc1cccc(Br)c1)NCc1cccc2cccnc12 620123712 LSJAGCOHXZEECC-CQSZACIVSA-N 355.279 4.718 0 40 FJAB COc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)c(OC)c3)cc2)cc1C 797346 MMGSSDSHZMYJSY-UHFFFAOYSA-N 374.436 4.783 0 40 FJAB O=C(COc1cccc2ccccc12)Nc1ccc(Br)cc1 805334 SHNXBKMYRCRCHQ-UHFFFAOYSA-N 356.219 4.620 0 40 FJAB CCN(C(=O)c1ccccc1C)c1nc(-c2ccc(OC)cc2)cs1 929077 SIEHDDFMBGYDHM-UHFFFAOYSA-N 352.459 4.794 0 40 FJAB Nc1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1 944693 HBBDWMUOIIRTTI-UHFFFAOYSA-N 363.364 4.663 0 40 FJAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 1065518 DKVZQCWXNJIOCS-OAQYLSRUSA-N 372.424 4.634 0 40 FJAB CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 1223998 YVOAKRJWEUKOHH-UHFFFAOYSA-N 358.850 4.605 0 40 FJAB CSc1ccc(Cl)c(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 2653832 UTTUPSBAJATXPP-UHFFFAOYSA-N 374.937 4.641 0 40 FJAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3CC(C)C)c1 4856980 ZGIWEUNNIIBBHF-IHWFROFDSA-N 359.583 4.631 0 40 FJAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1Br 6078352 TVPNWYLVYBIGHO-UHFFFAOYSA-N 360.585 4.941 0 40 FJAB Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c1C 6654480 USSMZJLQVYLJAS-UHFFFAOYSA-N 369.515 4.528 0 40 FJAB C[C@@H]1Cc2ccccc2N1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7503451 PCGHCMRUCHSQED-CQSZACIVSA-N 373.481 4.603 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Br)cc1F 8220347 UVOLAOLEVVQUFV-JTQLQIEISA-N 354.244 4.708 0 40 FJAB Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c1 9063016 YPCAEOOHWBDYQE-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Clc1cccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1 9420943 STNUKLSBMCRICX-UHFFFAOYSA-N 351.822 4.655 0 40 FJAB CC[C@@H](Oc1ccccc1)c1nn2c(-c3cccc(F)c3)nnc2s1 10311621 HYZVCGCKAQIXNR-OAHLLOKOSA-N 354.410 4.522 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Cn2cncn2)cc1 10816212 COZGGBCUMKGUGW-UHFFFAOYSA-N 362.477 4.826 0 40 FJAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CC[C@@H]2CCCC[C@H]2C1 12516246 RUCKHNLLOYUNHN-HKUYNNGSSA-N 371.484 4.949 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12563991 WRYMCTCQWRGFPR-CYBMUJFWSA-N 367.474 4.566 0 40 FJAB Cc1ccc(-n2c(C)nn(CN3CCC[C@@H]3c3ccccc3)c2=S)cc1 12564595 HZLYXXQOVLYNBM-HXUWFJFHSA-N 364.518 4.815 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 12780585 NUXCWZPARSHXES-ZDUSSCGKSA-N 373.909 4.717 0 40 FJAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(F)c1 12798870 ADEQVUSRBMWHFF-UHFFFAOYSA-N 354.406 4.700 0 40 FJAB Cc1c(C(=O)OCC(=O)c2ccc(F)c(F)c2)oc2ccc(Cl)cc12 14186304 BICCCMFJCMSQKC-UHFFFAOYSA-N 364.731 4.713 0 40 FJAB Cc1cc(C)cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 16269172 RMEKTRZAFMGUSV-UHFFFAOYSA-N 369.852 4.968 0 40 FJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)c(C)c1 18119926 ONNJBFXJAGFIQB-MRXNPFEDSA-N 361.420 4.889 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1oc3ccc(F)cc3c1C)O[C@@H](C)C2 18238544 KZSLVYJSIZFLNH-NSHDSACASA-N 369.392 4.855 0 40 FJAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccccc2-n2cccn2)nc1 19215585 ZYUOIGFZJSZKKK-NRFANRHFSA-N 374.513 4.711 0 40 FJAB Fc1ccc(CN2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cc1F 19344778 RBJYZYMQUGBGCK-OAHLLOKOSA-N 361.417 4.804 0 40 FJAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 21273110 CCHDVGUKXFTYHJ-UHFFFAOYSA-N 358.482 4.688 0 40 FJAB COc1ccc(OCCN(C)C(=O)c2sccc2-c2ccccc2)cc1 23647497 LOJDRJYNDVBMAI-UHFFFAOYSA-N 367.470 4.575 0 40 FJAB C[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 23723432 XWUDSHKMENVOLK-COXVUDFISA-N 352.865 4.725 0 40 FJAB Clc1ccc(CO[C@H](CN2CCOCC2)c2ccccc2)c(Cl)c1 31912451 SOVGXSDOPRUICL-LJQANCHMSA-N 366.288 4.584 0 40 FJAB O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412061 GOHXSWCMIKZCQP-UHFFFAOYSA-N 351.837 4.861 0 40 FJAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(Cl)cc1F 58297184 TVNCWGZTZUDEFB-UHFFFAOYSA-N 355.800 4.795 0 40 FJAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(OC(F)F)c2ncccc12 65858769 AVRWBCZUQBZPDG-UHFFFAOYSA-N 368.383 4.506 0 40 FJAB Cc1cccc(C(=O)N2CCCCCCC2)c1NC(=O)c1ccccc1F 80207428 JPCDJRGVAWZXNQ-UHFFFAOYSA-N 368.452 4.793 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 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S=C(NCc1ccccc1)Nc1ccc(N2CCCc3ccccc32)nc1 223923557 NAIXZJRLPKAPHV-UHFFFAOYSA-N 374.513 4.653 0 40 FJAB C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 224059287 NIIBTVIWZRJNQE-LBPRGKRZSA-N 360.244 4.670 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSC1CCCCC1 224264967 SRSPHWQWXDPVFL-INIZCTEOSA-N 361.551 4.515 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)s1 224420119 YUYQFQZICXFDLM-ROUUACIJSA-N 369.490 4.768 0 40 FJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)COc1cc(C)ccc1C(C)C 224780837 QCPIOMTWWDPBPK-NRFANRHFSA-N 367.489 4.700 0 40 FJAB Cc1cccc(NC(=S)NCCSCc2ccccc2)c1Cl 225219076 XGUKZAFMZXAJCS-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225344933 FWLFBGDJZHMQJR-UHFFFAOYSA-N 366.244 4.741 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(C)cc1 225486783 VAHQBEJJWKEHMI-QGZVFWFLSA-N 365.502 4.990 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)cc1)CC(C)(C)O2 225680713 QYKVKOGQGRNVRT-QGZVFWFLSA-N 356.491 4.592 0 40 FJAB CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1 225814244 BOTHVPVBMRDXQW-GOSISDBHSA-N 365.395 4.969 0 40 FJAB CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1 225814257 BOTHVPVBMRDXQW-SFHVURJKSA-N 365.395 4.969 0 40 FJAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc2c(Cl)cccc12 226366068 QBNYVXRHHPKJSU-UHFFFAOYSA-N 362.816 4.544 0 40 FJAB CC(C)(C)c1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408709205 PNKNFNNOSPMAIX-UHFFFAOYSA-N 358.526 4.644 0 40 FJAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccccc1C(F)(F)F 575610950 RLRYEEYFPGORTN-UHFFFAOYSA-N 351.349 4.957 0 40 FJAB Brc1cccc(CCCNCc2cccc3cccnc23)c1 595625895 GLBSHKDVUPTBOR-UHFFFAOYSA-N 355.279 4.720 0 40 FJAB CCOP(=O)(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)OCC 1776004660 WWLCFJSNDHESGI-UHFFFAOYSA-N 365.153 4.810 0 40 FJAB Cc1cccc(NC(=O)c2cc(Br)ccc2Br)c1 682407 JZLWUZZYTOQODC-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 823871 ORDQSLVJBSKNSA-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB CCc1ccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)cc1 1327029 CLBMZHUKCYCEGL-UHFFFAOYSA-N 365.502 4.967 0 40 FJAB Cc1ccc(SCC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 1400645 IDBQBKMMSLGMNQ-UHFFFAOYSA-N 357.475 4.647 0 40 FJAB CCOC(=O)c1cc(-c2cccs2)nc2ccc(Br)cc12 2145877 QOQSCBHGNYZCKB-UHFFFAOYSA-N 362.248 4.903 0 40 FJAB Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)c1 2947452 YWKDQMNUTVMMPX-QGZVFWFLSA-N 362.292 4.845 0 40 FJAB CCCCn1c(SCC(=O)c2ccc(C)c(C)c2)nnc1-c1ccco1 4882044 NNVKUHDYXXBJCS-UHFFFAOYSA-N 369.490 4.930 0 40 FJAB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 6601216 SLEOIJGJXPYUCO-JTQLQIEISA-N 353.647 4.542 0 40 FJAB COCc1c(C(=O)Nc2ccc(C)cc2Br)oc2ccccc12 7265312 AHXDFSHQDLIHMZ-UHFFFAOYSA-N 374.234 4.902 0 40 FJAB CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OC 7978652 YYMDSMZUQCYBSA-UHFFFAOYSA-N 360.413 4.525 0 40 FJAB CCCOc1ccc(NC(=O)Cc2noc3ccccc23)cc1OCCC 8247906 YWYDQEHOYCWPIG-UHFFFAOYSA-N 368.433 4.587 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1Cl 8480683 RGWGFLUGTYFFGJ-KRWDZBQOSA-N 352.261 4.776 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C)cc(-c2ccccc2)n1 8654834 ZPJPKHKRSFZNIP-OAHLLOKOSA-N 363.486 4.880 0 40 FJAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 8757032 LZDBCVVKESYZAA-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc[nH]4)c23)cc1 9583799 HDMLZVMSRQWUOB-UHFFFAOYSA-N 365.483 4.970 0 40 FJAB O=C(NCCCn1cnc2ccccc21)c1ccccc1Oc1ccccc1 10037702 YSLFOJNOCWQYCB-UHFFFAOYSA-N 371.440 4.649 0 40 FJAB Cc1ccc(-c2csc(NC(=O)CCc3nc4ccccc4[nH]3)n2)s1 10894868 AZNSWFPAZOJVLM-UHFFFAOYSA-N 368.487 4.628 0 40 FJAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC(CCc2ccccc2)CC1 11720562 SORXNPAFAOYAEW-MRXNPFEDSA-N 372.459 4.637 0 40 FJAB CCCCNC(=O)OC[C@]12CO[C@H](CCCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12652896 WJHCKHVBUITAAF-HMPZBHLVSA-N 351.531 4.936 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1oc3ccc(F)cc3c1C)O[C@H](C)C2 18238543 KZSLVYJSIZFLNH-LLVKDONJSA-N 369.392 4.855 0 40 FJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 20452666 SZUGUSQLYRQGGS-NSHDSACASA-N 368.658 4.817 0 40 FJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc2ccc(F)cc2s1 20936114 LBHOHHGYGYAWCQ-INIZCTEOSA-N 372.465 4.590 0 40 FJAB COc1ccc(OC)c(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 22250984 JTXBGXKJBNLVOR-UHFFFAOYSA-N 374.651 4.845 0 40 FJAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 23975580 GPHXVGLTCBALCA-GFCCVEGCSA-N 352.261 4.812 0 40 FJAB COc1cccc2sc(NC(=O)Cc3cccc(C(F)(F)F)c3)nc12 24552255 WYSLTDYBCYONEM-UHFFFAOYSA-N 366.364 4.505 0 40 FJAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 30116073 RMCCFRGSRBSINA-SECBINFHSA-N 371.742 4.579 0 40 FJAB Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCSc4ccccc43)cs2)o1 32339713 IQIHQPKKPIFJEA-OAHLLOKOSA-N 370.499 4.607 0 40 FJAB C[C@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1(Cl)Cl 36791070 MIEJSVKEIFWVJI-ZWNOBZJWSA-N 350.698 4.577 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)cc1OC 44842468 WMGUTQCVRFRLBR-LJQANCHMSA-N 365.429 4.653 0 40 FJAB O=C(OCCCc1ccncc1)c1csc(-c2cccc(Cl)c2)n1 61046655 SNWZDOLMKJDAAR-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB Cc1ncsc1COC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 68557144 VUDWUNSITLWDDX-FNORWQNLSA-N 370.405 4.535 0 40 FJAB O=C(Nc1ccccc1)c1cccc(COc2cccc3c2CCC3=O)c1 84553280 WRJUSZPFQDSUOJ-UHFFFAOYSA-N 357.409 4.647 0 40 FJAB Cc1ccc(Cc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1C 96193838 SPCXSNLIFJAHHG-UHFFFAOYSA-N 360.442 4.807 0 40 FJAB Cc1nc2ccc(NC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2nc1C 100295458 FFWJEVKOXXFKMM-IERDGZPVSA-N 352.482 4.679 0 40 FJAB COc1cc2c(cc1OC)C(C13C[C@@H]4C[C@H](CC(Cl)(C4)C1)C3)=NCC2 100682431 JZAAMTICFFUNDT-SUXCYGLUSA-N 359.897 4.627 0 40 FJAB Cc1cc(C)cc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 223529178 MYLGJMMYZWLMAL-STZFKDTASA-N 374.440 4.614 0 40 FJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 224534356 JBWXHLBCPRQVTO-KRWDZBQOSA-N 364.961 4.885 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882400 JSUPPCZXZOISDO-HNNXBMFYSA-N 357.303 4.520 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224893583 GRDCBDVTBNHLOS-MRXNPFEDSA-N 367.367 4.998 0 40 FJAB C[C@@H](NC(=S)Nc1nccc(-c2cccs2)n1)c1ccc(Cl)cc1 225186443 FSWVQVRAMZIIIE-LLVKDONJSA-N 374.922 4.906 0 40 FJAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)s1 225442437 CVCKGMWEODZDRX-GFCCVEGCSA-N 373.503 4.599 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1OC 225472329 DLWFUIOFBPYSFR-KKSFZXQISA-N 363.457 4.883 0 40 FJAB CCOc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccccc21 225575790 YNQOHDRVIZVSFH-MRXNPFEDSA-N 356.491 4.674 0 40 FJAB O=C(O)/C=C/c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 226322502 AGECVCWRJLJSIA-CMDGGOBGSA-N 357.818 4.905 0 40 FJAB COc1cccc(CNC(=S)c2cccc(OCc3ccccc3)c2)c1 408571451 BOIPGAAAKPGVDX-UHFFFAOYSA-N 363.482 4.740 0 40 FJAB Cc1cc(C)n([C@H](CNC(=O)Nc2ccccc2Cl)c2ccsc2)n1 888107226 IDCKXVWFSTWUKH-QGZVFWFLSA-N 374.897 4.626 0 40 FJAB CC1(C)CC(=O)c2cnc(SCc3nc(C(C)(C)C)cs3)nc2C1 1644070935 TUUSFJDZBSVRSE-UHFFFAOYSA-N 361.536 4.678 0 40 FJAB O=C(NCc1cc(-c2ccoc2)cs1)c1ccc(OC(F)(F)F)cc1 1775969942 SSNGZQOYTFPATD-UHFFFAOYSA-N 367.348 4.837 0 40 FJAB CC(=O)c1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c1 639594 WVWXYSKLKDXZJF-YUCXICBCSA-N 366.288 4.684 0 40 FJAB COc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682422 JQYLZCSZVNNSPB-MRXNPFEDSA-N 359.425 4.668 0 40 FJAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCO2 809533 KVUZNXBAHZXERW-UHFFFAOYSA-N 374.421 4.944 0 40 FJAB aggregator CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1 1941423 JNHBWNMMQXDUNJ-UHFFFAOYSA-N 373.424 4.580 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)NCCc1c[nH]c2ccccc12 3403554 GKYJLVQDNHRFLA-UHFFFAOYSA-N 370.452 4.573 0 40 FJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 3849866 JVXLQGKEDVFQKL-PQQZDNAISA-N 374.521 4.624 0 40 FJAB CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 4524815 NEYPTZLZXOPDNO-MOPGFXCFSA-N 367.832 4.978 0 40 FJAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 5164986 ZWRHJHMRFMXNLP-GHTZIAJQSA-N 362.454 4.999 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 5166628 QXKRUGDXPWHXHL-MHYDGWTMSA-N 374.521 4.813 0 40 FJAB biogenic CCc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 5319974 WNBGWGLZVYZQPN-UHFFFAOYSA-N 374.465 4.570 0 40 FJAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 5390642 SKBQYAVNXXMWTA-MHWRWJLKSA-N 358.850 4.754 0 40 FJAB CCOc1cc(C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCC 5475081 ODAPYRIBMNGLPJ-UHFFFAOYSA-N 363.841 4.788 0 40 FJAB CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 5574306 PIMHGFWZGLUTRH-UHFFFAOYSA-N 355.825 4.585 0 40 FJAB Cc1ccc(C2=NN[C@](CC(=O)c3ccccc3)(C(F)(F)F)S2)cc1 5745677 MRRGIPRQIMEUOM-KRWDZBQOSA-N 364.392 4.525 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2ccccc2n1 6788610 GGRZAUAZSYZSNL-UHFFFAOYSA-N 372.877 4.936 0 40 FJAB CCCc1ccc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1 6931518 PERWYUBYHAKACS-OUKQBFOZSA-N 365.454 4.688 0 40 FJAB COc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 7278932 NAHKWYPNQSPFHS-UHFFFAOYSA-N 357.410 4.660 0 40 FJAB COc1ccccc1NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 7758068 AZQASNZMQZLOOI-FOCLMDBBSA-N 372.424 4.599 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(C)C 8493842 PLDJNYVNMPACCW-UHFFFAOYSA-N 353.871 4.581 0 40 FJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)CCC3CCCC3)ccc21 9164669 XYHNPFGGDJBJNA-UHFFFAOYSA-N 356.510 4.921 0 40 FJAB Clc1ccc(-c2noc(CCCCc3nc4ccccc4[nH]3)n2)cc1 9420899 RBUYKTVLWAJMJW-UHFFFAOYSA-N 352.825 4.832 0 40 FJAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1Cl 11084778 AJCGULKADGFMIS-UHFFFAOYSA-N 356.224 4.722 0 40 FJAB c1ccc2c(CSc3nnc(NC[C@@H]4CCCO4)s3)cccc2c1 12578403 YXILOLQRVPXPMC-HNNXBMFYSA-N 357.504 4.575 0 40 FJAB CC(=O)c1ccc(-c2ccc(C(=O)NCC3(c4ccccc4)CC3)o2)cc1 12931513 ZFYRMESXXNXJFR-UHFFFAOYSA-N 359.425 4.611 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccc2cccnc12 14136410 KYPKUIWUJFGAQD-UHFFFAOYSA-N 351.456 4.601 0 40 FJAB COc1cc(C(C)=O)ccc1OC(=O)c1ccc(SC(F)(F)F)cc1 14163751 CICRQDAECHBMAI-UHFFFAOYSA-N 370.348 4.729 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccc(C)cc1 20457877 NUNRYPGWJFABOU-UHFFFAOYSA-N 365.498 4.820 0 40 FJAB CCc1cccc2c(C(=O)[C@H](SCC(=O)OC)c3ccccc3)c[nH]c12 21178720 WULCYSFMILMFOD-OAQYLSRUSA-N 367.470 4.561 0 40 FJAB O=C(Nc1ccccc1Br)c1cccnc1NC1CCCCC1 22072694 GIRSYIVRAUQQSW-UHFFFAOYSA-N 374.282 4.841 0 40 FJAB CCc1ccc(C(=O)[C@H](C)OC(=O)CCc2ccc3ccccc3n2)cc1 24194140 PGCHATSYVZUYPP-INIZCTEOSA-N 361.441 4.544 0 40 FJAB CC1(C)C[C@@H]([C@@H](CNC(=O)c2cccs2)Cc2ccccc2)CCO1 27666517 BWHRYUKPKFVICQ-ZWKOTPCHSA-N 357.519 4.542 0 40 FJAB Cc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n1 28194584 NLSGUPGDUXIYMB-UHFFFAOYSA-N 368.440 4.554 0 40 FJAB CCN(Cc1nonc1C)C(=O)c1sc2cc(Cl)ccc2c1Cl 28233126 ITHIHJUJLXOVPZ-UHFFFAOYSA-N 370.261 4.562 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cc(C)cc(C)c2C)cc1 30871901 OJVROTVEKJQJNA-NRFANRHFSA-N 369.505 4.903 0 40 FJAB COc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1F 32745002 YAIIBLJKLHARAS-LBPRGKRZSA-N 365.832 4.523 0 40 FJAB Cc1nn(C)c(=O)c(-c2nc(-c3sc4ccccc4c3C)cs2)c1C 32808887 PNUNWZGILGEVMF-UHFFFAOYSA-N 367.499 4.711 0 40 FJAB COc1ccc(Nc2ccccc2NC(=O)c2c(F)cccc2F)cc1 32981912 QAXZQFDOKHSYIF-UHFFFAOYSA-N 354.356 4.969 0 40 FJAB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccs1 35647104 BUCHNRPWTFYHLC-GHXNOFRVSA-N 355.271 4.947 0 40 FJAB O=C(Nc1cccc(F)c1)C1CCN(Cc2cccc3ccccc23)CC1 38851054 OVTQLZCFGUDKEQ-UHFFFAOYSA-N 362.448 4.830 0 40 FJAB CC1CCN(Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)CC1 38852884 ZRKRLKZCNLXWSL-UHFFFAOYSA-N 374.594 4.714 0 40 FJAB C[C@@H](NC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1 40135600 PNXWFHLFBKUQDZ-IERDGZPVSA-N 363.436 4.713 0 40 FJAB O=C(CCc1ccco1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 40159459 LWYSJIBWSSXDQQ-SFHVURJKSA-N 364.470 4.703 0 40 FJAB CCOc1ccc(CCC(=O)N[C@@H](CC)c2ccccc2)cc1OCC 44948029 WOWRDZKEPHGTHL-IBGZPJMESA-N 355.478 4.684 0 40 FJAB Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)c2cccs2)cc1F 57508772 ZKHQUIFVUKEQPE-QRWLVFNGSA-N 368.477 4.902 0 40 FJAB Cc1nc(NC[C@H](c2cccs2)N(C)C)c2c3c(sc2n1)CCCC3 58164892 CCRYGIIIDPKWFM-CQSZACIVSA-N 372.563 4.655 0 40 FJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl)N1CCOCC1 59038643 ZNBGRZHZCVLXRL-UHFFFAOYSA-N 374.912 4.672 0 40 FJAB COc1ccc2cc(CNC(=O)N3CCC[C@@H]3c3ccsc3)ccc2c1 65516128 OCWWGGXIRQPTAQ-HXUWFJFHSA-N 366.486 4.957 0 40 FJAB COc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccccc2)C1 72358351 OCGAJTNBGDKYBB-IBGZPJMESA-N 359.473 4.532 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cccc(Br)c1 89212740 CRQSYKAYDAEWFW-OAHLLOKOSA-N 369.303 4.651 0 40 FJAB CCc1ccc(N2Cc3nc4ccc(Br)cc4cc3C2=O)cc1 96319280 PKDWGQQNYRSAAY-UHFFFAOYSA-N 367.246 4.720 0 40 FJAB CCOc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 216288601 GABZCUQCJJMZFU-UHFFFAOYSA-N 372.468 4.900 0 40 FJAB CC(C)c1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 218962007 MWASTLPVJWDLKI-LJQANCHMSA-N 353.462 4.607 0 40 FJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219581276 OEEMWDVYYQECGO-ROUUACIJSA-N 371.452 4.710 0 40 FJAB Cc1cccc(CSCC(=O)NCCCc2ccc(OC(C)C)cc2)c1 222742840 DAHBRKVUWMWXSS-UHFFFAOYSA-N 371.546 4.764 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 224745877 MQHADJPQLBAHGJ-SFHVURJKSA-N 366.505 4.562 0 40 FJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 225635898 BEHLIAKORUCCIN-ZDUSSCGKSA-N 368.424 4.768 0 40 FJAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccc(OC)c(OC)c1 225718253 WTSUZXYAHKVIKO-OAHLLOKOSA-N 374.506 4.540 0 40 FJAB CCOc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccccc4[C@H]3C2)cc1 248377150 FSTNLUTUWKLVTD-GGAORHGYSA-N 371.440 4.723 0 40 FJAB CC(C)(C)CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257262074 LJYBBFQWUNYWHL-MRXNPFEDSA-N 358.457 4.547 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc(F)c1 408563430 VUKBXKOGIKWXAL-XDOYNYLZSA-N 354.450 4.734 0 40 FJAB O=C(CCSc1ccccc1)NC[C@H](c1ccco1)c1cccs1 585146809 SMSQBYFRCBDOAW-MRXNPFEDSA-N 357.500 4.772 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 1775971599 XDUFZQJFCFXJCW-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)c(N)c3cc2c1 907309 QPHYFJLMPVAASO-UHFFFAOYSA-N 353.491 4.745 0 40 FJAB Sc1nccc(-c2csc(COc3cc(Cl)cc(Cl)c3)n2)n1 1047814 RUDIYTSNOOANPV-UHFFFAOYSA-N 370.286 4.775 0 40 FJAB Cc1ccc(NC(=O)Cc2ncc(C(F)(F)F)cc2Cl)cc1Cl 1383803 CAKUULOOMQINFJ-UHFFFAOYSA-N 363.166 4.897 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 1903724 NBCNIWUNUHLDAX-JLHYYAGUSA-N 357.837 4.949 0 40 FJAB CCOc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 2396175 YCHMUPANXBOUOH-UHFFFAOYSA-N 356.838 4.572 0 40 FJAB CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 2497149 ZVWGIFUALLARCL-UHFFFAOYSA-N 371.458 4.670 0 40 FJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)c1 2503434 DWUFSRYSIJCFOG-UHFFFAOYSA-N 369.467 4.503 0 40 FJAB Cc1ccc(NC(=O)CSc2ccccc2F)c(Br)c1 3473743 GYXYEMRXIZIFRM-UHFFFAOYSA-N 354.244 4.627 0 40 FJAB COc1ccccc1[C@@]1(CCNCc2ccccc2)CCO[C@@H](C(C)C)C1 4043895 MCHNBXKKQKBCSE-RPWUZVMVSA-N 367.533 4.948 0 40 FJAB biogenic CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 4064168 CRNJSCYLVCPJNN-UHFFFAOYSA-N 368.477 4.727 0 40 FJAB Cc1ccc(SCCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 4496521 FFKDAKJJMITSOZ-UHFFFAOYSA-N 367.474 4.783 0 40 FJAB Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccsc2)cc1 4537803 KNBVSIWXCWRXSG-GZTJUZNOSA-N 368.483 4.528 0 40 FJAB COc1ccc(C2=NN(c3ccc(C=O)cc3)[C@H](c3ccccc3)C2)cc1 5257502 ZOJHEOXUAKSTAO-QHCPKHFHSA-N 356.425 4.863 0 40 FJAB CSc1cccc2sc(NC(=O)c3nc4ccccc4s3)nc12 5299233 GQOMYAIMOSKCJU-UHFFFAOYSA-N 357.485 4.880 0 40 FJAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2COc3ccccc3O2)cc1 6267384 WURVXAFXIWIEAU-OAQYLSRUSA-N 361.397 4.566 0 40 FJAB COc1ccc(-c2nnc(SCc3cc(-c4cccs4)on3)o2)cc1 7644954 MVAGJFXWIKTSHU-UHFFFAOYSA-N 371.443 4.754 0 40 FJAB COc1cc(CNCc2ccccc2)ccc1OCc1ccc(F)cc1 8471610 YVTPIZUSDGWCCP-UHFFFAOYSA-N 351.421 4.703 0 40 FJAB Cc1nc2ccccc2nc1CSc1nnc(NC2CCCCC2)s1 9498498 XFHBXYZCPDZSEI-UHFFFAOYSA-N 371.535 4.827 0 40 FJAB COc1cc2c(cc1NC(=O)c1sc(C)nc1C)oc1ccccc12 9751509 WMYSFBQWOCMJAD-UHFFFAOYSA-N 352.415 4.920 0 40 FJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1-c1ccccc1 9991476 DUOOVJNPTYGQHC-UHFFFAOYSA-N 370.496 4.879 0 40 FJAB CCCn1c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)nc2ccccc21 12546437 ZSBIKRUKRLXFHB-UHFFFAOYSA-N 373.460 4.501 0 40 FJAB O=C(CCSc1ccc(C(F)(F)F)cn1)Nc1ccccc1Cl 12636613 XIFUDGQWAMUYBA-UHFFFAOYSA-N 360.788 4.875 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F 12894617 XTNYVOLORCLEGS-SECBINFHSA-N 364.442 4.949 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 14022604 INPLEHBEDROHKL-SCLBCKFNSA-N 374.481 4.822 0 40 FJAB O=C(C1CCCC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 14093975 UDIKRLPWXKFLJJ-UHFFFAOYSA-N 373.884 4.851 0 40 FJAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 14164250 BWVVRSHNCOAGAG-OAHLLOKOSA-N 366.848 4.755 0 40 FJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1Cn1cccn1 19657551 HKODWHWIPZXMHZ-UHFFFAOYSA-N 361.445 4.505 0 40 FJAB C[C@@H](OC(=O)c1sccc1-n1cccc1)c1nnc(-c2cccs2)o1 22888384 UPOZQPSQPVUZBY-LLVKDONJSA-N 371.443 4.568 0 40 FJAB Cc1cc(C)c2cc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)[nH]c2c1 23017332 PWXGZAZTXKLGOA-UHFFFAOYSA-N 373.412 4.882 0 40 FJAB CCOC(=O)c1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 23296109 UUAMERPDNZARKX-UHFFFAOYSA-N 362.307 4.618 0 40 FJAB COc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2c1 29689522 DFSVONKAIUTPKI-GFCCVEGCSA-N 354.837 4.696 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 30869588 PBISLQMTGUYWJW-QFIPXVFZSA-N 368.521 4.941 0 40 FJAB O=C(COc1cccc2ccccc12)N(Cc1cccc2[nH]ccc12)C1CC1 32074555 HXCRNSJRKVPHJX-UHFFFAOYSA-N 370.452 4.891 0 40 FJAB O=C(c1ccccc1Br)N(Cc1cccc2[nH]ccc12)C1CC1 32097083 YWZMDGUUBALOPI-UHFFFAOYSA-N 369.262 4.735 0 40 FJAB Cc1ccc(-c2nc(NC(=O)C(C)C)sc2NC(=O)c2ccco2)cc1 35671443 AQEQBDKXCLPMQR-UHFFFAOYSA-N 369.446 4.558 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1c1ccccc1 40040587 OPEJIIRWOAQSAA-KRWDZBQOSA-N 352.459 4.618 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Cl 44903913 DGMYKBNMOUHYSH-MRXNPFEDSA-N 354.233 4.798 0 40 FJAB COc1ccc2oc(C)c(C(=O)Nc3nc4ccc(C)cc4s3)c2c1 46086055 PTLQDUOHJWBFKO-UHFFFAOYSA-N 352.415 4.920 0 40 FJAB CCOc1ccccc1-c1noc(-c2cc(-c3cc(C)ccc3C)n[nH]2)n1 46914330 RVMYDSDWVXGLOT-UHFFFAOYSA-N 360.417 4.809 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2c(C)cc(C)cc2O)cc1 57339442 YGDBXVQZDIXVOD-JOCHJYFZSA-N 371.436 4.902 0 40 FJAB O=C(COC1CCCCC1)Nc1nc(-c2ccccc2Cl)cs1 58407261 AFPGOJQQADTRDD-UHFFFAOYSA-N 350.871 4.751 0 40 FJAB O=C(NC1CCCCC1)c1cc(Cl)c(Br)c(Cl)c1 59842929 KGKRAAYRNPVIFA-UHFFFAOYSA-N 351.071 4.818 0 40 FJAB Cc1ccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C(C)C)cc1Cl 72288994 QHKUTTXIRPIFRL-LJQANCHMSA-N 360.885 4.699 0 40 FJAB COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 100990556 ILQHMUSVRKYHSL-KRWDZBQOSA-N 373.243 4.650 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2)cc1 107735802 LUSPUGUSVNCGOO-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB COc1ccc(-c2nc3c(s2)[C@H](NCc2cccnc2C)CCC3)cc1 109352262 OIHSXTRZBOFQBM-GOSISDBHSA-N 365.502 4.689 0 40 FJAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1SC3=NCCN3[C@]12O 118916130 PYAGEKHNNRKKHJ-KEGPBYDESA-N 374.594 4.505 0 40 FJAB CC(=O)c1ccc(NCc2ncc(-c3ccccc3Br)o2)cc1 172845418 XEYHPDTWFYMFEE-UHFFFAOYSA-N 371.234 4.919 0 40 FJAB CCCCOCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCC 224728039 MWLOJAHTNXPPIG-UHFFFAOYSA-N 357.450 4.663 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(F)cc1 225471413 ZRKNZFIRBXUSOE-SNVBAGLBSA-N 353.260 4.636 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225707359 JAKBGMICEAEDAM-HNNXBMFYSA-N 356.491 4.528 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225847695 UCRGASAVYRRTDP-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB O=C(CCC1CC1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 524490247 BTAPAXQMSSNVPP-UHFFFAOYSA-N 354.397 4.881 0 40 FJAB CC[C@H](c1ccncc1)N(C)Cc1ccc(OCc2c(C)noc2C)cc1 585084626 STSGDBVJBYHOLM-JOCHJYFZSA-N 365.477 4.849 0 40 FJAB CCCCOc1ccc(C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 1889237086 PNQFQICCGOQBND-UHFFFAOYSA-N 356.805 4.856 0 40 FJAB Cc1ccc(C)c(NC(=O)c2sc3nc(C(F)F)cc(C)c3c2N)c1 656917 OJSAFLOBHVCJFY-UHFFFAOYSA-N 361.417 4.994 0 40 FJAB CC(C)CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 657981 BJPIFWDHNZVPNX-UHFFFAOYSA-N 368.502 4.955 0 40 FJAB c1nc(SCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 703411 WJKAHFVGRBQPFU-UHFFFAOYSA-N 356.472 4.591 0 40 FJAB Cc1ccc(NC(=O)c2ccccc2Br)c(Br)c1 851348 GVKHDUCJJUYERE-UHFFFAOYSA-N 369.056 4.772 0 40 FJAB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccs1 917725 GRQYOUXMVUPVTN-UHFFFAOYSA-N 356.834 4.906 0 40 FJAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 975154 MFTFWJXPAXCVHS-MHWRWJLKSA-N 358.850 4.754 0 40 FJAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(F)cc1 1013018 RYKZCHHZRKJSMN-RQZCQDPDSA-N 352.390 4.544 0 40 FJAB Cc1cccc(OCCn2c([C@H](O)c3ccccc3)nc3ccccc32)c1 1926819 LYACGESZHMLCJP-JOCHJYFZSA-N 358.441 4.505 0 40 FJAB CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 2644055 OUDWVBLHOLIYAA-UHFFFAOYSA-N 370.207 4.743 0 40 FJAB Cc1ccc(NC(=O)c2ccc(F)cc2)c(NC(=O)c2ccc(F)cc2)c1 2752693 SKLZGVLXSJEICP-UHFFFAOYSA-N 366.367 4.778 0 40 FJAB O=C(C[C@H](NCc1ccccc1)C(=O)O)c1ccc(C2CCCCC2)cc1 3101876 AVYPZOHVVIYNID-NRFANRHFSA-N 365.473 4.550 0 40 FJAB CCc1cccc(CC)c1NC(=S)N(C)Cc1ccc(OC)cc1OC 3328240 PASLMXYAYANFRJ-UHFFFAOYSA-N 372.534 4.657 0 40 FJAB COc1ccc(OC)c(NC(=O)CSc2cc(Cl)ccc2Cl)c1 3417404 HXXDAKLUKAKWRN-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB COc1cc2c(cc1C(C)=O)[C@@H]1CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@@H]1CC2 4023569 OVPJRYHYLMZUJV-KLTPWBFKSA-N 370.489 4.686 0 40 FJAB biogenic Cn1cc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 4059769 MUNRKQKWIQJLAS-UHFFFAOYSA-N 364.392 4.928 0 40 FJAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccccc1 4070343 WGWWBXCDCIXEQF-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1 4301965 UUFXZTPDNIAVPV-UHFFFAOYSA-N 367.405 4.554 0 40 FJAB Cn1c(-c2ccccc2)cnc1NCc1c(F)cccc1Br 4678431 MTFISNLUJVBEAL-UHFFFAOYSA-N 360.230 4.601 0 40 FJAB COC1(OC)CCC2=C(CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 4775070 DSRZCCVUQXSSJM-MJCUULBUSA-N 362.510 4.624 0 40 FJAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccc(F)cc1 6473400 BQPQCADIXRNHTE-UHFFFAOYSA-N 370.177 4.542 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccs1)S[C@H](C)C(=O)N2 6679235 GAGIHUABFWDLNS-BDJLRTHQSA-N 373.478 4.545 0 40 FJAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccco2)c1 9461751 NQXNKTMMERHQAD-UHFFFAOYSA-N 372.424 4.585 0 40 FJAB Cc1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1C 11620652 UOUPDQKYMASCCC-UHFFFAOYSA-N 357.885 4.608 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 12999243 WAZPQNXXXGHHDV-LLVKDONJSA-N 357.866 4.658 0 40 FJAB COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1OCC(C)C 14227401 QIWKZRSPFZNJOA-UHFFFAOYSA-N 365.473 4.660 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 15782957 LSWMYQXENKCPIW-UHFFFAOYSA-N 367.408 4.752 0 40 FJAB Fc1ccc(CN2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)cc1 19376478 RCSDQZZZZHQGHH-IBGZPJMESA-N 374.419 4.761 0 40 FJAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1 29753100 UFAGPAOYVPKAQY-UHFFFAOYSA-N 359.429 4.513 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 32106333 DEOHTQKPNYFAKN-UHFFFAOYSA-N 367.408 4.752 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1N1CCCCC1 33784535 OCPAWOWGAPWKHZ-UHFFFAOYSA-N 374.868 4.600 0 40 FJAB CCCCCCNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c12 36618501 XYFYOEWFDGIVBO-UHFFFAOYSA-N 355.413 4.647 0 40 FJAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 38756632 PYUPTCRTJBSTPM-QGZVFWFLSA-N 367.470 4.827 0 40 FJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc(C)c(O)c(C)c2)s1 43277889 KKAYBQMZSNGQBR-UHFFFAOYSA-N 369.534 4.668 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(OC)cc1 71844330 ZVGMHJSNELGZBH-FGZHOGPDSA-N 351.490 4.813 0 40 FJAB C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1ccc(Cl)nc1 78668350 DWQTXYNFDIGEJF-ZDUSSCGKSA-N 367.836 4.532 0 40 FJAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccccc3)c12 85877137 SDRJSPJKBRKZCS-SFHVURJKSA-N 374.440 4.608 0 40 FJAB biogenic CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCC2 101082628 FXBOBWJPZFPWQV-YDHLFZDLSA-N 361.507 4.567 0 40 FJAB O=C(O)C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 145043505 WGNUUNAZXFEOKE-UHFFFAOYSA-N 371.480 4.775 0 40 FJAB COc1ccc(CCCNC(=O)c2ccccc2CCc2ccccc2)cc1 219002537 CRDXYFHANQLLSS-UHFFFAOYSA-N 373.496 4.843 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C 219309489 JWPJXJGEQFZHGF-LJQANCHMSA-N 369.505 4.609 0 40 FJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2O1 223574274 YTTJJUGOWZCDLD-LJQANCHMSA-N 355.453 4.957 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(F)c(Cl)c3)o2)c1 224846434 CYUSBFSMXNGADE-UHFFFAOYSA-N 374.799 4.714 0 40 FJAB O=C1C[C@@H](c2ccc(Cl)cc2)c2cccn2-c2cc3c(cc21)OCCO3 225380383 AZZQCAILELBFOK-HNNXBMFYSA-N 365.816 4.620 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c1C 225469402 DJSXNEFPYDCTTP-OAHLLOKOSA-N 356.491 4.528 0 40 FJAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Cl 225756428 FMYXKOVAMOFGFF-UHFFFAOYSA-N 371.864 4.967 0 40 FJAB CCc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2c(C)c(C)cc(C)c32)cc1 226763007 DFULDQYVESBHDW-KRWDZBQOSA-N 362.425 4.722 0 40 FJAB Cc1ccccc1NC(=O)c1cccc(OC(=S)N2CCC(C)CC2)c1 408722694 WBUWJEDKSQZKNH-UHFFFAOYSA-N 368.502 4.643 0 40 FJAB CCO[C@@H](C)c1ncc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 527029565 LBXKPMQRAOTKCN-WHOFXGATSA-N 364.898 4.570 0 40 FJAB O=C(CC1CCC2(CC1)CCN(CC1CCCCC1)CC2)N1CCCC1 2055750908 LBNLXFHXFPLBNX-UHFFFAOYSA-N 360.586 4.852 0 40 FJAB COc1ccc(O[P@](C)(=O)Nc2cccc(Br)c2)cc1 663413 CTLMGDIMLWZKSM-FQEVSTJZSA-N 356.156 4.772 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(N)cc3s2)c(C)c1 712854 IORSEUJAZCCCPL-CYBMUJFWSA-N 371.531 4.923 0 40 FJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 887474 NZQOOAOEJPBBAD-UHFFFAOYSA-N 362.454 4.639 0 40 FJAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1 934646 MKGHBCMDGYVFCV-CQSZACIVSA-N 362.267 4.780 0 40 FJAB O=C(Nc1ccc(OCCCCCOc2ccccc2)cc1)C(F)(F)F 1572587 ZUGBLKGUFXHPFF-UHFFFAOYSA-N 367.367 4.816 0 40 FJAB O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1cccc(C(F)(F)F)c1 3132963 CVEXTEYGVWGKFR-UHFFFAOYSA-N 369.346 4.513 0 40 FJAB CC(C)Cc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 3357259 TVIKZXZJJPIACO-UHFFFAOYSA-N 369.874 4.996 0 40 FJAB S=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 4059425 MVQSJBQPFQMUFP-LJQANCHMSA-N 367.905 4.944 0 40 FJAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccc2ccccc2c1 4315617 FJHAXCJMYUENCW-UHFFFAOYSA-N 373.481 4.752 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)NCc2cc(C)nc3ccccc23)cc1 4710435 IAMZJTPZCZWQDI-MRXNPFEDSA-N 362.473 4.752 0 40 FJAB O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)OCc1ccccc1 4887775 DKRWSCHASXIAHU-OEMFJLHTSA-N 370.448 4.886 0 40 FJAB CC(C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 5294771 RULPGAAHRDHJOK-JOCHJYFZSA-N 359.469 4.677 0 40 FJAB biogenic CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2 5474057 SOEJQCLJBMWREC-BUHFOSPRSA-N 369.486 4.846 0 40 FJAB CCOc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 6270985 QYLJOKGBOBTJTJ-UHFFFAOYSA-N 364.829 4.669 0 40 FJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(CN2CCCC2)cc1 6646171 WSXACUHEVBURNH-UHFFFAOYSA-N 360.457 4.697 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@H](c2ccc(C)cc2)c2cccs2)c1 7739797 HCZUDPYMOAMUSJ-HXUWFJFHSA-N 367.470 4.593 0 40 FJAB Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cccn4)cc3)c2)cs1 7990852 MIEPLCVDNYUDFE-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB C[C@@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C(=O)O1 8326248 SOIHZPDWALMKBI-CJNGLKHVSA-N 351.427 4.805 0 40 FJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8481206 QVDQAFNSKBMCAW-JTQLQIEISA-N 373.758 4.773 0 40 FJAB C[C@@H](Sc1ncc(-c2ccccc2)[nH]1)C(=O)Nc1cccc(Cl)c1 8568952 XMSRVHZUQWRQFN-GFCCVEGCSA-N 357.866 4.849 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccc(F)cc1)c1cccs1 9897406 QCEICAXAQRDMQP-NRFANRHFSA-N 364.445 4.817 0 40 FJAB CCCCOc1ccccc1C(=O)Nc1nc(-c2cccs2)ns1 11916756 CUSQRGUKUVIICL-UHFFFAOYSA-N 359.476 4.698 0 40 FJAB CCS(=O)(=O)c1ccc2oc(Nc3ccc4ccccc4c3)nc2c1 12540709 NLDDZUITUKCYMC-UHFFFAOYSA-N 352.415 4.518 0 40 FJAB CC[C@@H](NC(=O)c1cc2cc(OC)cc(OC)c2[nH]1)c1ccc(Cl)cc1 12904810 AFWQXLJHRVGXPS-MRXNPFEDSA-N 372.852 4.720 0 40 FJAB Cc1nc2cc(F)ccc2cc1C(=O)N(C)Cc1nc2ccccc2s1 12921786 YBDZZHPJEMYUPJ-UHFFFAOYSA-N 365.433 4.564 0 40 FJAB C[C@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1 13584563 SQDVIQOMBJHZFW-CLVCIHKQSA-N 371.440 4.568 0 40 FJAB O=C(CSc1cccc2ccccc12)Nc1ccc(Cl)c(C(=O)O)c1 15018900 HAJNRAYHNJWZFO-UHFFFAOYSA-N 371.845 4.922 0 40 FJAB Cc1ccccc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 15093863 UVHAUZAZJZYMOJ-UHFFFAOYSA-N 374.815 4.584 0 40 FJAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccc(F)cc3F)c2C)cc1 17316061 SKPPCTCAXAOXPN-HNNXBMFYSA-N 369.459 4.986 0 40 FJAB CC(C)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 18157427 MRFVUJHKPFNVFN-UHFFFAOYSA-N 354.475 4.565 0 40 FJAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)n1 19660632 YIBIBOZBXBDYRN-MRXNPFEDSA-N 365.481 4.555 0 40 FJAB Cc1ccc(OCC(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc1 22769041 ZEZFSPTXZQPCEB-UHFFFAOYSA-N 363.369 4.518 0 40 FJAB O=C([C@@H]1Cc2ccccc2S1)N1CCCc2cc(C(F)(F)F)ccc21 24472947 JJBNVGGCYXGZFM-KRWDZBQOSA-N 363.404 4.702 0 40 FJAB CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 36617364 KQMNQCLIJLMQBE-UHFFFAOYSA-N 363.417 4.629 0 40 FJAB COC(=O)c1cc(Nc2cc(Cl)ccc2OC)c2cc(C)ccc2n1 38486811 RQZSPMZXELGDAR-UHFFFAOYSA-N 356.809 4.735 0 40 FJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(Cl)c1 40948739 RMJYXWRDYWFVCZ-VMPITWQZSA-N 366.642 4.763 0 40 FJAB O=S(=O)(NCCC1=CCCCC1)c1ccc(Oc2ccccc2)cc1 44846639 OYCVBHDBUPYDRE-UHFFFAOYSA-N 357.475 4.648 0 40 FJAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl 45890505 KWPOEFOFUIKTKN-UHFFFAOYSA-N 368.289 4.518 0 40 FJAB COc1ccc(-c2nc(CN(C)Cc3ccc(F)c(F)c3)cs2)cc1 48278077 JRGBURLTWXPEBL-UHFFFAOYSA-N 360.429 4.729 0 40 FJAB CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)c4cc(O)ccc4[C@H]3CC[C@]12C 65742878 PRZIFAMBDFWLSI-CGHIAJOVSA-N 372.505 4.841 0 40 FJAB in-vitro Cc1cc2oc(C(=O)Nc3cccc(Cl)c3C)cc(=O)c2cc1Cl 72238594 VUHRNZCEAVGKHF-UHFFFAOYSA-N 362.212 4.969 0 40 FJAB C[C@H]1CCCCN1C(=O)c1cc(Cl)c2cccc(Br)c2n1 72294366 ZKDHUWUVXMWTTC-JTQLQIEISA-N 367.674 4.665 0 40 FJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72353831 HFXKWDUJWBZUKW-IBGZPJMESA-N 370.924 4.996 0 40 FJAB CC(=O)N[C@@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3F)c2C1 84753033 MEWIXCHJBDVYFZ-CQSZACIVSA-N 368.839 4.688 0 40 FJAB O=C(Cc1cccc2cccnc12)NC1c2ccccc2Oc2ccccc21 95393041 ZHULDMGLYMYJIE-UHFFFAOYSA-N 366.420 4.789 0 40 FJAB CCc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)s1 96122957 XBZQHRQSVHDOFZ-UHFFFAOYSA-N 363.529 4.518 0 40 FJAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc2cccc(Cl)c2s1 96343523 ZBHRYYRXRLYTQJ-GDBMZVCRSA-N 362.926 4.549 0 40 FJAB biogenic CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219317623 YOGIYVJMUWFGQQ-UXHICEINSA-N 367.489 4.879 0 40 FJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 219330130 ZBHDYCBJNKZRDX-JOCHJYFZSA-N 369.505 4.609 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219567471 RXOQHQLUCVSNCE-OALUTQOASA-N 355.478 4.737 0 40 FJAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C 224097389 HCJPBLTZCQYXFA-UHFFFAOYSA-N 365.404 4.974 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224893429 MMJVEUPKYHSIQW-QGZVFWFLSA-N 367.367 4.944 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224969434 GCZJRBIELNNARB-NRFANRHFSA-N 352.478 4.781 0 40 FJAB COc1ccc(C)cc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225117979 NXXGHILVPZNNQE-QFIPXVFZSA-N 362.425 4.745 0 40 FJAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225336156 VUSKSBQZDHIKBX-CQSZACIVSA-N 366.288 4.818 0 40 FJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225608501 NBIXEVJYJWWEPC-JOCHJYFZSA-N 355.478 4.964 0 40 FJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225740995 CIMKGMACPVSCQX-AUUYWEPGSA-N 371.905 4.678 0 40 FJAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226356374 CWMLUXLQQYHOKI-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CC2CCCC2)N1c1ccc(F)cc1 1615157574 LDRUDJWAUVSSCI-PMACEKPBSA-N 358.501 4.754 0 40 FJAB c1coc(-c2nn3c(CSC45CC6CC(CC(C6)C4)C5)nnc3s2)c1 1772491173 QMFLYXJSXFVPPJ-UHFFFAOYSA-N 372.519 4.648 0 40 FJAB CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 1775971413 QDAYFIHHQAKDBR-UHFFFAOYSA-N 361.850 4.693 0 40 FJAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)no2)cc1 1775977079 VZLGEFYTDQUNAY-AAEUAGOBSA-N 366.248 4.575 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1 755236 LIXPMRLIXAEPAY-UHFFFAOYSA-N 372.251 4.868 0 40 FJAB COc1ccc(Cl)cc1-n1nc(C)c2c1C[C@@H](c1ccccc1)CC2=O 1076583 MXAYUGPVBMYVDT-OAHLLOKOSA-N 366.848 4.755 0 40 FJAB Clc1ccc(-c2nnc3c(N4CCCCC4)nc4ccccc4n23)cc1 1081962 AMDJOKKEUFYYCN-UHFFFAOYSA-N 363.852 4.588 0 40 FJAB Cc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Cl)cc3)oc2=O)cc1 1398216 SAGNQAAEDXSOHH-UHFFFAOYSA-N 353.805 4.829 0 40 FJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1cccs1 3135906 NRMBCCQYIZSBFS-UHFFFAOYSA-N 366.442 4.570 0 40 FJAB CCc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 4707666 DFPROFAPGUHNPC-UHFFFAOYSA-N 355.488 4.678 0 40 FJAB Cc1sc2nc(SCc3cccc(Cl)c3)n(C)c(=O)c2c1C 5070764 JAFJRTNWJQUDRW-UHFFFAOYSA-N 350.896 4.558 0 40 FJAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC[C@@H](C)O 5524256 JZSMZIOJUHECHW-WANZOYLWSA-N 356.547 4.919 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)c1 8264909 IFDRJPGTNHOYGJ-LLVKDONJSA-N 368.355 4.605 0 40 FJAB O=C(CSC1CCCC1)N1c2ccccc2OC[C@H]1c1ccccc1 8522099 XUMXGYKUXLTLJF-IBGZPJMESA-N 353.487 4.829 0 40 FJAB FC(F)(F)c1c2c(nn1-c1nc(-c3cccnc3)cs1)CCCCC2 8777759 RSYSDYCHVOCNOF-UHFFFAOYSA-N 364.396 4.679 0 40 FJAB Cc1c(Cl)cccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1 9320780 KOWSJBILRZESLD-UHFFFAOYSA-N 351.797 4.572 0 40 FJAB Clc1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 9420579 SXNFFGLCUAJMJW-UHFFFAOYSA-N 351.822 4.655 0 40 FJAB c1csc(-c2cc(CSc3nnc4sc5ccccc5n34)no2)c1 12533910 WYYMQARSJMLHIU-UHFFFAOYSA-N 370.484 4.953 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 12545760 HXNDCRAUWWVGPF-ZDUSSCGKSA-N 352.356 4.641 0 40 FJAB CCOc1cc2c(cc1NC(=O)c1cccc(Cl)c1Cl)O[C@H](C)C2 12988406 BNZWYXGMNHYPFX-SNVBAGLBSA-N 366.244 4.968 0 40 FJAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 14410285 PZYVBFQXTNYSAR-UHFFFAOYSA-N 365.289 4.959 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 20487224 MAAQPNFZDSJKLO-MRXNPFEDSA-N 353.340 4.510 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC 20492778 USQOOIFNORNRNH-KRWDZBQOSA-N 365.882 4.867 0 40 FJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccnn1C(C)C 22290108 RGIAZSQZRYLLIF-UHFFFAOYSA-N 360.870 4.802 0 40 FJAB CCOC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 24040883 BOYMWYWVJLQOJF-UHFFFAOYSA-N 371.396 4.661 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc2ccccc12 26748053 IZHSSSOQGFNZCI-HNNXBMFYSA-N 373.481 4.778 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)cc1 30850653 MPLPJTIKZDYQIC-ZHRRBRCNSA-N 363.457 4.883 0 40 FJAB CCCCOc1ccc(S(=O)(=O)n2ccnc2C(C)C)c2ccccc12 31904030 WUGRRVOVFXWCDS-UHFFFAOYSA-N 372.490 4.576 0 40 FJAB CCOc1cccc2cc([C@H](C)NC(=O)N[C@@H](C)c3ccccc3)oc12 32802164 KKADTLYWVILLIP-GJZGRUSLSA-N 352.434 4.953 0 40 FJAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 32833408 FZHSLHSNNVHDAI-INIZCTEOSA-N 350.462 4.766 0 40 FJAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1F 33012720 XXFOEDBNLFBBOC-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 33735873 JTWIDPBRMUUWLL-UHFFFAOYSA-N 364.257 4.754 0 40 FJAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1ccc(Cl)s1 41105108 RDNDVKXOFSAQIP-JTQLQIEISA-N 351.834 4.784 0 40 FJAB COc1cc(Br)c2oc(-c3ccc(OC)c(Cl)c3)nc2c1 45920252 KZTALMLIESETKS-UHFFFAOYSA-N 368.614 4.928 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1OC 48276345 JBRGBFHLWXEAFO-MRXNPFEDSA-N 370.474 4.757 0 40 FJAB COC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 58378160 RAVGQHSBORFPNP-NSHDSACASA-N 366.244 4.613 0 40 FJAB COc1ccc(NC(=S)Nc2ccc(Br)cc2F)cc1F 71325912 UXCZQXJTSSZRHQ-UHFFFAOYSA-N 373.222 4.545 0 40 FJAB CCC[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 72238634 NUEYVOALJKJTHP-SFHVURJKSA-N 364.445 4.664 0 40 FJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1ccccn1 72402830 JRKSZRLMWJGFBW-AWEZNQCLSA-N 365.260 4.539 0 40 FJAB Cc1ccc(NC(=S)NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 100497284 YFDHSYLOSKBZMO-LDEVPTQISA-N 356.535 4.805 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113951936 JRJDVYHVZGLOQB-RTBURBONSA-N 361.869 4.774 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1 222823144 LXIKWBYDUZYERO-VGSWGCGISA-N 351.490 4.909 0 40 FJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223081198 MZBHMQJHZRRADT-DLBZAZTESA-N 357.548 4.757 0 40 FJAB Fc1cccc(F)c1NC(=S)NCCSc1ccc(Cl)cc1 225288229 KAODRIKODGCNSO-UHFFFAOYSA-N 358.866 4.697 0 40 FJAB Cc1ccc(CSCCNC(=S)Nc2cccc(Cl)c2)cc1 225292233 CLWPGQIDVIFXDB-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB Fc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225368130 PLPXMELTOIGBRX-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB Nc1ccc(Nc2ccccc2Oc2ccccc2)c(C(=O)NC2CC2)c1 225495223 UPNRTNAKNFHXBR-UHFFFAOYSA-N 359.429 4.697 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(OC)c(C)c1 225787923 UJHMVHHVQNOSEX-PBHICJAKSA-N 361.869 4.692 0 40 FJAB COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 409192658 DLIKOMDUIRSLTM-MHWRWJLKSA-N 359.834 4.898 0 40 FJAB Cc1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)o1 679459892 IEYRHBSJQUSVNM-INIZCTEOSA-N 369.396 4.535 0 40 FJAB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc2ccccc2c1 992718 PJANSBMHYWTEQG-UHFFFAOYSA-N 356.377 4.738 0 40 FJAB CC[C@@H](Sc1ncnc2sc3c(c12)CC[C@H](C)C3)C(=O)OC(C)C 1238431 LKYKZGJYTQIKNA-WCQYABFASA-N 364.536 4.638 0 40 FJAB CCCOC(=O)c1ccc(Oc2coc3cc(OCC)ccc3c2=O)cc1 2401022 BOCWOZFMBFVSMR-UHFFFAOYSA-N 368.385 4.551 0 40 FJAB biogenic COc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1OC 4078625 YKULSJITVGQGLH-SOFGYWHQSA-N 372.471 4.541 0 40 FJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc2c(c1)CCC2 4548424 HNZQLWVHRAEQJC-LBPRGKRZSA-N 368.433 4.728 0 40 FJAB O=C(c1ccccc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 4671371 PIFUCUFMJNEHLK-FQEVSTJZSA-N 360.844 4.984 0 40 FJAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(O)cc3)nc2c1 4733608 YSRGPDBJXZXYQH-UHFFFAOYSA-N 373.412 4.530 0 40 FJAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2nc3ccccc3s2)cs1 5268361 NJLQZIYIMJHAQQ-UHFFFAOYSA-N 369.446 4.740 0 40 FJAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1[C@H](O)CC(C)(C)C2 5270410 ATQDXMOISCSBCM-CYBMUJFWSA-N 367.367 4.865 0 40 FJAB Cc1ccc2nc(COc3ncnc4scc(-c5ccccc5)c34)cn2c1 6507808 SMTQFDWIWLIALA-UHFFFAOYSA-N 372.453 4.893 0 40 FJAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCC2)cc(C)c1Cl 6571498 XMALQYBVJDWEOB-UHFFFAOYSA-N 358.869 4.575 0 40 FJAB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 6586264 LYTQGGMMEKBUJD-HOHWLGBASA-N 374.484 4.867 0 40 FJAB Cc1ccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)o1 6602544 KPJRYSDJDJYYEW-INIZCTEOSA-N 350.443 4.693 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C 6632463 LFBMKFUKJDDAJU-UHFFFAOYSA-N 352.478 4.557 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3ccn(C)n3)c3ccccc3n2)c(C)c1 6651891 XUCGPSFAPXYTBW-UHFFFAOYSA-N 356.429 4.504 0 40 FJAB O=C(NCCCOC1CCCCC1)c1cc(C2CC2)nc2ccccc12 6989184 HHAOQVIAWMINJY-UHFFFAOYSA-N 352.478 4.581 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)CSc3ccccn3)ccc21 7699790 LIFFVDUFKMOGRR-UHFFFAOYSA-N 361.470 4.940 0 40 FJAB Cc1cccc(NC(=O)CN(c2cccc(C)c2)c2n[nH]c(=S)s2)c1 8414734 YLQODGKEPXKJBE-UHFFFAOYSA-N 370.503 4.594 0 40 FJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C1CCCCC1 9498754 OERJVBATXYACIP-UHFFFAOYSA-N 354.494 4.546 0 40 FJAB C[C@H]1c2ccsc2CCN1c1nc(-c2cccnc2)nc2ccccc12 9645931 JTBBEXPVKTXLOZ-AWEZNQCLSA-N 358.470 4.877 0 40 FJAB Cc1cc(OCCCCn2c(C=O)nc3ccccc32)cc(C)c1Cl 11735031 UWMBLDPMAHVMLD-UHFFFAOYSA-N 356.853 4.978 0 40 FJAB Cc1ccc(CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 12633823 RDARKWWKJFVREK-CQSZACIVSA-N 351.479 4.500 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 14115798 ZYNIESIMCQFRPK-OAHLLOKOSA-N 363.486 4.817 0 40 FJAB O=C(CNc1ccc(Cl)cc1F)Nc1ccccc1SC(F)F 15292128 JGYFADCEFFLODH-UHFFFAOYSA-N 360.788 4.844 0 40 FJAB C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc2ccccc12 15814818 YNGQESZCQCTTLQ-ZUOKHONESA-N 351.833 4.674 0 40 FJAB CC(C)Sc1nc2ccccc2n1CC(=O)N1c2ccccc2C[C@@H]1C 15913182 GOTJTMCORCMCOI-HNNXBMFYSA-N 365.502 4.515 0 40 FJAB COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)C(C)C 17074347 ZBLNGGPZOUZHOU-UHFFFAOYSA-N 360.841 4.504 0 40 FJAB CSc1ccc(CN(C)C(=O)Cc2csc(-c3ccsc3)n2)cc1 19205223 LAUPITBEQMUDKV-UHFFFAOYSA-N 374.556 4.795 0 40 FJAB O=C(c1cc2c(F)cccc2[nH]1)N(CCc1ccccc1)Cc1cccnc1 19371152 RWXHYBNAIUFARR-UHFFFAOYSA-N 373.431 4.587 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 19932998 GESYXXQNADOPQW-CYBMUJFWSA-N 352.261 4.866 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC 20110540 VTZDJXNLVHCCCA-CVEARBPZSA-N 373.518 4.679 0 40 FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 22513362 FRRCHDYLEUGNKX-SFHVURJKSA-N 357.519 4.596 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(Cl)c1Cl 32029404 BILCPQNZPBZIOK-UHFFFAOYSA-N 360.200 4.828 0 40 FJAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2nc(-c3ccccc3)cs2)cc1 32922122 DWMJIXYYTIEQAH-AWEZNQCLSA-N 365.454 4.801 0 40 FJAB Cc1c(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)oc2c1C(=O)CC(C)(C)C2 32932582 SGWUXYIUGBCSIX-WFASDCNBSA-N 369.461 4.732 0 40 FJAB O=C(O)CC1(CC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCCC1 63897953 DVIOBIDHLLUGIN-UHFFFAOYSA-N 372.490 4.928 0 40 FJAB Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3nc(C)cs3)c2C(C)C)cc1 67860767 YKPDBLUBVMZBAJ-HNNXBMFYSA-N 368.506 4.560 0 40 FJAB COc1ccccc1OCCC(=O)N(c1ccccc1)c1nc(C)cs1 69439398 FMPVKSPGDSIVKN-UHFFFAOYSA-N 368.458 4.594 0 40 FJAB Cc1cc2c(cc1C)[C@H](N(Cc1nnc(C(C)C)o1)C1CC1)CCCO2 72309435 JOUOFEMHCFAGNJ-GOSISDBHSA-N 355.482 4.688 0 40 FJAB Fc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348948 HWQIYSNDAWXHKB-IBGZPJMESA-N 361.464 4.586 0 40 FJAB O=C(CN[C@@H](Cc1ccccc1)C1CC1)Nc1cccc(Cl)c1Cl 95466637 GKXZTXOIPSJIEQ-KRWDZBQOSA-N 363.288 4.543 0 40 FJAB c1ccc2c(c1)OC1(CCN(CC3CC3)CC1)C[C@@H]2NCc1ccsc1 96242804 BBBSZFDYLWUGKK-FQEVSTJZSA-N 368.546 4.606 0 40 FJAB C[C@H](c1ccco1)N(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CC1 106866449 YVDPELMCABEXSX-OAUYIBNBSA-N 374.278 4.898 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1C 219309028 GKVPMPACIAPDPG-GOSISDBHSA-N 373.452 4.940 0 40 FJAB O=C(COc1cccc2c1CCCC2)NC(c1ccccc1)c1ccccc1 223070969 REAZNBFQDGSQSK-UHFFFAOYSA-N 371.480 4.850 0 40 FJAB C[C@@H](NC(=S)Nc1ccc(N2Cc3ccccc3C2)nc1)c1ccccc1 223958482 CSRGIVQULJQRKZ-MRXNPFEDSA-N 374.513 4.649 0 40 FJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1 224365574 STJWSEIBZFRVMG-UHFFFAOYSA-N 353.462 4.536 0 40 FJAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccc(Cl)c(C)c1 224539689 LNWFGBYGFXMMRH-UHFFFAOYSA-N 361.869 4.764 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c(C)c1 225707544 PJWGKLBDCKFWGB-INIZCTEOSA-N 370.518 4.836 0 40 FJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1 408528525 IVATYSICPKGXIW-UHFFFAOYSA-N 362.429 4.850 0 40 FJAB CCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 409062614 XSYBQCHXYTVADF-UHFFFAOYSA-N 350.809 4.510 0 40 FJAB COc1ccccc1Oc1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1 729305838 RQLBXBPJGVGDCI-IZZDOVSWSA-N 364.376 4.674 0 40 FJAB COc1cccc(C[C@]2(C(=O)NC[C@@H]3CCCC3(C)C)C[C@H]3CC[C@H]2C3)c1 1129290187 UOSNFNLREJKUHX-XHOYROJHSA-N 369.549 4.987 0 40 FJAB C[C@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(OC(F)F)c1 1526731088 TXMFGOYOCLQHHU-AWEZNQCLSA-N 356.372 4.570 0 40 FJAB O=C(C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccco1 864963 JFVIFBAJBXUHRV-IBGZPJMESA-N 374.845 4.721 0 40 FJAB CC1(C)c2ccccc2N2CC(=O)N(Cc3cccc4ccccc34)[C@]21C 1086446 BFFIRSYGRILEQN-DEOSSOPVSA-N 356.469 4.696 0 40 FJAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nc2ccccc2s1 3275278 DCMLMIZNYBBURG-UHFFFAOYSA-N 353.230 4.542 0 40 FJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nncs2)c2ccccc2)c1 3389424 IFKMJDSJUDNWTK-MRXNPFEDSA-N 355.488 4.627 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(Br)ccc1Cl 3431242 MKRPPSWDRWVERJ-LBPRGKRZSA-N 366.686 4.854 0 40 FJAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 4127521 OATWVEOEZQIVDY-JQHSSLGASA-N 372.468 4.570 0 40 FJAB CCCCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)NC)c1 4570422 NQWVHPCEFWWPCY-UHFFFAOYSA-N 374.506 4.546 0 40 FJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1C 4619675 ZUXHCVRDHFEGBD-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 4816537 DNEDZFLWIZVVRU-RTWAWAEBSA-N 374.488 4.762 0 40 FJAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1-c1nccs1 5628948 HEFZAXADLQWNDM-UHFFFAOYSA-N 369.471 4.667 0 40 FJAB CN(C)C(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 6335319 CZQKYXHZSRKHGG-UHFFFAOYSA-N 372.468 4.549 0 40 FJAB COc1ccc(CCNCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 6784982 UDORZYRROIAJRK-UHFFFAOYSA-N 374.484 4.588 0 40 FJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 7641388 ZXGMMIQZXZLYDR-UHFFFAOYSA-N 358.850 4.653 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904044 RJXPCSQKEDIIMR-UHFFFAOYSA-N 367.445 4.745 0 40 FJAB Cc1ccc2[nH]c(-c3cc4cc(Br)cc(C)c4oc3=O)nc2c1 9187540 HPJLAVBZKOFTLN-UHFFFAOYSA-N 369.218 4.716 0 40 FJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NOCc1ccccc1 10319296 IAZFOWWNWIDXCA-UHFFFAOYSA-N 358.850 4.634 0 40 FJAB Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)s1 12981800 GYAHWVYBNOFJGE-UHFFFAOYSA-N 365.454 4.879 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c1 12985165 WPSQPSMHRZIRTH-CVEARBPZSA-N 367.493 4.890 0 40 FJAB Cc1ccsc1CN(CCCO)Cc1ccc2cccc(Cl)c2n1 13997376 NOIXEQUSKOXZAJ-UHFFFAOYSA-N 360.910 4.643 0 40 FJAB COc1cc(C)c(NC(=O)c2sccc2-c2ccccc2)cc1OC 14109778 KVPFJXBMSODKGU-UHFFFAOYSA-N 353.443 4.993 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2occc2C)c2ccccc2)c1 14165763 DTSADNZTEQIUSB-HXUWFJFHSA-N 363.413 4.742 0 40 FJAB C[C@H](CCc1ccccc1)NC(=O)Cc1csc(-c2cccs2)n1 17338236 PVNQUJOQQTUBLM-CQSZACIVSA-N 356.516 4.552 0 40 FJAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(F)c(F)c2)c1C 19557932 NJYSICSWIVAGGO-GOSISDBHSA-N 372.419 4.687 0 40 FJAB CCOc1ccc(CNc2ccc(Br)cc2F)cc1OC 20558188 QQNYYKXKTUEYNL-UHFFFAOYSA-N 354.219 4.608 0 40 FJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cc(Cl)ccn1 22585742 UWLJWHGLBIMSOV-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB CC1(C)CC(=O)C[C@]2(C1)NC[C@H](c1ccccc1)c1c2[nH]c2ccccc12 25721250 RDUOSIUGTZVTHR-NTKDMRAZSA-N 358.485 4.878 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 28230839 UXCULIQILNXNQC-UHFFFAOYSA-N 357.866 4.559 0 40 FJAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccccc1F 33750386 PCFOMDQTSMYBEE-UHFFFAOYSA-N 373.493 4.821 0 40 FJAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)C1 36351187 IMYHTICGAHSCKP-ASUYLVSUSA-N 360.885 4.848 0 40 FJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1OCc1ccncc1 40069882 KMNFQYVRODBYRW-UHFFFAOYSA-N 373.456 4.513 0 40 FJAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 40114851 KOQXZFYCEAMUGV-IFXJQAMLSA-N 355.869 4.764 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC(c1ccccc1)c1ccccc1 44840971 ZYBQOXNIDOQFGB-NRFANRHFSA-N 363.432 4.889 0 40 FJAB Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)c1 49421660 GWPHYGCATLIAQX-UHFFFAOYSA-N 361.470 4.529 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c(N)cc1Cl 72229065 MEKYKQYDJGTUQH-AWEZNQCLSA-N 357.885 4.862 0 40 FJAB C[C@@H](OC(=O)c1ccc2ncccc2c1)C(=O)Nc1cccc2ccccc12 72274823 RWBPEKZUCYUJRJ-OAHLLOKOSA-N 370.408 4.572 0 40 FJAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)c1cccc(C)c1 72414381 IIIHSPSPZROGGA-UHFFFAOYSA-N 367.898 4.571 0 40 FJAB C[C@@H](Oc1ccc(F)cc1Br)c1nnc(-c2cccs2)o1 78739100 IDBSUUFBDYWWBN-MRVPVSSYSA-N 369.215 4.840 0 40 FJAB O=C1c2ccccc2N[C@H](c2csc3ccccc23)N1C[C@H]1CCCO1 95946991 BJHVIKMRLMWEEF-VLIAUNLRSA-N 364.470 4.647 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1OC 102432415 ISIHBRKYZWNOQJ-BBWFWOEESA-N 354.494 4.887 0 40 FJAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=NC3(CCCC3)C2=C(O)C1 104114557 JHIQMQNJJGISIB-UHFFFAOYSA-N 364.449 4.995 0 40 FJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224155331 DDCZZUOCOZPJBW-WOJBJXKFSA-N 362.502 4.641 0 40 FJAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(N3CCCC3)cc2)c1 224898093 AXXVCLLRZVBQMP-UHFFFAOYSA-N 354.519 4.776 0 40 FJAB C[C@@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1F 257209347 BQAWPUPKSRCUMQ-NHMRUBIDSA-N 370.420 4.945 0 40 FJAB Cc1csc(-c2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccn2)n1 257222766 DUQIHZBXFJHARI-HNNXBMFYSA-N 359.495 4.628 0 40 FJAB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408713853 BACHMXGIZNPBSY-UHFFFAOYSA-N 363.461 4.615 0 40 FJAB Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)nc(-c2cccnc2)n1 509486073 KRYDRYNIVRCNGD-WKCHPHFGSA-N 356.473 4.762 0 40 FJAB O=C(O[C@@H](c1ccc2c(c1)OCO2)c1nccc2ccccc12)c1ccco1 945402 WJEKXBHUOGFVMV-NRFANRHFSA-N 373.364 4.503 0 40 FJAB CC(C)C(=O)N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 973356 PBNHHNSWAGXQDK-HNNXBMFYSA-N 359.684 4.720 0 40 FJAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@H](C)C2 1088616 XHGXSUPOLCWCTL-ZDUSSCGKSA-N 357.475 4.610 0 40 FJAB Oc1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccc(F)cc2)C1 1246552 BMZVWHWPKMYZNC-HXUWFJFHSA-N 357.388 4.995 0 40 FJAB CCc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCC2)cc1 1370075 XUZJWZGWBYJWQF-SFTDATJTSA-N 371.594 4.864 0 40 FJAB COc1ccc(CCN(C)[C@@H](C)C2C3CC4CC(C3)CC2C4)cc1OC 1557578 OYYPFWBWRHXFKJ-YJQWLVMKSA-N 357.538 4.639 0 40 FJAB O=C(CSc1nnc2ccc3ccccc3n12)c1cc2ccccc2o1 1924246 YOCHJUPAYPMMGF-UHFFFAOYSA-N 359.410 4.604 0 40 FJAB Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3F)n2)c(F)c1 2199172 JLEZUJJMSQYMLS-UHFFFAOYSA-N 369.709 4.569 0 40 FJAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Cl)cc3)NC(=O)CN21 2217154 PEWUMKLCFKPZCN-VDZCTEQFSA-N 366.892 4.540 0 40 FJAB COc1cccc(-c2nc(-c3ccc(-c4ccc(C)cc4)nc3OC)no2)c1 2425175 LOUCVOHIXMBBPE-UHFFFAOYSA-N 373.412 4.791 0 40 FJAB Cc1cc(C)cc(NC(=O)CSc2nccn2-c2cccc(C)c2)c1 2723023 OTLFXCZTAASDTP-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 2779971 WIPYDNMKERSFPT-UHFFFAOYSA-N 361.438 4.584 0 40 FJAB COC(C(=O)NCc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 2784933 UDNMMWOTYADENM-UHFFFAOYSA-N 365.860 4.546 0 40 FJAB Cc1ccc(SCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 2978909 SAENQSMWBJRDOB-UHFFFAOYSA-N 370.301 4.589 0 40 FJAB CCN(C[C@H](O)COc1ccccc1-c1ccccc1)C1CCCCC1 3253311 YBHHLHKOBZIVOS-NRFANRHFSA-N 353.506 4.748 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 3481165 FVYDLLXWLLEZCG-UHFFFAOYSA-N 368.658 4.899 0 40 FJAB CCC(CC)c1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 3558624 VVJDYVRZAUXYPX-UHFFFAOYSA-N 361.511 4.891 0 40 FJAB O=C(CSc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F 4088982 DXFVVJYECYIOAB-UHFFFAOYSA-N 350.365 4.918 0 40 FJAB COc1ccccc1-c1nnc(Nc2nc3ccc(SC)cc3s2)o1 4359834 BZVPCEOOMQFBBV-UHFFFAOYSA-N 370.459 4.820 0 40 FJAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(F)cc1Cl 5033924 KCDYGHPBUGHWSI-SECBINFHSA-N 350.802 4.740 0 40 FJAB CCCC(=O)N(Cc1ccccn1)c1nc2c(C)c(Cl)ccc2s1 5265446 LZICMMUZVBKCNT-UHFFFAOYSA-N 359.882 4.986 0 40 FJAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 5374115 QYPFPLXQQNVNFZ-UHFFFAOYSA-N 356.853 4.528 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCCC2)c1 6613496 IEPMTZOCDDMBFK-UHFFFAOYSA-N 352.478 4.736 0 40 FJAB COC(=O)c1ccc(OC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 6786257 RZUIXDJTZHHWJS-UHFFFAOYSA-N 358.821 4.544 0 40 FJAB O=c1[nH]c(/C(Cl)=C/c2cccnc2)nc2scc(-c3cccs3)c12 7489000 RHIIEYCQVMGUHC-GHXNOFRVSA-N 371.874 4.845 0 40 FJAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 7735653 KXUJRMVECMJPDL-OAHLLOKOSA-N 365.429 4.612 0 40 FJAB c1ccc(CNc2nnc(SCc3cc(-c4ccco4)on3)s2)cc1 8762345 QMTLNOIFMHDLFO-UHFFFAOYSA-N 370.459 4.691 0 40 FJAB COc1ccc([C@H](NC(=O)Cc2ccccc2Cl)c2ccccc2)cc1 12700273 RRGGDGNPBMIWHF-JOCHJYFZSA-N 365.860 4.797 0 40 FJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 16101119 VDRXUQSXTPLCIP-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]21 18181033 IFQFHZGZUDQILT-ZNZDAUKMSA-N 367.832 4.834 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 18702580 ABDKIXNJFJEXLK-UHFFFAOYSA-N 367.474 4.520 0 40 FJAB COC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 19945507 RXXBRSLILPZOQX-UHFFFAOYSA-N 357.837 4.577 0 40 FJAB NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 20154516 RIICWUPTFJLEQU-UHFFFAOYSA-N 353.834 4.957 0 40 FJAB COc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 21944807 AGGJIVGNMZZNOC-UHFFFAOYSA-N 369.424 4.800 0 40 FJAB Cc1nc(S[C@H](C)c2nc(C(C)C)no2)c2c3c(sc2n1)CCC3 27777619 ILDQYBWTLOTTLN-SECBINFHSA-N 360.508 4.848 0 40 FJAB CCc1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 29545789 NORUTMFOQKTIRT-UHFFFAOYSA-N 350.418 4.685 0 40 FJAB CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CNc3cccnc3)C=C2C)o1 35442763 GVMOORQLVJAWAE-BJLQDIEVSA-N 368.525 4.926 0 40 FJAB biogenic,in-vitro CCOC(=O)[C@@H](C)P(=O)(Oc1ccccc1C)Oc1ccccc1C 39138677 CCQIQGPYVKGIHQ-MRXNPFEDSA-N 362.362 4.906 0 40 FJAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 40485979 JMHCMDXPBLBLIJ-FQEVSTJZSA-N 363.388 4.780 0 40 FJAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(C2OCCO2)s1 43210413 FWYQBQZIVPVNSM-UHFFFAOYSA-N 352.411 4.817 0 40 FJAB O=C(NOCc1ccccc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 58390731 RYZCPTBKZVBOMN-IRXDYDNUSA-N 364.470 4.594 0 40 FJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 59257815 ZJGNYMRQDAQHBQ-MRXNPFEDSA-N 353.510 4.956 0 40 FJAB CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C 65322296 FEVVLOYDFQLKAZ-UHFFFAOYSA-N 370.541 4.978 0 40 FJAB CCCOc1ccc(OCC(=O)Nc2cccc(-c3nccs3)c2)cc1 65594679 VXBYWLQJPXJKHC-UHFFFAOYSA-N 368.458 4.616 0 40 FJAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1cccc(Oc2ccccc2)c1 71279165 VANRPJQWKSAKIR-KRWDZBQOSA-N 363.417 4.673 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72348669 VTNRIVKQFTWWAC-FQEVSTJZSA-N 374.459 4.831 0 40 FJAB O=C(O)c1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 73638281 RZROQDKKWLFMDI-UHFFFAOYSA-N 352.571 4.609 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(N3CCCC3)c2)cc1 83943911 NFIDFTNTLKDFAD-NRFANRHFSA-N 365.477 4.664 0 40 FJAB O=C(NCc1ccco1)c1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 95117604 XNFXSTHDMDWCSP-UHFFFAOYSA-N 364.470 4.813 0 40 FJAB COc1ccc(/C=C/c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193955 REIPPMNHTUVZHT-DHZHZOJOSA-N 374.425 4.778 0 40 FJAB CC(=O)OC/C(=C/CC/C(=C/CC/C(C)=C/CO)CO)CCC=C(C)C 110195756 GFDOSVZSTRYXMK-PCNLGICMSA-N 364.526 4.640 0 40 FJAB biogenic,in-vitro CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219317594 YOGIYVJMUWFGQQ-WOJBJXKFSA-N 367.489 4.879 0 40 FJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(Cl)c3)N21 222664817 RCOGFSMZVNJCSV-JEBQAFNWSA-N 373.909 4.723 0 40 FJAB CC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(OC)c(C)c1 223842716 KURZPOKFHXODAT-NRFANRHFSA-N 366.505 4.875 0 40 FJAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224714537 IUFVGVAJQJVWKX-INIZCTEOSA-N 353.462 4.759 0 40 FJAB CC(C)CCC[C@]1(C)Oc2c(O)cccc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257297388 RHAPBGJDXYDFHA-DWLFOUALSA-N 373.537 4.817 0 40 FJAB O=C(CCCn1cccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 604419547 JYXDUXRSBFKDMB-UHFFFAOYSA-N 350.447 4.512 0 40 FJAB Fc1ccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cc1 632728 RAKDHDLVVPSQKA-UHFFFAOYSA-N 364.327 4.678 0 40 FJAB CCOC(=O)c1cc2c(oc1=O)c(C(C)(C)C)cc1oc3c(c12)CCCC3 708645 BOZIRBIMAAGYNT-UHFFFAOYSA-N 368.429 4.892 0 40 FJAB biogenic O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1Cl 803424 VGCWTQGUDWVHSB-UHFFFAOYSA-N 350.249 4.631 0 40 FJAB CCc1ccc(NC(=O)COC(=O)/C=C/c2cccc3ccccc23)cc1 957193 WLMXYMFRAFAJMX-NTCAYCPXSA-N 359.425 4.597 0 40 FJAB COc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 2298052 IYYWAUOTOADWOH-UHFFFAOYSA-N 358.426 4.706 0 40 FJAB CC(=O)N(Cc1ccco1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 3093166 COKGSKOKSMHIHG-UHFFFAOYSA-N 368.477 4.587 0 40 FJAB COc1ccc(/C=C/C(=O)OCc2c(Cl)cccc2Cl)c(OC)c1 3255618 ASWUZDZOLKEIOY-VQHVLOKHSA-N 367.228 4.767 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)OCc1nc2ccccc2s1 3275305 ATGZMUDLLIMGCP-UHFFFAOYSA-N 352.242 4.889 0 40 FJAB Cc1ccccc1CSCC(=O)NCc1ccc(Cl)cc1Cl 3380308 RUWPDPGSBKVLKC-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB CC1(C)O[C@@H]2CC[C@@H]3[C@@H](CC[C@H]2S1)C3(Br)Br 4350126 RZTMXISELRAISC-ZYUZMQFOSA-N 370.150 4.529 0 40 FJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 4602032 OPGICXBTRJSIJG-UHFFFAOYSA-N 372.465 4.753 0 40 FJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1ccc2c(c1)OCO2 4717894 YFFANTJXDLXGOI-UVQUFPMPSA-N 368.429 4.578 0 40 FJAB CC[C@]1(C)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 4818256 ASJYSWNJAMOMBQ-JOCHJYFZSA-N 362.498 4.953 0 40 FJAB COc1cccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1OC 5169344 RBMDJAROHHFRII-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 6219488 KVUKUWDTGBKNDN-LBPRGKRZSA-N 374.412 4.803 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2)cc1 6870325 TWSFNJKUIQSLCN-UHFFFAOYSA-N 368.502 4.576 0 40 FJAB Cc1cccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1 6967371 JWFNOFLSPJMGOJ-UHFFFAOYSA-N 374.362 4.642 0 40 FJAB O=C(NCc1ccc(F)cc1)c1cc(Cl)ccc1OCc1ccccc1 7687317 VQXRQWXNYZNTTG-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cc2ccccc2)c1 7801458 ARPYAUYOUNGLKE-UHFFFAOYSA-N 359.425 4.625 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c(C)c1 8558295 NZGYDYUOZUYPNM-LBPRGKRZSA-N 366.230 4.611 0 40 FJAB O=C(CSc1ccc2ccccc2n1)N1CCC[C@@H]1c1cccs1 8707735 QVFDBMWINZLKCT-MRXNPFEDSA-N 354.500 4.752 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2C(C)C)c1 9190134 NSCKXXLFXUWHII-UHFFFAOYSA-N 351.475 4.809 0 40 FJAB Cc1ccccc1CS[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 9367879 LDSWRYWOFOVQEW-CQSZACIVSA-N 351.479 4.500 0 40 FJAB CC(C)Oc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1 10254443 RJACQCFBCAKYMY-UHFFFAOYSA-N 366.461 4.727 0 40 FJAB COc1cccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)c1 11866050 FEIXSWKBXWMDIN-UHFFFAOYSA-N 372.421 4.527 0 40 FJAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3F)cc2)CC1 12559031 NSUVMXSXJKMNEZ-HNNXBMFYSA-N 373.447 4.640 0 40 FJAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(Oc2ccccc2)cc1 12616642 CNMVGYPNEJXMKI-UHFFFAOYSA-N 369.424 4.976 0 40 FJAB COc1ccc(-n2c(SCc3c(C)noc3C)nc3ccccc32)cc1 12622220 ZITNYKKZWBDKAC-UHFFFAOYSA-N 365.458 4.931 0 40 FJAB CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)c1nc2ccccc2s1 12795340 ZUXFJGVMXSSZDD-LBPRGKRZSA-N 360.866 4.770 0 40 FJAB O=C(CCSCc1csc(-c2ccco2)n1)Nc1ccccc1F 12929858 DZTFLHSHZJBHSW-UHFFFAOYSA-N 362.451 4.804 0 40 FJAB COc1ccc(NC(=O)c2ccccc2SCc2cccs2)cn1 15658648 TWCBLKNZHRREFM-UHFFFAOYSA-N 356.472 4.696 0 40 FJAB CSCc1nc2ccccc2n1CC(=O)Nc1c(C)cc(C)cc1Cl 15704818 KBFKZLJHCJXELP-UHFFFAOYSA-N 373.909 4.808 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1cc(OC)ccc1Br 15960634 HFDWYVRXSFNPQS-UHFFFAOYSA-N 362.267 4.835 0 40 FJAB COc1cc(NC(=S)Nc2ccc(C(C)C)cc2)cc(OC)c1OC 16213336 OXNXQLMIBVELMT-UHFFFAOYSA-N 360.479 4.645 0 40 FJAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1C 16311962 NBWGLDUTMWYXAP-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)c3cc(C)sc3C)sc2c1 16488875 GZOAWTBGBQCVTQ-UHFFFAOYSA-N 358.488 4.885 0 40 FJAB Cc1ccc(Cn2nc(C)c(CNCc3cccc(Cl)c3)c2C)cc1 17310546 DDDWPJAIFWYIFJ-UHFFFAOYSA-N 353.897 4.800 0 40 FJAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2Cl)on1 19120957 BPXXDSDSCUOYGU-QGZVFWFLSA-N 356.857 4.754 0 40 FJAB Cc1ccc(-c2nnc(N(CC(C)C)C(=O)Cc3cccs3)s2)cc1 19213019 LRKOKJDPWGHFPL-UHFFFAOYSA-N 371.531 4.807 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 20455528 JMCYPXIXMHEVDA-FQEVSTJZSA-N 369.461 4.748 0 40 FJAB O=C(Nc1cccc(-c2nnco2)c1)c1cccc(Oc2ccccc2)c1 24743946 DIFUKBAXYKKSOM-UHFFFAOYSA-N 357.369 4.781 0 40 FJAB COc1ccc2nc(S[C@@H](C)c3nc(-c4cccs4)no3)[nH]c2c1 26008258 MNFCYRZCZZBXBX-VIFPVBQESA-N 358.448 4.536 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2cccc3c4c([nH]c23)CC[C@@H](C)C4)cc1 32632845 DRTLJJHWAPRZHJ-CYBMUJFWSA-N 361.445 4.503 0 40 FJAB CN(C)c1ccc(NC(=O)CSCc2cccs2)c(C(F)(F)F)c1 33177057 ZDYRZJDNBAIYGP-UHFFFAOYSA-N 374.453 4.705 0 40 FJAB O=C(Nc1nc(SCc2ccccc2)ns1)Nc1ccccc1F 35313616 VVSJKFXJKOMYFS-UHFFFAOYSA-N 360.439 4.614 0 40 FJAB CSc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36360914 YMOQMRPQQZUVLI-CQSZACIVSA-N 359.520 4.979 0 40 FJAB FC(F)(F)c1cnc(NCc2ccccc2Cn2cccn2)c(Cl)c1 40018076 UZNZFBSPQUBTJC-UHFFFAOYSA-N 366.774 4.611 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(OC)cc1 44904436 ZGZAGMDJJLNAPF-HRAATJIYSA-N 363.457 4.883 0 40 FJAB C[C@@H](c1cccs1)N(C)C(=O)COc1ccc(Cl)c2cccnc12 48291332 ICXRWZGCBKZOQU-LBPRGKRZSA-N 360.866 4.548 0 40 FJAB CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(N(C)C)nc1 58147403 JZISJDDPGAKBPD-UHFFFAOYSA-N 358.461 4.511 0 40 FJAB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c(OC)c1 59294180 KMBVRIYUMLROTJ-UHFFFAOYSA-N 374.868 4.600 0 40 FJAB Cc1ncc(-c2ccc(NC(=O)c3cccn3Cc3cccs3)cc2)o1 70856544 INHVOVJVKGBQLN-UHFFFAOYSA-N 363.442 4.814 0 40 FJAB Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@@H](C)c1ccccc1 71326500 MLBGVRACNPDQDQ-HNNXBMFYSA-N 365.502 4.597 0 40 FJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72348987 WAWCCUQNMUPCPW-HXUWFJFHSA-N 374.459 4.836 0 40 FJAB Cc1nn(C)c(C)c1NC(=O)CCCc1cn(C(C)C)c2ccccc12 72405764 XOACSFIRAJCCRR-UHFFFAOYSA-N 352.482 4.534 0 40 FJAB C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1ccoc1 75104611 RXVQNMNUHJWWAV-SNVBAGLBSA-N 350.205 4.645 0 40 FJAB OC1=Nc2c(cnn2-c2ccc(Cl)cc2F)[C@@H](C(F)(F)F)SC1 79501325 SXCDIOCCEDBUTG-NSHDSACASA-N 365.739 4.603 0 40 FJAB CCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 84718688 VAFHJIXYMBNSOE-UHFFFAOYSA-N 356.491 4.698 0 40 FJAB CC(C)Cn1cc(NC(=O)CCc2cccc(Cl)c2)c(C(F)F)n1 89856700 BKRRTZXLVQAPJI-UHFFFAOYSA-N 355.816 4.701 0 40 FJAB Cc1nc(CNc2nc(-c3ccccc3)nc3ccccc23)ccc1[C@H](C)O 95455220 GXEDYZBLDBYENF-INIZCTEOSA-N 370.456 4.666 0 40 FJAB Cc1noc(-c2ccccc2)c1C(=O)Nc1cc(CC2CCCCC2)n[nH]1 96013685 DXIIDRQYQCRHCE-UHFFFAOYSA-N 364.449 4.748 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 216449016 DEVVUCXACVWGEC-KSSFIOAISA-N 361.869 4.774 0 40 FJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219317812 UXHGARIBDQPSMP-PMACEKPBSA-N 367.489 4.879 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1cccc(C)c1 222981627 FOTBJFVKHYPZQI-OAQYLSRUSA-N 371.546 4.819 0 40 FJAB COc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1 225995228 FOJKBBJNLXZBOC-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408627144 KTDZQODISROTEU-UHFFFAOYSA-N 372.799 4.794 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 408628687 VYKFWURLZZAPAK-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB Cc1ccc(-c2cccnc2)cc1NC(=O)NC[C@@H]1CCC2(CCCC2)O1 654058991 UTNZWWTWNAHMAO-IBGZPJMESA-N 365.477 4.670 0 40 FJAB CSc1ccc(Cl)c(C(=O)Nc2cccc(C3OCCCO3)c2)c1 717301 BUGBTYJIIFCGDE-UHFFFAOYSA-N 363.866 4.750 0 40 FJAB CCc1ccc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C)n3n2)cc1 1517085 JEWJGNHMIVTYTB-UHFFFAOYSA-N 374.419 4.659 0 40 FJAB Cc1cc(Nc2cccc(C(F)(F)F)c2)n/c(=N\Cc2ccccc2)[nH]1 2312442 RUKILQLRHUKCHY-UHFFFAOYSA-N 358.367 4.581 0 40 FJAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 2325103 RIJGVYUROODIJV-UHFFFAOYSA-N 371.308 4.653 0 40 FJAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C)(C)C 2889611 BDTQWZZLNGVSNX-UHFFFAOYSA-N 351.855 4.840 0 40 FJAB Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1C1CC1 3408936 AGSACVYRKYTTLR-UHFFFAOYSA-N 366.230 4.603 0 40 FJAB Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CN1CCC(c3ccccc3)CC1)O2 3824861 OFJJFTDZPRQPBY-DEOSSOPVSA-N 364.533 4.767 0 40 FJAB investigational Cc1ccc2[nH]c(SCc3nc4ccccn4c3Br)nc2c1 4150388 HJVKRZCKBSSQQK-UHFFFAOYSA-N 373.279 4.574 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 4681432 FEWXWYQVKZFSNP-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(Br)c1 4749196 MNXMKQVCIFXHAU-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 6027108 YMBHFEVOYVQFJR-UHFFFAOYSA-N 353.425 4.569 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1 6326748 MYWOFWJBEBPBDU-UHFFFAOYSA-N 358.850 4.982 0 40 FJAB CCOC(=O)N[C@@H](CC(=O)Nc1ccccc1C(C)C)c1ccccc1 6349947 VXDCVFSPEVALSY-IBGZPJMESA-N 354.450 4.626 0 40 FJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)cc1 6406222 UYNLVOSJBODTBL-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB c1ccc(CCSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 6531684 RYCXEZKLLMRMFC-UHFFFAOYSA-N 372.497 4.723 0 40 FJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(Nc3ccccc3)s2)cc1 6830883 MWZWWKSNRLZJPX-ZDUSSCGKSA-N 355.488 4.954 0 40 FJAB Fc1ccccc1-c1nnc(SC[C@@H]2CC2(Cl)Cl)n1C1CC1 7047593 PCIIGOMXWSVYHQ-VIFPVBQESA-N 358.269 4.705 0 40 FJAB Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1C 7739303 CVIJORPYAFZMMJ-OAQYLSRUSA-N 351.471 4.650 0 40 FJAB O=C(CCCc1nc2ccccc2s1)N[C@H]1CCCc2ccccc21 7777933 FWPRDGAMKJBSJU-KRWDZBQOSA-N 350.487 4.813 0 40 FJAB CCCCOc1ccc(OCc2ccc(S(=O)(=O)CCC)cc2)cc1 8040428 JORCSIGNAUCPEM-UHFFFAOYSA-N 362.491 4.628 0 40 FJAB COc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)N3N=NNC3=N2)cc1 9013568 HSMULJIJZRRZDE-OAHLLOKOSA-N 374.231 4.641 0 40 FJAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H](C)c2cccs2)c1Cl 9458940 YQBKOPXJRBMNEK-NSHDSACASA-N 357.306 4.995 0 40 FJAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Cl 9462397 QPZJNISWZBUAOG-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)c1nc2ccccc2c(=O)[nH]1 10840356 AKTNHBZNNUXDSC-LLVKDONJSA-N 367.405 4.571 0 40 FJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(F)c(F)c(F)c1F 12814916 CFBKRUDYVCSOKR-UHFFFAOYSA-N 369.648 4.750 0 40 FJAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1F 14651908 XUHGVNLENJGBBD-UHFFFAOYSA-N 352.203 4.629 0 40 FJAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 15739637 AMQYNFSIWSTJOF-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB Cc1nc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cs1 15831892 XYNXHBJXAGOODF-UHFFFAOYSA-N 369.515 4.635 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1 20494737 JBCBMCOUOJRZGP-OAQYLSRUSA-N 355.478 4.594 0 40 FJAB Brc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 22852716 KHPXBRWXMRTKRV-OAHLLOKOSA-N 370.294 4.705 0 40 FJAB COc1ccc(OC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 23227903 VEVICDFYWPWBLP-UHFFFAOYSA-N 359.834 4.620 0 40 FJAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N1CCc2sccc2C1 27467054 SRGSHVRFYCZFRT-LBPRGKRZSA-N 374.556 4.689 0 40 FJAB C[C@@H](OC(=O)c1cc2cc(Cl)ccc2[nH]1)c1nnc(-c2cccs2)o1 29024548 YGHFHRWEJLJPHJ-SECBINFHSA-N 373.821 4.851 0 40 FJAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)Cc2cccs2)c1 31528865 VMDSPOMLDJHGQS-UHFFFAOYSA-N 363.482 4.868 0 40 FJAB FC(F)(F)c1ccccc1-c1nnc(CSc2nccn2C2CC2)o1 31850561 VEMFKYPIANSRAR-UHFFFAOYSA-N 366.368 4.579 0 40 FJAB Cc1ccn2c(NC(=O)Cc3ccccc3C)c(-c3ccccc3)nc2c1 32721470 HWUFEZKTCNBHCD-UHFFFAOYSA-N 355.441 4.799 0 40 FJAB CC(C)OCc1ccccc1CNC(=O)c1ccc(Cl)cc1Cl 32787397 PBNATBKUUAPNSI-UHFFFAOYSA-N 352.261 4.848 0 40 FJAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1 36367210 LJGPIQOVHYBVSL-UHFFFAOYSA-N 373.412 4.971 0 40 FJAB Cc1ccc(NC(=O)COc2ccccc2CN[C@@H](C)C(C)(C)C)cc1C 36612653 RGNBHVKMVKCAOJ-SFHVURJKSA-N 368.521 4.845 0 40 FJAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccccc1C(F)(F)F 40268528 MUQSXGSDXPRQRQ-UHFFFAOYSA-N 352.743 4.952 0 40 FJAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCCCCCC1 49950293 KVKOCSLRSHUXPL-UHFFFAOYSA-N 358.507 4.990 0 40 FJAB CC[C@H](NC(=O)N1CCC[C@H]1c1ccccn1)c1ccccc1OC(C)C 58210335 CHPJKWQOQNZWNV-ICSRJNTNSA-N 367.493 4.867 0 40 FJAB COc1ccc(-c2nc(Cc3n[nH]c(-c4ccccc4)n3)sc2C)cc1 76020630 ILOBSIMZKWTMJD-UHFFFAOYSA-N 362.458 4.503 0 40 FJAB Cc1csc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 78815126 WNKYOLPBZLPKML-UHFFFAOYSA-N 374.513 4.936 0 40 FJAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@H]1Cc1ccccc1 84061834 XJYHHCVEJMZOAG-FQEVSTJZSA-N 360.457 4.887 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620335 CALUKDBBYZKASQ-GOSISDBHSA-N 371.820 4.579 0 40 FJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223105914 SIDIDQSVGVDDNE-VQTJNVASSA-N 368.550 4.769 0 40 FJAB Cc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223439828 JIPGMHZPKDUHII-QGZVFWFLSA-N 371.546 4.968 0 40 FJAB O=C(NCCSC1CCCC1)c1ccccc1OCc1ccccc1 223928428 TVGULAPQHFQIAK-UHFFFAOYSA-N 355.503 4.671 0 40 FJAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(Cl)cc1 224340192 FUEJRBYNQLHASY-UHFFFAOYSA-N 353.809 4.791 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224620324 NUTTXFFALFMPIJ-JOCHJYFZSA-N 360.457 4.777 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(F)cc3)s2)cc1 224970338 CRCURVIBNWJQKV-UHFFFAOYSA-N 373.478 4.525 0 40 FJAB Cc1cccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)c1 225353240 DYVQKANWIHYBSE-UHFFFAOYSA-N 350.289 4.983 0 40 FJAB FC(F)(F)c1cc(NC(=S)NCCCc2ccco2)ccc1Cl 225804788 JISIMEOEZYBMKN-UHFFFAOYSA-N 362.804 4.871 0 40 FJAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 225847994 UXXVLXJYGXVIOM-UHFFFAOYSA-N 369.461 4.621 0 40 FJAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257293659 QQPLWEATVMAAQS-LJQANCHMSA-N 368.383 4.521 0 40 FJAB CSc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409005058 DBIHOXOEJJPVIW-LGMDPLHJSA-N 355.484 4.688 0 40 FJAB O=C(Cc1nsc2ccccc12)N1CCC[C@@H]1c1cccc(Cl)c1 1596544729 BTANIRMMKVZJPB-QGZVFWFLSA-N 356.878 4.856 0 40 FJAB Cc1ccc([S@](=O)c2ccccc2C2=N[C@H](c3ccccc3)CO2)cc1 1988182069 DAFPBDIGMMUDMU-FNZWTVRRSA-N 361.466 4.680 0 40 FJAB CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 950671 YFISFZOBOUACGN-UHFFFAOYSA-N 354.358 4.683 0 40 FJAB CCN(CC)c1ncnc2scc(-c3ccc(Br)cc3)c12 1000349 HZBLEXSTOCUMNF-UHFFFAOYSA-N 362.296 4.967 0 40 FJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc[nH]2)C(C#N)=C(S)S1 1073896 LLVYDKNHEDPRRK-QGZVFWFLSA-N 368.483 4.527 0 40 FJAB O=Cc1cc(Br)cc(Br)c1OCc1ccccc1 1410689 AACUFLFOQQDBBB-UHFFFAOYSA-N 370.040 4.603 0 40 FJAB CC[C@@H](c1cccc(Br)c1)[C@H](C(=O)O)c1ccc(OC)cc1 1609000 DUKFXBHKTLPGGV-DLBZAZTESA-N 363.251 4.820 0 40 FJAB CC(=O)c1cccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c1 3334769 XAOASLHUSMPFLU-UHFFFAOYSA-N 359.491 4.937 0 40 FJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 4742012 SCMGMDAXEIATPD-OAQYLSRUSA-N 369.424 4.651 0 40 FJAB CCN(CC)CCN(C(=O)c1ccc(C)cc1)c1nc2ccccc2s1 5239761 PZWVIEMZCWEUHL-UHFFFAOYSA-N 367.518 4.593 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2 6097888 UFGURQIYJSOXLQ-GJZGRUSLSA-N 372.538 4.637 0 40 FJAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(Cl)c1 6743452 MEIOKEGJSIDVRZ-UHFFFAOYSA-N 369.896 4.587 0 40 FJAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(Cl)c(O)c(Cl)c1 6997401 KOVIVLQGELFERZ-UHFFFAOYSA-N 365.043 4.936 0 40 FJAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(OC)c2)cc1 7884519 SOGCAPJLIRPZCZ-JOCHJYFZSA-N 374.440 4.734 0 40 FJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 7912859 HMVMCZBZBVQMKK-UHFFFAOYSA-N 373.408 4.684 0 40 FJAB COc1ccc(C)cc1NC(=O)c1ccccc1OCc1csc(C)n1 7920263 GFRBXEGAIOGEDC-UHFFFAOYSA-N 368.458 4.600 0 40 FJAB CCN(CC)C(=O)[C@@H](Sc1nc2cc(C)ccc2[nH]1)c1ccccc1 7927928 PSCIGXDYGSWTAQ-SFHVURJKSA-N 353.491 4.573 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccnc1 7987129 QVOQNLLEVZFPLM-OAHLLOKOSA-N 371.415 4.927 0 40 FJAB O=C(Cc1cccs1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 7989586 AFFXKVFPIAJCMF-UHFFFAOYSA-N 365.483 4.957 0 40 FJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(C)C 8041637 BYPWASHBKGUNPW-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc2cccnc12 9226391 ZLLXEPFZDFTABH-UHFFFAOYSA-N 371.234 4.567 0 40 FJAB Cc1cc(C)cc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 10213741 WBZVVKSPGZMTDO-UHFFFAOYSA-N 360.465 4.576 0 40 FJAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)cc1 11917270 WDIRJLMHWHERNY-FQEVSTJZSA-N 374.912 4.552 0 40 FJAB CCc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccc4nccnc4c3)C2)cc1 12420951 XTQOBSGDDJGGFN-QFIPXVFZSA-N 372.472 4.526 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccco2)n1 12886851 AXXNBPGCTLCVIG-ZDUSSCGKSA-N 366.442 4.911 0 40 FJAB C[C@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cc(F)ccc1F 12997277 QDNXSCPPJLPWLD-KGLIPLIRSA-N 354.400 4.796 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc2c(c1)CCC2 14140111 SETAMPMKJZHOSU-UHFFFAOYSA-N 366.442 4.643 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cccc2cccnc12 14202172 VZPHQPGIXPNNJE-UHFFFAOYSA-N 370.456 4.609 0 40 FJAB CC[C@H]1CCc2sc(C(=O)N3CCN(c4cccc(C)c4)CC3)cc2C1 16280756 AAUMRAKHCZWBSK-KRWDZBQOSA-N 368.546 4.534 0 40 FJAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(Nc3ccc(F)cc3)ncc21 17208707 FDFHLDTWEWITSK-CYBMUJFWSA-N 367.811 4.925 0 40 FJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1Cl 22524729 JHXRIKNJGKTVAJ-INIZCTEOSA-N 359.897 4.980 0 40 FJAB C[C@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc(-n2ccnc2)cc1 23080760 BEKJRBAMNBXYDF-BJRSVTDJSA-N 367.452 4.916 0 40 FJAB Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1 27663722 BPTQOTLPZCKXBR-HXUWFJFHSA-N 356.897 4.605 0 40 FJAB O=C(Nc1ccccn1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29520298 WAWJRBWHEKKYNQ-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 32636422 LZBGRZCUNIVANL-GFCCVEGCSA-N 373.861 4.589 0 40 FJAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Br)c1O 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0 40 FJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(C)c(C)c1 102202784 ILQRVJBOWNMLDM-UTKZUKDTSA-N 368.502 4.637 0 40 FJAB Cc1ccccc1[C@H]1CC2=Nc3ncnn3[C@H](c3ccccc3F)C2=C(O)C1 102614278 KVTBMWMQZFXXBB-LHSJRXKWSA-N 374.419 4.791 0 40 FJAB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102660489 CKJQQOPCWXDMRU-DYESRHJHSA-N 356.429 4.652 0 40 FJAB COc1cccc2cc(-c3nnc(-c4ccccc4Cl)o3)c(C)nc12 216609458 LEPCKVGUPPQNJJ-UHFFFAOYSA-N 351.793 4.922 0 40 FJAB Cc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1C 219450683 VJMOQWOUJCRYHV-UHFFFAOYSA-N 358.441 4.836 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC(C)C)c1ccccc1 219562474 YOFNBBUZAFGAJP-MOPGFXCFSA-N 355.478 4.756 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)ccc1Cl 223657522 VCYHTAWHCWTGFH-LBPRGKRZSA-N 371.786 4.751 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(C)c1 225351863 YCAVBWROLIEXJD-MJGOQNOKSA-N 355.478 4.655 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226254391 MFSBPSVAGPEUDT-UHFFFAOYSA-N 351.494 4.809 0 40 FJAB CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226326068 WTGIVPSPYXQRFL-UHFFFAOYSA-N 369.642 4.858 0 40 FJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(Cl)(Cl)Cl 408626934 JNVCUCRIFGVCHI-UHFFFAOYSA-N 368.651 4.847 0 40 FJAB CCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 409008889 OWTLKMYYJFBSHB-SXGWCWSVSA-N 362.212 4.737 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)cc1 1615528848 DBFSDJUGXQVLNY-SFTDATJTSA-N 366.480 4.796 0 40 FJAB CCOC(=O)c1ccccc1NCn1c(=S)oc2ccc(Cl)cc21 1030939 FOOAZAWHIBTXHA-UHFFFAOYSA-N 362.838 4.863 0 40 FJAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(Oc2ccccc2)n1 1382163 KGABMIQTKNXAAH-UHFFFAOYSA-N 353.443 4.632 0 40 FJAB O=C(CSCc1ccccc1)Nc1cccc(C(=O)c2ccccc2)c1 1428439 UHCTYUCDFBXVQR-UHFFFAOYSA-N 361.466 4.790 0 40 FJAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1923192 JDTGZHVFMAWMHQ-GUOLPTJISA-N 364.228 4.577 0 40 FJAB COc1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 4173434 APPCUBGBFIQXLC-UHFFFAOYSA-N 359.259 4.926 0 40 FJAB O=C(CCc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 4659890 OPTYRMSMHNKLHK-UHFFFAOYSA-N 362.404 4.649 0 40 FJAB Cc1ccc(C(=O)COC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 6204246 QLFITVNLBCIBFQ-UHFFFAOYSA-N 374.436 4.922 0 40 FJAB c1csc(Cc2nnc(SCc3nc4ccccc4o3)n2C2CC2)c1 7844450 OIHIFVVACIAMGS-UHFFFAOYSA-N 368.487 4.699 0 40 FJAB Clc1cccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1 8992449 PEXVSPJTUXKVIQ-UHFFFAOYSA-N 351.822 4.655 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120123 JPIHYOHPXOMBQX-UHFFFAOYSA-N 372.424 4.745 0 40 FJAB CCCOc1cc(Nc2ccc(NC(=O)c3cccs3)cc2)nc(C)n1 12225601 ZRLODTGULLBHAC-UHFFFAOYSA-N 368.462 4.631 0 40 FJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(F)cc1F 12775264 AWHUCDJVSRKHLJ-UHFFFAOYSA-N 370.380 4.765 0 40 FJAB Cc1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1C 12877612 LPXYXAXJAZJRBE-UHFFFAOYSA-N 360.860 4.699 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 13710830 NJIQFSMNPMKHLM-IBGZPJMESA-N 359.469 4.977 0 40 FJAB COc1cc(C(=O)Nc2ccccc2C(C)=O)cc(Cl)c1OC(C)C 14378844 WZVLHJHOJAJYSZ-UHFFFAOYSA-N 361.825 4.591 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(C)c1 14582004 WBBZZBLDPKFZHW-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 15305765 LQSQWWZMOYFUQI-NSHDSACASA-N 366.280 4.577 0 40 FJAB C[C@H](NCc1ccc(OCc2cccs2)cc1)[C@H](O)c1ccccc1 22076413 AHZFATVSQZPAEZ-KKSFZXQISA-N 353.487 4.539 0 40 FJAB COCC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)s1 22845301 WFWKHYPVZAGTNF-UHFFFAOYSA-N 352.459 4.679 0 40 FJAB O=C(CNc1ccc(F)c(F)c1F)Nc1ccccc1-c1ccccc1 22907187 GHCRFRAPUDRHPV-UHFFFAOYSA-N 356.347 4.822 0 40 FJAB CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O 27638708 CTQQHQGBBMYJPT-VPQYJMPFSA-N 364.526 4.916 0 40 FJAB O=C(CCCc1nc(-c2cccs2)no1)Oc1ccc2ccccc2c1 31665293 MLFSFXQALMZJSU-UHFFFAOYSA-N 364.426 4.880 0 40 FJAB Cc1cc(C)c2c(n1)oc1c(=O)n(Cc3ccc(Cl)cc3Cl)cnc12 32094779 KYXYMTZDPFOFGR-UHFFFAOYSA-N 374.227 4.510 0 40 FJAB O=C(CCCc1ccccc1)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32647736 OAUKUEALJXPBLK-UHFFFAOYSA-N 371.843 4.685 0 40 FJAB CCN1C/C(=C/c2cccc(C)c2)c2nc3ccccc3c(C(=O)O)c2C1 33744052 DVZHBPQQXUJZQF-ATVHPVEESA-N 358.441 4.618 0 40 FJAB CC(=O)Nc1cc(NCc2ncc(-c3ccc(Cl)cc3)o2)ccc1F 40061259 FQNUQBGNRUJSSP-UHFFFAOYSA-N 359.788 4.705 0 40 FJAB COc1ccc(-c2nn3c(N4C[C@@H](C)C[C@@H](C)C4)cc(C)nc3c2C)cc1 40216871 YUSDHRSEXKWHHT-GASCZTMLSA-N 364.493 4.504 0 40 FJAB COc1cccc(-c2cc3c(SCc4ccccc4F)nccn3n2)c1 57510828 ZNHDOQBWGZHHJA-UHFFFAOYSA-N 365.433 4.836 0 40 FJAB COCCOc1cccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 58378445 IOSDTHTUVHCNBN-KRWDZBQOSA-N 362.495 4.682 0 40 FJAB O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 58648599 CIRJFTVVFPGDHC-GFCCVEGCSA-N 351.155 4.553 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72348605 OHIWNBFLSLHFNK-SFHVURJKSA-N 360.432 4.908 0 40 FJAB N=c1oc2ccccc2cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 72408171 QLWYJKNPWWJFGC-UHFFFAOYSA-N 356.381 4.957 0 40 FJAB Cc1cc2[nH]c(-c3ccc(I)cc3)nc2cc1Cl 73638962 CHNNQEWSBAVWRQ-UHFFFAOYSA-N 368.605 4.796 0 40 FJAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccc(F)cc1 85397504 OGRPFAFOCLEIHP-UHFFFAOYSA-N 357.406 4.623 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc2c(c1)CCCC2 223105329 BEASLJVHPYJZDH-OXQOHEQNSA-N 367.489 4.609 0 40 FJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)cc1F 223876077 PVJCSZOWMUNGPZ-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1 223957012 VHIGLJJFTIAYKP-UWJYYQICSA-N 351.490 4.909 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)c1cccc(OC)c1 226096976 TUTHQAUJWPPSCV-UHFFFAOYSA-N 362.267 4.835 0 40 FJAB CCOc1cccc2c1O[C@](C)(CCCC(C)C)[C@H]1CC3(CNC3)CO[C@H]21 257251055 JPFMKNJVISOKRR-CZTZKLFOSA-N 373.537 4.730 0 40 FJAB Fc1ccc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 306131066 JVOPSZFPJJXMQS-NRFANRHFSA-N 372.447 4.873 0 40 FJAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1 408806175 AZUWNTOMZYLQKM-UHFFFAOYSA-N 373.885 4.810 0 40 FJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc2ncsc2c1 675007891 ZTAKFUFUDMQXNA-AWEZNQCLSA-N 354.456 4.513 0 40 FJAB O=C(Oc1ccc2ccccc2c1)c1cccc(I)c1 682223 MVIGAJZZSWLWFW-UHFFFAOYSA-N 374.177 4.664 0 40 FJAB Cc1nc(N2CCC(Cc3ccccc3)CC2)c2c3c(sc2n1)CCC3 707025 QBWMXJVRDCHJCE-UHFFFAOYSA-N 363.530 4.948 0 40 FJAB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 1509218 NCNUVJIPUYBZQA-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB O=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1699256 INGKDDWHNWSVEQ-CTNGQTDRSA-N 355.393 4.548 0 40 FJAB CC(C)COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 2213261 HLNBBYYVLUWFFS-UHFFFAOYSA-N 352.478 4.964 0 40 FJAB Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)N3N=NNC3=N2)cc1 2232763 LFZAXLWMDJBCGA-HNNXBMFYSA-N 362.195 4.772 0 40 FJAB CCN(CC)c1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 2413724 ADZXNWJEOATSNN-KRWDZBQOSA-N 351.541 4.501 0 40 FJAB CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccc(Cl)cc1 4274938 UZQFIWFZGMNLKT-UHFFFAOYSA-N 369.881 4.558 0 40 FJAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccccc3)s2)cc1Cl 4513372 BMXOHGGRMLGYMK-UHFFFAOYSA-N 371.893 4.746 0 40 FJAB COc1cc(CNCc2cccs2)ccc1OCc1ccccc1C 5019838 RZYOBUCHXUWTTF-UHFFFAOYSA-N 353.487 4.934 0 40 FJAB CCc1ccc2c(c1)C(C)(C)[C@]1(C)N(Cc3ccc(Cl)cc3)C(=O)CN21 5478455 QRKUKEPUHYSGSJ-QFIPXVFZSA-N 368.908 4.759 0 40 FJAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 5560194 YMGBCPHVDRTRBU-ZDUSSCGKSA-N 362.267 4.726 0 40 FJAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)c1 6507762 AQBNIWFKVDDVPP-UHFFFAOYSA-N 360.442 4.557 0 40 FJAB O=S(=O)(Nc1ccc(Cl)cc1F)c1c(Cl)cccc1Cl 6510003 OVHJQPYVVKDSEV-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc3c(c2)CCC3)s1 7718410 JBGDRYSYUZQIFE-UHFFFAOYSA-N 366.461 4.928 0 40 FJAB Fc1ccc(-c2cnc(SCc3nnc(-c4cccs4)o3)o2)cc1 10715143 SSVHIAAWUZMLJD-UHFFFAOYSA-N 359.407 4.885 0 40 FJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCc2sccc2C1 12216131 UCDVTVAMUOLFRC-UHFFFAOYSA-N 360.438 4.755 0 40 FJAB CC[C@@H](C)NC(=O)c1cccnc1Sc1ccc(Br)cc1 12926949 LYIQEJLEALKVCN-LLVKDONJSA-N 365.296 4.524 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3Cl)ccc2c1 12980588 DOSGCOHRAHGLQM-CQSZACIVSA-N 353.849 4.922 0 40 FJAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 13616566 JMCMVWPJYWPECF-GCJKJVERSA-N 374.465 4.809 0 40 FJAB CCOc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 15825340 ULSDSVZAZXTWIZ-UHFFFAOYSA-N 359.495 4.518 0 40 FJAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(OC)c(Cl)c2)cc1 16689865 OBTZTOAKPHGDQJ-UHFFFAOYSA-N 373.840 4.588 0 40 FJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cccc(F)c1 17178193 RRGSHAXBMSIJCE-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB O=C(c1ccncc1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19336653 GIXSQMGHHXGAJS-LJQANCHMSA-N 365.408 4.633 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C)cc1 20039517 QYXUJTJVBJDXHY-OAQYLSRUSA-N 363.457 4.501 0 40 FJAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1ccccc1Cl 23127265 SQERKVJIJRIQER-UHFFFAOYSA-N 366.804 4.600 0 40 FJAB O=C(Nc1ccccc1Cc1ccccc1)c1cccnc1N1CCCC1 24630984 XFUMVYQPRNAZLV-UHFFFAOYSA-N 357.457 4.525 0 40 FJAB Clc1ccccc1OCCCn1c(CN2CCCC2)nc2ccccc21 27789166 PUXKIMQXEXLZEN-UHFFFAOYSA-N 369.896 4.755 0 40 FJAB O=C1CCCc2cc(-c3csc(NCCc4ccccc4)n3)ccc2N1 30446927 DTSXSRSOBVBPNA-UHFFFAOYSA-N 363.486 4.740 0 40 FJAB Cn1ccnc1[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ccccc1 30643129 QSUCXCHOADMUSM-QHCPKHFHSA-N 353.469 4.966 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1C 30848042 PRQQYKDUQFNJAE-IBGZPJMESA-N 369.505 4.607 0 40 FJAB CCCc1sc(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)cc1CC 31304812 ROKPOTPPFMZSPR-CYBMUJFWSA-N 358.507 4.712 0 40 FJAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC 32114835 KUNUVWVIFWPJLY-UHFFFAOYSA-N 360.841 4.730 0 40 FJAB CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccsc2)cc1 32722740 IDVKEPXYMSKANQ-UHFFFAOYSA-N 364.514 4.867 0 40 FJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2c(s1)CCCCC2 33137054 VHDLYPHJKKLZOB-UHFFFAOYSA-N 365.458 4.852 0 40 FJAB Cc1nn(C)c2c1[C@@H](c1ccc(-c3ccccc3F)o1)SCC(O)=N2 49546059 KWTCYDRYEPILJU-QGZVFWFLSA-N 357.410 4.552 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Br)ccc1Cl 64982323 CCLMNQUGCYHPRP-NSHDSACASA-N 368.658 4.817 0 40 FJAB COc1ccc(C(C)=O)cc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67339269 AHDYSROLSQGLQL-VMPITWQZSA-N 369.804 4.949 0 40 FJAB OC1=Nc2c(cnn2-c2ccc(Cl)cc2F)[C@H](C(F)(F)F)SC1 79501323 SXCDIOCCEDBUTG-LLVKDONJSA-N 365.739 4.603 0 40 FJAB Cc1nc(-c2ccc(CCNCc3c(F)cccc3F)s2)cs1 84275078 XSAQTEROOSQWKU-UHFFFAOYSA-N 350.459 4.791 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1C 89643219 HAEMGRDLIJWGTP-LJQANCHMSA-N 362.477 4.658 0 40 FJAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1Cl 96121597 DYVZSAJCMPFBRM-UHFFFAOYSA-N 371.893 4.572 0 40 FJAB CCOC1(OCC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1CC=C[C@@H]12 104107486 KGFLNQYTPLJOAL-FQPOAREZSA-N 358.092 4.620 0 40 FJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1 113970193 JTXYTIFCVYYORN-NHCUHLMSSA-N 355.478 4.683 0 40 FJAB Brc1ccc(-c2cccc(I)c2)cc1 118201244 VXZCZCODBREKPY-UHFFFAOYSA-N 359.004 4.721 0 40 FJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccc(F)cc1Cl 215262660 KKXDWEUJXQVXQS-VIZOYTHASA-N 365.788 4.855 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 219591648 XSORQGZAHKEZJF-JOCHJYFZSA-N 369.505 4.689 0 40 FJAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccccc3F)s2)cc1 224949625 GJUXQLOXVSSBGX-UHFFFAOYSA-N 373.478 4.525 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3SC(C)C)ccc21 225112685 FMVMTNGSZYELJA-UHFFFAOYSA-N 372.515 4.836 0 40 FJAB CCc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 225287803 IFYWLUHIEVRRBO-UHFFFAOYSA-N 350.940 4.981 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1 225769773 SBNHTMWKKYWPJO-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB COc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1OC 225849874 AAGZOJSSVVTGAV-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB O=C(CSc1ccc(F)cc1)NCc1nc(C2CCCCC2)cs1 390830005 IBPPVXDCUUQEQR-UHFFFAOYSA-N 364.511 4.738 0 40 FJAB Cc1c(CSC(C)C)cccc1NCc1ncnn1-c1ccccc1 579299835 HVSVQDWPGMCHBR-UHFFFAOYSA-N 352.507 4.829 0 40 FJAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 585265464 MOWSEEJKNGQRRB-UHFFFAOYSA-N 369.461 4.977 0 40 FJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1cc2ccccc2s1 1775966900 NFBBITZWAQMYLC-ZDUSSCGKSA-N 369.467 4.686 0 40 FJAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OCC)cc3)c2c1 952829 NXXDUUXHMDLGPK-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB CCN(CC)C(=O)CSc1nc2ccccc2cc1Cc1ccccc1 1339875 CULRYJBHAUIRHG-UHFFFAOYSA-N 364.514 4.786 0 40 FJAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2122921 VBWSDVVTSABVNZ-UHFFFAOYSA-N 361.441 4.645 0 40 FJAB biogenic Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F 2699074 KOOVOBTZSGBODC-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB Cc1ccc(NC(=O)CSc2nccc(-c3ccc(Cl)cc3)n2)cc1 2806346 QSPJKDRSUHTIHC-UHFFFAOYSA-N 369.877 4.836 0 40 FJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3ccccc3)CN12 4086974 ZJWNQSNCOZVELZ-AUSIDOKSSA-N 350.421 4.859 0 40 FJAB biogenic CC(C)CC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 4122838 APLUTGHEGVOFHM-UHFFFAOYSA-N 369.515 4.822 0 40 FJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)cc1 4939615 FFXSMVWJBYTDTL-NFBKMPQASA-N 362.473 4.824 0 40 FJAB Cn1ccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1 5336039 HICMUWYFFIHGNV-UHFFFAOYSA-N 363.461 4.549 0 40 FJAB COc1cccc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 6216517 RVXUSNZIYSKACD-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1C 6316219 AENJVOCTCKQMIW-ZHACJKMWSA-N 364.470 4.670 0 40 FJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(Br)cc1F 6377233 QXUKPTYWLIITRU-UHFFFAOYSA-N 360.585 4.562 0 40 FJAB O=C(CSc1ccccc1F)NC(c1ccccc1)c1ccccc1 6404699 DPNGWHKWESFXJH-UHFFFAOYSA-N 351.446 4.824 0 40 FJAB CCn1c([C@H](NC(=O)c2cccs2)c2ccccc2)nc2ccccc21 6658930 BZKXHHVIEIFRGO-LJQANCHMSA-N 361.470 4.637 0 40 FJAB COC(=O)c1ccccc1NC(=O)Cc1coc2ccc(C(C)C)cc12 6809867 XRWZRWYBLNEZTK-UHFFFAOYSA-N 351.402 4.524 0 40 FJAB CC[C@H]1CCc2sc(C(=O)OCC(=O)c3cc(C)ccc3C)cc2C1 6875589 DYKHLTLKVIEZNJ-HNNXBMFYSA-N 356.487 4.920 0 40 FJAB COc1ccc(NC(=O)c2ccc(CN[C@H](C)c3ccccc3)cc2)cc1 8324800 OYQJCUUPLQJADO-QGZVFWFLSA-N 360.457 4.798 0 40 FJAB CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 8654026 JBTGFPJGXMYCIA-FUHWJXTLSA-N 361.489 4.911 0 40 FJAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccccc1OC(F)F 8748133 NBZSCLFXQNBABP-JTQLQIEISA-N 364.373 4.549 0 40 FJAB Cc1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)n1-c1ccccc1 9368941 GIWYWOAMEIZHHP-NSHDSACASA-N 369.475 4.541 0 40 FJAB Clc1cccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)c1 12274160 LMTFHGKRYNFIPG-MDZDMXLPSA-N 352.850 4.600 0 40 FJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(C)C)cc4)no3)CC2=O)cc1 12416180 GFOFBXXGISRDRK-SFHVURJKSA-N 361.445 4.689 0 40 FJAB Cc1ccn2cc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)nc2c1 12550059 HFSRTDXAAPHBAK-UHFFFAOYSA-N 368.487 4.697 0 40 FJAB Cc1ccnc(N(C(=O)c2sccc2C)C(=O)c2sccc2C)c1 12589007 LTIHCRGXWFRIIU-UHFFFAOYSA-N 356.472 4.617 0 40 FJAB O=C(Cn1c(-c2ccco2)nc2ccccc21)Nc1ccccc1Cl 12604353 UEJJVHTYYDKPLU-UHFFFAOYSA-N 351.793 4.588 0 40 FJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 12605254 LLNGVXQEJYWUBV-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB CCc1nc(CSc2nc3ccccc3c(=O)n2[C@H](C)CC)cs1 13010846 DTIRUWRARBQMFL-GFCCVEGCSA-N 359.520 4.679 0 40 FJAB CCc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 16961615 RMEGCZFDBVQTMP-UHFFFAOYSA-N 369.468 4.828 0 40 FJAB Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccc(C(F)(F)F)cc2)OC1=O 25266158 DMDGIGHHLKLLMI-YVLHZVERSA-N 370.330 4.840 0 40 FJAB CSc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222438 HYLKUCDLKLDKIU-OAQYLSRUSA-N 363.530 4.821 0 40 FJAB CN(CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCc2ccccc21 29483805 NWNLBXIHYPINLX-QHCPKHFHSA-N 356.469 4.911 0 40 FJAB CC(C)c1nnc(NC(=O)c2cccc(OCc3cccs3)c2)s1 30597510 BEDISEJTTMEGDL-UHFFFAOYSA-N 359.476 4.554 0 40 FJAB Cc1occc1C(=O)Nc1cc(NC(=O)CCC2CCCC2)ccc1F 36395902 GXKVKHXIZQSNPV-UHFFFAOYSA-N 358.413 4.888 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cc(C)ccc2C)cc1 38756852 FRHYTBGYNDUWKC-FQEVSTJZSA-N 355.478 4.594 0 40 FJAB CSc1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 39763174 FPLVCRRDQVEWDY-UHFFFAOYSA-N 354.519 4.568 0 40 FJAB CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CCc2ccccc21 40049903 QFIXLLPQKINZPN-QGZVFWFLSA-N 373.378 4.875 0 40 FJAB CC(=O)NCCc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1 40090478 JHQDHCVXYDBKNV-UHFFFAOYSA-N 366.505 4.864 0 40 FJAB C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1F 40141125 NKDYZEGJQBAZCL-CQSZACIVSA-N 370.449 4.591 0 40 FJAB O=C(NCc1cccs1)c1[nH]c2ccc(Br)cc2c1Cl 40144244 WLTMRSQEJDHRES-UHFFFAOYSA-N 369.671 4.575 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960901 TYEAWFLDVZKJKN-OVCLIPMQSA-N 360.388 4.730 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 72193637 AOVGXQJEQYODQG-UHFFFAOYSA-N 372.896 4.902 0 40 FJAB O=C(Nc1ccc2[nH]c(=S)oc2c1)c1c[nH]nc1-c1ccc(Cl)cc1 79111967 RCZKVRXZHFSLAG-UHFFFAOYSA-N 370.821 4.786 0 40 FJAB CC(C)(C)C(=O)Nc1nnc(C(c2ccccc2)c2ccccc2)s1 95116291 AAEDUOCONSEAKW-UHFFFAOYSA-N 351.475 4.703 0 40 FJAB C[C@]12CC[C@H]3[C@@H](C=C[C@@]45C[C@@H](O)CC[C@]34C5)[C@@H]1CC[C@@H]2O[C@H]1CCCCO1 118936529 YUSLPTILBDKHTK-WIKDVRPQSA-N 372.549 4.832 0 40 FJAB CCOc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219467948 MFSUPVYHLGDRMR-UHFFFAOYSA-N 374.440 4.618 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 219529332 KOCNNWMZKGPQCC-GOSISDBHSA-N 373.452 4.940 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)n1cc(C(=O)OC)c2ccccc21 222621341 RCKLPMIUYZSVFT-IBGZPJMESA-N 365.429 4.543 0 40 FJAB COC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222682005 BGTALGGDIMCJCR-UHFFFAOYSA-N 363.866 4.638 0 40 FJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 222780694 HJEWLDXTVKEVSD-WOJBJXKFSA-N 368.550 4.607 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 223053603 VLOZMOIUUBNMRD-OPAMFIHVSA-N 367.489 4.609 0 40 FJAB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223198748 OSZWLRVGCIVEOZ-HNNXBMFYSA-N 357.881 4.865 0 40 FJAB Cc1ccc(CSCC(=O)NCCOc2ccccc2C(C)C)cc1 223746330 ONPFXHGMOVQGRZ-UHFFFAOYSA-N 357.519 4.547 0 40 FJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(Cl)cc1 224283355 RDAHTUHMOODBTA-HNNXBMFYSA-N 353.849 4.619 0 40 FJAB COCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 224402576 MXIYWQKOLCKAMS-UHFFFAOYSA-N 363.413 4.886 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 224680067 ZQQUTOSUIQJLGO-RBUKOAKNSA-N 369.505 4.778 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1 225309684 IJDLVUPQQZOQGA-SFHVURJKSA-N 357.881 5.000 0 40 FJAB CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1 225485896 RPMVLWWJYKWVEA-IBGZPJMESA-N 367.518 4.560 0 40 FJAB CCc1cc(Br)cc(CC)c1NC(=O)COc1ccccc1 226092097 NFRTWYCJSFAQBV-UHFFFAOYSA-N 362.267 4.591 0 40 FJAB CC(=O)Nc1ccccc1SCC(=O)Nc1cc(Cl)ccc1Cl 409180766 VKIXYOHGKMERMF-UHFFFAOYSA-N 369.273 4.683 0 40 FJAB Cc1ccc2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)sc2c1 683168 AZGKTURJHUOLJF-UHFFFAOYSA-N 360.504 4.703 0 40 FJAB Cc1cc(C)nc(Nc2nc(-c3ccc(Br)cc3)cs2)n1 983702 ZQDIQQXTSQUGAC-UHFFFAOYSA-N 361.268 4.723 0 40 FJAB Cc1ccc2cccc(OC(=O)c3cccnc3Oc3ccccc3)c2n1 1036342 KGWLFURPQJWMLM-UHFFFAOYSA-N 356.381 4.950 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 1213026 OJXVAOKMXYGESR-VUWOVVPOSA-N 374.267 4.785 0 40 FJAB CC(C)CN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 1369510 MFAPWULZOWUBMC-QZTJIDSGSA-N 365.974 4.668 0 40 FJAB Cc1ccccc1Cc1nnc2sc(-c3cccc4ccccc34)nn12 2182912 DFXPCGYAJPRMJC-UHFFFAOYSA-N 356.454 4.905 0 40 FJAB Cc1cccc(-c2noc(COc3ccc(Br)cc3C)n2)c1 2375883 SOPKHBNVTVESHJ-UHFFFAOYSA-N 359.223 4.695 0 40 FJAB COc1ccccc1[C@@H](C)Nc1nc(-c2cccnc2)nc2ccccc12 3363087 JOWBNAKWTXECKY-OAHLLOKOSA-N 356.429 4.874 0 40 FJAB O=C(c1cccs1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273249 HMZBVYWGXWUZNZ-UHFFFAOYSA-N 369.446 4.739 0 40 FJAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(C)C 4341987 XSLJVYVKZAATQB-UHFFFAOYSA-N 366.417 4.678 0 40 FJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCc2ccccc21 4388874 AHOAXXRTPZAATQ-UHFFFAOYSA-N 358.466 4.954 0 40 FJAB aggregator CCOC(=O)/C=C(/Nc1cc2c(C)c(C)n(C)c2cc1C)C(F)(F)F 4623401 CYLCXWNJCLWLPK-CXUHLZMHSA-N 354.372 4.525 0 40 FJAB CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(C(C)=O)cc1 4813595 XSRBMKIIJKQSCD-KRWDZBQOSA-N 354.431 4.540 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccccc1 4854163 AVDRRUIRNKJKTN-LJQANCHMSA-N 351.837 4.779 0 40 FJAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1C(C)(C)C 5382978 GYPGQSKFTLTBHQ-QGZVFWFLSA-N 361.898 4.923 0 40 FJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1Br 6034025 DJSCSEAEYKIOQQ-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB COc1ccc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)c(OC)c1 6738160 SLJNPRBRTOGDLY-UHFFFAOYSA-N 362.385 4.559 0 40 FJAB COCc1c(C(=O)Nc2cccc(C(C)=O)c2)sc2cccc(F)c12 6789199 ZXFMUPXKRWZXIG-UHFFFAOYSA-N 357.406 4.642 0 40 FJAB CCCCn1nc(C)c(C(=O)N[C@H]2CCSc3ccccc32)c1Cl 6852793 WOKLSVDRHXFREV-AWEZNQCLSA-N 363.914 4.612 0 40 FJAB COC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1 7781273 QQHKNWFEJALKHT-ACCUITESSA-N 364.422 4.821 0 40 FJAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1 8359904 KPJICQGJJWTFMX-AWEZNQCLSA-N 363.442 4.685 0 40 FJAB COc1ccc(-c2nc(Nc3ccc4c(c3)OCCO4)sc2C)cc1 8392260 HQMRHEQVYBXVKM-UHFFFAOYSA-N 354.431 4.642 0 40 FJAB O=C(Cc1ccc(Cl)cc1)NCCSCc1ccccc1Cl 10331681 NZNSQVRXIHNRHN-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB CC(C)N(C(=O)CNc1ccccc1N1CCCCC1)c1ccccc1 11168148 VOBRPKNKAKYYJY-UHFFFAOYSA-N 351.494 4.530 0 40 FJAB COc1cc(NC(=O)c2sc3sccc3c2Cl)cc(OC)c1 12790176 PYWXYMGCBBPVJZ-UHFFFAOYSA-N 353.852 4.886 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1C 13668594 NDGCBLGDZHTHLA-UHFFFAOYSA-N 353.462 4.866 0 40 FJAB Cc1cc(C)c(NC(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)c(C)c1 14021431 RMZYARUOUDSNDI-UHFFFAOYSA-N 354.538 4.699 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)c1ncc(Cl)c(Cl)c1Cl 14909984 JDXSFYCEQCYHHJ-JTQLQIEISA-N 357.668 4.793 0 40 FJAB COc1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 15629116 DHIDLSUHYFZVFN-UHFFFAOYSA-N 356.425 4.951 0 40 FJAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)CCC1CCCC1 19574244 UCCKONUZCKTTNG-ZDUSSCGKSA-N 367.415 4.530 0 40 FJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141981 WYRZSPVDTKEHCR-OAHLLOKOSA-N 365.429 4.869 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c1 22509306 RYJMPJXNYMCTGV-IBGZPJMESA-N 369.461 4.585 0 40 FJAB O=C(CNc1cc(Cl)ccc1Sc1ccccc1)NCc1ccco1 24838838 LTKYANVENCDALK-UHFFFAOYSA-N 372.877 4.813 0 40 FJAB Clc1ccc(-c2n[nH]c(SCCOc3ccccc3Cl)n2)cc1 28807314 ULJDZJHLFBKDDC-UHFFFAOYSA-N 366.273 4.950 0 40 FJAB CC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 29011173 WYSGDFZWHGIUMV-UHFFFAOYSA-N 361.825 4.962 0 40 FJAB CCN1C(=O)c2ccccc2N[C@@H]1c1cc2cccc(C)c2nc1Cl 30543321 ALKUDFVGBQWXFN-IBGZPJMESA-N 351.837 4.783 0 40 FJAB COC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 31335149 KGNMJTTWJVTRJV-NSHDSACASA-N 366.244 4.613 0 40 FJAB CC(=O)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 43568833 CUIMNYABMHHSNX-UHFFFAOYSA-N 354.353 4.597 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357587 WITLXMOOEVEKHR-JOCHJYFZSA-N 360.432 4.789 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2coc(-c3ccccc3)n2)c1 78797565 SBYWTOUYRSOIPU-UHFFFAOYSA-N 350.418 4.526 0 40 FJAB O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1)N1CCCCC1 96308888 GVGKJNZXCGGJJL-WOJBJXKFSA-N 354.519 4.639 0 40 FJAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ncc(Cl)cc1Cl 97050201 JTYSTZDVZNYJCH-VIFPVBQESA-N 364.681 4.718 0 40 FJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCCCC5)(C4)C2)C3)cc1 102361246 YQXIYOFJMVCQDO-YUOVDFJASA-N 353.506 4.546 0 40 FJAB CC(C)Oc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211509694 BWIHFCDRMWKZIP-BOPFTXTBSA-N 355.415 4.833 0 40 FJAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 223046193 RAMRTFUAIOZCEX-SFHVURJKSA-N 350.506 4.726 0 40 FJAB COc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1F 223386865 OWWHLDMTAVGELE-AWEZNQCLSA-N 359.441 4.766 0 40 FJAB CC1CCN(Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)CC1 223584403 CBOSXDVKCXIUEI-UHFFFAOYSA-N 364.533 4.670 0 40 FJAB O=C(OCc1ccc(Cl)c(Cl)c1)c1snnc1-c1ccccc1 223834085 TYTNWIOBLGLLGJ-UHFFFAOYSA-N 365.241 4.869 0 40 FJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)c1 224288677 GXQRXSVZTRRFNQ-RTBURBONSA-N 365.527 4.937 0 40 FJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)NC1CCCCC1 225756342 OCCUKXDUEGPJIZ-UHFFFAOYSA-N 356.441 4.537 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1 226311914 CPBUYZJOQSJQQN-UHFFFAOYSA-N 369.490 4.636 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1[C@H](C)CCC[C@H]1C 226330367 WLDRYEIACHYWAP-HUUCEWRRSA-N 355.457 4.736 0 40 FJAB Cc1ccc([C@@H]2OCCC[C@H]2c2nc(-c3cc[nH]c4nccc3-4)no2)cc1 562785523 GBLCLLLCVYUELT-MSOLQXFVSA-N 360.417 4.508 0 40 FJAB Cc1cccc(-c2cccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2)c1 1264125925 GISLDIJDOFNZGD-UHFFFAOYSA-N 358.441 4.616 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C 692890 JNKLJDJPNYSAHH-UHFFFAOYSA-N 354.233 4.642 0 40 FJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccccc2NC(=O)C(C)(C)C)C1 784712 DSGVJZPKVYXGQJ-IVZQSRNASA-N 356.510 4.712 0 40 FJAB COc1cc2ncnc(NCc3ccc(Cl)cc3Cl)c2cc1OC 1386811 DYUNENVMQKQKOJ-UHFFFAOYSA-N 364.232 4.566 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 2465892 NOAVQVJGTRNRFC-LLVKDONJSA-N 362.857 4.740 0 40 FJAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3262430 QHKXFHCHZMQDJY-AWEZNQCLSA-N 367.426 4.724 0 40 FJAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Cl)cc1Cl)n2C 4058817 KSJSXITZYUANBK-KNTRCKAVSA-N 351.258 4.596 0 40 FJAB Cc1ccccc1C1=N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)O1 4714057 CCRLICDWGNNOBX-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB Cc1ccnc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 6044997 VSRSDZVZEMYSJQ-UHFFFAOYSA-N 372.468 4.658 0 40 FJAB O=C(NCCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383044 FINDWNZXDPQFPT-UHFFFAOYSA-N 363.844 4.544 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1COc2ccccc2C1 8843820 XIJWEMQCRALZIW-NSHDSACASA-N 355.743 4.549 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(Nc4ccc5c(c4)OCCCO5)c23)C1 9466285 ZFECMZLTWCZFFK-LBPRGKRZSA-N 367.474 4.721 0 40 FJAB CCOc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12791313 RURLTSZHZKDCNN-UHFFFAOYSA-N 373.412 4.783 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 13494897 ZLTJNGDZBZXTJX-UHFFFAOYSA-N 369.852 4.618 0 40 FJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(Cc1ccccc1)C3 13734039 TZVWUDKIJUGAPK-UHFFFAOYSA-N 369.420 4.812 0 40 FJAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1-c1ccccc1 14021765 HQFFBWSPWJKLSY-UHFFFAOYSA-N 360.413 4.573 0 40 FJAB CCOc1ccccc1NC(=O)c1cccc(OCc2csc(C)n2)c1 14185698 HVNCMMJNBZNFTO-UHFFFAOYSA-N 368.458 4.682 0 40 FJAB COc1ccccc1[C@H](C)NCc1ccc(C(=O)Nc2ccccc2)cc1 14250689 JZIILRGFTADVDO-KRWDZBQOSA-N 360.457 4.798 0 40 FJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 15330564 LXXUPPWZHUWGQC-SNVBAGLBSA-N 354.631 4.509 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 15707329 XBRUFSVIOLKMEP-SFHVURJKSA-N 373.452 4.940 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(OC)cc1 20459467 RNZOJGPHWUCCOU-GOSISDBHSA-N 363.910 4.849 0 40 FJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC)c1ccc(OC)cc1 20488127 VALVIKCDFCVMLI-PMACEKPBSA-N 355.478 4.737 0 40 FJAB c1ccc([C@@H]2CN[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 23956884 CKQGMZMTPNSSTE-FDDCHVKYSA-N 368.436 4.721 0 40 FJAB Cc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(C)s3)CC2)c(C)c1 24453196 TZOVGEMXQYYQJG-VQHVLOKHSA-N 367.514 4.808 0 40 FJAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)CCC1CCCCC1 27922438 OAFIHVAJYLIWQV-UHFFFAOYSA-N 357.473 4.986 0 40 FJAB COc1cc(CN(C)Cc2coc(-c3ccccc3)n2)ccc1OC(F)F 32753386 ZWRWUJAXLGXPIC-UHFFFAOYSA-N 374.387 4.584 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 32754462 CXUYULCMGGMVRU-CYBMUJFWSA-N 372.852 4.726 0 40 FJAB Fc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1 36802475 QJTAUZLEFTUEJY-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB CCOc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44838013 KUBDLCMYJAQMMQ-UHFFFAOYSA-N 357.413 4.881 0 40 FJAB c1ccc(CN2CCN(c3ccc(NCc4cccs4)cc3)CC2)cc1 57211582 GKEBFAJNWNVGQL-UHFFFAOYSA-N 363.530 4.682 0 40 FJAB O=C(c1cc(Br)cs1)N1CCC(c2cccs2)CC1 96120596 JCMNFDVOZOEUFK-UHFFFAOYSA-N 356.310 4.592 0 40 FJAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C)cc1C 222725484 AQVWGOKWCHZFQL-QFIPXVFZSA-N 351.490 4.829 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccco2)c1 223133144 VJWIKCQARRPYRL-MRXNPFEDSA-N 361.507 4.528 0 40 FJAB CCc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 224290946 KXTSKCUKXXFLBH-UHFFFAOYSA-N 352.369 4.614 0 40 FJAB COCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 224398738 OIYZCKYTFUKWOK-UHFFFAOYSA-N 363.413 4.886 0 40 FJAB CCOc1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225430875 HSDAEOXIHFIMCO-UHFFFAOYSA-N 354.397 4.591 0 40 FJAB COc1cc(C)c(C(=O)NCCSc2ccc(C)cc2)cc1C(C)C 225656553 SMUHDAPNXDNNNI-UHFFFAOYSA-N 357.519 4.958 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(F)c(F)c1 225678794 HMVWVCJHNZKKHS-INIZCTEOSA-N 362.445 4.862 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1ccc(F)cc1 225781471 YPOKJJOVFGENEU-UHFFFAOYSA-N 355.438 4.721 0 40 FJAB Nc1ccc(C(=O)Nc2cccc(Oc3ccc(N)cc3Cl)c2)cc1 255189977 UDTXHDWXOJRIIU-UHFFFAOYSA-N 353.809 4.549 0 40 FJAB COc1cccc(-c2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)c1 257307915 TURBVJZZTWMRSB-QHCPKHFHSA-N 359.473 4.879 0 40 FJAB COc1cc2c(cc1OC)[C@@H](NC(=O)Nc1cccc3ccccc13)CC2 524734175 FPGMKVMWLKICDG-IBGZPJMESA-N 362.429 4.666 0 40 FJAB CSCC[C@@H](C(=O)Nc1cccc2c1ccn2C(C)C)n1cccc1 575443266 PHSUUXUDKNHPMS-IBGZPJMESA-N 355.507 4.957 0 40 FJAB CC(C)c1noc(-c2ccnc(NC3CCC(C(F)(F)F)CC3)c2)n1 663372826 HZELXPXVLXNJTM-UHFFFAOYSA-N 354.376 4.788 0 40 FJAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccccc1Cl 1775971054 CVSWBGHDFVXZQX-UHFFFAOYSA-N 351.638 4.723 0 40 FJAB CC(C)SCc1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 1776111101 ZGMZLURZBMMNRS-UHFFFAOYSA-N 358.414 4.513 0 40 FJAB Cc1cc(=O)oc2cc(Oc3ncnc4sc5c(c34)CCCC5)ccc12 942664 BQQGOEVWBZEJHZ-UHFFFAOYSA-N 364.426 4.777 0 40 FJAB CCc1ccc(OCC(=O)Nc2cccc(C)c2C)c(Br)c1 1003737 IPFRGMOQNSALOI-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccnc1Cl 1249111 CGEJTTZTSWKRCX-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB Cc1nc(SCC(=O)OC2CCCCC2)c2c(C)c(C)sc2n1 1333014 CODRRRAUFXADLP-UHFFFAOYSA-N 350.509 4.585 0 40 FJAB CCCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721498 RSXBMOGVGAZYSS-UHFFFAOYSA-N 369.896 4.852 0 40 FJAB C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCCC1 3206348 WGTOLGDFKAMFSC-GUYCJALGSA-N 363.914 4.749 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4650960 RMSLGCYKMYECDQ-OTQYAVNOSA-N 361.913 4.828 0 40 FJAB Cc1ccc(/C=C(/C(=O)NCCC(C)C)c2nc3ccccc3[nH]2)s1 6579852 POIBXFVGYSLASP-FOWTUZBSSA-N 353.491 4.636 0 40 FJAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1cccc(Cl)c1 7909711 VFJLLCNTNJUGKD-INIZCTEOSA-N 371.893 4.725 0 40 FJAB Cc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(C)c1 10507610 XIGOWEPYOUPRID-UHFFFAOYSA-N 372.472 4.687 0 40 FJAB CCCc1ccc([C@@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 12811972 VNIURFOFPCZPCW-LJQANCHMSA-N 363.490 4.648 0 40 FJAB COc1cc(OC)c(NC(=O)c2csc(-c3ccccc3)n2)cc1Cl 12818281 QTYFXBBJXHFYEQ-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 13098521 BITXMAYQYBLCDX-WIYYLYMNSA-N 362.454 4.999 0 40 FJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 13671235 JWBUJFYHDYZQDC-LBPRGKRZSA-N 363.866 4.636 0 40 FJAB O=C(C[C@H]1C=CCC1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 14198932 NCJYNQRXSZUQAT-SFHVURJKSA-N 357.457 4.512 0 40 FJAB CCc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258380 FUVZYRCCKFTNCU-UHFFFAOYSA-N 357.759 4.939 0 40 FJAB COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c2cccnc12 15840661 LWFDYIXANMYSGY-UHFFFAOYSA-N 370.836 4.531 0 40 FJAB Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c(C)c1 16780789 BMJRCDLYKBZUHW-UHFFFAOYSA-N 358.485 4.944 0 40 FJAB Cc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 16807816 JWMVFBDQSXMXOH-UHFFFAOYSA-N 351.431 4.780 0 40 FJAB Cc1ccc(Cl)cc1-n1ncc2c(N[C@@H](C)c3ccccc3)ncnc21 17121534 GLSFAGYVFYYVPW-AWEZNQCLSA-N 363.852 4.950 0 40 FJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cc3c(nc4sccn43)s2)c1 21006906 YCOLQQPZRVSOMF-UHFFFAOYSA-N 371.487 4.866 0 40 FJAB COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2Cl)cc1 22072381 KHLRGGLFIJBRJV-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB O=C(Nc1cccc(Cl)c1F)c1cccnc1SCC(F)(F)F 22884522 RPDILMZXALBCLK-UHFFFAOYSA-N 364.751 4.781 0 40 FJAB CCOc1cc2c(cc1/C=C/C(=O)Nc1c(C)cc(C)cc1C)O[C@@H](C)C2 24021443 MAKNDTXQAFWXIW-OZSKJFCKSA-N 365.473 4.986 0 40 FJAB Cc1sc2ncnc(NC[C@@H](c3cccs3)N3CCCC3)c2c1C 24153168 FPUKWWIGZYYORY-AWEZNQCLSA-N 358.536 4.619 0 40 FJAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)cc1 24431848 POJGLXXCWKRIIJ-FQEVSTJZSA-N 352.409 4.826 0 40 FJAB Cc1noc(C)c1CN(C(=O)c1ccc2ccccc2n1)c1ccccc1 25884149 WDUQNLBSVWUBTR-UHFFFAOYSA-N 357.413 4.687 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc2ccccc2c1 27925919 ADMDSGBRPMJSJB-UHFFFAOYSA-N 370.456 4.964 0 40 FJAB FC(F)(F)c1ccnc(Sc2ncc(-c3ccccc3)n2C2CC2)n1 29521153 CIXUHJDLEZTLSY-UHFFFAOYSA-N 362.380 4.845 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 30752360 BEEQGOVMJNUSIB-HOTGVXAUSA-N 373.518 4.679 0 40 FJAB CCCCC1CCC(c2nc(NC(=O)COc3ccccc3)no2)CC1 32624189 BQGAVSUKELIVAJ-UHFFFAOYSA-N 357.454 4.551 0 40 FJAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)on2)cc1 32912179 XKRXSZNUQABRQV-UHFFFAOYSA-N 362.216 4.791 0 40 FJAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(-c3ccccc3)cs2)cc1 32922120 DWMJIXYYTIEQAH-CQSZACIVSA-N 365.454 4.801 0 40 FJAB C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 32937586 UTOBTYHFJCTTSQ-KRWDZBQOSA-N 370.452 4.969 0 40 FJAB CC[C@H](C)c1ccc(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 32963891 DDQQYSWTNYNHHJ-LAUBAEHRSA-N 366.505 4.902 0 40 FJAB c1ccc2c(c1)N[C@@H](c1ccncc1)N1CCc3c([nH]c4ccccc34)[C@@H]21 34087035 GRDHSQQRRZWWRP-DHIUTWEWSA-N 352.441 4.635 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 39742822 ZTHQRQLBPQFKGT-UHFFFAOYSA-N 358.485 4.999 0 40 FJAB C[C@H](c1ccccc1Cl)N(CC(=O)Nc1ccc(F)c(F)c1)C1CC1 40149515 LRQBFYXPOOVHHM-GFCCVEGCSA-N 364.823 4.782 0 40 FJAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 45036488 MRLGGPAKNUZADQ-WQVCFCJDSA-N 370.415 4.581 0 40 FJAB CC(C)[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 57529533 LKOPIZBVRYUGLP-PMACEKPBSA-N 356.897 4.647 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 59289030 SPQVVXUXPXWIEX-UHFFFAOYSA-N 354.631 4.754 0 40 FJAB COc1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339980 CJLYVTIOTMJDOH-BQYQJAHWSA-N 357.793 4.755 0 40 FJAB FC(F)(F)CN1CC[C@@H](NCc2ccc(-c3ccccc3Cl)s2)C1 71845392 IWIXRIYSHBHQPW-GFCCVEGCSA-N 374.859 4.795 0 40 FJAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 72331194 XDJRORDRIAWIHC-UHFFFAOYSA-N 350.506 4.563 0 40 FJAB O=C(C1CCCC1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359648 YSFMBEBBWACEMS-UHFFFAOYSA-N 369.896 4.693 0 40 FJAB CCc1ccc([C@@H]2CCCCCN2C(=O)CCn2ccnc2C(C)C)o1 73903032 OVVMERRSMMHQJE-SFHVURJKSA-N 357.498 4.696 0 40 FJAB O=C(c1ccc(OC(F)(F)F)cc1)N(CC(F)F)c1ccccc1F 79071880 MERAJWMGYQZUSS-UHFFFAOYSA-N 363.257 4.636 0 40 FJAB COc1ccc2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)[nH]c2c1 211080650 SOFSGNDLWXBONN-KRWDZBQOSA-N 366.436 4.726 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220218 BVAQTBXTHYENAF-VGSWGCGISA-N 351.490 4.827 0 40 FJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Cl)c1 224956669 MIQGQXDECAASIO-UHFFFAOYSA-N 374.868 4.521 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1snnc1-c1cccs1 225788759 IBWSMHFZKWSSKF-UHFFFAOYSA-N 355.366 4.538 0 40 FJAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2)cc1 227146487 OSTLAGYLMCMZON-UHFFFAOYSA-N 352.821 4.850 0 40 FJAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cnccn1 408735680 VBEWGWRHMXQNJA-UHFFFAOYSA-N 371.512 4.892 0 40 FJAB CCCCCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 409211998 LFCJTOOSSGAUNP-WQLSENKSSA-N 360.262 4.926 0 40 FJAB CC[C@@H](C)n1c(C(F)(F)F)nc2cc(NCc3cnc(C)o3)ccc21 628298746 PMMFYJPLBCXJQF-SNVBAGLBSA-N 352.360 4.935 0 40 FJAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1cc2ccccc2s1 1775968975 QCQGCUIVJCUJSD-AWEZNQCLSA-N 369.467 4.686 0 40 FJAB O=C(Nc1cccc(F)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 633012 PBGZYKBLWNVLAY-UHFFFAOYSA-N 357.388 4.931 0 40 FJAB COc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 682421 JQYLZCSZVNNSPB-INIZCTEOSA-N 359.425 4.668 0 40 FJAB CCc1c(C)sc(NC(=O)/C=C/c2cccs2)c1C(=O)OC(C)C 688940 LZHNSRWDZOLGLD-CMDGGOBGSA-N 363.504 4.898 0 40 FJAB CC[C@]1(C)Oc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2O1 719251 LWTUDLBZLIAJMX-QGZVFWFLSA-N 353.752 4.768 0 40 FJAB Cc1cc(Nc2ccccc2C(=O)O)c2cc(Br)ccc2n1 1278265 OKVWCQLPQVNNEU-UHFFFAOYSA-N 357.207 4.748 0 40 FJAB COc1ccccc1Cn1c(-c2ccccc2)nc2nc3ccccc3nc21 2253589 APTVLUMRANFLDT-UHFFFAOYSA-N 366.424 4.703 0 40 FJAB CCOc1ccccc1C(=O)Nc1nn(CC)c2nc3c(C)cccc3cc12 2416615 IBXFWHPPHQIONU-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB CCc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 2443970 NGWPYAKZOXHCHU-UHFFFAOYSA-N 361.441 4.509 0 40 FJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4731461 LJTNRKKZITZCCZ-FQEVSTJZSA-N 361.445 4.585 0 40 FJAB COc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CC[C@@H](C)C4)c1 4749067 GYTXAPZKDUPMDR-CQSZACIVSA-N 364.441 4.814 0 40 FJAB O=C1[C@@]2(CCC[C@]13N=NC[C@H]3c1ccccc1)N=NC[C@H]2c1ccccc1 5554865 GJFCAYFWCNOHCA-BLKABHOGSA-N 358.445 4.716 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCC4)cc1 6112396 AVVITKVTFURAAK-LBPRGKRZSA-N 369.515 4.608 0 40 FJAB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1 6284869 DSKVUXBVLONUFV-KRWDZBQOSA-N 352.478 4.515 0 40 FJAB CC(=O)c1cccc(OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 6880864 XKMYHDCOUVMSKB-UHFFFAOYSA-N 361.397 4.699 0 40 FJAB O=C(O)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 7092817 HTBBRTZJVUAYCG-XWCIJXRUSA-N 370.246 4.974 0 40 FJAB Cc1c(Cl)cccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 7539040 LTTCKIHOPUZZRH-UHFFFAOYSA-N 355.821 4.927 0 40 FJAB Cc1cc(C)cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 8491250 SYVRWIPELJFEOX-KRWDZBQOSA-N 366.486 4.739 0 40 FJAB Fc1ccc(-c2noc(CSc3ccccc3Br)n2)cc1 8542370 ZFQAQDMVUPTXBF-UHFFFAOYSA-N 365.227 4.931 0 40 FJAB C[C@H]1CCc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2C1 8586752 WQLCRUHUSOHVMO-ZDUSSCGKSA-N 358.507 4.583 0 40 FJAB O=C(/C=C/c1c(F)cccc1Cl)N1CCc2[nH]c3ccccc3c2C1 9902178 CVADUIMDDIFOKG-CMDGGOBGSA-N 354.812 4.559 0 40 FJAB CCOC(=O)c1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1C 10442154 WABQTVRHQFTKBL-UHFFFAOYSA-N 371.502 4.660 0 40 FJAB COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OC(C)C 12991140 UGGORSSGPCFTCY-UHFFFAOYSA-N 368.458 4.858 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1 14424929 BHXOQHRNYONMFB-SNVBAGLBSA-N 354.233 4.502 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 14796212 IMSFUWJNCBEUIW-HNNXBMFYSA-N 352.478 4.765 0 40 FJAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccc(F)c(F)c3)c2C)cc1 17315469 HOXQBHUEGFBXLZ-HNNXBMFYSA-N 369.459 4.986 0 40 FJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(N(C)C)cc1 17335455 DMTODSSXZKBVJW-UHFFFAOYSA-N 355.438 4.576 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 20049228 SNGZMXSMZIDRRS-ROUUACIJSA-N 355.478 4.655 0 40 FJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(OC)ccc1OC 20485659 IUAODSHDGPODFB-FQEVSTJZSA-N 365.429 4.653 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1 20493099 NBUPCNBRCJFIPD-LJQANCHMSA-N 353.849 4.967 0 40 FJAB Fc1ccccc1-c1ccc(CNC[C@H](c2ccco2)N2CCCC2)o1 22935284 VGCUQQDPHMDYCV-LJQANCHMSA-N 354.425 4.605 0 40 FJAB CCOc1ccccc1-c1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)o1 24046914 XCLFGBVIJIVHLY-LLVKDONJSA-N 374.466 4.669 0 40 FJAB Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 24751916 FLKAPWDSCNCIDG-UHFFFAOYSA-N 373.758 4.607 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1 32971034 CSIAHKSEDKJVOR-UHFFFAOYSA-N 350.752 4.604 0 40 FJAB Cc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 39761933 DYUOIQZCSCVIDE-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1c1ccccc1 40040586 OPEJIIRWOAQSAA-QGZVFWFLSA-N 352.459 4.618 0 40 FJAB O=C1CCCN1c1cc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1Cl 40107739 SNNRMMMRUBLIOP-MRXNPFEDSA-N 374.893 4.506 0 40 FJAB O=C(CNc1ccccc1Sc1ccccc1)N1CCc2ccccc2C1 57816002 XJQZGGOIZJFOFQ-UHFFFAOYSA-N 374.509 4.835 0 40 FJAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H](C)CCC[C@H]3C)cc2F)n1 76069318 IOYSVQIHZHRSSL-DZGCQCFKSA-N 358.461 4.671 0 40 FJAB Cc1noc(-c2ccccc2)c1NC(=O)NCCc1csc(C(C)C)n1 95942299 YTDJKQBQAIXLFG-UHFFFAOYSA-N 370.478 4.594 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 205656913 KRHHVVAOFFBJLV-KGENOOAVSA-N 373.383 4.749 0 40 FJAB O=C(COc1ccc2ccccc2c1)NCCCc1ccccc1Cl 222833907 AZAUNFSDIVSIKA-UHFFFAOYSA-N 353.849 4.621 0 40 FJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)s1 223370071 NEPSZNPZXCAEEF-RBUKOAKNSA-N 365.527 4.624 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223663874 QTNGDAKKAUIVAD-UHFFFAOYSA-N 373.518 4.934 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 224611064 ZBTZBQXRYISYNG-GOSISDBHSA-N 360.457 4.695 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 225388363 IZEYCBOPAPFGHM-SFHVURJKSA-N 365.395 4.742 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1F 225389617 ZAEVNCYKAVLMTM-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 390826082 BBWNBBZOGIBCKL-IBGZPJMESA-N 357.500 4.657 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390830708 MTJPRGLOIMTIBS-CDVVCGDMSA-N 373.861 4.525 0 40 FJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)c1 408580640 QFSTYHFJKOXUNT-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB Cc1cc(CN(C(=O)Cc2cnccc2C)C2CCCC2)c2ccccc2n1 585102478 BMQXZTMSZZJPTH-UHFFFAOYSA-N 373.500 4.761 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 715248 QQKPCZVCKHHACX-AWEZNQCLSA-N 371.502 4.938 0 40 FJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccnc1 846839 UPCJGRHBUAHACE-UHFFFAOYSA-N 366.442 4.548 0 40 FJAB Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 1006550 SQCQHDWUHBHROG-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB Cc1cc(C)cc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 1018195 DAGSCWZDXYFLKD-UHFFFAOYSA-N 354.866 4.714 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2ncccn2)cc1 1085562 OONOMUSKVIJXKE-UHFFFAOYSA-N 355.850 4.675 0 40 FJAB O=C1c2c(ccc3c2CCCC3)CC12Cc1ccc3c(c1C2=O)CCCC3 1855719 KFFVZCVWWLIUSG-UHFFFAOYSA-N 356.465 4.608 0 40 FJAB Cc1cc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)no1 2718359 SMSSBSCHFLNLMM-UHFFFAOYSA-N 363.442 4.862 0 40 FJAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)c1ccc(Cl)s1 3272539 SIVJGFNMZJUINC-UHFFFAOYSA-N 363.649 4.677 0 40 FJAB CC(C)(C)c1ccc(-c2nnc3sc(-c4cccc(F)c4)nn23)cc1 3656328 XRDLJFLYRPFKBY-UHFFFAOYSA-N 352.438 4.956 0 40 FJAB CC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)nc1C 4031933 NXRHRWLUFGIBFO-UHFFFAOYSA-N 352.415 4.699 0 40 FJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)C1CCCCC1 4088709 WYYAFJDGMZIZMD-UHFFFAOYSA-N 361.898 4.791 0 40 FJAB CCN(CC)Cc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 5952430 FIPACKVTXOQANU-UHFFFAOYSA-N 365.502 4.904 0 40 FJAB Cc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 6532429 NXJBPKRYAPQYDL-UHFFFAOYSA-N 362.458 4.582 0 40 FJAB C[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 6650669 VFBGUFSGNXJUPV-MJGOQNOKSA-N 361.489 4.653 0 40 FJAB Cc1cccc(-c2nnc(SCc3coc(-c4cccs4)n3)n2C)c1 8748412 NHDMASOUXUISJO-UHFFFAOYSA-N 368.487 4.799 0 40 FJAB O=C1CCCN1c1cccc(-c2csc(NCc3ccc(F)cc3)n2)c1 9255582 KPNQVGNSOCFCGA-UHFFFAOYSA-N 367.449 4.688 0 40 FJAB CCOC(=O)c1oc2cc(NC(=O)c3ccc(Cl)cc3)ccc2c1C 9659901 GQZNDZMCVMGPRE-UHFFFAOYSA-N 357.793 4.824 0 40 FJAB biogenic CC(C)[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792914 MMGLWGWDNYPYOO-HRAATJIYSA-N 368.477 4.558 0 40 FJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1C 11694407 VFKLFAWATKMAEZ-UHFFFAOYSA-N 367.424 4.669 0 40 FJAB COc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Oc2ccccc2)c1 12918844 KIDYKDGTLOFTOY-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB COc1ccccc1[C@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1C 12945612 CFYXXMHHWFMBJC-KRWDZBQOSA-N 363.505 4.716 0 40 FJAB COc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 12995718 YMGLZCGXCKVZTR-UHFFFAOYSA-N 368.458 4.600 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14400390 SBSDNPJOPBNDBZ-OAHLLOKOSA-N 369.461 4.567 0 40 FJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccccc1C(F)(F)F 15198946 MWFFBLJNCPLBIL-AWEZNQCLSA-N 355.356 4.811 0 40 FJAB CCCCc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1 15881075 HDQPCFFLVFITPX-UHFFFAOYSA-N 353.462 4.760 0 40 FJAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(F)cc2)cc1 20896899 VCCXBBVYEBXPGT-UHFFFAOYSA-N 371.433 4.508 0 40 FJAB CC(C)Oc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 28292517 CLTIRWQONPYLDC-UHFFFAOYSA-N 364.420 4.855 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccccc2OC)cc1 30853312 WAYGPVZJMIXNJP-RDPWEWGOSA-N 353.462 4.621 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)cc1 44880419 NREGCEYFVNFGJF-YLJYHZDGSA-N 355.478 4.655 0 40 FJAB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)CC1 44934271 XRDDUDMRCSNSIE-KRWDZBQOSA-N 354.469 4.549 0 40 FJAB Cc1cc(N)cc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 45890434 QQAQLRRWPZDSPC-NSHDSACASA-N 353.249 4.598 0 40 FJAB CCOc1ccc(-c2csc3c(=O)n(CC(C)C)cnc23)cc1OCC 49002882 DFXQKIGXXVYHLH-UHFFFAOYSA-N 372.490 4.578 0 40 FJAB c1ccc2sc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 58161197 WAEYRHCZASHIII-KRWDZBQOSA-N 366.486 4.795 0 40 FJAB Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H](C)c3cccs3)[nH]c2c1 61795815 PHWTUOOJISAUEW-CZUORRHYSA-N 354.479 4.541 0 40 FJAB COC(=O)c1cc(OCc2c(F)cccc2Cl)c2cc(C)ccc2n1 65033144 BTENNLYEFIBKRR-UHFFFAOYSA-N 359.784 4.701 0 40 FJAB C[C@H](c1ccc(F)c(Cl)c1)N1CCC(NC(=O)C2CCCCC2)CC1 68335036 XFJKBTQYCSHWNE-CQSZACIVSA-N 366.908 4.701 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71326131 HMSBSSQQSGTSKZ-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB COc1cc(NC(=S)Nc2cccc(C(C)C)c2)cc(OC)c1OC 71326234 ZZVAVOKWYDEXMY-UHFFFAOYSA-N 360.479 4.645 0 40 FJAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccc3ncccc3c2)c1 72400822 BESCUMJSPGIVQR-WQRHYEAKSA-N 361.426 4.962 0 40 FJAB CN(C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)c1ccccc1 89313899 DPCKCKFJJCZHFP-SFHVURJKSA-N 359.395 4.968 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCCC[C@H]1c1cccnc1 100755468 QCKWAKZEHJRBJF-IJEWVQPXSA-N 353.293 4.726 0 40 FJAB biogenic Cc1ccccc1[C@@H]1CC2=Nc3ncnn3[C@H](c3ccc(F)cc3)C2=C(O)C1 102659072 RUPTYHZRLJPSTH-QVKFZJNVSA-N 374.419 4.791 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1Cl 219053350 NKBWIPQHZOKXFR-CYBMUJFWSA-N 352.261 4.510 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 222913562 CDRGHIYIGIDWBH-KRWDZBQOSA-N 355.434 4.509 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(F)cc1 223025472 BCEMQJVPGJUTKM-LJQANCHMSA-N 363.860 4.694 0 40 FJAB Cc1cc(C)cc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224291387 WRVBZYHODUXFAF-UHFFFAOYSA-N 352.369 4.669 0 40 FJAB CCCCOCc1cc(C(=O)NCc2ccc(C)cc2)ccc1OCC 224724206 YXJGYTCGFHJJAK-UHFFFAOYSA-N 355.478 4.640 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224913141 JJXWAJWSSWBBFK-OAHLLOKOSA-N 364.445 4.936 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 224941367 XPFLNVYQFRYOMK-UHFFFAOYSA-N 373.865 4.818 0 40 FJAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c2cccnc12 225890389 JUSRLBXHTZNGKL-VFNWGFHPSA-N 356.466 4.557 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OCC)c3ncccc23)CCC(C)CC1 225912625 FTDIIFNSGGBHBX-UHFFFAOYSA-N 370.493 4.948 0 40 FJAB CCCSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 408750819 SBTWNYAAGSVROP-UHFFFAOYSA-N 354.456 4.599 0 40 FJAB CC1=N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O1 408814929 QSBRBHPPDILUMA-VCHYOVAHSA-N 350.805 4.659 0 40 FJAB Cc1cc(Cl)ccc1C1=CCN([C@@H](C(=O)O)c2ccccc2F)CC1 530173363 VFRAYJJGWBCYFM-LJQANCHMSA-N 359.828 4.703 0 40 FJAB Cc1ccc(O)c(CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 537657014 NLEAKMOYMMJHRD-KRWDZBQOSA-N 352.400 4.991 0 40 FJAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 1295120 ANXUIXZPWCIQOO-GOSISDBHSA-N 350.805 4.925 0 40 FJAB CCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 1488097 QBBJSFUFEUXTNU-UHFFFAOYSA-N 352.482 4.931 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1nncc2ccccc12 2629976 GCKXQISLHUXKJM-UHFFFAOYSA-N 363.461 4.894 0 40 FJAB CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 3849721 NPOYAOIFAQWWBZ-WPAMHUCSSA-N 362.554 4.913 0 40 FJAB CCCC(CCC)C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1OC 4033120 USEFUPOKYLJECA-UHFFFAOYSA-N 366.465 4.560 0 40 FJAB CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 4881751 RETYXXYXGODRSH-UHFFFAOYSA-N 372.881 4.700 0 40 FJAB Cc1ccc(C2=N/C(=C\C(Br)=C\c3ccccc3)C(=O)O2)cc1 5002637 DRTPROCEXRHOBO-LSQIQBGYSA-N 368.230 4.618 0 40 FJAB Cc1c(Cl)cccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 5587254 XDTCWOZMTCIIEM-UHFFFAOYSA-N 367.832 4.600 0 40 FJAB Oc1ccc(/C=C2/N=C(S)Nc3nc(Nc4ccccc4)sc32)cc1 5946316 CMETXXDUXWUCPI-GXDHUFHOSA-N 366.471 4.802 0 40 FJAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 6311420 SVTNVJVRIXFQRX-UHFFFAOYSA-N 365.260 4.728 0 40 FJAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 6343358 BBEOGYVNWQVWMI-SNVBAGLBSA-N 372.184 4.959 0 40 FJAB COc1ccc(CCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 6627052 QFWVGQJVYVWQGK-UHFFFAOYSA-N 370.474 4.502 0 40 FJAB COc1cccc(OCc2nc3ccccc3n2Cc2ccccc2C)c1 6753115 JCVDKJBTPUIUBV-UHFFFAOYSA-N 358.441 4.981 0 40 FJAB Cc1cc2sc(NC(=O)COc3ccc(Cl)cc3)nc2cc1Cl 6826352 STXPPCUZKJOZEE-UHFFFAOYSA-N 367.257 4.929 0 40 FJAB Cc1ccc(C)c(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 7580430 ALXWHTUEWUXTMD-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 8915204 SOCSMZIZGHSVIW-OAHLLOKOSA-N 350.418 4.618 0 40 FJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C3CCCCC3)ccc1O2 9134948 JRDPNFYGHCZRLC-UHFFFAOYSA-N 350.418 4.872 0 40 FJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)(C)C)cc1 9190522 DSZQEKIKIGSZBS-UHFFFAOYSA-N 362.473 4.724 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)CSC1=Nc2ccccc2CS1 9363846 NGZSBWXODPGGTK-ZDUSSCGKSA-N 372.515 4.540 0 40 FJAB O=C(/C=C/c1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9419700 UYGASZYQLGMFHR-ZGKFYVQTSA-N 351.837 4.593 0 40 FJAB CCc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 10172951 PTDQEKWQTPQHSH-NRFANRHFSA-N 350.487 4.628 0 40 FJAB Cc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1C 10702698 JIVMCIPLEHMXLP-UHFFFAOYSA-N 350.443 4.501 0 40 FJAB COc1cc(Cl)c(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 11014046 WQRGKRQIIMEEAP-UHFFFAOYSA-N 373.758 4.557 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c1C 11915794 WPCMNXGRAMDCSU-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1Br 12797022 CHHBLIWATVZURJ-UHFFFAOYSA-N 369.259 4.566 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 12852586 BQUANCXDHGVREF-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1c(Cl)cccc1Cl 13925082 HTHQMRLJBKNJPH-ZSOIEALJSA-N 352.604 4.991 0 40 FJAB CC(C)n1ncc2cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)cnc21 14184197 GRQQHSFHKNQJAI-CQSZACIVSA-N 366.490 4.543 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)NC12CC3CC(CC(C3)C1)C2 14187755 QHZLPZDKLTUDNF-UHFFFAOYSA-N 358.532 4.879 0 40 FJAB O=C(Nc1nccs1)c1ccccc1CSc1nc2ccccc2o1 14461654 OHAHLILGTOUANN-UHFFFAOYSA-N 367.455 4.829 0 40 FJAB O=C(Nc1ccc(F)cc1Br)c1ccc(Br)cc1 20430097 ZGYOVRLOEKSHGS-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB C[C@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@@H](O)c1ccccc1 22107496 OKUWGZIGRPNPRP-RNODOKPDSA-N 359.828 4.951 0 40 FJAB O=C1C[C@H](C(=O)OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1 22310636 VDSAOTYHVBZPRO-FQEVSTJZSA-N 357.409 4.523 0 40 FJAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 27980862 DFKJVTIUZUOONG-UHFFFAOYSA-N 352.434 4.548 0 40 FJAB O=C(NCc1ccccc1COc1ccccc1)c1c(F)cccc1Cl 30510936 ALTFBYIXUDXVPS-UHFFFAOYSA-N 369.823 4.988 0 40 FJAB C[C@H](NC(=O)COc1ccccc1C(F)(F)F)c1ccccc1Cl 32854440 NSGXVLDFCZWXGA-NSHDSACASA-N 357.759 4.615 0 40 FJAB Cc1cc(C)cc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 33326234 QPPNTIUIRRXTPN-UHFFFAOYSA-N 352.459 4.520 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1cccc(Cl)c1 36360229 OVIYYXUZCNBOKO-OAHLLOKOSA-N 353.809 4.658 0 40 FJAB Cc1cc(F)c2c(c1)CCCN2C(=O)Cc1nc(-c2cccs2)oc1C 36396920 NOIPHVOZIDITQC-UHFFFAOYSA-N 370.449 4.681 0 40 FJAB Cc1cc2oc(=O)cc(CN[C@@H]3CCCc4ccccc43)c2cc1Cl 40460163 CPABZUTWTOTHEZ-LJQANCHMSA-N 353.849 4.922 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)c4ccccc4OC)ccc3o2)c1 40717313 ZKYDROLHJUZECD-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCC3)cc1 45932728 CGVZWTJTCXNGTO-UHFFFAOYSA-N 366.461 4.677 0 40 FJAB O=C(Nc1ccc(Oc2ncccn2)cc1)[C@H]1C[C@@H]1c1ccccc1Cl 58393402 GMCRKKVWVXKPKP-SJORKVTESA-N 365.820 4.665 0 40 FJAB O=C1S/C(=C/c2ccccc2Br)C(=O)N1c1ccccc1 59502985 WVNXYCMUXPSCIY-GXDHUFHOSA-N 360.232 4.690 0 40 FJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccc2)C1 72358350 OCGAJTNBGDKYBB-LJQANCHMSA-N 359.473 4.532 0 40 FJAB CC[C@H](OC(=O)c1ccc(F)c(NC(C)=O)c1)C(C)(C)c1ccccc1 84718791 MZXDDBUULASZDV-IBGZPJMESA-N 357.425 4.697 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cl)c(Cl)c1 96586364 JVLOXOFMTFOULZ-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB COc1cc([C@H]2C3=C(O)CCCC3=Nc3onc(C(C)(C)C)c32)ccc1O 102750580 SQMGBWKNYBHVJT-INIZCTEOSA-N 368.433 4.900 0 40 FJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1C[C@H]2C=C[C@H]1C2 102784083 TXDDEGRXUPBJIP-PAXZMXHZSA-N 355.481 4.612 0 40 FJAB COC(=O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118077674 UVUSQYSQLHVUCS-UHFFFAOYSA-N 361.608 4.991 0 40 FJAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 219850172 CCWRPHLPCIBTBG-UHFFFAOYSA-N 373.294 4.613 0 40 FJAB CCOc1ccccc1NC(=S)NCCCc1ccc(OC(C)C)cc1 225568169 YEGZESJJYRSVGN-UHFFFAOYSA-N 372.534 4.792 0 40 FJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1)C1CC1 225857443 BBHTZRWHXSWUPP-QGZVFWFLSA-N 359.388 4.638 0 40 FJAB CCc1cc(Br)cc(C)c1NC(=O)c1cc(F)ccc1F 226096799 KYOPJWLPZPJDML-UHFFFAOYSA-N 354.194 4.850 0 40 FJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/C=C/c2ccccc2)S1 408798845 GBOKQJIYRUIDML-UHFFFAOYSA-N 355.870 4.968 0 40 FJAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cncc3ccccc23)cc1 614893942 UFDMWLICIQZWOJ-KRWDZBQOSA-N 362.473 4.773 0 40 FJAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C(C)(C)Oc1ccc(F)cc1 1518648541 ZJSUDCCBIZUPGU-UONOGXRCSA-N 359.416 4.657 0 40 FJAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)c1C 709968 UURQLGQTBWNGFU-KRWDZBQOSA-N 364.489 4.593 0 40 FJAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1 814015 RAEKUYIOIGSCFV-UHFFFAOYSA-N 361.426 4.660 0 40 FJAB O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2[nH]1 882334 HSKNCGOPGBDJCS-UHFFFAOYSA-N 369.833 4.524 0 40 FJAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc32)cc1 883930 GDSRSYZFFCETCF-QFIPXVFZSA-N 373.504 4.639 0 40 FJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)c3cccs3)n12 929767 IHCVZSKCQSQCGQ-UHFFFAOYSA-N 367.499 4.844 0 40 FJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(OC)c1 949059 UOKGDUVZVYYNDY-UHFFFAOYSA-N 350.418 4.781 0 40 FJAB CC(=O)n1c2ccc(Br)cc2c2cc(Br)ccc21 1041938 RHZLBPJRANGBFQ-UHFFFAOYSA-N 367.040 4.980 0 40 FJAB CCCc1nc(SCC(=O)Nc2c(C)cccc2C)c2ccccc2n1 1342734 GSBGNSSAPYPIKO-UHFFFAOYSA-N 365.502 4.930 0 40 FJAB O=C(Cc1c[nH]c2ccccc12)N(Cc1ccco1)Cc1cccs1 3344876 LHXFZYCNNWJQOB-UHFFFAOYSA-N 350.443 4.594 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 4183016 DHEGKABXZFOGKI-INIZCTEOSA-N 353.462 4.804 0 40 FJAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 4503013 DKTLRPOVVIGYBR-UHFFFAOYSA-N 370.257 4.594 0 40 FJAB COc1cc(NC(=O)c2sccc2-c2ccc(C)cc2)cc(OC)c1 5404491 QSDFGIZIRAIOAL-UHFFFAOYSA-N 353.443 4.993 0 40 FJAB CCCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 5545919 NIEHQNNZVZALAB-UHFFFAOYSA-N 363.505 4.898 0 40 FJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(N)c1 5938094 SAQCWCISHOSSPB-QMMMGPOBSA-N 359.640 4.635 0 40 FJAB Cc1ccc2nc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)[nH]c2c1 6536755 IBYIYWLFBFMEFS-UHFFFAOYSA-N 367.518 4.791 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 6809734 RKJLPLGCLHMFPO-UHFFFAOYSA-N 365.429 4.879 0 40 FJAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccc(-c2ccccc2)cc1 8074641 HJKNZCFCDXEPFY-INIZCTEOSA-N 369.420 4.951 0 40 FJAB Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)oc2ccc(Cl)cc12 8230725 UXLFZXPQLXHWKA-UHFFFAOYSA-N 368.820 4.539 0 40 FJAB Cc1cc(F)ccc1NC(=O)COc1ccc(C2SCCS2)cc1 8305179 SKOWWYZWXSAOBE-UHFFFAOYSA-N 363.479 4.630 0 40 FJAB O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)c2ccc(Cl)cc21 8612586 ACEBIJONOSSIFL-HXUWFJFHSA-N 355.220 4.822 0 40 FJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2)cc1 9514207 QHNFFFPRJNQLQM-HNNXBMFYSA-N 366.490 4.516 0 40 FJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCC2)cc1 10330290 IGPZSFWRBJAMPF-UHFFFAOYSA-N 363.288 4.519 0 40 FJAB CC(=O)Nc1ccc(Nc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 12553207 ALAGZWYENQLPCN-UHFFFAOYSA-N 365.824 4.546 0 40 FJAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12581427 TXPLDFQVQXWJSL-QGZVFWFLSA-N 367.493 4.515 0 40 FJAB CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccco1 12614699 ROEQOAMFCILCIH-UHFFFAOYSA-N 352.419 4.505 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3Cl)o2)cs1 12619173 OXPRKSRHVQURHT-UHFFFAOYSA-N 367.257 4.948 0 40 FJAB CCn1ncc2c(C(=O)Nc3cccc(F)c3)cc(-c3ccccc3)nc21 12619996 LEFGFVVNVIYDEX-UHFFFAOYSA-N 360.392 4.510 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OC[C@@H]1CCCO1 12939859 XCHWGZSMNXLSOP-HNNXBMFYSA-N 365.351 4.516 0 40 FJAB Clc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 13282000 GSQLAOKXQUMDES-UHFFFAOYSA-N 360.804 4.941 0 40 FJAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(F)cc3)n2C)cc1 13871195 VJUYXSZJPRLIOZ-CQSZACIVSA-N 371.481 4.949 0 40 FJAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(OC(F)F)cc1 14111125 JJTWHDUVWJIZOG-UHFFFAOYSA-N 366.414 4.654 0 40 FJAB CCSc1nnc(NC(=O)/C=C/c2c(CC)oc3ccccc23)s1 15582464 AIFCALJAOYQZDH-MDZDMXLPSA-N 359.476 4.611 0 40 FJAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(C)c(C)c4)nc3C2)cc1 17076455 RQJHUOIHPLXDJR-QGZVFWFLSA-N 373.456 4.758 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccs1 18704328 WBAMGOSHPRZLBU-KRWDZBQOSA-N 359.397 4.869 0 40 FJAB O=C(Nc1ccccc1C(=O)O)c1ccc(CSc2ccccc2)cc1 20238857 ZOLGFMBIFUMAHD-UHFFFAOYSA-N 363.438 4.929 0 40 FJAB O=C(Cc1ccccc1Cl)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20718745 LOTYBHZAZPPUBY-UHFFFAOYSA-N 359.256 4.602 0 40 FJAB Cc1[nH]c2ccc(C(=O)N(C)CCOc3ccccc3Cl)cc2c1C 21710634 NIQMGHLAJSXOFY-UHFFFAOYSA-N 356.853 4.589 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(OC)cc1 22531696 VAXRETSKYPVYPO-OXJNMPFZSA-N 355.478 4.853 0 40 FJAB COc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc(Cl)c1OC(C)C 23429619 FFYDRTRGDHSXPE-CABCVRRESA-N 365.901 4.788 0 40 FJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24892735 JPRIUXRTFMOFHA-UHFFFAOYSA-N 374.469 4.685 0 40 FJAB COc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1 27525337 WNFUQFCEARQQNX-UHFFFAOYSA-N 373.456 4.727 0 40 FJAB CCc1sc(NC(=O)C(C)C)nc1-c1ccc(Br)cc1 28250364 WBWUUTJRFVGBKZ-UHFFFAOYSA-N 353.285 4.730 0 40 FJAB CN(C)[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1Cl 29051076 BTORTKPYCXWOAG-LJQANCHMSA-N 368.864 4.633 0 40 FJAB O=C(COc1ccc2ccccc2c1)N(Cc1cccc2[nH]ccc12)C1CC1 32102998 NAVDZZIBPOQMHQ-UHFFFAOYSA-N 370.452 4.891 0 40 FJAB O=C(CCc1c[nH]c2ccccc12)OCCCOc1ccc(Cl)cc1 32823673 XIPUCAMXAGVKED-UHFFFAOYSA-N 357.837 4.766 0 40 FJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1 35310753 YJKJUICGTSPQJT-CTXDPNEZSA-N 371.594 5.000 0 40 FJAB O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cc2ccccc2o1 35586391 KTBIYKDJQIUKEC-UHFFFAOYSA-N 373.290 4.754 0 40 FJAB Cc1cc(C)n(-c2cccc(NC(=O)c3c(-c4ccccc4)noc3C)c2)n1 40134068 XHAAGMYBIRVNGJ-UHFFFAOYSA-N 372.428 4.705 0 40 FJAB O=C(O)/C=C/c1cc(Br)c(-c2cccc(C(F)(F)F)c2)o1 40545064 WLWQNTJEBRWZHW-SNAWJCMRSA-N 361.113 4.826 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 44843315 FQTTWTNNKLVCBT-SJORKVTESA-N 363.457 4.883 0 40 FJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CCC(C)C)C2CC2)c1 48261727 HWXGEXQSGXVCEN-UHFFFAOYSA-N 351.878 4.731 0 40 FJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Oc2ccccc2)nc1 48324509 XRJAHDPFIFXKST-UHFFFAOYSA-N 356.385 4.516 0 40 FJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)c1 49422399 LQNSRZLCRWIDMS-UHFFFAOYSA-N 354.479 4.765 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 56386630 PHERTUOYMINDOO-UONOGXRCSA-N 373.884 4.762 0 40 FJAB COc1cc(NC(=S)Nc2ccc(F)c(C)c2)c(OC)cc1Cl 71326160 WBEPETNLEIGKDX-UHFFFAOYSA-N 354.834 4.614 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCCC1 72216013 DIXIYAKTOLSJQS-FQEVSTJZSA-N 365.477 4.546 0 40 FJAB COc1ccc(CN(C)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 78248486 PONIEWSRNDYHGG-UHFFFAOYSA-N 367.493 4.595 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1 95942257 IHAVRAGXFALCRL-LPHOPBHVSA-N 370.497 4.868 0 40 FJAB CC(=O)c1cc(F)c(NC(=O)CCc2ccc(Cl)s2)c(F)c1F 95983213 LRBBMFAEQVYKFM-UHFFFAOYSA-N 361.772 4.593 0 40 FJAB Cn1cnc2c(-c3ccccc3)nc(C3CCN(Cc4ccco4)CC3)cc21 96099922 ZYINDPRIOYADSY-UHFFFAOYSA-N 372.472 4.608 0 40 FJAB CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)c4cc(O)ccc4[C@H]3CC[C@]12C 96295531 PRZIFAMBDFWLSI-XOJSAPGMSA-N 372.505 4.841 0 40 FJAB in-vitro CCn1c([C@@H](C)NCc2ccn(Cc3ccccc3)c2)nc2ccccc21 97022817 ULZJXKOMINKBIE-GOSISDBHSA-N 358.489 4.757 0 40 FJAB C[C@@H](NC(=O)CN(C)[C@H]1CCCc2ccccc21)c1cc2ccccc2o1 102525140 IEZHWEMEHSASTR-UZLBHIALSA-N 362.473 4.619 0 40 FJAB O=C(c1csc(-c2ccoc2)n1)N1CCSc2ccc(Cl)cc21 108156883 PQBFBYOZROUDFG-UHFFFAOYSA-N 362.863 4.809 0 40 FJAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cc1cc2c(ccc3ccccc32)o1 133753719 TWWOSPJFGKFADL-FQEVSTJZSA-N 373.456 4.832 0 40 FJAB CCn1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc21 222586247 RLIJBQICBSXDDA-PNHOKKKMSA-N 362.502 4.646 0 40 FJAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224173902 PSDYDYYMFMGNRR-WOJBJXKFSA-N 362.502 4.641 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1 224845803 OEAYSMPLQRKGOR-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1cccc(OC)c1 225768019 WMJANCMMXYABTM-UHFFFAOYSA-N 367.474 4.591 0 40 FJAB CC(C)c1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260735448 INAFZPGNMSQCAH-QGZVFWFLSA-N 367.562 4.938 0 40 FJAB Cc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1ccccc1 408619230 AIWPXNHQCNVGBJ-UHFFFAOYSA-N 365.820 4.548 0 40 FJAB Cc1ccc(N=c2[nH]c(-c3cccs3)c(CC(=O)O)s2)cc1Cl 408885546 BSJUSMIMFADLCA-UHFFFAOYSA-N 364.879 4.626 0 40 FJAB Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cs1 409023267 WERQXGMPLYRYSM-UHFFFAOYSA-N 371.845 4.812 0 40 FJAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC(C)(CC(F)(F)F)C1 622677026 QYFBLYGYSFKOSB-SECBINFHSA-N 370.198 4.562 0 40 FJAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(Oc2ccc(Cl)cc2)c1 1527907846 NGCPVZZXYWCSFI-JSNMRZPZSA-N 371.864 4.820 0 40 FJAB CC(=O)N1c2ccccc2C(CSc2nc3ccccc3[nH]2)=CC1(C)C 2033970415 WHGWTHLBYQJOKJ-UHFFFAOYSA-N 363.486 4.884 0 40 FJAB CCCc1nc(N2CCCC2)c2sc(=S)n(-c3ccccc3)c2n1 1444480 ONFOTZJPBQBIDX-UHFFFAOYSA-N 356.520 4.764 0 40 FJAB CCOC(=O)CCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242958 MFBLNHLGZCEFDA-UHFFFAOYSA-N 356.262 4.640 0 40 FJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCc4ccccc4C3)cc12 3216610 HRTVNJDEEDHNTO-UHFFFAOYSA-N 373.481 4.594 0 40 FJAB CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 3275915 YJOGPBYXVUSKGJ-AWEZNQCLSA-N 366.244 4.669 0 40 FJAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(Cl)cc3)[nH]2)cc1 4315439 ZTKVZHXDPBEJAS-UHFFFAOYSA-N 371.893 4.561 0 40 FJAB CSc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 4316182 OAZAKVARQNBGPW-UHFFFAOYSA-N 372.881 4.512 0 40 FJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc4ccccc4c2)N3)C1 4556170 PZBAGRIDWPUUEP-LJQANCHMSA-N 363.486 4.708 0 40 FJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(F)c(F)c3)o2)cc1 5210518 OZVBVMLJPYTWDG-LLVKDONJSA-N 360.385 4.687 0 40 FJAB Cc1nnc(SCc2csc(-c3ccccc3)n2)n1-c1ccccc1 6109170 XMVVUAMUEQEQAC-UHFFFAOYSA-N 364.499 4.992 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F 6234842 RJHWEZONWMJMRJ-UHFFFAOYSA-N 356.077 4.941 0 40 FJAB CC(=O)c1ccc(OC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6479741 WIKLKXAONURJDZ-UHFFFAOYSA-N 360.409 4.996 0 40 FJAB O=c1ccn(C/C=C\c2ccccc2)c(=S)n1C/C=C/c1ccccc1 8665736 LMJDRRZKQIAUGW-MFUUIURDSA-N 360.482 4.806 0 40 FJAB Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(Br)c1 8706713 ATUDSPRRAUSAAP-UHFFFAOYSA-N 355.235 4.801 0 40 FJAB COc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nc2c1 9190270 MVRWYDXSVWVSNC-UHFFFAOYSA-N 372.424 4.993 0 40 FJAB COc1ccc2cc(CNC(=O)c3ccccc3C(F)(F)F)ccc2c1 11123874 SZOGXNQLEBHRRZ-UHFFFAOYSA-N 359.347 4.797 0 40 FJAB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3)C[C@H]21 12080503 ROINBPDEQNYHDI-DYESRHJHSA-N 362.454 4.999 0 40 FJAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 12113082 YALLKSYYRXKYKK-MRXNPFEDSA-N 373.884 4.676 0 40 FJAB O=C(c1c(F)cccc1F)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188072 BFEOKHXCOPEKBG-INIZCTEOSA-N 352.384 4.533 0 40 FJAB Cc1cc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)on1 12422299 PIYLPYBGAAZTRL-UHFFFAOYSA-N 367.405 4.579 0 40 FJAB Cc1ccc(NC(=O)CSCc2nc(-c3ccccc3)oc2C)cc1 12919483 SPOCHLDSFRMXNN-UHFFFAOYSA-N 352.459 4.830 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c(C)c1 13612731 IVIUBLQVFFJACU-HNNXBMFYSA-N 357.475 4.599 0 40 FJAB O=C(NCCSc1ccccc1)c1ccccc1CCc1ccccc1 13688240 VMXOFCYFIYWVNY-UHFFFAOYSA-N 361.510 4.994 0 40 FJAB COc1ccc(C2(NCc3ccc4cc(OC)ccc4n3)CCCC2)cc1 13998224 YDERMXCSIYZAIC-UHFFFAOYSA-N 362.473 4.811 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)c1cc(Br)ccc1Cl 17297610 CCAWWFQMVKMQIN-UHFFFAOYSA-N 373.077 4.728 0 40 FJAB Cc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c1C 19909552 YQXGWAYEGUAKNC-AWEZNQCLSA-N 367.832 4.933 0 40 FJAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H]1c1nc2ccccc2s1 25049086 UBSUQCQXAOSYLX-KRWDZBQOSA-N 365.433 4.894 0 40 FJAB O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccc3c(c2)OCCO3)on1 27663040 DRNSPNYFMVKPQH-UHFFFAOYSA-N 372.380 4.518 0 40 FJAB Cc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 33854176 XKYQNEFQLYEDLA-CXUHLZMHSA-N 358.850 4.754 0 40 FJAB FC(F)(F)Oc1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 35446528 QSZCNPIMKZCFCG-AWEZNQCLSA-N 362.351 4.716 0 40 FJAB biogenic,in-vitro Cc1nc2ccc(C(=O)Nc3ccc4oc(C(C)C)nc4c3)cc2nc1C 40081701 LMFCPMKXXBZNLE-UHFFFAOYSA-N 360.417 4.764 0 40 FJAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44933277 OAOCHDCWQUDSPS-GOSISDBHSA-N 366.505 4.562 0 40 FJAB CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H]1c1ccccc1F 58618435 GDVIMODPOSSACT-CABCVRRESA-N 351.343 4.607 0 40 FJAB C[C@H](c1ccccn1)N(C(=O)Nc1cccc(Br)c1)C1CC1 72309790 WOKCTGAEBJECAO-GFCCVEGCSA-N 360.255 4.602 0 40 FJAB Cc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(C)c1 75094170 TTXMFNMTPAOLLB-HXUWFJFHSA-N 354.494 4.917 0 40 FJAB FC(F)(F)Cn1ccnc1CN1CCCCC[C@H]1/C=C/c1ccccc1 79058719 XNKPVDXPXLHDPY-ZGKFYVQTSA-N 363.427 4.903 0 40 FJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(-c2ccccc2Cl)o1 79190035 KAWYFYHCNBEYIZ-MAUKXSAKSA-N 372.896 4.594 0 40 FJAB biogenic O=C(CCn1ccc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 95479737 CSCGOWSLLNRSPZ-UHFFFAOYSA-N 365.864 4.525 0 40 FJAB COc1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 100279508 UFRQGZAOHIQFKU-OYHNWAKOSA-N 354.494 4.658 0 40 FJAB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ncnn32)cc1 102680214 JELPGDQREQPULZ-HRAATJIYSA-N 374.419 4.791 0 40 FJAB C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccccc2)cc1 127137081 SOVJXGUUVRDUNO-BEFAXECRSA-N 366.417 4.706 0 40 FJAB CCCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218982734 RVOUVYJIYALJET-IBGZPJMESA-N 353.462 4.816 0 40 FJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224151148 WPDUMOPRTVBBJH-AWEZNQCLSA-N 361.869 4.846 0 40 FJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224255828 BIHAVOOEOLHTRB-UXHICEINSA-N 363.486 4.777 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 225631093 UWYLTJZXMMXFLS-UHFFFAOYSA-N 351.446 4.775 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1C 225882009 UETPXSYRYWYLNY-MSOLQXFVSA-N 351.490 4.827 0 40 FJAB CCn1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C 409138708 GWIDOCPWZHKKHP-XMHGGMMESA-N 368.502 4.794 0 40 FJAB C[C@H](Cc1cncc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1 553593392 MKMWYOIMNMZXNF-MRXNPFEDSA-N 366.892 4.816 0 40 FJAB COc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 942551 LILNGNLCJIMZEP-UHFFFAOYSA-N 350.292 4.921 0 40 FJAB biogenic CCOC(=O)c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 1402260 KJASHXMTOJHAII-UHFFFAOYSA-N 350.749 4.736 0 40 FJAB CCOC(=O)c1[nH]c(-c2ccccc2)c(C(=O)OCC)c1-c1ccccc1 1596874 OXVMXZKQWBYDHI-UHFFFAOYSA-N 363.413 4.702 0 40 FJAB CCOP(=O)(OCC)[C@@H](Nc1ccc(C(=O)O)cc1)c1ccccc1 2316925 WWDPGTPOIIDRCO-QGZVFWFLSA-N 363.350 4.762 0 40 FJAB Cc1cccc2cc3c(NC(=O)c4ccccc4)nn(CC(C)C)c3nc12 2404231 YOGHJOJKIBCTRG-UHFFFAOYSA-N 358.445 4.801 0 40 FJAB CCn1cc(CC[C@H](C)NC(=O)OCc2ccccc2)c2ccccc21 3765570 NRJOVENPWMFZGH-KRWDZBQOSA-N 350.462 4.909 0 40 FJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2cccs2)c1 5938238 KTTBVAXPGSYJKG-UHFFFAOYSA-N 364.470 4.581 0 40 FJAB CCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 6638420 VUMWEBFZYFEVHB-UHFFFAOYSA-N 353.340 4.755 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccsc1)S[C@@H](C)C(=O)N2 6679249 PPUITQVGVKEARQ-ZBEGNZNMSA-N 373.478 4.545 0 40 FJAB Cc1nc2cc(NC(=O)c3ccccc3SC[C@H]3CCCO3)ccc2o1 8369417 FPWBEYLILJKYLD-OAHLLOKOSA-N 368.458 4.660 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(C)n(C)n4)cc3)sc2c1 9001703 HVRRXYNTWDUVRK-UHFFFAOYSA-N 362.458 4.566 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1C 9064460 IQYRTOWJYOBGGD-QGZVFWFLSA-N 352.478 4.700 0 40 FJAB CCn1c(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)nc2ccccc21 12506990 LZRXJDNNVBXCLV-UHFFFAOYSA-N 373.412 4.771 0 40 FJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@@H]1COc2ccccc2C1 12517136 KLUQPUUAXNTAGM-INIZCTEOSA-N 370.880 4.520 0 40 FJAB Clc1ccc2c(c1)nc(CSc1nncs1)n2Cc1ccccc1 12741649 YJTURJPXCNZDHR-UHFFFAOYSA-N 372.906 4.882 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1Cl 12945296 DNMKRKFTPUCZDR-NSHDSACASA-N 362.907 4.945 0 40 FJAB CCOc1ccccc1-c1nnc(SCC(=O)c2cc(C)ccc2C)o1 14112140 YWQOKIZUMHJMML-UHFFFAOYSA-N 368.458 4.727 0 40 FJAB Cc1cccc2cc3c(nc12)N(C(=O)c1cccc(Br)c1)CC3 15842009 MTMFCSQOJSMSQX-UHFFFAOYSA-N 367.246 4.509 0 40 FJAB Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N(C)C)cc1 15859870 MPHIGBJTUNGGCB-INIZCTEOSA-N 372.921 4.896 0 40 FJAB O=C(CCSc1ccc(F)c(F)c1)NC12CC3CC(CC(C3)C1)C2 18076797 FYFQGIWVNBTZIV-UHFFFAOYSA-N 351.462 4.532 0 40 FJAB Cc1cccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20104497 LMXSVAMPSFIMET-UHFFFAOYSA-N 370.496 4.878 0 40 FJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc2ccccc2c1 20139136 BJRJZKVWKKVPPW-UHFFFAOYSA-N 373.408 4.853 0 40 FJAB Cc1ccccc1-c1n[nH]c(SCc2ccc(Br)cc2)n1 20195610 MHELQGHMJYCMQT-UHFFFAOYSA-N 360.280 4.835 0 40 FJAB COC(=O)c1ccoc1COc1c(Cl)cc(Cl)c2ccc(C)nc12 23445791 NCJDJGPAPLJAFR-UHFFFAOYSA-N 366.200 4.809 0 40 FJAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccoc1 24924860 TVYBMMGHLDOEDQ-UHFFFAOYSA-N 353.230 4.886 0 40 FJAB CC1CCN([C@H](CNC(=O)c2ccc(Cl)s2)c2cccs2)CC1 27573594 ZZTWIABBUYLBKZ-CYBMUJFWSA-N 368.955 4.666 0 40 FJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 30751557 CDKSQPLAGAHDHJ-RTWAWAEBSA-N 355.478 4.756 0 40 FJAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1OC(F)F 32777537 UFLMOEIBHFSAMA-GFCCVEGCSA-N 368.811 4.573 0 40 FJAB CC(C)(C)c1cc(O)c2oc3nn(-c4cccc(Cl)c4)c(=O)c-3cc2c1 33020955 AYDHYOKQOIHVSO-UHFFFAOYSA-N 368.820 4.740 0 40 FJAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 34848976 GPWPEXSFGDAVJX-QGOAFFKASA-N 360.523 4.926 0 40 FJAB CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 36620567 RRWVVQDJJRKCTM-HXUWFJFHSA-N 361.482 4.550 0 40 FJAB CC(C)(NC(=O)CCNc1ccccc1)c1ccc(Cl)c(Cl)c1 62580965 SGQOPVNZOKAQAK-UHFFFAOYSA-N 351.277 4.847 0 40 FJAB O=C(Nc1nncs1)c1sc2cc(C(F)(F)F)ccc2c1Cl 71880919 CLUNNQRSBYQPCP-UHFFFAOYSA-N 363.773 4.677 0 40 FJAB CCc1cccc(C)c1NC(=O)COc1cc(C)nc2c(F)cccc12 95427505 UAGQBIAMNRYNAL-UHFFFAOYSA-N 352.409 4.571 0 40 FJAB COc1ccc([C@H]2C=C(c3ccc4ccccc4c3)Nc3nc(C)nn32)cc1 101387944 WRZJOPLIFHORKL-JOCHJYFZSA-N 368.440 4.804 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 224423563 JPBSLBDNCWSAHC-SFHVURJKSA-N 369.505 4.725 0 40 FJAB CCCNC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496881 NMOJYZLTNDYCNO-UHFFFAOYSA-N 359.473 4.610 0 40 FJAB Cc1cccc(CSCCCNC(=S)Nc2ccc(F)cc2F)c1 225603792 QUIOAAPLQQZQRK-UHFFFAOYSA-N 366.502 4.883 0 40 FJAB Fc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 247542651 SVFQQPZSZOXLGQ-NYVOZVTQSA-N 370.899 4.891 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)c(OC)c1 408579924 LMUKFVLRPQCRPN-UHFFFAOYSA-N 368.458 4.696 0 40 FJAB O=C1CC[C@@]2(CCCN(CC3CCCCC3)CC2)N1Cc1ccccc1 585100866 ZRKPUUVINLJEGZ-HSZRJFAPSA-N 354.538 4.614 0 40 FJAB CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@H]3O)ccc21 1628138220 MMXBRQVTUNPQEL-IOMROCGXSA-N 369.549 4.801 0 40 FJAB CCCSCc1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 1775972354 YRRQEXFGJOXGOO-VMPITWQZSA-N 350.900 4.653 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 2645363 NAWGJAWQQUOPJO-UHFFFAOYSA-N 351.471 4.695 0 40 FJAB CCCCCn1c([C@@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 2721370 CQBIMXSHUZUSNJ-MRXNPFEDSA-N 365.477 4.726 0 40 FJAB CCCCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)N(C)C2=S)cc1 3369959 KBJPTXSBRFQTMM-HKWRFOASSA-N 364.514 4.942 0 40 FJAB CSc1ccc(/C=C(/Sc2nnc(-c3ccccc3)o2)C(=O)O)cc1 3378090 IFHQFFIMNFPMBA-RVDMUPIBSA-N 370.455 4.676 0 40 FJAB Cc1cc(C(=O)COc2ccc(F)cc2Br)c(C)n1C1CC1 3407144 FNDGDHQTBYTUIS-UHFFFAOYSA-N 366.230 4.603 0 40 FJAB COc1ccccc1[C@]1(CCNCc2ccco2)CCO[C@H](C(C)C)C1 4043411 RRBSQXXIPSHAEE-FCHUYYIVSA-N 357.494 4.541 0 40 FJAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CSC3)cc1C 4224465 SQXGQZNCWKIBGK-UHFFFAOYSA-N 367.449 4.627 0 40 FJAB O=C(c1ccccc1F)N(Cc1ccccn1)c1nc2ccccc2s1 4304759 TZWMBMLDUNZGQP-UHFFFAOYSA-N 363.417 4.677 0 40 FJAB COc1cccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)c1 4678698 OPDKJWCMJZYOFN-UHFFFAOYSA-N 361.367 4.727 0 40 FJAB CC(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc(NC(C)C)n1 5255763 LXPDKTSPBAINCT-UHFFFAOYSA-N 355.273 4.563 0 40 FJAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8049042 AOHUZXNGIMSJAV-UHFFFAOYSA-N 356.491 4.579 0 40 FJAB Cc1cc(NC(=O)[C@H](Sc2nc3ccccc3o2)c2ccccc2)no1 8327754 NBOQQQLXFQAKEL-QGZVFWFLSA-N 365.414 4.596 0 40 FJAB O=C(CN(C1=NCCCS1)c1ccc(Cl)cc1)c1cccs1 8419610 XLZVMDRZTNNUMM-UHFFFAOYSA-N 350.896 4.584 0 40 FJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccccc1OC 8844214 WBYNYIAZLHHNQK-UHFFFAOYSA-N 373.455 4.524 0 40 FJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(F)cc1)Cc1ccco1 9204823 YRSCEGRPYFYXCL-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB Cc1nc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cs1 10643140 WHYCJZXKSANPIF-AQKVLALTSA-N 366.511 4.701 0 40 FJAB CC(C)C[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2[nH]1 10961665 CFYPLRKKQMMZAI-FQEVSTJZSA-N 374.488 4.811 0 40 FJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccc1 12908289 TUYZLZUSJTWSIA-HNNXBMFYSA-N 356.274 4.519 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(C(=O)O)ccc1Cl 13167584 PPXRHAJIPZCEMR-UHFFFAOYSA-N 365.816 4.886 0 40 FJAB Cc1nc(C)c(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)s1 13227643 VRBFPZJIMPEWQY-UHFFFAOYSA-N 365.502 4.636 0 40 FJAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)c(C)c3)=NN12 13758557 AZXTUVGLPQWGGX-CTNGQTDRSA-N 352.503 4.926 0 40 FJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)C(=O)c3ccccc3)c2C1 13988235 NKLMJLXLTVJOCH-HZPDHXFCSA-N 373.452 4.788 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 15600594 BXXJGSCCBIXPBH-UHFFFAOYSA-N 354.793 4.746 0 40 FJAB Cn1c(Cc2cccc3ccccc23)nnc1SCc1cccc(F)c1 20427835 FSURJFHVMKFSQR-UHFFFAOYSA-N 363.461 4.991 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 20493778 HGISONGIEJUGMS-QRWLVFNGSA-N 359.441 4.505 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](c1cccs1)C(C)C 21494731 RDOCIJNHGVSPRU-RXVVDRJESA-N 368.502 4.526 0 40 FJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n2CC 24767395 LEALYQKJVGZANI-OAHLLOKOSA-N 371.531 4.930 0 40 FJAB CCc1ccc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)c1 27749930 ODRMFWPYWKXDRG-UHFFFAOYSA-N 355.825 4.559 0 40 FJAB CN(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(Cl)cc1 30847708 HXVTURXPMCJBRW-UHFFFAOYSA-N 352.261 4.811 0 40 FJAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccc(F)cc1Cl 32755050 HZKZNNRAFFQNRG-UHFFFAOYSA-N 362.809 4.914 0 40 FJAB CCCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124350 LAZVOCZZVPSHPA-UHFFFAOYSA-N 360.870 4.696 0 40 FJAB O=C(c1ccc(-c2ccccc2F)s1)N(Cc1cccnc1)C1CC1 47435927 URLSYOCUJZTQBJ-UHFFFAOYSA-N 352.434 4.754 0 40 FJAB COc1cccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)c1 49006146 AHPGUTQOZRAFPS-UHFFFAOYSA-N 355.444 4.521 0 40 FJAB O=C(NCCc1ccccn1)/C(=C\c1ccccc1)c1ccc(Cl)cc1 57991086 JLSREQPINNWKCH-PGMHBOJBSA-N 362.860 4.635 0 40 FJAB CC(C)c1nc2cc(NC(=O)Nc3ccc(N4CCCC4)nc3)ccc2o1 65789335 AAPADXDWAQUZCA-UHFFFAOYSA-N 365.437 4.590 0 40 FJAB CC(C)Oc1c(Cl)cccc1NC(=O)Nc1nnc(C2CC2)s1 72287966 VXOGGPPJVXOGFL-UHFFFAOYSA-N 352.847 4.500 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@@H](Nc2ccccc2)C1 84017133 YRLYYKKZKGRWGC-GOSISDBHSA-N 366.896 4.521 0 40 FJAB O=C(c1nccc2ccccc12)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166372 VRMVVODKAOTBEN-PMACEKPBSA-N 360.432 4.925 0 40 FJAB Cc1ccc(N2C(=O)C[C@@H](SCc3ccc(Cl)cc3)C2=O)c(C)c1 102223875 XGAJUQRIYNAUIB-QGZVFWFLSA-N 359.878 4.522 0 40 FJAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)OC(C)=O 104393127 IVVBEYNQFBGHBA-VJFDXUIRSA-N 370.489 4.790 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222627408 NNTBLHCPUHCPHG-SFHVURJKSA-N 371.820 4.579 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223245698 WELNNBRDERGTAO-GJZGRUSLSA-N 357.881 4.782 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)Cc1ccccc1 223552178 SDGKRIVDVQDJCZ-QGZVFWFLSA-N 353.506 4.889 0 40 FJAB CCSc1ccccc1C(=O)NCCOc1cccc2ccccc12 223558430 UHWIOMLEMPMQAW-UHFFFAOYSA-N 351.471 4.761 0 40 FJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(F)c1 224955140 XCOZFTPEDTUJDD-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB COC(=O)c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc12 226360089 FENXGTPBDRREGD-UHFFFAOYSA-N 360.182 4.590 0 40 FJAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCCC5)cc4)OCC[C@@]3(C2)[C@@H]1O 257272311 NBXLMZQEUKYOPW-QWXUBURKSA-N 355.522 4.552 0 40 FJAB CC(=O)N[C@@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257297109 RFWYZZSZNWJGEW-FXJWEYNDSA-N 369.427 4.866 0 40 FJAB CC(C)N1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 409058995 NVSRFVCQMADTTE-WQRHYEAKSA-N 371.433 4.849 0 40 FJAB CCc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409148598 YTQDFHOWCMLBLQ-XDJHFCHBSA-N 351.471 4.918 0 40 FJAB CC(C)N(C(=O)c1cc(-c2ccccc2)no1)[C@H]1CCCc2cccnc21 585080013 RGOVPAVBNWFALO-IBGZPJMESA-N 361.445 4.665 0 40 FJAB CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1cccc(Cl)c1 860584 GHTWLZYRRTXYJI-FQEVSTJZSA-N 350.805 4.732 0 40 FJAB CCc1nc(SCC(=O)Nc2ccccc2Cl)c2ccccc2n1 1332520 RTWKEQGMYYTQIZ-UHFFFAOYSA-N 357.866 4.576 0 40 FJAB Cc1ccc(O)c(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1 1428336 DIKWXVADSKKSMJ-UHFFFAOYSA-N 359.447 4.938 0 40 FJAB O=P1([C@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)OCCCO1 3149600 JNLZKYAXBGIADU-INIZCTEOSA-N 353.742 4.786 0 40 FJAB CCN(C(=O)CSc1ncnc2sc(C)c(C)c12)C1CCCCC1 3254117 AOWRXUXWXRGSDV-UHFFFAOYSA-N 363.552 4.581 0 40 FJAB C[C@@]1(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)CC1(Cl)Cl 3270248 GTGVWYSXYYMSIO-WMZOPIPTSA-N 363.240 4.738 0 40 FJAB Cc1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C 3491041 OQRODWLIUBNBSG-UHFFFAOYSA-N 372.563 4.574 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 3893258 RQALIKZJVDFUCY-UHFFFAOYSA-N 355.397 4.685 0 40 FJAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 4033279 VPMURRGKTNOQEZ-GOSISDBHSA-N 361.489 4.919 0 40 FJAB COC(=O)c1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 5025733 SINCEDXJVDAVLR-UHFFFAOYSA-N 359.407 4.575 0 40 FJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cccc2ccccc12 5099282 IADNFAAYPGRCRO-UHFFFAOYSA-N 370.452 4.781 0 40 FJAB CC(C)C(=O)NCCCc1nc2ccccc2n1CCC1CCCCC1 6657749 FCDNNIOSRYKCQR-UHFFFAOYSA-N 355.526 4.712 0 40 FJAB CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccc(Cl)cc1 6743878 SHAHKNKDSVIIBQ-UHFFFAOYSA-N 370.840 4.752 0 40 FJAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2cccs2)cs1 7532988 FMSPTACUDZZFTM-UHFFFAOYSA-N 372.471 4.555 0 40 FJAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)cc1 8372040 MKAHKKGCEWNSSE-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1C[C@H]1c1ccccc1Cl 9221306 FVYWHNMZQUCIEI-UONOGXRCSA-N 355.850 4.601 0 40 FJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCC1)c1ccncc1 10541463 ILHSIYOTAPJWHV-UHFFFAOYSA-N 363.383 4.733 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12620157 BXNHUJGFQBOENZ-UHFFFAOYSA-N 352.409 4.923 0 40 FJAB O=C(CN(Cc1ccccc1)C1CC1)NC1c2ccccc2-c2ccccc21 12772932 GVUVXRKPXJKFGL-UHFFFAOYSA-N 368.480 4.537 0 40 FJAB COc1cccc2cc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)oc12 13693084 QJRQXGJILQJQBR-UHFFFAOYSA-N 368.820 4.549 0 40 FJAB CCCn1nc(NC(=O)c2cccc(C)c2)c2cc3cc(OC)ccc3nc21 17250292 ALUMYHQTZJCHKI-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB Cc1cc(NC(=O)c2c(-c3ccccc3)noc2C)n(-c2ccccc2C)n1 18194999 XKTWLNYKFZCLIS-UHFFFAOYSA-N 372.428 4.705 0 40 FJAB COc1ccc(CN2C(=O)CS[C@@H]2c2cccc(Cl)c2Cl)cc1 19927140 VKNGQFXBTAEBBX-QGZVFWFLSA-N 368.285 4.776 0 40 FJAB CN(Cc1nc(O)c2sccc2n1)C(c1ccccc1)c1ccccc1 21841895 MYTGLUPBFKQVGX-UHFFFAOYSA-N 361.470 4.618 0 40 FJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSc1ccc(C)cc1 22522594 QDWXZLAOZHSXEU-FQEVSTJZSA-N 357.519 4.678 0 40 FJAB Fc1cccc(-c2nc(COc3ccc(Br)cc3F)co2)c1 26034834 FMTZDHSNNBBOTR-UHFFFAOYSA-N 366.161 4.961 0 40 FJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1c(F)cccc1F 28220934 GJHLMEQSPMKMKS-UHFFFAOYSA-N 363.367 4.615 0 40 FJAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C2CCCC2)n1 28305829 HLZXNQFDWWHAEL-UHFFFAOYSA-N 368.264 4.631 0 40 FJAB O=C1CSc2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 28527621 QMIVWMKXNYGYTI-UHFFFAOYSA-N 353.230 4.664 0 40 FJAB Cc1cc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)cc(C)c1Cl 31903629 DLQYSXIZAAOIAM-MRXNPFEDSA-N 370.880 4.624 0 40 FJAB Cc1nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)n(C2CC2)c1C 32894167 OPGZTGLTGDRSNO-ZDUSSCGKSA-N 369.490 4.551 0 40 FJAB C[C@H](c1ccccn1)N(C(=O)COc1ccccc1-c1ccccc1)C1CC1 40146229 FQYFEVXZLIQNNQ-GOSISDBHSA-N 372.468 4.880 0 40 FJAB CC1CCN(C(=O)Cc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1 41127145 JUBCVSVLEJOHCO-UHFFFAOYSA-N 368.864 4.949 0 40 FJAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 45890969 YJQQRXXVKDWTRS-UHFFFAOYSA-N 355.507 4.509 0 40 FJAB Cc1nc(C)c([C@@H](C)NC(=O)N2CCCCC[C@@H]2c2ccncc2)s1 57282944 JWEQERWQADIQNL-RHSMWYFYSA-N 358.511 4.543 0 40 FJAB COc1cc(Nc2ncnc3ccc(Cl)cc23)c(OC)cc1Cl 57519771 FYGHELDNGGFCAX-UHFFFAOYSA-N 350.205 4.697 0 40 FJAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)C[C@@H](c2ccccc2)O1 65522954 MENIKPIISWCXNA-VFNWGFHPSA-N 365.404 4.688 0 40 FJAB O=C([C@@H]1C[C@H]1c1ccccc1F)N(Cc1ccco1)c1cccc(F)c1 84501917 WPSZKJOWVMIXJS-RBUKOAKNSA-N 353.368 4.895 0 40 FJAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1OCCc2ccccc21 95432516 IIYMXQTVKZPOTF-LJQANCHMSA-N 360.438 4.702 0 40 FJAB CN(Cc1ccc(Cl)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951870 ARARJJISSMNJMD-DZGCQCFKSA-N 362.709 4.798 0 40 FJAB CC(C)[C@@H](NCc1ccc(Cl)cc1Br)c1ccncc1 95971805 KFIOAVAOSBSMFM-MRXNPFEDSA-N 353.691 4.984 0 40 FJAB CC1=C(C(=S)Nc2ccccc2)[C@@H](c2cccc3ccccc23)NC(=O)N1 100857985 DJRKHQGOLLALOC-HXUWFJFHSA-N 373.481 4.907 0 40 FJAB COc1cccc(NC(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)c1OC 211080815 VNKNWXPCXICTOM-INIZCTEOSA-N 372.440 4.645 0 40 FJAB Cc1cc(OCC(=O)n2c(C)c(C=O)c3ccccc32)cc(C)c1Cl 216788050 LRZDPWCRGHEFPU-UHFFFAOYSA-N 355.821 4.752 0 40 FJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222942334 FNSYTWCNJRJJIV-UXHICEINSA-N 368.550 4.627 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(C)c1 223026873 YMJLHWUBSGOWRV-HXUWFJFHSA-N 359.897 4.863 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223083748 HKPOITAAGKHOAB-VGSWGCGISA-N 351.490 4.909 0 40 FJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)ccc1F 224888415 OQGSLJCGBGQLPA-MSOLQXFVSA-N 369.490 4.768 0 40 FJAB O=C(Cc1ccccc1Cl)NCCSCc1cccc(Cl)c1 225434967 REAUUOYIPLXNOV-UHFFFAOYSA-N 354.302 4.586 0 40 FJAB COc1ccc(NC(=S)NC2(c3ccco3)CCCC2)c2cccnc12 225877528 MKDHXRREIZSDIY-UHFFFAOYSA-N 367.474 4.592 0 40 FJAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(CSCCN)[C@@]3(C)CC[C@H]12 253596371 QNALNJDVSSJNFL-CUCLYRJJSA-N 365.627 4.842 0 40 FJAB Cc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(Cl)cc2)n1C 409207780 ZVOKLBZKLJHRJQ-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB Clc1cc2c(s1)CC[C@@H]2NCc1ccc(Oc2cnccn2)cc1 574964605 MQVFISAZDYCQIA-HNNXBMFYSA-N 357.866 4.761 0 40 FJAB Cc1ccccc1CN(Cc1cccnc1)Cc1cccc(O)c1Cl 646196865 DRWDLNIUJXYDHM-UHFFFAOYSA-N 352.865 4.951 0 40 FJAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1 1775978470 SCNFHIPAFHFNSP-PMACEKPBSA-N 365.498 4.759 0 40 FJAB COc1ccccc1C(=O)Oc1ccc2cc(Br)ccc2c1 682981 VYVVDHPKFKOVSN-UHFFFAOYSA-N 357.203 4.830 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 843690 UECOXFXEZQONQE-VAWYXSNFSA-N 357.365 4.705 0 40 FJAB biogenic Cc1ccc(Cl)cc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 2159293 LGCKYYCZPKNDOJ-UHFFFAOYSA-N 355.821 4.728 0 40 FJAB biogenic Cc1cccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 2304544 BEJDFUGVZRTDGM-UHFFFAOYSA-N 374.853 4.723 0 40 FJAB Cc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1 2631482 SBLCCDDLDVHSBC-UHFFFAOYSA-N 373.286 4.712 0 40 FJAB Cc1cccc(C)c1N1CCc2cnn(C(=O)c3cccc(Cl)c3)c21 3098096 WHJHDNGFHAXZSB-UHFFFAOYSA-N 351.837 4.536 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(Sc4ccc5c(c4)OCCO5)c23)C1 3458150 JLFPFOZUQQXGFR-NSHDSACASA-N 370.499 4.739 0 40 FJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCc2ccccc21 3662200 VUGVDKJMLAUGQH-UHFFFAOYSA-N 355.503 4.876 0 40 FJAB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 4843931 RONWUDVZHQVPNE-UKRRQHHQSA-N 360.479 4.666 0 40 FJAB C[C@@H](Nc1cccc(Br)c1)C(=O)Nc1ccc(F)cc1Cl 5701296 XVVBOVDOOKBIFP-SECBINFHSA-N 371.637 4.681 0 40 FJAB CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 6440488 XHZXWUQRNMWRQV-MDWZMJQESA-N 353.321 4.632 0 40 FJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cncn1-c1ccccc1 6610257 WKSPJTVHNYVGAV-OUKQBFOZSA-N 366.424 4.690 0 40 FJAB Cc1cc(C)c2nc(SCC(=O)Nc3cccnc3Cl)cc(C)c2c1 6623650 UOHLILDLKSXJAI-UHFFFAOYSA-N 371.893 4.939 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 6651632 IUVKTIIOYXQISU-MRXNPFEDSA-N 371.440 4.944 0 40 FJAB COc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)c1 6753114 NAMDKMXDPCYHJQ-UHFFFAOYSA-N 362.404 4.811 0 40 FJAB Cc1cccc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)c1 7391879 YTWMAHRZWIDKJO-UHFFFAOYSA-N 371.893 4.624 0 40 FJAB Cc1ccc2cc(COC(=O)[C@@]3(C)CC3(Cl)Cl)c(Cl)nc2c1 10863528 ITHMKSRJEFUYMQ-OAHLLOKOSA-N 358.652 4.824 0 40 FJAB CSc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 11326400 OXMQZKFBBMAOKI-UHFFFAOYSA-N 374.412 4.913 0 40 FJAB Cc1cc(C)c(NC(=O)COc2ccc(Oc3ccccn3)cc2)c(C)c1 12522353 HPOZHRHWWLZVGJ-UHFFFAOYSA-N 362.429 4.817 0 40 FJAB Cc1csc(N(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)n1 12934461 KVWVGVJXKFMTIU-KRWDZBQOSA-N 370.861 4.773 0 40 FJAB Cc1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c1 12980337 USKZEDKVFICUFF-HXUWFJFHSA-N 354.450 4.513 0 40 FJAB CN(Cc1ccccc1Cl)Cn1nc(-c2ccccc2F)oc1=S 13073808 HTCXMSUOLXBIHI-UHFFFAOYSA-N 363.845 4.755 0 40 FJAB CCCn1ncc(CN(Cc2ccc(CC)cc2)Cc2cccnc2)c1C 13569115 YMEOWXBFHMUMRF-UHFFFAOYSA-N 362.521 4.761 0 40 FJAB COc1cccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1 14231011 KJTXTUQBXVNYHJ-UHFFFAOYSA-N 350.443 4.834 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 14258286 UNGLFMCZTRFSBD-UHFFFAOYSA-N 360.624 4.916 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 14582685 MTFGMUHBVFOYBW-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1F 19798616 MKFXRDRTYINIFI-RQZCQDPDSA-N 352.390 4.544 0 40 FJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1 20493100 NBUPCNBRCJFIPD-IBGZPJMESA-N 353.849 4.967 0 40 FJAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 27685825 YPRHIDDISGSWPI-BFUOFWGJSA-N 359.853 4.686 0 40 FJAB Cc1nc2cc(C(=O)Nc3ccc4c(c3)CCO4)ccc2n1-c1ccccc1 30371816 IUWDLOQRFMBNLU-UHFFFAOYSA-N 369.424 4.521 0 40 FJAB Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 32900318 SIHIEHNANFOJCJ-INIZCTEOSA-N 362.429 4.674 0 40 FJAB CC(C)c1nc2cc(NC(=O)c3cc(Cl)c4c(c3)OCO4)ccc2o1 33216819 PKLPAZMTMPMUHP-UHFFFAOYSA-N 358.781 4.586 0 40 FJAB C[C@@H](NC(=O)c1sc2ncccc2c1-n1cccc1)c1ccc(F)cc1 33298000 BSQOXHSUXIXTRR-CYBMUJFWSA-N 365.433 4.717 0 40 FJAB COc1ccc2cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)[nH]c2c1 40059498 HIRKUWUBFAIPAV-UHFFFAOYSA-N 372.827 4.774 0 40 FJAB Cc1ccc(CN(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)o1 44774737 PYVPKUXUTOJNAX-SJORKVTESA-N 366.486 4.906 0 40 FJAB Cc1cccc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 72375272 HZMFECFILUAHKF-SFHVURJKSA-N 350.491 4.927 0 40 FJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72379073 AZHMFIVJABZGPM-FQEVSTJZSA-N 364.468 4.867 0 40 FJAB O=C(c1ccc(Cl)s1)N1CCC(CSCc2ccco2)CC1 85472473 PKGDZFYKBPBZRX-UHFFFAOYSA-N 355.912 4.780 0 40 FJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3OCC3CC3)cc2)n1 95400157 DDCWTDXWYZBHIZ-UHFFFAOYSA-N 361.445 4.530 0 40 FJAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 106697108 PNVJXGBVNGHCQU-YVLHZVERSA-N 358.438 4.500 0 40 FJAB CCN(Cc1nc2ccccc2s1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106928373 FGWKVWAHBHICAB-IEBWSBKVSA-N 365.546 4.954 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222978153 IGCITRZYQQJTDH-VGOFRKELSA-N 351.490 4.909 0 40 FJAB COc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1OC 223264290 JJWACKLCXBZQEI-OAHLLOKOSA-N 371.477 4.635 0 40 FJAB CC(C)(C)SCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225352305 KCCQUZOSDUEMQT-UHFFFAOYSA-N 352.569 4.826 0 40 FJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)Nc1ccc(F)cc1 225626546 BVYDFNIVNYZROW-UHFFFAOYSA-N 362.364 4.981 0 40 FJAB O=C(O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226340198 OZORNAZDPOAUMJ-UHFFFAOYSA-N 359.578 4.519 0 40 FJAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 257321954 WEBHFOLIZHNEOU-GOSISDBHSA-N 370.456 4.583 0 40 FJAB Cc1nc2ccc(NC(=S)N3CC[C@@H](c4ccccc4)C3)cc2s1 408978239 LYVOXBDFVRULML-OAHLLOKOSA-N 353.516 4.791 0 40 FJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1OC(F)F 1253975836 GWRDOFGJJLDZDZ-VIFPVBQESA-N 366.364 4.528 0 40 FJAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952272 VFWWPLZTJBHPCO-GJZGRUSLSA-N 366.413 4.569 0 40 FJAB biogenic CC(C)c1nc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc2n1 1342895 XEOYPQIJEMVTIO-GASCZTMLSA-N 357.523 4.635 0 40 FJAB CC(C)OC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl 1355109 COINRBMMLWEZSS-UHFFFAOYSA-N 365.260 4.900 0 40 FJAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 2402481 MUGXOJKXNDEPMT-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2s1 3602829 FSPGAQQJSWIMGT-AWEZNQCLSA-N 356.516 4.526 0 40 FJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccc(C)cc1 4064900 MRYHAXJYGJIWLN-XWGVYQGASA-N 365.517 4.872 0 40 FJAB biogenic Cc1ccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)s2)cc1 4072406 MLDKPGXIKGXIBY-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB CCCCS/C=C1\CCCC(C)(C)[C@]1(O)CSc1nccn1C 4114384 FPKRRRKCOHSCJI-DUVHGLKDSA-N 354.585 4.871 0 40 FJAB NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Oc2ccccc2)c1 4135047 VZOIJPYYICYWCR-UHFFFAOYSA-N 372.380 4.576 0 40 FJAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1C 5012206 RLNPYYDSFHPWQT-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB CCN(CC)CCCNCC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1 5347785 WIXKOACSCLQHFO-XZOQPEGZSA-N 374.613 4.995 0 40 FJAB CCOC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)OC(C)(C)C)c1ccccc1 5716966 PVOBBYSKDRJEKA-PZJWPPBQSA-N 368.473 4.849 0 40 FJAB Cc1coc2cc3oc(=O)c(CC(=O)NC4CCCCCC4)c(C)c3cc12 6623710 MGVOGLQJKQOMTI-UHFFFAOYSA-N 367.445 4.538 0 40 FJAB biogenic CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 6657350 ASFMMFDAUOWGHP-GZTJUZNOSA-N 355.415 4.596 0 40 FJAB CCc1ccccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 7318995 XBNXVIARUXYNOE-UHFFFAOYSA-N 371.440 4.728 0 40 FJAB O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F 7497690 QBJYPXVVQYMGBV-UHFFFAOYSA-N 366.417 4.745 0 40 FJAB Cc1cc(C)cc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 7580418 BEGWYYTUGBOPFF-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 7929403 NQPKSOULQMJVDP-HUUCEWRRSA-N 371.864 4.812 0 40 FJAB O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1C[C@@H]1CCCO1 9368291 CUNXJVQATBKUQX-SIKLNZKXSA-N 358.441 4.585 0 40 FJAB C[C@H]1C[C@@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1 9467520 OWNGVZAFGPRPBY-XJKSGUPXSA-N 350.443 4.540 0 40 FJAB CN(CCc1ccccn1)C(=O)c1cc(-c2cccs2)nc2ccccc12 12601600 TXSKEVALSUGAKH-UHFFFAOYSA-N 373.481 4.673 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccccc3OC)ccc2c1 12942466 QACPLTXPJYTSSY-JKSUJKDBSA-N 363.457 4.838 0 40 FJAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@H](C)c3ccccc3)cc12 12998567 NCEBHBPPAOQHCA-OAHLLOKOSA-N 355.507 4.895 0 40 FJAB CCc1c(-c2ccc(OC)c(OC)c2)noc1-c1ccc(OC)c(OC)c1 13640881 FOIHZVWYXBQRPX-UHFFFAOYSA-N 369.417 4.605 0 40 FJAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 14076675 UBVFOEUKPBFPFG-UHFFFAOYSA-N 354.837 4.552 0 40 FJAB O=C(/C=C/c1cccc2cccnc12)OCCOc1ccccc1Cl 14811733 SHEITRQJHJQUPX-ZHACJKMWSA-N 353.805 4.524 0 40 FJAB O=C(CSc1nnc(-c2cccs2)o1)C12CC3CC(CC(C3)C1)C2 18329091 RQXMHQXBMWGURK-UHFFFAOYSA-N 360.504 4.676 0 40 FJAB C1=CC[C@@H](CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 19889687 RCKJJKBCKGESQF-OAQYLSRUSA-N 362.517 4.953 0 40 FJAB CSc1nc(SCc2ccccc2)c2c3c(sc2n1)CN(C)CC3 20358689 SWBVYDJAQGMSDF-UHFFFAOYSA-N 373.572 4.693 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccccc3)on2)o1 21524145 BMKNVGPIHIKFDZ-UHFFFAOYSA-N 362.385 4.679 0 40 FJAB O=C(CSc1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 23193460 JFVJFSCHOXJMBE-CYBMUJFWSA-N 374.556 4.856 0 40 FJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1 28574342 OAUOFESCOFHEQX-UHFFFAOYSA-N 364.207 4.630 0 40 FJAB CCc1noc(COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)n1 29138207 AQOBURCAGZZKPD-UHFFFAOYSA-N 373.412 4.513 0 40 FJAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33657172 DXOQOTUBUNBPKX-UHFFFAOYSA-N 363.413 4.992 0 40 FJAB CCOC(=O)c1sc2cc(Br)ccc2c1-n1cccc1 44676170 VGCQHUXEXQUEME-UHFFFAOYSA-N 350.237 4.631 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1 44905901 ZSGFEKSKZACRQP-IBGZPJMESA-N 350.506 4.780 0 40 FJAB O=C(/C=C/c1cscn1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 50357274 OSJAFUKAJJRDGZ-IHHMQQGQSA-N 370.424 4.535 0 40 FJAB CC(=O)Nc1cc(NC(=O)c2ccccc2Nc2ccccc2)ccc1C 53612011 DXASVRLVKTUQGD-UHFFFAOYSA-N 359.429 4.949 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)c1 59351452 MOTLLABMCIAPPY-CYBMUJFWSA-N 352.261 4.866 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 72396521 JJTXZJHQNNQFSF-UHFFFAOYSA-N 367.449 4.584 0 40 FJAB Brc1cc(-c2nc3ccccc3[nH]2)sc1Br 95094735 WNRVUPOOVYVKQT-UHFFFAOYSA-N 358.058 4.816 0 40 FJAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1F 96171227 PRNZKCXDOAQMJQ-UHFFFAOYSA-N 372.259 4.512 0 40 FJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1 100424406 YJKJUICGTSPQJT-PMACEKPBSA-N 371.594 5.000 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 112161304 HSRZGJTVFYOUOF-UHFFFAOYSA-N 373.815 4.543 0 40 FJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Cl)cc1 216911358 MEFUUMWKLWSXNA-UHFFFAOYSA-N 371.820 4.799 0 40 FJAB CCCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218982705 RVOUVYJIYALJET-LJQANCHMSA-N 353.462 4.816 0 40 FJAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224730974 PBNGVAOUCXJTAI-INIZCTEOSA-N 353.462 4.759 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccccc3)o2)cc1 224855876 ICSPHVMYLGCMJB-MRXNPFEDSA-N 364.445 4.550 0 40 FJAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)c(C)c1 225206705 TUUCWDAYNCENHP-NRFANRHFSA-N 351.490 4.619 0 40 FJAB COc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225355243 WZWHCMOYCNQFML-LBPRGKRZSA-N 352.261 4.812 0 40 FJAB CCCCCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833207 VUAYOWUIFRJESE-UHFFFAOYSA-N 363.461 4.643 0 40 FJAB Cc1cc(NC(=O)N(C)[C@@H](C)c2ccco2)cnc1N1CCCC[C@H]1C 331363048 ABDMIRFHUDNQMB-CVEARBPZSA-N 356.470 4.587 0 40 FJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccc(F)c2)CN1c1cccc(F)c1 1615160322 ZCXLMNUAKWYDOM-JOCHJYFZSA-N 370.443 4.629 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 1329928 ZDTSKTWFHRVPMW-SFHVURJKSA-N 371.868 4.592 0 40 FJAB Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccccc1 1405182 OZIKMXQYRQENKZ-UHFFFAOYSA-N 357.812 4.577 0 40 FJAB Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)cc3Cl)c2n1 2060605 SZGSFJPYRKFBSW-UHFFFAOYSA-N 368.241 4.618 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccncc2)cs1 2661351 OWBVRAFFZGPASI-UHFFFAOYSA-N 373.865 4.655 0 40 FJAB Cc1nn(-c2ccc(Cl)cc2)c2nc(-c3cccs3)cc(C(=O)O)c12 3298703 CHGOIJWJFWHQIB-UHFFFAOYSA-N 369.833 4.809 0 40 FJAB CCCCc1ccc(N[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 3647956 IYVGOOJRPLDXCN-SFHVURJKSA-N 354.475 4.976 0 40 FJAB COc1ccccc1C(=O)Nc1nc2c(cc3c4c(cccc42)CC3)s1 3893248 JZADOLPNRMDQHG-UHFFFAOYSA-N 360.438 4.809 0 40 FJAB C1CCCC(N2N=N[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3[C@@H]2N=NN3C2CCCCCC2)CC1 4886815 ZAYCNUZFVDXKPF-LEZSPFLNSA-N 370.545 4.922 0 40 FJAB O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256063 OIROUBZOSQAKIQ-IBGZPJMESA-N 351.837 4.779 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)o2)cc1 5434760 XYYAUYAUDKGAEA-CQSZACIVSA-N 367.474 4.727 0 40 FJAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NCc1cccnc1 6045121 HHHPUEOVMSMXLU-VQHVLOKHSA-N 373.239 4.978 0 40 FJAB O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1c(Cl)cccc1Cl 6480225 XJTALSQGRPSQKS-NTUHNPAUSA-N 353.230 4.558 0 40 FJAB COc1ccc(F)cc1CSc1nnc(C2CC2)n1Cc1ccccc1 6531942 AWLBBJFYVDHCBE-UHFFFAOYSA-N 369.465 4.644 0 40 FJAB c1ccc(-n2nnnc2Oc2ccc(-c3nc4ccccc4s3)cc2)cc1 6561172 IFSGATBJTOTSPK-UHFFFAOYSA-N 371.425 4.731 0 40 FJAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)OC(C)=O 8622622 IVVBEYNQFBGHBA-LHGONGGSSA-N 370.489 4.790 0 40 FJAB COc1cccc(OC)c1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 9141816 FOBZVBLQNNRNBE-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 10275166 FLAOGHJSKFCALM-DJJJIMSYSA-N 358.869 4.860 0 40 FJAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 11914552 NGMMIIRSXDSXOG-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCC(Cc2ccccc2)CC1 12321312 ODDLUCWQCSBHJF-QFIPXVFZSA-N 362.473 4.557 0 40 FJAB COc1ccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1F 12771853 IMPHMFDSPZRUKG-UHFFFAOYSA-N 365.404 4.686 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1Cl 12772299 KNUKJVWZNJZMQA-MRXNPFEDSA-N 356.897 4.817 0 40 FJAB Cc1ccc([C@H](NC(=O)CCc2c(C)noc2C)c2ccccc2)cc1C 12790530 ITSKZQLGUWEDSB-HSZRJFAPSA-N 362.473 4.747 0 40 FJAB O=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13061894 CNPSMQPXDPPVIZ-UHFFFAOYSA-N 368.321 4.539 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCSCc2ccccc2)cc1 13688159 VKQZZLXFBOFTGM-UHFFFAOYSA-N 371.502 4.906 0 40 FJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1F 13758772 KDSGEFWXLQJWCW-WWPVKYPJSA-N 369.480 4.703 0 40 FJAB COc1ccc(-c2nnc(SCC(=O)C3CCCCC3)n2C(C)C)cc1 14085740 FLWYFCUPGWVZEW-UHFFFAOYSA-N 373.522 4.776 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 15357629 RKQZOMYPTUDWEC-GFCCVEGCSA-N 366.230 4.611 0 40 FJAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)cc1 16524640 OPCTUTHLNXVMSD-FPOVZHCZSA-N 361.832 4.977 0 40 FJAB CCCCC[C@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CCCCC 17076364 JVSCVMQWDNRXDB-HDICACEKSA-N 372.619 4.670 0 40 FJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccccc1 20611126 UHPQTZWRCMXRDT-KPKJPENVSA-N 372.403 4.520 0 40 FJAB COc1ccc(-c2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1OC 27752779 ZOTACLSUTWXWJH-UHFFFAOYSA-N 369.446 4.780 0 40 FJAB Cc1ccc2nc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)sc2c1 30572602 MMNZHVCUVRPIMN-UHFFFAOYSA-N 374.469 4.920 0 40 FJAB CCOc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 32609712 DCMFHGQXTVZWCS-UHFFFAOYSA-N 363.461 4.508 0 40 FJAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc2c(F)cccc2s1 32817266 AWEBVQBVAYUTCE-UHFFFAOYSA-N 351.406 4.538 0 40 FJAB CCc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39754506 UHMBMRFTCRRHMI-UHFFFAOYSA-N 356.897 4.753 0 40 FJAB CC(C)c1noc(CCCC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)n1 40134267 VREVGHQSHYCLNM-KRWDZBQOSA-N 357.498 4.809 0 40 FJAB CN(Cc1ccccc1)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 54105941 RDYXMKZHLUIDJB-UHFFFAOYSA-N 371.436 4.798 0 40 FJAB biogenic COCc1c(C(=O)Nc2cnc(C(C)(C)C)nc2)sc2cccc(F)c12 65514735 BDUUXYUJGBQQNG-UHFFFAOYSA-N 373.453 4.527 0 40 FJAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nc(-c2ccccc2)ns1 65803901 PAKGQNKOFZVTDX-LLVKDONJSA-N 374.416 4.708 0 40 FJAB Cc1ccc(C)c([C@@H](NC(=O)c2ccc(Cl)cc2)c2cccnc2)c1 72242832 PVQVXXBASNEYMZ-FQEVSTJZSA-N 350.849 4.871 0 40 FJAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccccc3Cl)C2)n1 72369932 WIHWMIWOOCZBEQ-INIZCTEOSA-N 353.853 4.688 0 40 FJAB Cc1ccncc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 78507271 AJLDZFJFZUIMIO-UHFFFAOYSA-N 370.408 4.724 0 40 FJAB CCC(=O)Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 82086500 YRNBVUFFIQWPBS-UHFFFAOYSA-N 374.893 4.840 0 40 FJAB CCCC[C@@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96113982 NYWWAIACGJVGOL-DENIHFKCSA-N 367.574 4.948 0 40 FJAB biogenic O=C1CCCN1c1ccccc1NCc1csc(-c2ccccc2F)n1 176903457 ORYVJRFQXVHXIW-UHFFFAOYSA-N 367.449 4.688 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(C(C)C)cc1 219571030 GHKJZIWRXBGMMR-FQEVSTJZSA-N 369.505 4.725 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2OC(C)C)cc1 219743200 UWJUFVLCEUCHJZ-FQEVSTJZSA-N 355.478 5.000 0 40 FJAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223272996 BPRIQQGFUFVXIN-HNNXBMFYSA-N 371.477 4.635 0 40 FJAB COc1ccc(CCC(=O)NCCCc2cccc3ccccc23)cc1C 223631720 XFVBANBDRBYZST-UHFFFAOYSA-N 361.485 4.838 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)CCc2ccc(Cl)cc2Cl)c1 224112830 CLVPEPWNLMTXMO-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB Cc1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)c(C)c1 224280269 SXVXXCFERGZRQN-UHFFFAOYSA-N 373.496 4.897 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225477484 DXYALBQBKKVEHO-INIZCTEOSA-N 370.518 4.836 0 40 FJAB CCOc1ccccc1NC(=S)NCCCSCc1ccccc1 225596890 UEHSKCXXYZNNEW-UHFFFAOYSA-N 360.548 4.695 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1C 225707448 BBCVECFTKHBONC-MRXNPFEDSA-N 370.518 4.836 0 40 FJAB Cc1cc(C)nc(Nc2cccc(C(=O)N(C)c3ccc(C)c(C)c3)c2)n1 225914916 IIAASCUKOJQEDJ-UHFFFAOYSA-N 360.461 4.730 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NCCc1ccc(-c2ccoc2)s1 390829621 FLGNDXRFBKWLCZ-UHFFFAOYSA-N 363.841 4.702 0 40 FJAB Cc1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)cc1 408527016 DRMWGOCNLTWSBN-UHFFFAOYSA-N 356.425 4.549 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(C)cc1 408564131 YDMQKTYDWBLLNK-LNVKXUELSA-N 368.477 4.988 0 40 FJAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(C)=O)c3)nc2c1 408628724 WMNKUZCEBNAIHR-UHFFFAOYSA-N 373.865 4.544 0 40 FJAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cccc2ccccc12 618256652 VKJCDFXHHXJOFF-FQEVSTJZSA-N 351.471 4.799 0 40 FJAB CCOc1ccc2nc(SCC(=O)OC3CCCCC3)c(C)cc2c1 887560 FZXBZAMBVRNBTR-UHFFFAOYSA-N 359.491 4.910 0 40 FJAB Cc1ccc(-c2c(C)sc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1 937687 MOYZJEIGTIRPEP-UHFFFAOYSA-N 374.465 4.625 0 40 FJAB Cc1ccc(-c2c[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 1224338 GMZXRFWPZWEGFO-UHFFFAOYSA-N 357.866 4.769 0 40 FJAB CCCCOc1ccc([C@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 1829740 BHWJEAFQJWQLOS-GOTSBHOMSA-N 353.506 4.779 0 40 FJAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 2349253 VSAXPJXICLJQKK-UHFFFAOYSA-N 362.816 4.715 0 40 FJAB COc1cc2nc(-c3ccccc3)nc(N3CCC[C@H](C)C3)c2cc1OC 2357367 GZJQFKZLTQHEHA-HNNXBMFYSA-N 363.461 4.550 0 40 FJAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)s1 2662152 OWIKNZFPRGTZBZ-UHFFFAOYSA-N 363.891 4.793 0 40 FJAB c1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 2688937 POVYDLRZMJCNCL-UHFFFAOYSA-N 351.413 4.557 0 40 FJAB COc1cccc2cc(-c3cn(-c4ccc(C)cc4)c(=S)[nH]3)c(=O)oc12 2957849 KHLZSJWXUYBECL-UHFFFAOYSA-N 364.426 4.625 0 40 FJAB O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccc(Cl)cc1Cl 4060030 BDNUYWRQHSSDBC-RMKNXTFCSA-N 357.240 4.769 0 40 FJAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccs1 4909757 VOZOVUNMDBSWMO-QGZVFWFLSA-N 357.866 4.747 0 40 FJAB Cc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1 5532266 ZGUBWTAIYFEGBJ-UHFFFAOYSA-N 360.442 4.622 0 40 FJAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](CC)C4)N2)ccc1O 5984976 IDKNQQFIIMRUII-BBATYDOGSA-N 372.490 4.796 0 40 FJAB C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 6279462 RLVITBQATFALHX-SDNWHVSQSA-N 352.434 4.915 0 40 FJAB CCCOc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1OCCC 7045910 MHPQCLBBZAFUSD-UHFFFAOYSA-N 370.474 4.626 0 40 FJAB O=C1c2ccccc2N[C@@H](c2cnc3ccccc3n2)N1c1ccc(F)cc1 7363707 DUGIRUVJWKBYSX-OAQYLSRUSA-N 370.387 4.540 0 40 FJAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)Cc2cccs2)c(C)c1 7580510 ORPXGKRLIZZAIO-UHFFFAOYSA-N 368.502 4.907 0 40 FJAB Cn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1cccnc1 8727999 XHKKTOIWCAJIHQ-UHFFFAOYSA-N 374.469 4.962 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 8983011 IYQWCXFDEHASBC-UHFFFAOYSA-N 370.836 4.883 0 40 FJAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 9135018 UBXBRZZREYQXFN-UHFFFAOYSA-N 374.396 4.614 0 40 FJAB C[C@H]1C[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(=O)O1 9467517 OWNGVZAFGPRPBY-BBRMVZONSA-N 350.443 4.540 0 40 FJAB Cc1cc(C)cc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 10290893 AHVVHAVOCJQDFV-OAQYLSRUSA-N 369.461 4.789 0 40 FJAB CCc1ccccc1NC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 12788809 ZOKQWNCPUARRPT-UHFFFAOYSA-N 366.490 4.507 0 40 FJAB COc1cc(C(=O)N(Cc2ccco2)c2ccccc2)ccc1OC(F)F 12866067 DKTVJOGXWYLXNR-UHFFFAOYSA-N 373.355 4.737 0 40 FJAB O=C(NCCSCc1ccco1)c1ccccc1CCc1ccccc1 13688308 TVINKSDRWOZWRY-UHFFFAOYSA-N 365.498 4.728 0 40 FJAB CCOc1cc(Cl)c(S(=O)(=O)Nc2ccc(CC)cc2)cc1Cl 16780611 IROUQKLVEFNXOM-UHFFFAOYSA-N 374.289 4.755 0 40 FJAB Cc1nc(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccc(Cl)cc1 17193658 VDNVALXITTYKSC-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 20110768 PZTGHWXTHRRSCI-NRFANRHFSA-N 353.487 4.906 0 40 FJAB CCOc1ccc(Nc2c(CC)c(C)nc3nc(-c4ccccc4)nn23)cc1 20191290 HACBXMUQKRACJO-UHFFFAOYSA-N 373.460 4.804 0 40 FJAB C[C@@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@H](O)c1ccccc1 22107501 OKUWGZIGRPNPRP-XCLFUZPHSA-N 359.828 4.951 0 40 FJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 22522819 VZHBGTZFNUKATB-IBGZPJMESA-N 374.937 4.560 0 40 FJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCCCC1 24257563 LUIDFOMEGRXQNH-UHFFFAOYSA-N 368.424 4.820 0 40 FJAB 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FJAB CCC[C@H](C(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1 7408217 LNTCXENLAIGIEI-FQEVSTJZSA-N 352.478 4.691 0 40 FJAB Cc1ccc2nc(SCc3nc(-c4cccc(Cl)c4)no3)[nH]c2c1 7676213 XTRNOBBVBGJSJJ-UHFFFAOYSA-N 356.838 4.867 0 40 FJAB O=C(NCc1ccccc1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 8018931 FKCHRVTXBGUPOG-FQEVSTJZSA-N 373.481 4.713 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1)c1ccco1 8705661 AUXPQGVNIDZZMX-INIZCTEOSA-N 366.442 4.571 0 40 FJAB Cc1cc(C)c(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c(C)c1 9573808 ZWNGIFWKIOXVAS-UHFFFAOYSA-N 374.444 4.564 0 40 FJAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)Nc1nccs1 12407951 HRJTUNAPWQRXFY-UHFFFAOYSA-N 370.286 4.755 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(OCc2cscn2)cc1 12819086 LJOHFEVELODVMA-HNNXBMFYSA-N 352.459 4.522 0 40 FJAB Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)c1ccco1 12848412 RUQUXUZOUZGFEF-INIZCTEOSA-N 374.440 4.822 0 40 FJAB Cc1ccccc1OCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)o1 12976797 OGTYBOZBGYTVNA-UHFFFAOYSA-N 353.393 4.545 0 40 FJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 13710455 JJGVTPMUOWNQGC-CQSZACIVSA-N 362.267 4.780 0 40 FJAB Cc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1 19234952 CWMZHZIFRJCPSV-UHFFFAOYSA-N 353.491 4.795 0 40 FJAB CC(C)c1c(C(=O)Nc2ccc(F)c(F)c2)cnn1-c1ccc(F)cc1 24542443 BDVZKIZVDYICKL-UHFFFAOYSA-N 359.351 4.665 0 40 FJAB COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)C2CC2)c(OC)c1 25760869 AHSJBFFRTXANCI-LFYBBSHMSA-N 371.864 4.562 0 40 FJAB CCCCOc1ccccc1C(=O)Nc1cc(-c2ccc(F)cc2)no1 28287521 CONJUKTXSMMRBD-UHFFFAOYSA-N 354.381 4.912 0 40 FJAB Cc1cccc(Oc2ccccc2NC(=O)c2ccc(-n3cncn3)cc2)c1 32727666 AQUWVEIBAQKDHC-UHFFFAOYSA-N 370.412 4.620 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838383 QCOOZTKINGQPEH-HNNXBMFYSA-N 353.425 4.821 0 40 FJAB Cc1csc(SCc2nc(-c3cc(Br)cs3)no2)n1 48356273 ZLKSQHWMJJMHJH-UHFFFAOYSA-N 374.310 4.618 0 40 FJAB O=C(NCCC1=CCCCC1)C1(c2cc(-c3ccccc3F)on2)CC1 56919875 NRCMCVFOXXTMBR-UHFFFAOYSA-N 354.425 4.519 0 40 FJAB COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 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0 40 FJAB COc1cccc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)c1 225110180 PETMTQRLSUAFMW-OAQYLSRUSA-N 364.397 4.562 0 40 FJAB CCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 231431306 GOMHAPYSBPQXIH-UHFFFAOYSA-N 355.544 4.702 0 40 FJAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(C)cc1OC 409112641 FMSBWTIHRHZWTB-UNOMPAQXSA-N 365.473 4.946 0 40 FJAB COc1ccc(Nc2nc(C(=O)N3Cc4ccccc4[C@H]3C)cs2)cc1 543112328 PMCOPEVAJYXKMZ-CYBMUJFWSA-N 365.458 4.612 0 40 FJAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(OC(F)(F)F)c1 1597114043 UFQDNHMCMDCFOJ-SNVBAGLBSA-N 366.364 4.686 0 40 FJAB Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615159860 QAEPTPIOPMLPCI-SFTDATJTSA-N 366.480 4.796 0 40 FJAB Cc1c(O[C@@H](C)C(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 639043 JMYZMTYSWMZVQA-HNNXBMFYSA-N 362.425 4.630 0 40 FJAB biogenic C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 938188 NBKGWALADIQOSR-QNCMIEPLSA-N 364.228 4.577 0 40 FJAB Cc1cc2cc([C@H]3NC(=O)c4ccccc4N3)c(Cl)nc2cc1Cl 1224013 GKBFCMYOSUUTBL-QGZVFWFLSA-N 358.228 4.704 0 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363.482 4.811 0 40 FJAB Cc1cccc(CNC(=O)CSCc2c(Cl)cccc2Cl)c1 10447550 PZPOFYGZDPPRDO-UHFFFAOYSA-N 354.302 4.851 0 40 FJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 12782159 OOAGJIZUQIRUEH-UHFFFAOYSA-N 357.479 4.533 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)s1 12980279 ILFDYKCAAKRVPO-UHFFFAOYSA-N 359.394 4.857 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 12999245 WAZPQNXXXGHHDV-NSHDSACASA-N 357.866 4.658 0 40 FJAB C[C@H]1CN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C[C@@H](C)O1 13759521 AKXANHXHAUVJHK-GASCZTMLSA-N 359.429 4.657 0 40 FJAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Br)o3)nc12 14257998 CYPKBZSTENSLHW-UHFFFAOYSA-N 351.225 4.521 0 40 FJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 14291503 CVJUFDIZLJCRHE-UHFFFAOYSA-N 350.654 4.589 0 40 FJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)ccc21 16744017 VBYKNTJJEZWDJN-GFCCVEGCSA-N 359.878 4.613 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc[nH]2)o1 18365707 XOPMXYWTKHBLKD-QWHCGFSZSA-N 370.478 4.698 0 40 FJAB COc1cc(CN[C@H](C)c2cccc3ccccc23)cc(OC)c1OC 22787565 VSKIWRVDYAAUNU-OAHLLOKOSA-N 351.446 4.716 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 26315625 FMCXMHNYQPNELV-UONOGXRCSA-N 373.884 4.762 0 40 FJAB CC(C)CN(CC(C)C)Cn1nc(-c2cccs2)c2ccccc2c1=O 29502232 VDGUOXIVZJZXSA-UHFFFAOYSA-N 369.534 4.697 0 40 FJAB Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 30754739 PHJDUTCGDQDVPW-VGOFRKELSA-N 363.432 4.807 0 40 FJAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 30944018 AFOYZJURLHQKKB-GOSISDBHSA-N 362.945 4.781 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Cc1ccc2c(c1)OCCO2 32109837 RKVRYRGPLINVOM-UHFFFAOYSA-N 369.804 4.500 0 40 FJAB Cc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c1 36615963 SUJRNUWDUZYWRJ-UHFFFAOYSA-N 370.456 4.657 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 44849214 BHZDGTSPRITJOE-DLBZAZTESA-N 355.478 4.853 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C[C@H]3c3ccncc3)ccc21 58248704 MTQPAAPRNRESIW-AZUAARDMSA-N 355.441 4.952 0 40 FJAB CN(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214205 CHANUPARUNYFNF-NRFANRHFSA-N 357.457 4.827 0 40 FJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72214487 GTAFWVWAHRFTSZ-IBGZPJMESA-N 367.493 4.790 0 40 FJAB O=C([C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1)N1CCCCC1 84519356 PWZJKCOWPHNWTN-LEWJYISDSA-N 368.908 4.671 0 40 FJAB O=C(O)Cc1csc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 95929443 HHWKYLXAVJLBSV-UHFFFAOYSA-N 370.274 4.551 0 40 FJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc(C)c1C 219310290 RGXXSXJJBZRRJR-IEBWSBKVSA-N 367.489 4.798 0 40 FJAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc3ccccc3c2)c2ccccc12 222611798 ONRGXJFLHCYDJH-HNNXBMFYSA-N 373.408 4.689 0 40 FJAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223152735 JOFWNJCPJYOXAF-QGZVFWFLSA-N 353.531 4.903 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2)cc1 224919804 DZKGUNFQHHLPLX-QGZVFWFLSA-N 360.457 4.846 0 40 FJAB CC[C@@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 225717704 FUDWABBFIZMVFY-MRXNPFEDSA-N 358.507 4.758 0 40 FJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)NC1CCCCC1 225754686 VRGPIPMBROMESC-UHFFFAOYSA-N 361.338 4.859 0 40 FJAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225760825 GBKVGMALSYTIGA-LJQANCHMSA-N 370.518 4.774 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2C)cc1OCC 225803491 WBESBZFJZFTLBQ-QGZVFWFLSA-N 355.478 4.521 0 40 FJAB O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 585101412 IXQGACRIGBQQEB-NQYLQCIDSA-N 370.880 4.632 0 40 FJAB FC(F)Oc1ccccc1CN1CCn2cccc2[C@@H]1c1ccccc1 1138908466 RJVNASLWBMCPEX-FQEVSTJZSA-N 354.400 4.695 0 40 FJAB CCc1ccc2nc3sc(C(=O)N4CCCCCC4)c(N)c3cc2c1 1342810 CRQMVRSTAOPKHK-UHFFFAOYSA-N 353.491 4.610 0 40 FJAB CCCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21 2330065 AEMGUAQDSKNUIP-UHFFFAOYSA-N 373.460 4.609 0 40 FJAB c1ccc2nc(-c3nc4c5c6c(sc5ncn4n3)CCCCC6)ccc2c1 2375673 GTLGFOASSVBXSQ-UHFFFAOYSA-N 371.469 4.823 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)Oc1ccc(F)cc1 3117015 WAYWSFCJXMGZJR-UHFFFAOYSA-N 350.123 4.743 0 40 FJAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccccc2F)cc1 3238862 JFMVTWVQVLGPHQ-UHFFFAOYSA-N 363.388 4.597 0 40 FJAB Cc1noc(C)c1COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3316563 JVMKRBPVBIAWGR-UHFFFAOYSA-N 369.804 4.533 0 40 FJAB Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccccc1Cl 5033612 OFAZJWZEBZVPPD-UHFFFAOYSA-N 361.873 4.798 0 40 FJAB O=C(CCCSc1nc2ccccc2[nH]1)N[C@H]1CCCc2ccccc21 5696275 JLHLRTJTDMOSRD-KRWDZBQOSA-N 365.502 4.629 0 40 FJAB O=C1c2ccccc2Oc2nc3ccccc3nc2N1Cc1ccc(F)cc1 5948331 VTKDRTSFTGYNQV-UHFFFAOYSA-N 371.371 4.722 0 40 FJAB c1ccc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 6139906 XGYBZAGCTWLSSZ-UHFFFAOYSA-N 356.501 4.949 0 40 FJAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1cccs1 6648347 KJTNADXQABPYLA-UHFFFAOYSA-N 353.512 4.887 0 40 FJAB CCCCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 6669920 NILBJGOFDSVTRI-INIZCTEOSA-N 367.489 4.806 0 40 FJAB biogenic COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1Br 6846833 CDECAHVTNXHELG-RUDMXATFSA-N 366.642 4.763 0 40 FJAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccccc3F)o2)n1 7192052 LXEVUOBYLSNPCJ-UHFFFAOYSA-N 368.393 4.526 0 40 FJAB O=C(NCc1ccccc1Cl)c1ccccc1COc1ccccc1 8273309 TZDVNGVXDUJZJW-UHFFFAOYSA-N 351.833 4.849 0 40 FJAB O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 8368591 DSJOTQFOLJTQEO-HOTGVXAUSA-N 353.487 4.631 0 40 FJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)cc2)cc1 8476254 IEXCNMQEZJLWLT-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB Cc1ccsc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9514720 FOWWIRZKFBSNGH-OZSKJFCKSA-N 369.486 4.595 0 40 FJAB CCOc1c(Cl)cc(C(=O)NCC2(c3ccccc3)CCC2)cc1OC 11176218 IDMRYELVNBSQQJ-UHFFFAOYSA-N 373.880 4.599 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc2[nH]nnc2c1 11512661 MTZFYCWVSHGFAG-UHFFFAOYSA-N 364.792 4.656 0 40 FJAB CCN1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O 12539645 CUGPEMPLKCLLIC-LJQANCHMSA-N 369.468 4.574 0 40 FJAB CCOc1cc(/C=C/C(=O)Nc2c(C)cccc2C)ccc1OC(F)F 12784859 LVUNIPYQUXXYIP-PKNBQFBNSA-N 361.388 4.955 0 40 FJAB CCc1ccccc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 12915081 OIDKLCKFUPSNGQ-UHFFFAOYSA-N 366.486 4.774 0 40 FJAB O=C(CSCc1cccs1)N1CCC(c2nc3ccccc3o2)CC1 13986124 VQZGTVNXVGEIID-UHFFFAOYSA-N 372.515 4.529 0 40 FJAB O[C@H]1CCCc2c(Oc3nc(C(F)(F)F)nc4ccccc34)cccc21 14140569 RHQDNGSCHOBZOH-HNNXBMFYSA-N 360.335 4.811 0 40 FJAB CCc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3F)o2)cc1 14198908 KYNQGZBJCBPKFO-LBPRGKRZSA-N 371.437 4.557 0 40 FJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1C(=O)c1ccccc1 14506647 OHPRMYBJIBXVGE-UHFFFAOYSA-N 370.452 4.770 0 40 FJAB Cc1csc(N(C(=O)[C@H](C)Oc2ccc(F)cc2)c2ccccc2)n1 14586719 SZOXAEGMTOGMLY-AWEZNQCLSA-N 356.422 4.723 0 40 FJAB COc1cccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 14912294 AAVFRCUPXABRIP-UHFFFAOYSA-N 358.869 4.520 0 40 FJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 15511662 QBZUZNGMDVVMKJ-UHFFFAOYSA-N 363.257 4.785 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 17073397 MDOULFUYLYJLMY-CQSZACIVSA-N 354.812 4.886 0 40 FJAB COc1ccc([C@H]2CCCN2Cc2cnn(C3CCCCC3)c2)cc1OC 19658051 YLPSMKBJTDRUJL-HXUWFJFHSA-N 369.509 4.743 0 40 FJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@H]1Cc2ccccc2O1 21598888 HPHGBPVWRGSRBM-LJQANCHMSA-N 372.449 4.906 0 40 FJAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 21962085 QFQVZLJDGXHBHE-KRWDZBQOSA-N 362.477 4.523 0 40 FJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1 25213982 VXECXYFPPRJRQH-NSHDSACASA-N 372.774 4.986 0 40 FJAB CCC(=O)Nc1ccc([C@@H](C)NCc2csc(Br)c2)cc1 30640184 PHROUQPIJWRNEH-LLVKDONJSA-N 367.312 4.710 0 40 FJAB CCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 30819198 QMYQBFHQKXDGTH-UHFFFAOYSA-N 369.461 4.622 0 40 FJAB Cc1ccccc1SCC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 36759433 PGSHBLNLJYIGKB-UHFFFAOYSA-N 368.424 4.811 0 40 FJAB Cc1cccc(NC(=O)CSCc2nc(-c3ccccc3)oc2C)c1 40067524 KWDQRCCDPXUCTO-UHFFFAOYSA-N 352.459 4.830 0 40 FJAB CC(=O)Nc1cccc([C@H](C)OC(=O)COc2ccc(C(C)C)c(C)c2)c1 40157858 XWZJUHJBUJMZMH-INIZCTEOSA-N 369.461 4.760 0 40 FJAB CCOC(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127610 ZSHJBUOZSJKKKB-UHFFFAOYSA-N 350.201 4.907 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 64982636 GNDAIHLGWKNCOB-GOSISDBHSA-N 352.478 4.700 0 40 FJAB O=C(NCc1ccc2ccccc2c1)c1cccc(OCc2cccnc2)c1 89878763 MYKKRRAGHWYSAM-UHFFFAOYSA-N 368.436 4.744 0 40 FJAB OC1=Nc2ncn(-c3ccccc3)c2[C@@H](c2ccc(O)c(Cl)c2)SC1 95479077 WUBHZNWLSSLBEM-QGZVFWFLSA-N 371.849 4.656 0 40 FJAB C[C@H](c1ccccn1)N(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1 108383321 USJKLQSKRAAARS-OEMYIYORSA-N 363.505 4.678 0 40 FJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)s1 223370121 NEPSZNPZXCAEEF-OALUTQOASA-N 365.527 4.624 0 40 FJAB CCCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 223496458 ZGRVTQQNOITTCK-UHFFFAOYSA-N 373.956 4.566 0 40 FJAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1cccc(Cl)c1 224491720 KZPHPNISAQIOIF-UHFFFAOYSA-N 373.880 4.944 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(C)c1 224775632 GTPNCSZSCIWLTG-UHFFFAOYSA-N 350.462 4.572 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 225073740 YCASFAQZJOCWFB-HNNXBMFYSA-N 371.786 4.833 0 40 FJAB CCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C 225896078 VCOAVJNMRDMVCP-UHFFFAOYSA-N 364.530 4.985 0 40 FJAB Oc1nc(-c2cc3c(cc2Cl)OCO3)nc2sc3c(c12)CCCCC3 408988664 IUCVBVPPMZEFPJ-UHFFFAOYSA-N 374.849 4.715 0 40 FJAB CC(=O)[C@@H](Cc1ccc(Cl)cc1F)Sc1ncnc2sccc12 581862413 HEYPKKCHVIPCSL-CQSZACIVSA-N 366.870 4.776 0 40 FJAB O=C(CCc1ccccc1F)NCCc1ccc(-c2ccsc2)s1 618255662 HCJFGNVNIYASOR-UHFFFAOYSA-N 359.491 4.907 0 40 FJAB Cc1ccc(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 820637 CRWZEQJFQLIMTI-HNNXBMFYSA-N 357.668 4.533 0 40 FJAB CC(C)CCN(CCC(C)C)C[C@H](O)c1ccc(Br)cc1 1621101 GKZBLFPYBFCLKC-SFHVURJKSA-N 356.348 4.877 0 40 FJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccccc1F)CO3 2123132 CKHUOKLTGVEXJB-UHFFFAOYSA-N 373.383 4.956 0 40 FJAB biogenic O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 4303373 SVNWDOGQENDZHO-UHFFFAOYSA-N 361.879 4.589 0 40 FJAB CN1C[C@@H](C(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1 5525677 AHZUCLYTAPMAGO-DLBZAZTESA-N 367.798 4.887 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc2ccccc2nc1Cl 6262345 GHQDHYPNQJFLAQ-INIZCTEOSA-N 355.850 4.647 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 6451789 PDLJPWPOBRYIPP-VQHVLOKHSA-N 352.217 4.663 0 40 FJAB COc1ccc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c23)cc1 6661343 OJBNEEJARHLUDV-UHFFFAOYSA-N 361.397 4.982 0 40 FJAB Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)s1 6821541 DKWKWGOOLCXZDL-UHFFFAOYSA-N 370.518 4.957 0 40 FJAB CCC(CC)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6852011 UFUNPWSILWTYQN-LJQANCHMSA-N 372.896 4.506 0 40 FJAB O=C(CCSCc1ccccc1)Nc1ccc(Br)cc1 7685483 YCCKDSLYTTUKKG-UHFFFAOYSA-N 350.281 4.711 0 40 FJAB Cc1cccn2cc(CSc3nnc(Nc4ccccc4F)s3)nc12 8215868 UWLXGGVWXJYJCS-UHFFFAOYSA-N 371.466 4.669 0 40 FJAB C[C@@H](CCc1ccco1)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 10431751 UARZMYBQGYOYRU-INIZCTEOSA-N 371.440 4.641 0 40 FJAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842098 KCBOQRBAUHOLEP-HNNXBMFYSA-N 365.477 4.598 0 40 FJAB CCCN(Cc1ccc(C)cc1)C(=O)c1cc(C)nc2c1cnn2C(C)C 10967167 YLLOOLQVXMBRDV-UHFFFAOYSA-N 364.493 4.681 0 40 FJAB CCCOc1cccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 11915810 ADIKPFWRLUUTFW-UHFFFAOYSA-N 364.420 4.857 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1 12545201 QGIYEMYHMAXOJQ-VIFPVBQESA-N 364.232 4.882 0 40 FJAB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 12770377 ATTLATZEKSJLDQ-HNNXBMFYSA-N 369.440 4.776 0 40 FJAB Cc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(F)c1 12897801 QNQOFKFOPOSPFM-UHFFFAOYSA-N 364.823 4.530 0 40 FJAB Cn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2ccccc2)c1=S 12924597 SVSMSMYTNFQAMS-SFHVURJKSA-N 368.481 4.552 0 40 FJAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 14256375 SXJXASDQWSHBJO-UHFFFAOYSA-N 368.296 4.547 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 14399602 BMSVSGTXBXFSLG-MRXNPFEDSA-N 357.881 4.589 0 40 FJAB Cc1ccc(COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 15912632 VZUHKDFJDKRQGK-UHFFFAOYSA-N 356.425 4.999 0 40 FJAB Cc1ccc(C)c(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)c1 16047605 DMSZQBBCMYEYQX-UHFFFAOYSA-N 362.216 4.913 0 40 FJAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(Cl)c(OC)c(OC)c1 16778732 AICMPGKQGQGSCX-AWEZNQCLSA-N 365.882 4.568 0 40 FJAB CC(C)Oc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1 20488821 MVOCGMNUHNIZJA-UHFFFAOYSA-N 361.869 4.603 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3Br)n2)cc1 27990063 PDBQVZAFHYYMFJ-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 30945381 SSAYPDYFGVYSCS-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NC(C)(C)C 31423840 WWOGETGCSPDKOX-NSHDSACASA-N 352.887 4.531 0 40 FJAB CCCOc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1OCCC 32994574 LCFBQETWMIWIDQ-SJPCQFCGSA-N 373.493 4.598 0 40 FJAB CCn1ncc2c(C(=O)Nc3cccc(C)c3)cc(-c3ccccc3)nc21 36616683 KVHBSWJEQGAXFM-UHFFFAOYSA-N 356.429 4.679 0 40 FJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC1CCCCC1 44843230 VUGOYRDGAOXLKX-KRWDZBQOSA-N 355.931 4.680 0 40 FJAB O=C(Nc1ccc(NCc2ccccn2)cc1)c1csc2c1CCCC2 58230214 CMEOISNUTPAEIN-UHFFFAOYSA-N 363.486 4.886 0 40 FJAB CCN(CC)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)CC(C)C 58828343 YTKDVRJNNFTUBQ-AWEZNQCLSA-N 359.436 4.583 0 40 FJAB Cc1ccc(-n2c(SC3CCCC3)nnc2-c2ccncc2)cc1C 60346705 WBXKZGMSGJYGOQ-UHFFFAOYSA-N 350.491 4.981 0 40 FJAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)c3ccccc3)n2)c1 72357593 BPTFVKHKFDITBO-QHCPKHFHSA-N 372.468 4.658 0 40 FJAB O=C(c1cnc(-c2ccsc2)s1)N(Cc1ccco1)CC(F)(F)F 95958513 LGUNMSMLFUZIBQ-UHFFFAOYSA-N 372.393 4.669 0 40 FJAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 199414137 NIITWBWPXPSFRM-OKZBNKHCSA-N 358.526 4.669 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1cncc(-c2ccsc2)c1 206946836 QYLZLIXOPIZCEP-AATRIKPKSA-N 354.862 4.793 0 40 FJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)cc1 222930517 XNVFAXZOAXWLNW-NRFANRHFSA-N 369.505 4.645 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222977598 CXDZCIWTKIBDOK-JXFKEZNVSA-N 367.489 4.609 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccc(C)cc1 222978631 LWTOZOJNKUXAQR-NRFANRHFSA-N 371.546 4.819 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 224856761 MJCLNRPHSQXTPE-UHFFFAOYSA-N 364.445 4.928 0 40 FJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccccc2)c2ccccc2O1 225127633 DGEQPYDBFSYXOL-APWZRJJASA-N 353.462 4.653 0 40 FJAB 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COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C)C2)cc1Cl 6586323 VVLRHHWLHILNTA-QRWLVFNGSA-N 372.896 4.760 0 40 FJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3c(C)noc3C)n2n1 6654221 DPKCISQSVGEZDQ-UHFFFAOYSA-N 364.474 4.910 0 40 FJAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl 6800748 RGKACLORUGDCOK-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB CCCSc1nnc(NC(=O)Cc2coc3c(C)c(C)ccc23)s1 6809924 FRBFBMQCSMXDSE-UHFFFAOYSA-N 361.492 4.584 0 40 FJAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2noc3ccccc23)cc1 8074046 SKTFGFLSDPKNLD-HXUWFJFHSA-N 364.445 4.523 0 40 FJAB CCc1ccc(CCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 10338237 SWCDJFCOTWNDMJ-UHFFFAOYSA-N 371.502 4.547 0 40 FJAB CCc1ccc(Cl)c(CC)c1NC(=O)CN(C)Cc1ccsc1 11438551 GPHLEMMLMWTZBU-UHFFFAOYSA-N 350.915 4.597 0 40 FJAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3Cl)n2)cc1 12812405 WEGOLROGSAJOOW-UHFFFAOYSA-N 373.815 4.663 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 12902500 CHLGZLMXXUYWIL-UHFFFAOYSA-N 360.860 4.699 0 40 FJAB Cc1ccc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)on2)cc1 12975491 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FJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(-c2ccco2)n1 32753976 AOIKKZOPAOLVOD-GFCCVEGCSA-N 352.415 4.983 0 40 FJAB C[C@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C(=O)c1ccc(Cl)cc1 32789371 DOHUOAZQYMWXGJ-WHGQRRHOSA-N 369.877 4.992 0 40 FJAB O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(F)cc1Cl 38204512 IMLYWGUQXPOQCP-QPEQYQDCSA-N 353.827 4.777 0 40 FJAB COc1ccc([C@@H](NC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc1 40114929 SFWAHOJSQVDBKI-FQEVSTJZSA-N 367.395 4.693 0 40 FJAB CC1=C[C@]2(Nc3cc(C)c(C)cc3O2)c2c(C)nn(-c3ccccc3)c2O1 40544803 MCMKJCYWZDSPHR-JOCHJYFZSA-N 359.429 4.751 0 40 FJAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(N(C)c2ccccc2)nc1 48278593 WUYCTBQNJBWICK-UHFFFAOYSA-N 357.457 4.751 0 40 FJAB Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)c2ccccc2C1=O 48314828 JXOPNJORGWGMNH-PDVUDHOGSA-N 355.393 4.872 0 40 FJAB CCc1ncc(CN[C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cn1 57774227 NFUVFUPZSMGRAP-KOUHRCEDSA-N 355.913 4.754 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCC[C@H]1c1ccc(O)cc1 58018942 IDSQUABGWOIXLT-INIZCTEOSA-N 372.494 4.660 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 65119507 MHJVCZMBMCAFAT-UHFFFAOYSA-N 371.484 4.809 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101327766 VCTLNUYPMBPRDQ-HVNMYJMUSA-N 356.293 4.702 0 40 FJAB CCn1ncc(Cl)c1CN(C)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 102149746 XVCZIGAFNAANBD-VWQZVHOKSA-N 363.933 4.511 0 40 FJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@]2(Cl)C1 118926025 HWLOAYIHCDYIQF-DQHQHELFSA-N 366.929 4.891 0 40 FJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2SC)cc1OC 216495092 UQHFDPZRLHZNIU-LBPRGKRZSA-N 363.504 4.545 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219326855 OZOQREQRHQDCJM-FQEVSTJZSA-N 357.425 4.943 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(C)c(C)c1 224285767 IYWZKTZKTHDAFX-UHFFFAOYSA-N 353.462 4.563 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224419798 JQTFCRLEAXNCQW-KRWDZBQOSA-N 360.457 4.641 0 40 FJAB O=C(Cc1ccc(Cl)cc1F)NCCSc1ccc(Cl)cc1 224594913 LOCBSQVXTFSLAA-UHFFFAOYSA-N 358.265 4.584 0 40 FJAB CCc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1 224942631 YLSSQIBTJZTKPQ-SFHVURJKSA-N 361.485 4.776 0 40 FJAB CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 225049554 PLHQXXBDPWHJOS-UHFFFAOYSA-N 365.376 4.684 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H](C)c1ccccc1 225134480 ZAOLJFIOPAQYFF-VGSWGCGISA-N 351.490 4.643 0 40 FJAB O=C(C[C@H](c1ccc2c(c1)OCO2)[C@H]1CCCCC1=O)c1ccccc1 226757409 DUIDZRXLUDFXJF-QZTJIDSGSA-N 350.414 4.531 0 40 FJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3)C[C@@H]21 227486168 RDJURAGCWKLQLE-AVRDEDQJSA-N 360.413 4.921 0 40 FJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 408679049 HVRFUXOHAVAPNQ-CYBMUJFWSA-N 352.261 4.694 0 40 FJAB O=C(Cc1c(F)cccc1Cl)NCCc1ccc(-c2ccco2)s1 2086896853 OKQNRNSDJDFXOX-UHFFFAOYSA-N 363.841 4.702 0 40 FJAB Cc1nc(SCC(=O)Nc2ccccc2)c2c3c(sc2n1)CCCC3 1302976 PDCASMPYTVZFTO-UHFFFAOYSA-N 369.515 4.609 0 40 FJAB Cc1ccc2cc(-c3nc4ccccn4c3NC(C)(C)C)c(=O)[nH]c2c1C 1330142 HIYFQDOREXKIKM-UHFFFAOYSA-N 360.461 4.670 0 40 FJAB 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CCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 12905876 WZPWLZGDIBFKDA-SFHVURJKSA-N 365.477 4.522 0 40 FJAB Cc1cccc(OCC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1 13010013 WKPDBGGXAUIWAB-UHFFFAOYSA-N 366.505 4.777 0 40 FJAB CC(=O)Nc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 14200775 YDUORPQPRPHPCY-UHFFFAOYSA-N 366.461 4.710 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)cc3F)cs2)cc1 14680475 DMHIQQUFSSWFCO-UHFFFAOYSA-N 370.449 4.659 0 40 FJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H]1CCOc2ccccc21 19666696 WJNASOMQYFKEAE-INIZCTEOSA-N 368.820 4.557 0 40 FJAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c1 20043408 KZSSNIATJARGQG-JOCHJYFZSA-N 363.457 4.712 0 40 FJAB CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 21619932 HMLVZUNUZJTSLT-FQEVSTJZSA-N 363.505 4.528 0 40 FJAB CCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 21705122 ABIQVYMIOWKJNL-OAQYLSRUSA-N 365.473 4.584 0 40 FJAB Cc1cccn2c(NC(=O)c3ccco3)c(-c3ccc(Cl)cc3)nc12 26963121 QQOFGUWXTACSFE-UHFFFAOYSA-N 351.793 4.808 0 40 FJAB Cc1ccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)cc1 27920090 ZMYSSAUIQNSQJR-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB C[C@H](OC(=O)c1cc2cc(Cl)ccc2[nH]1)c1nnc(-c2cccs2)o1 29024551 YGHFHRWEJLJPHJ-VIFPVBQESA-N 373.821 4.851 0 40 FJAB C[C@@H](NC(=O)c1ccccc1SCc1cscn1)c1ccccc1 30797929 BIORQUIKADNAEB-CQSZACIVSA-N 354.500 4.926 0 40 FJAB O=C(c1cc2ccccc2o1)N(CCc1ccccc1)Cc1ccccn1 35401947 JZUDEAYTWWHSHI-UHFFFAOYSA-N 356.425 4.713 0 40 FJAB CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833643 KEAGTACVHNMEKE-SFHVURJKSA-N 356.897 4.753 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38849513 XYKMIDWYWHQLQA-INIZCTEOSA-N 360.860 4.638 0 40 FJAB CC[C@H](C(=O)NCc1ccc(-c2csc(C)n2)cc1)c1ccccc1 40005054 OSYRCIISLZZBSF-IBGZPJMESA-N 350.487 4.929 0 40 FJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)c(F)c1 40152294 ZWSGBHGZARFGSK-IBGZPJMESA-N 364.424 4.689 0 40 FJAB COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 40401756 FAOGJKJCGFIFLI-UHFFFAOYSA-N 352.397 4.620 0 40 FJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(F)c(F)c2)s1 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369.415 4.724 0 40 FJAB O=C(CSCc1ccccc1)N(CCc1cccs1)Cc1ccoc1 90612355 MVQSHBSESXNWPE-UHFFFAOYSA-N 371.527 4.846 0 40 FJAB COc1cc(CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)ccc1SC 95432485 LAJQTGHZXGGUHI-LJQANCHMSA-N 373.518 4.590 0 40 FJAB C[C@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1 95468629 LPYRLUWIVBYJFA-QGZVFWFLSA-N 350.437 4.993 0 40 FJAB CC(C)[C@H](CSC(F)(F)F)NCc1ccc(Br)cc1 95918393 ZSAWZGVRBFMVOC-LBPRGKRZSA-N 356.251 4.816 0 40 FJAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1c(F)cccc1F 96232283 IBARJPBOCGKLLO-HNNXBMFYSA-N 360.791 4.907 0 40 FJAB Cc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100424543 WUCHSFKSBYUPMG-SFTDATJTSA-N 363.505 4.702 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1F 104490700 BITHJRXCCJZHMN-WMLDXEAASA-N 370.811 4.728 0 40 FJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCCC1 222735243 FXDFMZPNMFHDJT-UXHICEINSA-N 368.550 4.607 0 40 FJAB CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc2c(c1)CCCC2 223073868 DIMHOIRUUXVVFR-JOCHJYFZSA-N 351.490 4.992 0 40 FJAB Cc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 223378009 MIRCEEWSMRMYBQ-VMPITWQZSA-N 364.272 4.819 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)CCc1ccccc1 223425357 JLFLBBPDRUOHRA-JPYJTQIMSA-N 365.517 4.860 0 40 FJAB Cc1ccccc1CSCCNC(=S)Nc1ccccc1Cl 225360058 MYRSYFNDXJFZRU-UHFFFAOYSA-N 350.940 4.868 0 40 FJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1C 225840239 LRQFLQXOSRWBCE-INIZCTEOSA-N 371.477 4.682 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1[C@@H](C)CCC[C@@H]1C 226330000 GUFDPWJUXXLYLN-GJZGRUSLSA-N 355.457 4.736 0 40 FJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(C)c2)cc1 408696714 BKCSLUTUZLNMOH-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N1 408990958 PDZGFYVSJDISRV-LJQANCHMSA-N 365.502 4.743 0 40 FJAB Cc1cc(O)nc2ccc(NC(=O)[C@H]3CC(C)(C)Oc4ccccc43)cc12 1167388565 IIFGRMMJJABJIA-KRWDZBQOSA-N 362.429 4.532 0 40 FJAB COc1ccc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)cn1 1624861059 WKQHMSBHRANBEU-VQTJNVASSA-N 366.505 4.502 0 40 FJAB O=C(NCc1cc(-c2ccsc2)cs1)Nc1ccc2c(c1)OCO2 1775969915 RPQWXGFDWYRSMP-UHFFFAOYSA-N 358.444 4.527 0 40 FJAB O=C(c1cccc(Cl)c1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 2055729683 VJHWEOFWRSYSRX-LEWJYISDSA-N 369.892 4.592 0 40 FJAB CC[C@@H](C)NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 820426 XSICOIPDULZWCC-MRXNPFEDSA-N 370.456 4.592 0 40 FJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 840442 SGKWWZUFLZZQIJ-LLVKDONJSA-N 354.233 4.798 0 40 FJAB c1ccc(-c2cc3c(NCc4ccc5c(c4)OCO5)ncnc3s2)cc1 948793 SMHAWQNGWXLKNL-UHFFFAOYSA-N 361.426 4.699 0 40 FJAB O=C(c1ccc(Cl)cc1)N1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 2374841 HMFUTGYCUOZYBV-GXSJLCMTSA-N 369.692 4.604 0 40 FJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1c[nH]c2ccccc12 2661126 NHBXKDGCVWSOAQ-UHFFFAOYSA-N 374.469 4.601 0 40 FJAB Cc1cccc(N2C(=O)S[C@@H](Nc3cccc(C(F)(F)F)c3)C2=O)c1 3647946 FRKWUVIYAMPSHY-CQSZACIVSA-N 366.364 4.652 0 40 FJAB CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2 4077283 DHFZZJCNZOUWQS-UHFFFAOYSA-N 370.305 4.944 0 40 FJAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc2cc(C)ccc2nc1Cl 4275563 KZYQWJGXNFGFMW-QGZVFWFLSA-N 369.877 4.956 0 40 FJAB COCCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 4861155 OCMWTASLRMUFGZ-UHFFFAOYSA-N 363.870 4.520 0 40 FJAB Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 4883186 XXVGWFVZUKVJCY-YQQQUEKLSA-N 369.534 4.764 0 40 FJAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 5164987 ZWRHJHMRFMXNLP-RXVVDRJESA-N 362.454 4.999 0 40 FJAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(N4CCCCC4)c23)CO1 5244916 ZXNOOTYPUQHUBC-SFHVURJKSA-N 363.552 4.645 0 40 FJAB COc1ccc(Nc2nnc(SCc3cccc(OC)c3)s2)cc1 5261961 SYBABZUSLUJHBK-UHFFFAOYSA-N 359.476 4.591 0 40 FJAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5687554 CFGODIBSIYXIHQ-NSHDSACASA-N 368.786 4.749 0 40 FJAB Cc1ccc(F)cc1NC(=O)COc1ccc(Nc2ccccc2)cc1 5934203 XHEUEHUQEVHMDJ-UHFFFAOYSA-N 350.393 4.895 0 40 FJAB COc1cc2c(cc1NS(=O)(=O)c1cccc(F)c1)oc1ccccc12 6415866 LOKIVMFIIGGNSQ-UHFFFAOYSA-N 371.389 4.535 0 40 FJAB Cc1ccc(-n2c(SCc3cscn3)nnc2-c2ccccc2)cc1 6585978 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FJAB OC1(c2cccnc2)CCN(CC2(c3ccc(Cl)cc3)CCCC2)CC1 12364470 HRWPBEWBIJTMPW-UHFFFAOYSA-N 370.924 4.530 0 40 FJAB c1ccc(-c2nc3sccn3c2CN2CCc3sccc3C2)cc1 12507017 IPILCSWLRLJEFZ-UHFFFAOYSA-N 351.500 4.683 0 40 FJAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)n2)cc1 13036985 LBJHKBCJCBZFTN-GOSISDBHSA-N 361.445 4.689 0 40 FJAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3Cl)cc21 13695274 JWBPHRMKVPTWAU-UHFFFAOYSA-N 374.843 4.667 0 40 FJAB Cc1csc(N(C(=O)COc2c(C)cccc2C)c2ccccc2)n1 14586615 PJBPKVGREXZQLE-UHFFFAOYSA-N 352.459 4.812 0 40 FJAB C[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(F)cc1 16943123 FLNDGLKVEJWBCH-JTQLQIEISA-N 353.260 4.636 0 40 FJAB COc1ccc(-n2nc(Nc3ccccc3)c3c2CC(C)(C)CC3=O)cc1 20796744 LPLPLUHHCLXCOL-UHFFFAOYSA-N 361.445 4.780 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 25617362 WOTQYHVRGOQUEQ-QGZVFWFLSA-N 358.441 4.772 0 40 FJAB O=C(Oc1cccc2cccnc12)c1ccc(C2SCCS2)cc1 27149368 MSPNTYIZNHICSP-UHFFFAOYSA-N 353.468 4.933 0 40 FJAB Cc1ccc(Nc2nc(Nc3cc(C)ccc3C)c3cnn(C)c3n2)cc1 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352.865 4.948 0 40 FJAB Cn1c(C(=O)Nc2cccc(O)c2)cc2c1c1ccccc1n2CC1CC1 96146503 KWAPGLFRSKPIDZ-UHFFFAOYSA-N 359.429 4.501 0 40 FJAB CCNc1c(NC(=O)Nc2ccc(C)cc2Cl)c(=O)oc2ccccc12 101094495 FOGOUUGAJMLUQU-UHFFFAOYSA-N 371.824 4.831 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)c1 138947277 VYHVDQGFKJZUGL-AWEZNQCLSA-N 351.368 4.578 0 40 FJAB COc1ccccc1CC(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206880348 DCBKYCGHAVHPKO-GOSISDBHSA-N 357.881 4.687 0 40 FJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2 222917850 UEYCWCLOROLNPM-GOSISDBHSA-N 369.461 4.551 0 40 FJAB CCOc1ccc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 223480258 AANWMTBRLZOTIN-LJQANCHMSA-N 353.462 4.898 0 40 FJAB CC(C)(C)c1ccccc1OCCNC(=O)CCSc1ccccc1 223668202 MTUMTQHGFAPNBE-UHFFFAOYSA-N 357.519 4.662 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)c1 224223392 OHZQICGRVMDGSL-ROUUACIJSA-N 365.527 4.937 0 40 FJAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534899 HZKWRVGADSSMBH-UHFFFAOYSA-N 353.462 4.552 0 40 FJAB O=C(NC1(c2cccs2)CCCC1)c1cc(Br)cs1 390826747 BNOARGKDWDZEQJ-UHFFFAOYSA-N 356.310 4.771 0 40 FJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2OC)cc1 408580009 MNGYWRYSSBWBEV-UHFFFAOYSA-N 352.459 4.942 0 40 FJAB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1cccs1 408619148 GHOIGMNQAKWNMG-UHFFFAOYSA-N 364.801 4.547 0 40 FJAB CCCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O 409238266 WOUFXHBAAZPKMC-HGLKBHAMSA-N 353.871 4.964 0 40 FJAB O=C(c1ccc(Oc2ccccc2)cn1)N1CCC[C@@H](Oc2ccccc2)C1 685041736 GBKXCHOQQCRPCA-OAQYLSRUSA-N 374.440 4.558 0 40 FJAB CCc1csc(N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)n1 1306997280 QGHFWLQZFKJUTI-UHFFFAOYSA-N 372.365 4.971 0 40 FJAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(Cl)c1 645470 FHOKUNIUHXNWEJ-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccc(F)cc1 936003 PNHGJOQQQPFRKX-UHFFFAOYSA-N 360.340 4.818 0 40 FJAB CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1C(C)C 1364220 VHESSYQNVCMNLI-UHFFFAOYSA-N 374.554 4.667 0 40 FJAB COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 1447542 UQEOWPIBFDJTNQ-INIZCTEOSA-N 358.445 4.534 0 40 FJAB CC1(C)C[C@H](CNCC[C@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 1817167 VFBQBALYJXPYLA-XXBNENTESA-N 359.554 4.698 0 40 FJAB biogenic CN(CC(=O)Nc1cccc2ccccc12)Cc1c(O)ccc2ccccc12 3351618 ILAPUWPKLRRJTE-UHFFFAOYSA-N 370.452 4.769 0 40 FJAB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)Nc4ccccc43)o2)cc1 3648140 UVLUZIAUJDKDBK-QGOAFFKASA-N 359.381 4.616 0 40 FJAB NC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCCC2 4176873 JBHINOWQIBTNDS-UHFFFAOYSA-N 364.470 4.521 0 40 FJAB CCCC(=O)Nc1c(C(=O)Nc2ccc(OCC)cc2)oc2ccccc12 4267682 UNCMHECGPUIKIV-UHFFFAOYSA-N 366.417 4.822 0 40 FJAB Cc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 5451962 DDFOWLZWTZEXPI-UHFFFAOYSA-N 369.424 4.816 0 40 FJAB O=C(Nc1nonc1-c1ccccc1)C(c1ccccc1)c1ccccc1 5452036 ZZRCZBWZHKCALS-UHFFFAOYSA-N 355.397 4.507 0 40 FJAB CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2ccccc21 5694709 XVJLIIHFQCRIPB-OAHLLOKOSA-N 365.502 4.516 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2 6097887 UFGURQIYJSOXLQ-CABCVRRESA-N 372.538 4.637 0 40 FJAB On1c(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)c1-c1ccccc1 6424083 QWAAZDDAVPGLLY-UHFFFAOYSA-N 356.381 4.850 0 40 FJAB CCOc1ccc(OCCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6654316 CCPYFSGOHBXZDP-DNBYOKIBSA-N 371.521 4.575 0 40 FJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 7070364 PBAASEWHXSRTPG-MRXNPFEDSA-N 370.518 4.644 0 40 FJAB C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 7481441 PMKSOFIXFVNDCV-NSHDSACASA-N 364.228 4.996 0 40 FJAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 7929116 SYYXZRCKAMTGBP-KRWDZBQOSA-N 365.473 4.505 0 40 FJAB CCOc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 8793922 OMWBRMCCSKMHMV-UHFFFAOYSA-N 359.838 4.510 0 40 FJAB Cc1c(C(=O)Nc2nc(-c3ccncc3)cs2)oc2ccc(F)cc12 9365434 QMJPAPADKKSQRA-UHFFFAOYSA-N 353.378 4.651 0 40 FJAB CCc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10184254 YLYNJQLNIOAYLT-INIZCTEOSA-N 364.518 4.702 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1cccc(/C=C/c2ccccn2)c1 12108227 FKUVXVWAVWXEGJ-VAWYXSNFSA-N 355.397 4.574 0 40 FJAB CCc1nc(SCc2c(C)noc2C)nc(N)c1-c1ccc(Cl)cc1 12740696 GBUXMBLIGUGIIF-UHFFFAOYSA-N 374.897 4.839 0 40 FJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)/C=C/c2ccc(OC(F)F)cc2)o1 14246656 ZJIGHPSJIJJJFC-OHSQMTGTSA-N 361.388 4.676 0 40 FJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20042849 QXFCOJCDQNLDGF-LJQANCHMSA-N 369.505 4.527 0 40 FJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H]1c1cccs1 22131845 UNYJHZLCQAAWIR-AWEZNQCLSA-N 360.529 4.839 0 40 FJAB CC[C@H](C)C(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 23699658 MMTFRJHKCMGQFY-VIFPVBQESA-N 369.284 4.566 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 30871881 RQXUWRNLWKYGLE-OAHLLOKOSA-N 361.869 4.775 0 40 FJAB Cc1cccc(C)c1OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 32768059 SYZCWWOPIGGAPJ-UHFFFAOYSA-N 356.809 4.545 0 40 FJAB CN(Cc1c(F)cccc1Cl)C(=O)c1csc(-c2ccsc2)n1 32768397 YSADALBCVWKNGU-UHFFFAOYSA-N 366.870 4.936 0 40 FJAB CCCn1c(C)cc(-c2csc(NC(=O)c3sc(C)nc3C)n2)c1C 32962350 NFPDDLAFVJFHGA-UHFFFAOYSA-N 374.535 4.964 0 40 FJAB O=C(NC1CCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832547 XTICFKZJQJYKHG-HNNXBMFYSA-N 369.336 4.654 0 40 FJAB O=C(Cc1cccc2ccccc12)N(Cc1cccnc1)Cc1ccco1 40050052 BPNYOVKATUDQRO-UHFFFAOYSA-N 356.425 4.599 0 40 FJAB CCCCCOc1ccc2cc(S(=O)(=O)Nc3cccnc3)ccc2c1 41091704 BCSGEZLBOSADFV-UHFFFAOYSA-N 370.474 4.605 0 40 FJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 43191038 XCOBSMXYJUADIU-CFGMGRTJSA-N 356.368 4.561 0 40 FJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 44948179 MIGCVLAWLKVLLQ-QGZVFWFLSA-N 372.317 4.873 0 40 FJAB CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1cccc2ccccc12 46301692 INLVJBWDPKIEPV-UHFFFAOYSA-N 374.419 4.535 0 40 FJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]c2ccccc2c1Br 47271800 FAIJVEWUJFAOEB-UHFFFAOYSA-N 373.294 4.629 0 40 FJAB O=C1CCCN1c1ccc(F)c(NC(=O)N2CCC[C@@H]2C2CCCCC2)c1 48251082 NPIKZSCJPCVMQT-LJQANCHMSA-N 373.472 4.529 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)c1cccs1 57508807 HJXQGDGZILXMRK-MGPUTAFESA-N 368.477 4.902 0 40 FJAB Cc1ccccc1[C@@H](C)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 57992564 JAIVSYDTKWUVTG-HUUCEWRRSA-N 353.491 4.543 0 40 FJAB O=C(O)c1cc(/C=C/c2cnc(-c3ccccc3)nc2)nc2ccccc12 58344340 KETFHIMGPUNMAW-ZHACJKMWSA-N 353.381 4.560 0 40 FJAB O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1Cl 60245789 CVJPHYNZGIJZJQ-UHFFFAOYSA-N 365.138 4.582 0 40 FJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1(C)C 61231174 VSPDUSWQQZCQAU-AYOQOUSVSA-N 351.494 4.773 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NC2CCCCCCC2)cc1 84692218 AGVWSCRLDGMLCH-QGZVFWFLSA-N 371.525 4.936 0 40 FJAB CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc2c3c([nH]c12)CCCC3 95349373 KVBFBKDRLKVARM-UHFFFAOYSA-N 354.400 4.597 0 40 FJAB Cn1ccc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccc21 117172956 MPFVFCATAHUBGW-UHFFFAOYSA-N 368.864 4.515 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C 219070351 FTPRXURCXMRKFL-LJQANCHMSA-N 369.505 4.609 0 40 FJAB CCCc1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1 223389576 ACUHGADGCHNDHT-UHFFFAOYSA-N 363.910 4.580 0 40 FJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(F)cc1 223837320 MOWAAQKPMPQCOF-YCRPNKLZSA-N 355.453 4.739 0 40 FJAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(OC)c(C)c1 224200662 YFHWCFFVPBWPGH-SFHVURJKSA-N 361.482 4.643 0 40 FJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1 224286488 FDNPETHLKBHZKF-OAHLLOKOSA-N 353.849 4.619 0 40 FJAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(Cl)cc1)CC(C)(C)O2 225309764 MXDCUCBOUNYFCP-SFHVURJKSA-N 373.880 4.700 0 40 FJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1ccco1 225325806 FJLCRTAGJGBWPC-UHFFFAOYSA-N 358.290 4.569 0 40 FJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 225558169 PAGBFYYPRCUTFN-UHFFFAOYSA-N 353.462 4.935 0 40 FJAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)s2)cc1 225738137 GWIJYSLHIQFTBE-DHZHZOJOSA-N 371.849 4.519 0 40 FJAB CCOc1ncc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225867801 VMOOKLVYTJVJGX-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)C1 252186451 QXEUMZNBRMQWHN-JPYJTQIMSA-N 362.517 4.726 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC(C)C)cc3)N21 260788337 YZGPCSBRKBQCNR-AHRSYUTCSA-N 367.518 4.848 0 40 FJAB c1cncc(CN2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)c1 306134296 NIBDXMCEOWGMLY-SFHVURJKSA-N 360.486 4.795 0 40 FJAB COc1ccc(Oc2ccc(NC(=S)NCc3ccccc3)cc2)cc1 408585309 CZLPNDFCMMCBMN-UHFFFAOYSA-N 364.470 4.974 0 40 FJAB Cc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(Cl)cc1 409206279 SQZNDRDJJFZJQH-UZYVYHOESA-N 360.841 4.596 0 40 FJAB O=C(c1cc2c(ccc3ccccc32)[nH]1)N1CC=C(c2ccccc2F)C1 501584775 NINYCFJUGRIXHU-UHFFFAOYSA-N 356.400 5.000 0 40 FJAB COc1c(C(=O)N(C(C)C)[C@H]2CCCc3cccnc32)oc2ccccc12 585080009 RDHATWNNHWGMRV-KRWDZBQOSA-N 364.445 4.765 0 40 FJAB CC1=C[C@H](O)[C@H](C(C)C)[C@@H](OCC(=O)c2ccc(O)cc2)CC(C)=CCC1 1559556392 HDAGALPNSCGMSL-PMVMPFDFSA-N 372.505 4.670 0 40 FJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 678926 IUALZKGNYBUVPN-UHFFFAOYSA-N 350.846 4.729 0 40 FJAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)c1C 709969 UURQLGQTBWNGFU-QGZVFWFLSA-N 364.489 4.593 0 40 FJAB CCOc1ccccc1C(=O)N(CC)c1nnc(-c2cccc(C)c2)s1 1345407 RRGMHGOISGCSMQ-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB COc1ccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 1384024 XIRZEXVHAACPNY-UHFFFAOYSA-N 358.850 4.648 0 40 FJAB CN(C)CCOc1c(Br)cc(Cl)cc1Cc1ccccc1 1734052 ZAVZJICXWVJTPR-UHFFFAOYSA-N 368.702 4.634 0 40 FJAB Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12 4003579 CTHJFTYSHYRZSI-UHFFFAOYSA-N 373.481 4.570 0 40 FJAB O=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)c1c[nH]c2ccccc12 4062330 TYIPCJHQVUNCMN-UHFFFAOYSA-N 355.397 4.733 0 40 FJAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(OC(C)C)cc1 4120009 GSMVNZRTVSBKMO-UHFFFAOYSA-N 368.502 4.527 0 40 FJAB Cn1c(SCc2ccccc2)nnc1-c1ccccc1Br 4130166 GBXHXNDHVDLPOK-UHFFFAOYSA-N 360.280 4.537 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 4385029 AHDJUADNFIYQLO-CQSZACIVSA-N 353.853 4.620 0 40 FJAB O=C(/C=C/c1cccc(Br)c1)N[C@@H]1CCCc2ccccc21 6232082 CZTQPLOSXLKJBZ-IENJSVCTSA-N 356.263 4.656 0 40 FJAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 6249320 BFTDKDNBHZURTP-UHFFFAOYSA-N 372.896 4.910 0 40 FJAB CCCC(=O)Nc1cccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)c1 6592896 ZUNDLNAHELUMMY-INIZCTEOSA-N 368.477 4.956 0 40 FJAB Cc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)c2ccc(Cl)cc2)c1 7049394 OEFJASQUDWNDJJ-CYBMUJFWSA-N 371.893 4.901 0 40 FJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(Cl)c1 7058488 WJLCSPYWHZPHTD-UHFFFAOYSA-N 351.111 4.539 0 40 FJAB O[C@@H]1CCCc2c(Oc3nc(-c4cccnc4)nc4ccccc34)cccc21 7467234 POBQZFXHPQKPLE-HXUWFJFHSA-N 369.424 4.854 0 40 FJAB Brc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 7570726 QKIHLDNKECDGPS-UHFFFAOYSA-N 358.264 4.593 0 40 FJAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/c1ccc(C(=O)O)cc1 7779533 DMPDFNORIISOIQ-JXAWBTAJSA-N 368.392 4.541 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccsc3)nc2C)c1 7961384 YAZSDVZPPHYLLN-UHFFFAOYSA-N 372.471 4.527 0 40 FJAB Cc1sc2nc(CSc3ccccc3)nc(-n3ccnc3)c2c1C 7989676 LLKYVGFXGLKBLL-UHFFFAOYSA-N 352.488 4.786 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10330951 IFEBPWPCDRJKJN-UHFFFAOYSA-N 373.880 4.995 0 40 FJAB Cc1oc(-c2cccs2)nc1CSc1nc(-c2cccs2)n[nH]1 10546134 CULKQEBBDJKCCM-UHFFFAOYSA-N 360.489 4.850 0 40 FJAB CCCOc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 10893678 PPSQTHHJFNXWMM-UHFFFAOYSA-N 352.459 4.529 0 40 FJAB O=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1 12919435 CJZOWHSRMCRFIU-UHFFFAOYSA-N 358.463 4.821 0 40 FJAB C[C@@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)C1 13098977 CBOUKYXEIJXPQL-SNVBAGLBSA-N 357.310 4.604 0 40 FJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 16967287 STMUIMHRAJBOFC-PMACEKPBSA-N 365.477 4.624 0 40 FJAB O=c1[nH]c(/C=C\c2ccc(Cl)cc2)nc(O)c1-c1ccc(Cl)cc1 16978098 NPTFQPRXYSUPLX-KMKOMSMNSA-N 359.212 4.620 0 40 FJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 17073201 BHUYUDPWWVVHDG-UHFFFAOYSA-N 353.447 4.596 0 40 FJAB Cc1nc([C@H]2CCCCN2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 19754189 HJBWHAUGLAXRLQ-GOSISDBHSA-N 372.900 4.626 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1Cl 20040803 JRRRVTGYMHRCTA-QGZVFWFLSA-N 366.288 4.900 0 40 FJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3C)c(O)c2)cc1 20096615 GEWUZRBMWUGXKQ-UHFFFAOYSA-N 360.413 4.514 0 40 FJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(Cl)cc1 22529293 FFPMJNHQUMTURE-HXUWFJFHSA-N 359.897 4.863 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)OCc1coc(-c2ccccc2)n1 24660086 JSTPEFNUPTZZIW-UHFFFAOYSA-N 360.413 4.889 0 40 FJAB Cc1ccc2nc(-c3cccs3)cc(C(=O)NCc3ccccn3)c2c1 27976973 YALIADJVWNBUJG-UHFFFAOYSA-N 359.454 4.597 0 40 FJAB COc1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1OC 30849415 ZDLVAQDWLHMXDN-UHFFFAOYSA-N 354.233 4.582 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@H]1c1cccnc1 31941976 QSISEBOTMPDMTJ-FQEVSTJZSA-N 356.425 4.887 0 40 FJAB O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc(Cl)c1Cl 32355544 PSYXKCMZUDAQPS-QGZVFWFLSA-N 363.288 4.560 0 40 FJAB CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(Br)c1 32803383 VTWWULQLVOTULZ-GFCCVEGCSA-N 367.312 4.803 0 40 FJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1CC=CCC1 32900329 XXHCBFNQYHWLFW-IEBWSBKVSA-N 362.473 4.815 0 40 FJAB CCOc1ccccc1N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 40001132 SSLQUZTUESVBQD-GFCCVEGCSA-N 352.356 4.543 0 40 FJAB Cc1cccc(-c2csc3c(=O)n(Cc4ccccc4F)cnc23)c1 44166774 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Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)c(=O)[nH]c2c1 9304086 MJMIMBBBPPLXTG-UHFFFAOYSA-N 368.864 4.541 0 40 FJAB COc1cc(NC(=O)CSCc2ccccc2C)c(OC)cc1Cl 11038719 DREPQZLUZICKCL-UHFFFAOYSA-N 365.882 4.538 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2[nH]c3ccccc3c2C1 12408467 VZCPQTWYSSKUJG-UHFFFAOYSA-N 366.464 4.962 0 40 FJAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(F)cc1 12680238 CMBHHFIAUUSMJL-NLKGSNSHSA-N 366.274 4.888 0 40 FJAB COc1ccc(CCC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 12928425 JATVAWBZDQHZLJ-UHFFFAOYSA-N 352.478 4.880 0 40 FJAB COc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1 12979850 PESRKGHYOPLITN-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB O=C(C[C@@H]1C=CCC1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 14198933 NCJYNQRXSZUQAT-GOSISDBHSA-N 357.457 4.512 0 40 FJAB COc1cc(OC)c(NC(=O)/C=C/c2ccccc2Cl)cc1Cl 14716792 QNQQVAIUZNXSBD-BQYQJAHWSA-N 352.217 4.663 0 40 FJAB Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1Cl 14835437 LYXXCLALWSNARR-UHFFFAOYSA-N 357.759 4.993 0 40 FJAB CCCCc1ccc(NC(=S)Nc2cc(OC)c(OC)c(OC)c2)cc1 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359.897 4.980 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 219533712 OSGOWRRWKFHEJC-PKOBYXMFSA-N 367.489 4.798 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219596128 PXXSLUYAJIITKA-WOJBJXKFSA-N 367.489 4.879 0 40 FJAB CCOc1ccc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584972 FHQLGAMIVMCAMV-JBBXEZCESA-N 373.909 4.723 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1OC 224239524 HTSQYUNPUANBNO-UHFFFAOYSA-N 363.413 4.535 0 40 FJAB CCOc1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1 225586936 BNWAUECBDHRZSO-UHFFFAOYSA-N 360.548 4.863 0 40 FJAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225614162 KLDKLGOFRKRNLN-IBGZPJMESA-N 371.905 4.678 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 225902989 YLDSAOSSRHKURE-OAHLLOKOSA-N 363.288 4.844 0 40 FJAB O=C(Nc1ccc(CCC(F)(F)F)cc1)c1cccc(Cn2ccnc2)c1 500418662 GMWYGWJSAITDSZ-UHFFFAOYSA-N 373.378 4.679 0 40 FJAB Cc1cc(Br)cc2c1CN(C(=O)C[C@@H](C)c1ccccc1)CC2 540438710 CRWZXBWMOMYWEE-CQSZACIVSA-N 372.306 4.836 0 40 FJAB Cc1cc(-c2[nH]c(C=O)nc2Br)ccc1OCc1ccccc1 1857794561 AIKOGEBQVWVCMA-UHFFFAOYSA-N 371.234 4.539 0 40 FJAB Cc1ccccc1-c1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632726 HADDUYXHIPTHRL-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 639769 JVXLQGKEDVFQKL-ZCPXKWAGSA-N 374.521 4.624 0 40 FJAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)cc1O 904185 VMHTVMPKVAILOW-UHFFFAOYSA-N 357.841 4.723 0 40 FJAB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OCc1ccc(C)cc1 1187175 KYZFXCYSPAFSSA-LICLKQGHSA-N 371.483 4.912 0 40 FJAB Fc1ccc(NC(=S)N2CCS[C@H]2c2c(F)cc(F)cc2F)cc1 1441299 JZYFIHSTKSQRIY-HNNXBMFYSA-N 372.412 4.687 0 40 FJAB COCCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2426833 BLCJILMDZUZQMQ-UHFFFAOYSA-N 372.900 4.714 0 40 FJAB Cc1cnc(NC(=O)CSC(c2ccccc2)c2ccccc2)s1 3340419 BIZKFEHWKRHAOS-UHFFFAOYSA-N 354.500 4.913 0 40 FJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 4130184 FAHWTOURIJINNN-NXEZZACHSA-N 354.233 4.503 0 40 FJAB Cc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccccc3)cn12 4930807 GINRESYALCHMHE-UHFFFAOYSA-N 351.406 4.763 0 40 FJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1 6126304 UHEILQAQMGIDRG-UHFFFAOYSA-N 355.390 4.593 0 40 FJAB C[n+]1c(-c2ccc(Br)cc2)csc1CCc1ccccc1 6232561 INKJHQYFIKWYNC-UHFFFAOYSA-N 359.312 4.787 0 40 FJAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 6478739 PVLMBIACOBRREM-UHFFFAOYSA-N 374.436 4.922 0 40 FJAB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(C)cccc1CC 6541503 HFTDQDSOMBJKHE-UHFFFAOYSA-N 359.853 4.821 0 40 FJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccn1C 7039373 RNQJFOKUSFRFHP-FDDCHVKYSA-N 373.500 4.856 0 40 FJAB CCOc1ccc2ccccc2c1CNCCc1ccc(OC)c(OC)c1 8325118 PBFUHDKLVKVHKN-UHFFFAOYSA-N 365.473 4.588 0 40 FJAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063372 SSKPPTNNUCKPMU-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB COc1ccc(OC)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 12523851 ZTVZNZYKYSJZDJ-QFIPXVFZSA-N 357.413 4.693 0 40 FJAB CCc1nc(CSc2nncn2-c2ccc(C)c(Cl)c2)cs1 12606961 HMVSRNFUBUZLBC-UHFFFAOYSA-N 350.900 4.540 0 40 FJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccn2)nc2ccccc12 12650793 RERDZSGZZPWBLM-MRXNPFEDSA-N 365.436 4.888 0 40 FJAB CC(C)[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1 12774465 KEUYFFPUONMVOS-SFHVURJKSA-N 356.516 4.928 0 40 FJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc2ccccc2n1 12899582 YEGBEOHADHGZJJ-UHFFFAOYSA-N 361.626 4.903 0 40 FJAB C[C@@H](SCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Cl 12918078 WCZMREBSLKRVFW-GFCCVEGCSA-N 363.866 4.544 0 40 FJAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(C)cc1Cl 14254431 YIMXMXDUQWCGOX-UHFFFAOYSA-N 374.687 4.520 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccccc1C 16362788 FXVWDUPBQIYKJR-UHFFFAOYSA-N 361.485 4.915 0 40 FJAB O=C1N[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)Nc2ccccc21 17309209 PXAALIHNUZBZTK-FQEVSTJZSA-N 364.832 4.773 0 40 FJAB O[C@@H](CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 19872523 IPORDDGVXNJJCR-SFHVURJKSA-N 372.262 4.532 0 40 FJAB Clc1ccccc1CN1CCN(Cc2cccc3ccccc23)CC1 19900157 MUBVYFYOPSTJHM-UHFFFAOYSA-N 350.893 4.811 0 40 FJAB COc1ccc(OC)c([C@@H]2S[C@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 19927732 XODJCZKRRIESPD-SZNDQCEHSA-N 371.502 4.994 0 40 FJAB Cc1ccccc1-c1c(C(=O)Nc2cccnc2)c(C)nc2c1C(=O)CCC2 20085948 ZENMJTGEFAKRHO-UHFFFAOYSA-N 371.440 4.532 0 40 FJAB CCOc1ccc(NCc2nc(-c3cccc(Br)c3)no2)cc1 25045706 VNTPUUMMADHQRX-UHFFFAOYSA-N 374.238 4.510 0 40 FJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1csc(Br)c1 26433607 HQDPVLAHTPRTQH-WCIBSUBMSA-N 368.639 4.509 0 40 FJAB COc1cc(CN[C@H]2CCCc3ccccc32)ccc1OCc1ccncc1 30543953 TUJKQPJRUQOJMU-QFIPXVFZSA-N 374.484 4.836 0 40 FJAB FC(F)(F)c1ccc2c(c1)N(Cc1nnc(-c3ccccc3)o1)CCC2 32868844 VMMIZOFBXMUBFB-UHFFFAOYSA-N 359.351 4.708 0 40 FJAB NC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl 41127453 WXRNNCQODAWRIQ-UHFFFAOYSA-N 362.816 4.843 0 40 FJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N(C)Cc3ccco3)sc2n1 48248620 FSVXSMCLUMBAFI-UHFFFAOYSA-N 365.458 4.569 0 40 FJAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N[C@H](C)c1ccccc1Cl 58407144 XOQSLUFXQRVGQG-CABCVRRESA-N 370.880 4.956 0 40 FJAB CC(C)c1noc2ncc(-c3nnc(-c4cccc5cccnc45)o3)cc12 71890733 QYUXMHMBFCLVDW-UHFFFAOYSA-N 357.373 4.611 0 40 FJAB CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215667 VEZCNEOJTLTVPH-SFHVURJKSA-N 359.514 4.923 0 40 FJAB CC(C)(C)Sc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 95467104 MLZJRFUIUQDMFS-IRXDYDNUSA-N 364.555 4.838 0 40 FJAB O[C@H](c1ccccc1)C1CCN(Cc2cccc(-c3ccncc3)c2)CC1 95982424 PNNNOMJFXWNFPR-XMMPIXPASA-N 358.485 4.694 0 40 FJAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cccc(C(F)(F)F)c2)cc1 102899113 XAXWFZARJJWNAD-NCELDCMTSA-N 370.374 4.605 0 40 FJAB C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 222655359 FAIRSJUNMNASBT-NYUWMOHMSA-N 365.473 4.646 0 40 FJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Cl)cc1 224452810 MAFGZFLEUOHLFH-SJORKVTESA-N 355.850 4.505 0 40 FJAB COc1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225314142 KNAQBTNSTQYLKB-UHFFFAOYSA-N 374.815 4.854 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2ccccc2F)cc1Cl 225412680 QIVARRKFYNSSSD-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccccn3)CC2)cc1 257283359 OXYIKPHMSVQVSO-UHFFFAOYSA-N 372.468 4.826 0 40 FJAB S=C(NCc1ccco1)c1cccc(OCc2ccccc2Cl)c1 408571927 DIAQTCLKQUAGLF-UHFFFAOYSA-N 357.862 4.977 0 40 FJAB O=C(O)Cc1c(-c2ccc(Cl)s2)oc2c1c(=O)oc1ccccc12 524731293 RTKZFJFXOHSAPT-UHFFFAOYSA-N 360.774 4.548 0 40 FJAB biogenic O=C(NCc1ccc(Oc2cccc3ccccc23)cc1)c1cccc(O)n1 555340854 UOGUXAQXFIJQGT-UHFFFAOYSA-N 370.408 4.663 0 40 FJAB CC[C@H](NC(=O)N1CCS[C@H](c2ccccc2)C1)c1ccc(C)cc1 605215071 NFTPHBWEHPHJQW-PMACEKPBSA-N 354.519 4.946 0 40 FJAB CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC[C@@H]3[C@H]3CCC[C@H]3O)ccc21 1628138219 MMXBRQVTUNPQEL-DUXKGJEZSA-N 369.549 4.801 0 40 FJAB O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 667094 LSZUZYLFMKSGSQ-ZHACJKMWSA-N 366.804 4.837 0 40 FJAB O=c1[nH]c2ccccc2n2/c(=N/c3ccccc3)sc(-c3ccccc3)c12 716566 UKFLJUCQZULSDI-FCQUAONHSA-N 369.449 4.742 0 40 FJAB O=C(NCc1cccs1)c1cc2sccc2n1Cc1ccc(F)cc1 1324333 BDXGQHPECOTRBN-UHFFFAOYSA-N 370.474 4.882 0 40 FJAB COc1ccc(CCNc2nc(C)nc3sc4c(c23)CCCC4)cc1 1465328 ZAPWUXUMACKQGB-UHFFFAOYSA-N 353.491 4.542 0 40 FJAB CC(C)(C)c1cc(N2CCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2200888 RKDUKOJWWLEKEH-UHFFFAOYSA-N 354.885 4.947 0 40 FJAB Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)NC2=S)cc1 3273228 MCMRWUDJBVYIOC-ZROIWOOFSA-N 363.269 4.564 0 40 FJAB Fc1ccc(Cn2cc(C(=S)N3CCCCC3)c3ccccc32)cc1 3644744 MIDOWNXLTLMBOC-UHFFFAOYSA-N 352.478 4.990 0 40 FJAB Cc1c(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)nc2ncccn12 4033199 UAVBGXDFPZIKEA-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB Cc1ccc(CSC2=NCCN2C(=O)c2c(F)cccc2Cl)cc1 4120384 OWIIWWIEEGKKPP-UHFFFAOYSA-N 362.857 4.533 0 40 FJAB Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)c1 5190771 ZCMRAKBCTRFVAY-KRWDZBQOSA-N 362.292 4.845 0 40 FJAB Cc1ccccc1N1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 5214091 RUGAGRRZUZLMHN-GDNBJRDFSA-N 374.259 4.998 0 40 FJAB O=C(Nc1ccccc1N1CCCC1)c1ccc(C(=O)c2ccccc2)cc1 6648531 JTQUGIBMUJOLMU-UHFFFAOYSA-N 370.452 4.770 0 40 FJAB Cc1c(C(=O)NCc2ccc(CN(C)C)cc2)oc2c1ccc1ccccc12 7437438 IGRKSOATHVFYHO-UHFFFAOYSA-N 372.468 4.886 0 40 FJAB COc1cc(NC(=O)CCSCc2ccccc2)c(OC)cc1Cl 7685758 CQZWXLHNYUOCIT-UHFFFAOYSA-N 365.882 4.619 0 40 FJAB CCCc1ccc([C@H](NCC(=O)Nc2ccccc2OC)C(C)C)cc1 7851399 SZNAFIRJWGJXQY-JOCHJYFZSA-N 354.494 4.573 0 40 FJAB CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C1=O 8091623 ZCPZDWCYHXJHNQ-MDWZMJQESA-N 353.321 4.632 0 40 FJAB Cc1ccc(-c2nnc(NCCCn3ccnc3)c3ccccc23)cc1C 8311047 KIXQYASIOXTMMA-UHFFFAOYSA-N 357.461 4.612 0 40 FJAB CCCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C)oc2c1 8329241 JJFNKBHUWFZAEE-UHFFFAOYSA-N 370.401 4.635 0 40 FJAB Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3n2CCO)c1 8715499 RPIMTBYPUNMNBF-UHFFFAOYSA-N 370.518 4.632 0 40 FJAB O=C(c1ccccn1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185402 VHHCAFCNJKGOCF-MRXNPFEDSA-N 353.447 4.556 0 40 FJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 12602210 HIIMVKVZZAEENL-GJZGRUSLSA-N 372.490 4.554 0 40 FJAB Cc1ccc([C@@H](NC(=O)c2cnn(-c3ccccc3)c2)c2cccs2)cc1 12710239 XZYSHAJDLAVDQN-OAQYLSRUSA-N 373.481 4.762 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1occc1-c1ccccc1 12754271 GTBOSOWHHLBYTG-UHFFFAOYSA-N 371.440 4.679 0 40 FJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cc(Cl)ccc1Cl 12779493 BVBQYVRXHKFGMO-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB O=C(N[C@@H]1CCCc2ccccc21)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12791368 PWJCCCIOQWCWFO-RGPMPMONSA-N 373.587 4.793 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 12890812 ATSYVDKEQLLLNE-UHFFFAOYSA-N 353.425 4.851 0 40 FJAB Cc1nc(-c2ccc(NC(=O)COc3cccc4ccccc34)cc2)co1 12906724 IQHBQZLILRCKFN-UHFFFAOYSA-N 358.397 4.821 0 40 FJAB COc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 12999974 UYCFCBYXGRLSSZ-UHFFFAOYSA-N 361.401 4.592 0 40 FJAB Cc1c(C(=O)CSc2nnc(C3CC3)n2C2CC2)oc2ccccc12 14141897 UGBQYQDKFCELRJ-UHFFFAOYSA-N 353.447 4.520 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 14686437 YHBJXJYPIVMIBL-XCVCLJGOSA-N 360.200 4.695 0 40 FJAB Cc1nn(-c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)c(C)c1Cl 16022778 WRSNJIGQRQQEHM-CYBMUJFWSA-N 365.864 4.734 0 40 FJAB CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CCC(C)(C)C 16780747 BRCZEIIJMUFXCF-UHFFFAOYSA-N 361.935 4.622 0 40 FJAB COc1cc2c(cc1OC)[C@@H](C1CCCCC1)N[C@@H](c1ccc(C)cn1)C2 19216052 KCBBSGQWTDTQQL-NFBKMPQASA-N 366.505 4.916 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 20050725 XQVHQMBYHBGVFG-WIYYLYMNSA-N 369.505 4.983 0 40 FJAB Cc1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 21596282 XDMXUBVGENFEKZ-UHFFFAOYSA-N 356.535 4.723 0 40 FJAB CC(C)N(CC[C@@H](c1ccccc1)c1cc(C(=O)O)ccc1O)C(C)C 22054144 NKTNTJFTBRPQIZ-IBGZPJMESA-N 355.478 4.731 0 40 FJAB in-vitro C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)c1ccc(Cl)cc1 23273867 PCHJIIZXVIRJCC-LBPRGKRZSA-N 358.850 4.677 0 40 FJAB Cc1nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n(C2CC2)c1C 32894165 OPGZTGLTGDRSNO-CYBMUJFWSA-N 369.490 4.551 0 40 FJAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccccc2Br)cc1 35671954 OIDSNOYOUQHBEF-UHFFFAOYSA-N 371.234 4.973 0 40 FJAB Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 37408909 FIOKDPIVTMKOBX-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB COc1ccc(SCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 38757199 DLCHCBMQVGUJOL-UHFFFAOYSA-N 372.273 4.741 0 40 FJAB O=C(CCSCc1ccccc1Br)Nc1cccc(F)c1 58045720 NFYFUCHAZXKVSQ-UHFFFAOYSA-N 368.271 4.850 0 40 FJAB Cc1nc2ccccc2nc1NCc1ccc(Oc2cccnc2)c(F)c1 63254864 DHEHCLJMYTUOLB-UHFFFAOYSA-N 360.392 4.877 0 40 FJAB CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 65002335 JPPJDERYXWBGKI-ZDUSSCGKSA-N 368.502 4.955 0 40 FJAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc3ccccc23)cc1 72238447 UXKIAEHPXNDGOG-QFIPXVFZSA-N 372.468 4.646 0 40 FJAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)C2CCCC2)n1 72358009 TUWJEIQGHQVIRM-OAQYLSRUSA-N 364.489 4.535 0 40 FJAB CCN1CCc2ccc(NC(=O)c3cnc(-c4cccs4)s3)cc21 95947011 LQPQKANAWPURJY-UHFFFAOYSA-N 355.488 4.506 0 40 FJAB O=C(c1ccc(Cl)cc1)N1[C@@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 100637243 HMFUTGYCUOZYBV-MWLCHTKSSA-N 369.692 4.604 0 40 FJAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214410589 WGGLJZDCQYZACA-VGOFMYFVSA-N 365.241 4.625 0 40 FJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCCC1 222735300 FXDFMZPNMFHDJT-VQTJNVASSA-N 368.550 4.607 0 40 FJAB Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C 223391820 IBBUPODKCOPHOQ-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(C)c1 223956490 LAYPNIFTSGWPHT-LJQANCHMSA-N 357.519 4.813 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(C)cc1 223956906 VHIGLJJFTIAYKP-UTKZUKDTSA-N 351.490 4.909 0 40 FJAB CCCCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)cc2)c1 224495980 CZZAHTYXQPFGAG-UHFFFAOYSA-N 361.869 4.848 0 40 FJAB CCOc1ccc(C(=O)NCCCc2ccccc2Cl)cc1Cl 224791469 WYTBHRRTYUMEPV-UHFFFAOYSA-N 352.261 4.755 0 40 FJAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc2ccccc2c1 225094856 ZEAWZVVBNQPUMD-SFHVURJKSA-N 360.331 4.933 0 40 FJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225188854 GYJGXKIZLMKCLF-ROUUACIJSA-N 351.490 4.827 0 40 FJAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccccc1Br 225651837 DPAOOCZGNTVAMH-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 257244044 IJPOTLFUYYOACM-HXUWFJFHSA-N 373.460 4.567 0 40 FJAB CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2cc(Cl)ccc21 408713160 MGAHMXKVEVKGDE-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB CC(C)c1ccccc1NC(=O)CSc1nc2ccc(N)cc2s1 408750821 SBVVCLHHZSZOBZ-UHFFFAOYSA-N 357.504 4.733 0 40 FJAB CC[C@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409242592 RRVDTWIFWRGEIE-UOEVCUDDSA-N 373.456 4.705 0 40 FJAB CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4cccc(F)c43)c12 676119811 GAARMDVFZQCJPF-UHFFFAOYSA-N 365.408 4.566 0 40 FJAB Cc1cccc(-c2cccc(C(=O)N[C@@H]3CCCc4nc(O)ccc43)c2)c1 1540567036 WSJRRQIGEQNSAP-OAQYLSRUSA-N 358.441 4.570 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)s1 1615160421 RFLKLHSOMYUYGJ-ROUUACIJSA-N 372.509 4.858 0 40 FJAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)s1 2635976 SUCGSMGLLOXHDF-UHFFFAOYSA-N 359.900 4.508 0 40 FJAB O=C(CSc1ncnc2ccccc12)Nc1c(Cl)cccc1Cl 3253506 DPLCLTVVVGIHBK-UHFFFAOYSA-N 364.257 4.667 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)COc1ccccc1-c1ccccc1 3356563 VIWCMKKZPVEXJV-KRWDZBQOSA-N 361.441 4.618 0 40 FJAB O=c1cc2c(nn1-c1ccc(F)cc1)c1ccccc1n2Cc1ccccc1 3671345 MIWXAPSVFFDZOV-UHFFFAOYSA-N 369.399 4.528 0 40 FJAB CN(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 3894504 AXKGKRKYJLUJOD-UHFFFAOYSA-N 361.342 4.938 0 40 FJAB CCOc1ccc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)cc1 4070435 UNRQMAGIQWSALI-UHFFFAOYSA-N 367.474 4.781 0 40 FJAB COC(=O)c1cc(NC(=O)CCSc2ccc(C)cc2)ccc1Cl 4682044 QWIUSUPBVTVJRC-UHFFFAOYSA-N 363.866 4.556 0 40 FJAB CC1=NN2C(=NC(C)(C)C1)SC(Br)=C2c1ccccc1 5416588 SDMJMDUCYHDRRO-UHFFFAOYSA-N 350.285 4.671 0 40 FJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cl)cc2)cs1 7918933 MKGUXACRZRFDER-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB O=C(CCC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 8180862 HKJJFDHOZUWIPX-UHFFFAOYSA-N 359.425 4.867 0 40 FJAB O=C(Cc1coc2ccc3ccccc3c12)Oc1ccc(-n2ccnc2)cc1 8280393 UGOFSNSNSZBTBB-UHFFFAOYSA-N 368.392 4.920 0 40 FJAB Cc1ccc([C@H](CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 8602665 MPBXOOAOOBIXOG-JOCHJYFZSA-N 350.483 4.909 0 40 FJAB CCC1=Nc2ccccc2N=C(NC(=O)C(C)C)[C@H]1c1ccc(F)cc1 9095231 IPNIWERFYQFPNI-IBGZPJMESA-N 351.425 4.908 0 40 FJAB O=C(Nc1cccc2ncccc12)c1cc2cc(Br)ccc2o1 9184587 BKIFTNXYYZIHKT-UHFFFAOYSA-N 367.202 4.996 0 40 FJAB Cc1cccc(C)c1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 9204963 ZBMPEPQVTIWHQR-UHFFFAOYSA-N 367.420 4.643 0 40 FJAB Cc1cccc(Cc2cnc(NC(=O)c3ccc4ccccc4n3)s2)c1 9446306 WLYIOPUZYQENEC-UHFFFAOYSA-N 359.454 4.843 0 40 FJAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@H](C(F)(F)F)C4)cc3c2C1 10285227 IIJWBSVNEMEXOM-JSGCOSHPSA-N 364.411 4.707 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1C 10714894 OADOTIYTWDYAMG-UHFFFAOYSA-N 372.421 4.603 0 40 FJAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)cc1 11916480 AXVVFBAXYLRIQP-UHFFFAOYSA-N 362.385 4.679 0 40 FJAB Cc1cc(C)cc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12768806 MAGKKCAWEYYOOE-UHFFFAOYSA-N 366.490 4.562 0 40 FJAB Cc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1Cl 12800058 PGHOMXLHNRZWQG-UHFFFAOYSA-N 360.788 4.950 0 40 FJAB Cc1ccc(CNC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 12996485 JPOMEICLJSVTJV-UHFFFAOYSA-N 366.486 4.577 0 40 FJAB COc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2)cc1 13687444 OUGRMPUWNWMDDU-UHFFFAOYSA-N 361.441 4.546 0 40 FJAB CC(C)CN(CC(C)C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13946407 ZTMUWEBWKGOHEW-UHFFFAOYSA-N 372.745 4.950 0 40 FJAB Cc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OC2(CCCC2)O4)c1 14128754 BPYIATDQXUIQGO-UHFFFAOYSA-N 361.397 4.521 0 40 FJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1sc2ccccc2c1Cl 18092086 PXLDVNCFCMAUID-UHFFFAOYSA-N 370.861 4.934 0 40 FJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc(Cl)cc1 20137137 JBIHAOWMCCAPLC-UHFFFAOYSA-N 355.821 4.582 0 40 FJAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20143056 SNMJOCOYPMOFGA-UHFFFAOYSA-N 371.820 4.662 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1Cl 20482473 PDHIUBJWFBYPPY-OAHLLOKOSA-N 354.233 4.798 0 40 FJAB Cc1cccc(OCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1 24384093 RMMKFAOPZXTSSX-SFHVURJKSA-N 366.486 4.737 0 40 FJAB Cc1ccc(-c2nc(CSc3nc(C)c(C)n3CC(C)C)no2)cc1 25063617 KQNIAEKMNFFXFM-UHFFFAOYSA-N 356.495 4.807 0 40 FJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O 32859671 NEHCWOWAUKVRRZ-FQEVSTJZSA-N 366.800 4.827 0 40 FJAB CC(C)(C)c1ccc(C(=O)c2cccc(I)c2)cc1 37354771 YMVKIUVAWUIGLD-UHFFFAOYSA-N 364.226 4.820 0 40 FJAB COc1ccc(CNc2cc(C(F)(F)F)nc3ccccc23)cc1OC 40047089 DTFLKXGSQSBNJJ-UHFFFAOYSA-N 362.351 4.883 0 40 FJAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(C(C)C)cc1 45890978 SQPAHCUEIFLNLR-UHFFFAOYSA-N 355.507 4.589 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 57992558 JAIVSYDTKWUVTG-GJZGRUSLSA-N 353.491 4.543 0 40 FJAB CCC[C@@H](C)N(C)C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 58198029 FQBBDVQLRSFRNP-IERDGZPVSA-N 372.484 4.948 0 40 FJAB Cc1ccccc1OC[C@@H](O)Cn1c(C2CCCCC2)nc2ccccc21 76556325 IVWMUACRHHQSPC-IBGZPJMESA-N 364.489 4.832 0 40 FJAB C[C@@H](NC1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 78265923 NWMLNMAZGPQPMX-MRXNPFEDSA-N 373.338 4.764 0 40 FJAB CCSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344142 XGQGHUQHHAHRGC-MNOVXSKESA-N 374.318 4.699 0 40 FJAB Cc1ccc2cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)[nH]c2c1 84209969 FDLJDSFGGRXIDT-QFIPXVFZSA-N 355.441 4.733 0 40 FJAB COc1ccc(OC)c(CNCc2ccc(-c3ccccc3F)s2)c1 95349250 CDJLDLNFEVPTHU-UHFFFAOYSA-N 357.450 4.861 0 40 FJAB Cc1c([C@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2)oc2ccccc12 95951278 SVMPWAYEVINELG-HNNXBMFYSA-N 364.449 4.619 0 40 FJAB CC[C@@H](O)c1c(Br)c2ccccc2n1C(=O)OC(C)(C)C 96509786 USHGIOFSYBGCJL-GFCCVEGCSA-N 354.244 4.630 0 40 FJAB CC1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 118914647 SPFIKHYEPDYDPC-CPDXTSBQSA-N 360.538 4.689 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C 219532125 MURYAAHRVQOFFW-LJQANCHMSA-N 369.505 4.609 0 40 FJAB COC(=O)c1cn(C(=O)c2ccccc2SC(C)C)c2ccccc12 222628045 RJGIXRJTRFSBQX-UHFFFAOYSA-N 353.443 4.617 0 40 FJAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)C(c1ccccc1)c1ccccc1 223087077 KCBSOWKMMDYUFO-UHFFFAOYSA-N 371.415 4.986 0 40 FJAB CC(C)Sc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 223255240 QFQPOOHVRSLARA-UHFFFAOYSA-N 373.956 4.564 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)(C)C 223712926 WIDDEOWUDXNDRV-KRWDZBQOSA-N 369.505 4.509 0 40 FJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223765422 FWEIDLGVTMVTBK-QGZVFWFLSA-N 369.530 4.550 0 40 FJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSC1CCCCC1 224264921 SRSPHWQWXDPVFL-MRXNPFEDSA-N 361.551 4.515 0 40 FJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1C 224431551 NFNUDNMSIHRNNU-GOSISDBHSA-N 360.457 4.695 0 40 FJAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3)nc2c1 408618117 CBAFYYXXBUESPS-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB CCOc1ccc(-n2c(C)nnc2SCc2ccccc2Cl)cc1 409096510 DNNSQEROSBUSGN-UHFFFAOYSA-N 359.882 4.920 0 40 FJAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1003958 FDKSEOURDRUCQV-FOCLMDBBSA-N 362.473 4.709 0 40 FJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Oc2ccccc2)c1 3348308 WNGYGXMNVOOQSC-UHFFFAOYSA-N 374.440 4.568 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1 3907730 NCXSAQOGYPYFFX-UHFFFAOYSA-N 357.207 4.665 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1cccs1 4854572 KILSKQUHQOAFTJ-KRWDZBQOSA-N 357.866 4.840 0 40 FJAB C1CCCC(N2N=N[C@H]3[C@@H]4C[C@@H]([C@H]5N=NN(C6CCCCCC6)[C@H]45)[C@H]32)CC1 4886814 ZAYCNUZFVDXKPF-POHNSKBLSA-N 370.545 4.922 0 40 FJAB COc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 6407781 GZGXSNQSSNDYJX-UHFFFAOYSA-N 370.301 4.665 0 40 FJAB CC(C)[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCCO2 6790027 YEKDRSWJXBXYKD-OAQYLSRUSA-N 365.429 4.721 0 40 FJAB COc1ccc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2)cc1 6933755 SYICTUIWPMBGFO-UHFFFAOYSA-N 359.469 4.876 0 40 FJAB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 6962852 CHNYPWAEPXXDKP-PJIJBLCYSA-N 364.401 4.736 0 40 FJAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 7080129 ZVPMATKWJHSVIQ-INIZCTEOSA-N 368.477 4.812 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 7920420 OGTRFBHJCTVSGQ-UHFFFAOYSA-N 356.422 4.685 0 40 FJAB COCCc1ccc(Oc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 7983796 CHZULDGZNYWOLH-ZDUSSCGKSA-N 354.475 4.797 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(Cl)c2)C(=S)N1 8023667 SUQOMLUYSBDCQW-VQIMIIECSA-N 358.894 4.837 0 40 FJAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccncc3)cc12 9420498 VKIUYKNQMQIBMA-UHFFFAOYSA-N 356.381 4.620 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)c(F)c1 9690577 WLDUJIOMCBFBGZ-JTQLQIEISA-N 364.442 4.570 0 40 FJAB Cc1ccc2c(CC(=O)NCc3ccc(OC(F)F)cc3)coc2c1C 11506718 QHOQNZYEEBHHKT-UHFFFAOYSA-N 359.372 4.510 0 40 FJAB Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 12872318 BPAOQYLTOUXPAL-IBGZPJMESA-N 357.885 4.607 0 40 FJAB O=C(/C=C/c1ccccc1F)N1CCC[C@H]1c1nc2ccccc2s1 12982737 YULZVUPAGITTQN-FLVLSHQESA-N 352.434 4.812 0 40 FJAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13648986 NKMBQEXHSXCWIT-CYBMUJFWSA-N 351.899 4.677 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3c(F)cccc3Cl)s2)cs1 14139491 TXMSWAOAYUWKHO-UHFFFAOYSA-N 366.870 4.903 0 40 FJAB COc1ccccc1OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 14472687 PQUMTDUFAWQGSS-UHFFFAOYSA-N 367.015 4.923 0 40 FJAB COc1c(C)cccc1CN[C@@H](Cc1ccsc1)c1ccc(C)cn1 19215555 HMVSJKDKOKMCEK-FQEVSTJZSA-N 352.503 4.842 0 40 FJAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)n1 19573005 DQCALKQWPQCQPO-KGLIPLIRSA-N 359.857 4.728 0 40 FJAB CCC(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 19691634 RSBUSLJOYCPJHS-UHFFFAOYSA-N 356.897 4.750 0 40 FJAB O=C(CCSc1ccccc1)NCCSCc1ccccc1Cl 20239022 ZPLIPMPBTUKUNX-UHFFFAOYSA-N 365.951 4.872 0 40 FJAB CCCOc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1OCCC 22190646 CRYQADYOVWDHSI-MRXNPFEDSA-N 360.281 4.787 0 40 FJAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 25539401 TZCVIOVKPRQUBT-QGZVFWFLSA-N 367.449 4.630 0 40 FJAB Cc1nccc(-c2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)n1 32026045 SYGFMDKFRGUGAJ-UHFFFAOYSA-N 372.255 4.940 0 40 FJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1sc(C)nc1C 32739374 IVLIYSRAFGUIIF-UHFFFAOYSA-N 368.502 4.974 0 40 FJAB O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40011779 IRWOKVSYQPXWCR-ZDUSSCGKSA-N 354.841 4.628 0 40 FJAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(Br)c1 40478368 WMGLIERKAFTZPC-UHFFFAOYSA-N 374.213 4.539 0 40 FJAB CCc1cc(=O)oc2cc3occ(-c4ccc5c(c4)OCCCO5)c3cc12 41105505 HIGBGNYARUCWID-UHFFFAOYSA-N 362.381 4.930 0 40 FJAB C/C=C/C=C/C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 59421541 WGNPVDINLJFIHW-NLBYTWITSA-N 374.253 4.926 0 40 FJAB CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2c(F)cccc2s1 64445322 JCSJZULQXOLNNT-UHFFFAOYSA-N 367.449 4.622 0 40 FJAB Cc1cccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)c1 67260724 LKXHJTNBBGJLPM-UHFFFAOYSA-N 365.436 4.673 0 40 FJAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c2ccccc12 72027103 QWOQZOOWMJKXSX-UHFFFAOYSA-N 355.459 4.656 0 40 FJAB CCCCNc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72213594 GGIJOOOLZLHCLR-LJQANCHMSA-N 353.466 4.767 0 40 FJAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC[C@@H](c2ccccc2)C1 89828097 BRFCPBPCZQVEDD-QGZVFWFLSA-N 365.404 4.627 0 40 FJAB Cc1nc(C(C)C)c(-c2nn3c(-c4ccc(F)cc4)nnc3s2)s1 95477135 XHBPCOSITZGKFE-UHFFFAOYSA-N 359.455 4.547 0 40 FJAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)c1 100672976 OZIKZYNGGVHJQB-UHFFFAOYSA-N 371.392 4.721 0 40 FJAB biogenic COc1ccc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1F 206880933 CBSPDGRGOJSZID-INIZCTEOSA-N 361.844 4.898 0 40 FJAB CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(OC)cc1 216230816 XATTYMBGGBIOBL-IBGZPJMESA-N 361.869 4.775 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 222839093 XUVAWIUMQQHZEE-OALUTQOASA-N 355.478 4.737 0 40 FJAB CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223127016 IPXRSCAIOQRIHA-OAQYLSRUSA-N 351.490 4.829 0 40 FJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN(C)c2ccccc2)c1 224152073 HEGWNEWAPWPEEZ-IBGZPJMESA-N 368.521 4.528 0 40 FJAB CCCc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 224261018 RMSAOYIMBDTNHS-UHFFFAOYSA-N 369.505 4.511 0 40 FJAB CCOc1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224930354 ZTSBUEXRIPTZPO-UHFFFAOYSA-N 374.289 4.607 0 40 FJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc4c(c3)CCCC4)ccc21 225183516 ZLPXRNLDWKDWPR-UHFFFAOYSA-N 366.486 4.775 0 40 FJAB O=C(c1ccccc1Br)N1CCS/C1=C/c1cccs1 225233967 OUPNDPMBBXVKAD-GXDHUFHOSA-N 366.305 4.698 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225336247 YHNXJHHKGMFDRL-CQSZACIVSA-N 366.288 4.818 0 40 FJAB Brc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 225544999 IWTBFTSUNGUAHW-UHFFFAOYSA-N 367.206 4.556 0 40 FJAB Cc1cc(NC(=O)C(C)(C)Br)ccc1OCc1ccccc1 225595511 GDXMXYUIZSPCBC-UHFFFAOYSA-N 362.267 4.686 0 40 FJAB O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1ccc(Cl)cc1 225770137 BXQXDNHUGSJPBS-UHFFFAOYSA-N 368.220 4.903 0 40 FJAB CCCOc1ccccc1CCCNC(=O)c1ccc(OC)c(Cl)c1 225783689 IQVRHQNTRPCKJY-UHFFFAOYSA-N 361.869 4.500 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225867800 RAKTVGHKLIDAEV-INIZCTEOSA-N 367.474 4.618 0 40 FJAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c(C)c1 226861896 GJJXELJYMCBQOK-UHFFFAOYSA-N 351.471 4.664 0 40 FJAB O=C(O)c1ccc(-c2ccc(CN3CCC[C@H]3c3ccccc3)o2)cc1O 257221793 DQNKSSQZNXMGRL-IBGZPJMESA-N 363.413 4.688 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3cccnc3)C2)cc1 257228266 FTFNBAXKYXXXJF-HXUWFJFHSA-N 372.468 4.511 0 40 FJAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(Br)o1 575620034 HTENUTLEKYCWEW-JTQLQIEISA-N 364.264 4.618 0 40 FJAB Cc1ccccc1[C@H](C(=O)O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 578448367 SXRPTEDGJXULEA-CRAIPNDOSA-N 358.507 4.580 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1 876050 DELSFVHNXIQIPA-UHFFFAOYSA-N 368.458 4.549 0 40 FJAB Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(Cl)cc2)S3)c1 935544 GRDOAWXKEUGGMW-HNNXBMFYSA-N 355.850 4.784 0 40 FJAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OC 982857 JBKMDJJIQIIIMD-UHFFFAOYSA-N 350.256 4.695 0 40 FJAB O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 1426320 SKKNBTVUELKHAQ-UHFFFAOYSA-N 366.804 4.550 0 40 FJAB CCOC(=O)[C@H](c1ccccc1)N(CCCN(CC)CC)c1ccccc1 1712467 PJUVQIWQLTZLSP-QFIPXVFZSA-N 368.521 4.529 0 40 FJAB CCCOC(=O)[C@H](CC)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778570 QHCVRBBNMSYDRT-YPMHNXCESA-N 364.536 4.640 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1 2176771 SUEANTHISFKJTR-FQEVSTJZSA-N 368.477 4.583 0 40 FJAB biogenic CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 2272516 QHONABNNLWUXNU-QFIPXVFZSA-N 371.440 4.725 0 40 FJAB CCCCCCn1c(N)c(C(=O)O[C@H](C)CC)c2nc3ccccc3nc21 2412217 PSMVPLKPYFWFGB-CQSZACIVSA-N 368.481 4.702 0 40 FJAB O=C(OCC(F)(F)F)c1ccc(COc2ccc3ccccc3c2)o1 2487650 UVGPURISWVCUHW-UHFFFAOYSA-N 350.292 4.731 0 40 FJAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1 3302764 NMQSHXCSDKTFCK-UHFFFAOYSA-N 369.679 4.609 0 40 FJAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(Cl)c1 3322495 XRAUEFDEIKTIJE-UHFFFAOYSA-N 350.654 4.756 0 40 FJAB CCCCc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 3647932 PTFPFLQBBPDQAU-GOSISDBHSA-N 354.475 4.976 0 40 FJAB Cc1c(C(=O)O[C@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 4134290 ALZQGBPKHSLVMU-AZOIQLNYSA-N 351.446 4.581 0 40 FJAB Fc1cc(F)c2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1 4137837 GBNNWGRVDWOCIL-UHFFFAOYSA-N 363.370 4.657 0 40 FJAB aggregator Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1C 4328758 VCTJBIZHYFHIKS-UHFFFAOYSA-N 373.478 4.839 0 40 FJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 4721872 IMEAPVIKPWOOTG-UHFFFAOYSA-N 366.420 4.869 0 40 FJAB CCCCc1nc2cc(N)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 4906567 QNFNMHOFKTUVGC-UHFFFAOYSA-N 362.399 4.732 0 40 FJAB CC(C)(C)c1ccc(NCc2cc(-c3ccccc3)cn3nnnc23)cc1 4935374 VUMMCNPZSVZRBO-UHFFFAOYSA-N 357.461 4.701 0 40 FJAB Cc1ccc([S@](=O)c2snnc2-c2ccc(Cl)cc2Cl)cc1 5617862 DLSYGANMWRUCPO-JOCHJYFZSA-N 369.298 4.987 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 5624945 OSRJABZDAFFLEB-UHFFFAOYSA-N 358.438 4.750 0 40 FJAB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)O 6959505 JQTRRRMABKQJFH-UFFVCSGVSA-N 361.825 4.570 0 40 FJAB CCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 7261636 YNGZQMLDQUYRGM-UHFFFAOYSA-N 351.849 4.956 0 40 FJAB COc1ccc(CN(C2CC2)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 7662352 ACDNYJLXMFTFDV-ZDUSSCGKSA-N 355.463 4.532 0 40 FJAB Cc1ccc(SCCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 7780158 PKPNYLPUCIXXLK-UHFFFAOYSA-N 353.443 4.876 0 40 FJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(Oc2ccccc2)c1 8157292 SLTFFYZCZWJKGO-UHFFFAOYSA-N 361.397 4.893 0 40 FJAB COc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)cc1 8691643 BNSMXFMCHJCBAR-INIZCTEOSA-N 364.923 4.793 0 40 FJAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063275 UFIPEHUIHYANTO-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB CCOc1ccc(C(C)=O)cc1COc1ccc2c(CC)cc(=O)oc2c1 10198800 BPNFDXVIYSBXIL-UHFFFAOYSA-N 366.413 4.536 0 40 FJAB COc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 10219554 KJOGRUGJQJKNFU-UHFFFAOYSA-N 370.499 4.940 0 40 FJAB COCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 10315647 SMIDYDWFIGDGAV-UHFFFAOYSA-N 363.288 4.732 0 40 FJAB CCOC(=O)c1sc(Nc2ccc(F)cc2Cl)nc1C(F)(F)F 12394354 MOZUTADLSBPZGK-UHFFFAOYSA-N 368.739 4.875 0 40 FJAB O[C@@H](Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1 12629706 ROVKSFAIIAHYCL-KRWDZBQOSA-N 355.850 4.547 0 40 FJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C)c1 12771295 CVBCINANGLJCRM-UHFFFAOYSA-N 369.852 4.751 0 40 FJAB Cc1nc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)cs1 12780856 BCKLGUCBXRKSCO-SECBINFHSA-N 363.533 4.980 0 40 FJAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1Cl 12920805 MTXWNNOTDYBVDV-UHFFFAOYSA-N 350.852 4.786 0 40 FJAB CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccccc2)cc1 15480189 MDJJAAZTVJQRNK-UHFFFAOYSA-N 369.442 4.678 0 40 FJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)cc1 16162131 INZYHODIKDPZRB-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(C(=O)c2ccccc2)cc1 18194221 ABRRVERUPYWRDU-UHFFFAOYSA-N 367.807 4.891 0 40 FJAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3cn(C)nc3C)c(-c3ccccc3)c2c1 19660190 PBCHYAMTLBHKFY-HNNXBMFYSA-N 372.472 4.676 0 40 FJAB Cc1ccc(CNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)nc(C)n2)cc1 19717890 FUBJWKCOZWOLCL-HNNXBMFYSA-N 363.509 4.631 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC 20047804 WJUFBNZWLJVMKA-OAHLLOKOSA-N 359.491 4.748 0 40 FJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(Cl)ccc1F 23119538 CJLVCRPGINEFDL-UHFFFAOYSA-N 364.804 4.923 0 40 FJAB CCc1cc2c(Oc3ccc(F)cc3Br)ncnc2s1 24057703 NNAVGJGTULUQEC-UHFFFAOYSA-N 353.216 4.948 0 40 FJAB CCc1c(C(=O)Nc2ccc(C)cc2F)cnn1-c1cccc(Cl)c1 24762586 CXSCTCGTMZUKKV-UHFFFAOYSA-N 357.816 4.788 0 40 FJAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cnc2ccccc2n1 27276565 YGNNMVIXSVVIHM-UHFFFAOYSA-N 373.387 4.600 0 40 FJAB COc1ccc([C@H](NC(=O)c2cc(C)nc3cc(F)ccc23)C2CC2)cc1 31912120 PHXGSFLZUQDSCB-OAQYLSRUSA-N 364.420 4.572 0 40 FJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)Nc1cc(C)on1 32841357 OCWAXRJYSOSHPL-UHFFFAOYSA-N 353.422 4.589 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 36398180 USKXNCXJSDSNLL-GFCCVEGCSA-N 373.865 4.573 0 40 FJAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(Oc2ccccc2)nc1 40153943 RERAAUYPLMWXRJ-UHFFFAOYSA-N 356.385 4.516 0 40 FJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 44842560 JVLDEFAWTWGLKS-OAQYLSRUSA-N 363.457 4.712 0 40 FJAB Cc1ccc(-c2nc(C(=O)NCc3nc4ccccc4s3)cs2)cc1 48231507 VPJFDRYDNMQUDP-UHFFFAOYSA-N 365.483 4.658 0 40 FJAB COC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 56449387 VRXWJXCDJOPJGM-UHFFFAOYSA-N 359.234 4.510 0 40 FJAB CCOC(=O)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327487 CFSXZNRXICVZBE-UHFFFAOYSA-N 363.129 4.905 0 40 FJAB Cc1ccc(OCCn2cc(C=O)c3cc(Br)ccc32)cc1 59109394 SZWAHALKSNQHPJ-UHFFFAOYSA-N 358.235 4.604 0 40 FJAB FC(F)(F)c1nc(N2CCC(Nc3ccccc3)CC2)c2ccccc2n1 64113951 ZCRUSCYPYQLFSC-UHFFFAOYSA-N 372.394 4.730 0 40 FJAB O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1SCc1cscn1 69486950 ONSRESMCRDPBFW-UHFFFAOYSA-N 366.471 4.564 0 40 FJAB O=C(N[C@@H]1CCc2ccccc2C1)c1sccc1-c1ccc(F)cc1 84581795 PGTXICIFDKSSBI-GOSISDBHSA-N 351.446 4.842 0 40 FJAB CCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038073 LSRPLIKIHKJWEY-UHFFFAOYSA-N 372.472 4.664 0 40 FJAB Brc1ccccc1-c1cs/c(=N/c2cccnc2)n1C1CC1 103462397 UEXRAZSFVKFGKX-LVZFUZTISA-N 372.291 4.941 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]32)C1 118939743 SCNWNOJSZNDWCA-UOUDCZANSA-N 362.510 4.662 0 40 FJAB Cc1cccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 222745510 MVIWELQRJVDDPH-IBGZPJMESA-N 369.530 4.955 0 40 FJAB CC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 222930978 OTZKGWLLXBBRBW-LJQANCHMSA-N 355.478 4.521 0 40 FJAB Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1F 225601635 FPFSHOIYWPFWHA-UHFFFAOYSA-N 357.406 4.727 0 40 FJAB C[C@@H](c1ccccc1)N1C[C@H](c2nc(C3CCCCCC3)no2)CC1=O 647695052 GSUIDQIERQRJAA-MAUKXSAKSA-N 353.466 4.585 0 40 FJAB Cc1cccc(C(C)(C)NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 680520118 PWENACOTHDMCNC-WOJBJXKFSA-N 370.468 4.589 0 40 FJAB Clc1ccc(CSc2nc(-c3ccc4c(c3)OCO4)ns2)cc1 1889166611 CDPAEGLUSUVBKD-UHFFFAOYSA-N 362.863 4.880 0 40 FJAB Cc1cc(-c2ccccc2)c2c(N)c(C(=O)NC3CCCCC3)sc2n1 936158 BYSJIVCVRXJLQX-UHFFFAOYSA-N 365.502 4.916 0 40 FJAB CCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCC 1696867 IZVDQOHNHUSNIG-UHFFFAOYSA-N 360.020 4.654 0 40 FJAB CCN(C(=O)CCc1ccc(OC)cc1)c1nc2cc(Cl)ccc2s1 3448395 DOWDSGFIFOHTRJ-UHFFFAOYSA-N 374.893 4.944 0 40 FJAB CCn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1 3466101 PPEUCMUXQXJLBD-UHFFFAOYSA-N 358.517 4.929 0 40 FJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@H](c3ccccc3)CN12 4086965 ZJWNQSNCOZVELZ-WMZHIEFXSA-N 350.421 4.859 0 40 FJAB biogenic COc1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1OC 4385579 LHRUWHGYSGYONK-UHFFFAOYSA-N 358.441 4.693 0 40 FJAB COc1ccc(NC(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 4649860 YMBDIKWQONTQBX-UHFFFAOYSA-N 358.401 4.654 0 40 FJAB CCc1cc2ccccc2nc1SCC(=O)c1ccc2c(c1)OCCO2 4849204 YKOFCIAEVUQJOL-UHFFFAOYSA-N 365.454 4.543 0 40 FJAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)c(C)s1 5001231 IMGNUXQUAULXCM-UHFFFAOYSA-N 367.449 4.502 0 40 FJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 5546506 YZNDGPAPIRBEDO-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 5892052 DQPLDWZBUJKHMM-UHFFFAOYSA-N 365.260 4.509 0 40 FJAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NC1CCCCCC1 6188381 DNJUPUSRTHQXTI-UHFFFAOYSA-N 361.489 4.797 0 40 FJAB CC(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)nc1C 6552444 DWORXSIDBSSIMP-UHFFFAOYSA-N 364.470 4.815 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6626646 GOTSEGXRUQXEJO-UHFFFAOYSA-N 361.869 4.672 0 40 FJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1Cl 6639228 RLBJWUDDRXFUJM-ZDUSSCGKSA-N 354.837 4.941 0 40 FJAB CC(C)COc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 6804383 GDGVXBCLMONIQZ-UHFFFAOYSA-N 360.457 4.963 0 40 FJAB Cc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)s1 8188913 XICHGLZQMXBGQV-UHFFFAOYSA-N 360.464 4.809 0 40 FJAB CC(C)c1csc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)n1 8326355 UPMHMMPLJMLKBT-UHFFFAOYSA-N 352.463 4.582 0 40 FJAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccco1 8367686 HZWJDCATIPAJGT-UHFFFAOYSA-N 368.396 4.727 0 40 FJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@@H]1CC=CCC1 12796703 PXBFVZLGBPQSCS-OAQYLSRUSA-N 371.484 4.571 0 40 FJAB CCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 12972357 QWOJQRQDSOYXLS-UHFFFAOYSA-N 374.488 4.876 0 40 FJAB Cc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 14121648 KWXGGRLEONHJFI-UHFFFAOYSA-N 360.335 4.639 0 40 FJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1Cl 16308883 SQRSLDPFTXHZRB-VYENPZKTSA-N 365.864 4.902 0 40 FJAB COc1cc2c(cc1OC)C(C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)=NCC2 18155439 JZAAMTICFFUNDT-ZXPDZVFASA-N 359.897 4.627 0 40 FJAB Cc1ccc(NC(=S)NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 18175959 YFDHSYLOSKBZMO-LVBDODCMSA-N 356.535 4.805 0 40 FJAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 18180616 XOMAXNBMZRWYDI-AWEZNQCLSA-N 372.515 4.516 0 40 FJAB Cc1ccc(/C=C2\Sc3nnc(C(F)F)n3N=C2c2ccccc2)s1 26465096 UWPONUIJVLTJTI-LCYFTJDESA-N 374.441 4.985 0 40 FJAB O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccccc1Br 27077521 QSKHEMOMADGPSH-UHFFFAOYSA-N 374.156 4.643 0 40 FJAB Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 27582737 PCNDSLWCGGMEFZ-OAQYLSRUSA-N 370.924 4.996 0 40 FJAB CSc1ccc(CN(C)C(=O)c2csc(-c3ccsc3)n2)cc1 31598129 ITFUDLWHGDZOSF-UHFFFAOYSA-N 360.529 4.866 0 40 FJAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1 32647715 JSRFFHFMKATMAX-UHFFFAOYSA-N 359.351 4.511 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)c2cc3cc(C)ccc3nc2C)c1 32854559 DPYJBOYJAXZAEM-UHFFFAOYSA-N 364.445 4.901 0 40 FJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)OCc1ccccc1F 36648331 LJGRQMJAKJKZBO-UHFFFAOYSA-N 361.825 4.889 0 40 FJAB CC1(C)CC(N(Cc2cccnc2)Cc2ccccc2F)CC(C)(C)N1 36740470 GTQKMVKCXFWBAM-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB COCCN(Cc1cccs1)C(=O)c1oc2c(Cl)cccc2c1C 39532675 JOYPJLFXRXVBQB-UHFFFAOYSA-N 363.866 4.745 0 40 FJAB OC1=Nc2c(ncn2-c2ccccc2C(F)(F)F)[C@@H](c2ccc(O)cc2)C1 40267514 FOGABCIDGCDGRU-CYBMUJFWSA-N 373.334 4.720 0 40 FJAB Cc1nc2c(c(C)c(C)n2Cc2ccccn2)c(N)c1Cc1ccccc1 40267960 NBJARYKWZUMCOL-UHFFFAOYSA-N 356.473 4.578 0 40 FJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@]1(Cc1c(F)c(F)cc(F)c1F)C(=O)O 44830500 QTSMZMCWJHXXGO-VFZGTOFNSA-N 371.157 4.832 0 40 FJAB Cc1cc(C)c(OCC(=O)O[C@@H](c2ccccc2)c2ccncc2)c(C)c1 48313022 YFGAEUBJKYKHFB-QHCPKHFHSA-N 361.441 4.718 0 40 FJAB CCc1nc(CC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cs1 50357866 LARROLNCCZJWLS-UHFFFAOYSA-N 357.306 4.606 0 40 FJAB CCc1ccc(CNC(=O)Nc2ccc(Cc3ccncc3)cc2)s1 58201685 GKTNQCUWEWVFBA-UHFFFAOYSA-N 351.475 4.618 0 40 FJAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1Cl 58216203 FKTPBJZQVPLWSD-QFIPXVFZSA-N 350.764 4.947 0 40 FJAB O=C(CCSc1ccccc1)N1CCCc2cc(OC(F)F)ccc21 65847640 QUNLAWWNLFHCOQ-UHFFFAOYSA-N 363.429 4.750 0 40 FJAB CCCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67259715 URMKGOWLDRUACV-UHFFFAOYSA-N 360.429 4.767 0 40 FJAB Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(O)c1Cc1ccccc1 101860353 IVAQCHRSUUTGRT-UHFFFAOYSA-N 363.848 4.963 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 216240837 SNRNPJFIVZUIFY-CQSZACIVSA-N 359.491 4.947 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223247125 SSBVFEAQCNOYNX-VGSWGCGISA-N 351.490 4.827 0 40 FJAB Cc1ccc(SCCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224121401 JGDVXTHSQLZSGF-UHFFFAOYSA-N 363.910 4.634 0 40 FJAB COc1ccc(C(=O)NC2CCCC2)cc1COc1cccc(Cl)c1 224142270 HVYHWSBANCIFLE-UHFFFAOYSA-N 359.853 4.600 0 40 FJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 224423513 JPBSLBDNCWSAHC-GOSISDBHSA-N 369.505 4.725 0 40 FJAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 224680170 ZQQUTOSUIQJLGO-OALUTQOASA-N 369.505 4.778 0 40 FJAB C[C@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccccc1Cl 224941291 LETWEVBXPPZUKM-MRXNPFEDSA-N 367.876 4.867 0 40 FJAB Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C 225542760 VKIJCZQAZKTRFS-UHFFFAOYSA-N 361.470 4.529 0 40 FJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCC)c(C)c1 225908517 LOOFWBKEPJUALK-HXUWFJFHSA-N 350.503 4.883 0 40 FJAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccnc1Cl 408624689 YZBLWGFJFPFNBH-UHFFFAOYSA-N 367.767 4.935 0 40 FJAB CC(C)(C)c1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)[nH]n1 608154051 LZUJFIBTKVCBGI-UHFFFAOYSA-N 370.840 4.800 0 40 FJAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3nc2c1 786897 FXBKVVNVKNGEOY-UHFFFAOYSA-N 351.406 4.732 0 40 FJAB CCOC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 938351 KGDAHESZZFEENY-JTQLQIEISA-N 362.451 4.541 0 40 FJAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952270 VFWWPLZTJBHPCO-LSDHHAIUSA-N 366.413 4.569 0 40 FJAB biogenic O=C1C[C@@H](c2ccco2)Cc2nc(Nc3cccc(C(F)(F)F)c3)ncc21 2224377 KZLNBWCGZBGZOO-NSHDSACASA-N 373.334 4.745 0 40 FJAB Cc1ccc([C@H](CC(=O)N2CCCC2)c2ccc(OC(C)C)cc2)cc1 2255830 KPLTYWLSFZJGCN-QFIPXVFZSA-N 351.490 4.927 0 40 FJAB Cc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1 2434210 QOTMERGLPMQEHJ-UHFFFAOYSA-N 374.465 4.828 0 40 FJAB CCN(CC)C(=O)N[C@@H](c1ccc(C)c(F)c1)C(Cl)(Cl)Cl 3177712 KFSFOFIXRZZDMD-LBPRGKRZSA-N 355.668 4.597 0 40 FJAB COc1ccc(-c2nc(NC3CCCCC3)sc2CCC(=O)O)cc1 3200625 JDIWPNRTWVMNKN-UHFFFAOYSA-N 360.479 4.581 0 40 FJAB COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(OC)cc1Cl 3422737 HHMAMTUQXRZJPF-UHFFFAOYSA-N 359.731 4.628 0 40 FJAB C[C@H](CCN1CCN(CC[C@@H](C)CC(C)(C)C)S1(=O)=O)CC(C)(C)C 4410074 HDHMBRCOASJWNT-QZTJIDSGSA-N 374.635 4.774 0 40 FJAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4540036 MGCBIMPPEFILPU-HXUWFJFHSA-N 361.372 4.532 0 40 FJAB CC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 5252265 BUTNRDUZYVIXTH-UHFFFAOYSA-N 370.452 4.905 0 40 FJAB COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCCCC2)cc1 5611998 AMRMXJKXVMJVNB-UHFFFAOYSA-N 358.507 4.612 0 40 FJAB O=C(CSC1=Nc2ccccc2CS1)Nc1c(F)cccc1F 6588112 YZMGKXIDVDNREY-UHFFFAOYSA-N 350.415 4.571 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccsc2)cc1 6679086 VRQFTEPZQBVHHR-DYVFJYSZSA-N 369.515 4.714 0 40 FJAB FC(F)(F)c1cccc(NC(=S)NCCSCc2ccco2)c1 6832127 GQGSECUBFZKZGI-UHFFFAOYSA-N 360.426 4.518 0 40 FJAB CC(C)c1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1 8023885 DYVDQEAIUSQUSK-YLJYHZDGSA-N 356.466 4.884 0 40 FJAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCc2ccccc21 8126660 ONTRIUKBHNWJAM-SFHVURJKSA-N 363.288 4.941 0 40 FJAB O=C(NCCCc1ccccc1)N[C@@H](c1ccccc1)c1cccs1 8751570 FTOGZJQOTJJLDN-FQEVSTJZSA-N 350.487 4.770 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C3CCCC3)ccc1O2 9135356 RXZVJOLYOBKWAG-UHFFFAOYSA-N 350.418 4.506 0 40 FJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C(C)C)cc2)o1 9204767 DGXFIKPFHQIYRG-UHFFFAOYSA-N 367.445 4.912 0 40 FJAB COc1ccc2cc(CNC(=O)COc3ccccc3C(C)C)ccc2c1 11122645 WIQDLGFWABNHHK-UHFFFAOYSA-N 363.457 4.667 0 40 FJAB CCC(CC)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 11428397 VGMDZVDWEUQTOR-UHFFFAOYSA-N 368.481 4.807 0 40 FJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccncc3)on2)cc1 12120298 DBRFBDGGQNCFGX-NRFANRHFSA-N 363.461 4.863 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3C)c(=O)oc2c1 12770209 VGEKVPCVZOYZAM-UHFFFAOYSA-N 369.848 4.943 0 40 FJAB C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)c3ccc(F)c(F)c3)cc2C1 14675994 XPSBYXLGEURCLA-GHMZBOCLSA-N 364.413 4.579 0 40 FJAB CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c2cccnc12 15840790 QAHKOOXRHAGSHY-UHFFFAOYSA-N 356.425 4.968 0 40 FJAB CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3ccccc3nc21 16974898 GZMCELUAMTUZJB-UHFFFAOYSA-N 374.444 4.646 0 40 FJAB Cc1ccc(OC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 21598088 RRAHCPFFABRTOA-UHFFFAOYSA-N 356.809 4.545 0 40 FJAB CN(CCOc1ccccc1F)C(=O)c1sc2ccccc2c1Cl 21709418 NXIMUSHIMUVQKN-UHFFFAOYSA-N 363.841 4.845 0 40 FJAB COC[C@H](C)n1c(S[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 23074554 LFSLJGJXPABOEB-UONOGXRCSA-N 372.465 4.596 0 40 FJAB CSc1cccc(NC(=O)Cc2csc(Nc3ccccc3)n2)c1 23136544 KAAGLHUSIZQVPA-UHFFFAOYSA-N 355.488 4.790 0 40 FJAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1cccc2ccccc12 23433816 SDVQCMIKMRWXMH-LBPRGKRZSA-N 353.805 4.713 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1 25214211 DKHVHFXVHNXSOV-NSHDSACASA-N 372.774 4.986 0 40 FJAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc4ccccc4c3s2)C1 27065441 OWNWRUPAASKTJN-LBPRGKRZSA-N 373.499 4.531 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2cc(C)ccc2C)cc1 27395581 CJDQZGFYAFOKTF-OAQYLSRUSA-N 365.473 4.639 0 40 FJAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 27685814 YPRHIDDISGSWPI-ORAYPTAESA-N 359.853 4.686 0 40 FJAB COc1ccc(-c2nsc3c2N=C(O)C[C@H]3c2ccc(OC)cc2)cc1 32073757 ZQNCCBNXYYQLQS-INIZCTEOSA-N 366.442 4.951 0 40 FJAB Cc1ccc(C(C)(C)C)cc1SCc1cc(=O)n2cccc(C)c2n1 32862855 NTIDLRAGCDCWJL-UHFFFAOYSA-N 352.503 4.901 0 40 FJAB O=C(NCc1ccccc1F)N(Cc1ccccc1C(F)(F)F)C1CC1 40151576 NFSHPYVXAQCPLG-UHFFFAOYSA-N 366.358 4.719 0 40 FJAB COC(=O)c1cccc(Nc2ccnc3ccc(Br)cc23)c1 40175591 QSBRDBUXNFSBRW-UHFFFAOYSA-N 357.207 4.528 0 40 FJAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccccc1Cl 43277780 KUOOGSOEEPQLIR-UHFFFAOYSA-N 369.896 4.638 0 40 FJAB CCOc1ccc(/C=C/C(=O)Oc2ccc3ccncc3c2)cc1OCC 48286279 LCOOADJWBCMRIT-UXBLZVDNSA-N 363.413 4.651 0 40 FJAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)n1 61139119 XFTZFKDAKGUSAD-UHFFFAOYSA-N 369.468 4.631 0 40 FJAB CCN(c1ccc(NC(=O)C[C@@](O)(c2ccccc2)C2CC2)cc1)C(C)C 89969458 KOKQSGMNVSBWIY-HSZRJFAPSA-N 366.505 4.548 0 40 FJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2c3ccccc3C[C@@H]12 104377917 IYWAWLBGIFSDDP-PTUXOGIPSA-N 371.436 4.864 0 40 FJAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCc3ccccc32)cc1 138281275 WNTYLPICWGWICT-STZQEDGTSA-N 360.501 4.558 0 40 FJAB Cc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Cl 218924402 SHHXEGMMVQJDBJ-KRWDZBQOSA-N 373.880 4.754 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223904705 AYKVRXYMJPKHTJ-GOSISDBHSA-N 365.395 4.796 0 40 FJAB Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(C)o3)cn2)c1 223908000 IDQIPFAZNRZKNK-UHFFFAOYSA-N 352.463 4.522 0 40 FJAB Cc1ccc(OCCNC(=S)Nc2ccc(Cl)cc2)cc1Cl 224191991 CONKGOHNAZFOBR-UHFFFAOYSA-N 355.290 4.667 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C)n1 225861633 ZDBXLWZYUVDYEL-UHFFFAOYSA-N 356.441 4.768 0 40 FJAB O=C(Nc1ccccc1-c1ccccc1)c1ccnc(OC2CCOCC2)c1 252495376 OPBPHOCJCIUYIJ-UHFFFAOYSA-N 374.440 4.559 0 40 FJAB CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409016153 USXQPOYUNXMDRB-GMROUXNLSA-N 369.870 4.582 0 40 FJAB CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409185691 OSGPLNZQEHLCBF-XDJHFCHBSA-N 361.397 4.636 0 40 FJAB Fc1ccc2c(NC[C@H]3CCCN(Cc4cccs4)C3)ccnc2c1 500463355 NHEGOOMNXZHWDX-OAHLLOKOSA-N 355.482 4.760 0 40 FJAB CCN(Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)cc1)C(C)C 624902319 QUBWHNNYSKUIQE-UHFFFAOYSA-N 356.897 4.773 0 40 FJAB COc1c(S(=O)(=O)Nc2ccccc2C(C)C)ccc(Cl)c1Cl 1776004451 RVOAXOZHQCWQEU-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB O=Cc1nc(Br)c(-c2cc(Cl)c(Cl)c(Cl)c2)[nH]1 1857794889 RFDUVYHEOWOLCW-UHFFFAOYSA-N 354.418 4.612 0 40 FJAB O[C@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc12)[C@H]1CCCCN1 1683267 YVTAGCVIOXWKOW-TZIWHRDSSA-N 352.865 4.731 0 40 FJAB COc1ccc(N[C@H](c2ccc(Cl)cc2)P(=O)(OC)OC)cc1 2322807 IQFUKIKXMKZBQE-INIZCTEOSA-N 355.758 4.945 0 40 FJAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(F)cc1 2474938 VHYBNGPVUVQMTF-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB CCCNC(=S)Oc1cccc(C(=O)Nc2cccc3ccccc23)c1 3088477 MLQOGOFBKIJKMZ-UHFFFAOYSA-N 364.470 4.755 0 40 FJAB Cc1ccc(C(=O)N[C@H](Nc2ccccc2)C(Cl)(Cl)Cl)cc1 3150352 OLQFFUAATKNTFN-HNNXBMFYSA-N 357.668 4.533 0 40 FJAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 3648897 ZXYFJRCHGYTAAR-ROUUACIJSA-N 374.484 4.662 0 40 FJAB Cc1ccc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCCO4)n2c1 3911525 HZDYICHIFSKWHI-UHFFFAOYSA-N 363.442 4.886 0 40 FJAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(F)cc3)s2)c1C 4070391 DSBPFNXQZFXQKO-UHFFFAOYSA-N 355.438 4.830 0 40 FJAB O=C(NCc1ccccc1F)c1cc2sccc2n1Cc1ccccc1 4971026 JDAJWHRIKYKYSX-UHFFFAOYSA-N 364.445 4.820 0 40 FJAB CCOc1ccccc1NC(=O)c1ccc(COc2cccc(C)c2)o1 5032909 YVGHHAQRKQPOKM-UHFFFAOYSA-N 351.402 4.818 0 40 FJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)nc1 6306480 GTEILEDCYUJWOC-UHFFFAOYSA-N 350.849 4.687 0 40 FJAB O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccccc1F 6643852 ROGCELBNPDNLFD-UHFFFAOYSA-N 374.209 4.759 0 40 FJAB Cc1sc2nc(CSCc3ccc(Cl)cc3)[nH]c(=O)c2c1C 6657817 VMGMPPPTBQYRMQ-UHFFFAOYSA-N 350.896 4.688 0 40 FJAB Cc1cc(OCCCC(=O)Nc2ccc(F)c(F)c2F)ccc1Cl 6903806 NOQZTHIRDQUQPY-UHFFFAOYSA-N 357.759 4.863 0 40 FJAB Cc1nc(SCC(=O)NC2CCCCCC2)c2c(C)c(C)sc2n1 7264558 XNHWDMGWJCEYFB-UHFFFAOYSA-N 363.552 4.548 0 40 FJAB COc1ccc(CCSc2nnc(-c3cccs3)n2C2CC2)cc1 7763681 AJRCOACKNHRFEQ-UHFFFAOYSA-N 357.504 4.685 0 40 FJAB Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c1 7909646 XXUJUOICGOMFGQ-GOSISDBHSA-N 365.502 4.689 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1ccn(Cc2ccccc2C)n1 8571185 ZSYYJDQEMDZRFY-UHFFFAOYSA-N 370.840 4.546 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 8738902 JEEIGBWVCUIANF-UHFFFAOYSA-N 369.465 4.818 0 40 FJAB Cc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 9364509 PVEORWGPABIUBP-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB Cc1c([C@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc2n1C 9668891 ULVFRCPNISSFTA-JOCHJYFZSA-N 356.425 4.825 0 40 FJAB O=C(NCc1coc(-c2cccs2)n1)c1csc(-c2cccs2)n1 10881206 RYTSOHIRSWBERR-UHFFFAOYSA-N 373.484 4.518 0 40 FJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nc3c(s2)CCCC3)c1 11917341 WFNBGTIFEXYKLV-CQSZACIVSA-N 358.507 4.860 0 40 FJAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cccc(Cl)c1Cl 12893580 YBBHURAIBBGKSX-GFCCVEGCSA-N 374.314 4.509 0 40 FJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1F 12898165 UGNGCUPUUHDVJE-VIFPVBQESA-N 364.442 4.949 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cc2c(cc1Cl)OCO2 12917669 WEYCLWVXPSCMTB-UHFFFAOYSA-N 356.809 4.511 0 40 FJAB C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 13019437 JCFGCIYPISFCRI-UGSOOPFHSA-N 358.279 4.746 0 40 FJAB Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 13575194 DXQIHRVAOXMORZ-UHFFFAOYSA-N 373.452 4.852 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc(C)c1Cl 14396990 ZUXNCPBDATWCBQ-SJORKVTESA-N 359.897 4.862 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 14576992 BERYNSJXOIZEKI-DEOSSOPVSA-N 359.469 4.842 0 40 FJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2cccc(Cl)c2)c1Cl 14704463 ZWGRZLFADSIKFN-UHFFFAOYSA-N 366.031 4.634 0 40 FJAB COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 17903912 VNQCMEQTUOJJBX-UHFFFAOYSA-N 371.440 4.728 0 40 FJAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 20137654 DBRQACCUCNXMIA-UHFFFAOYSA-N 365.429 4.823 0 40 FJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)C1(c2ccccc2)CCCC1 20143586 UDVCGXOGVCVJLJ-UHFFFAOYSA-N 361.441 4.889 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 20452832 NMTKUNGAMXQTCU-KUHUBIRLSA-N 361.869 4.774 0 40 FJAB COc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 20484314 ABQRECCEWABZCW-GFCCVEGCSA-N 367.873 4.598 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(F)c(NC(C)=O)c1 30010635 DBNLLKSTZYVQJE-ZIAGYGMSSA-N 371.456 4.737 0 40 FJAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 30889226 GFJRUMCKJSHHCP-QGZVFWFLSA-N 373.452 4.892 0 40 FJAB COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nn1Cc1ccccc1 32611507 YVBZOXLYCIXFLV-UHFFFAOYSA-N 370.840 4.546 0 40 FJAB Cc1cccc2sc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c(Cl)c12 32906819 PFNVXLSZQZEUSZ-HNNXBMFYSA-N 372.921 4.896 0 40 FJAB CCOC(=O)c1c(O)cccc1/C=C/c1ccc(Br)s1 35973546 WIJBSFAWXRAZHX-VOTSOKGWSA-N 353.237 4.563 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 38835573 GAKVAPUNNADLSL-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB C[C@@H](c1ccccc1Cl)N(CC(=O)Nc1ccc(F)c(F)c1)C1CC1 40149514 LRQBFYXPOOVHHM-LBPRGKRZSA-N 364.823 4.782 0 40 FJAB Cc1cnc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cn1 40157047 HNXKZCJYZDYKRD-UHFFFAOYSA-N 357.335 4.723 0 40 FJAB Cc1ccccc1-c1csc2c(=O)n(Cc3ccccc3F)cnc12 44166980 BTBGQYNOOJSWMK-UHFFFAOYSA-N 350.418 4.621 0 40 FJAB C[C@H](Oc1ccc(C(=O)N(C)Cc2ccsc2)cn1)c1ccccc1 48324989 MUQJOAQAROPTAD-HNNXBMFYSA-N 352.459 4.555 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1C 48340279 SLUIZVKPKJTJAQ-CYBMUJFWSA-N 373.909 4.963 0 40 FJAB CCCn1c(C)cc(-c2csc(NC(=O)c3scnc3C)n2)c1C 48358774 CHPTXPBYSQATKT-UHFFFAOYSA-N 360.508 4.656 0 40 FJAB COc1cc(Cl)cc2c1OCC(=O)N(c1ccc(Cl)c(Cl)c1)C2 65184538 JFVKAIVBBFSXBY-UHFFFAOYSA-N 372.635 4.581 0 40 FJAB CC(C)(C)c1nc(-c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)no1 65882767 BFAFXCOUOGJNFN-UHFFFAOYSA-N 367.474 4.837 0 40 FJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2F)n1 67296749 ZMRSLSUVQSJALE-LVWGJNHUSA-N 373.387 4.760 0 40 FJAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C(C)C 69491030 LKYKIAGEILRSHK-IRXDYDNUSA-N 367.555 4.656 0 40 FJAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2c1 71459193 HMQIFWYGKGMUIC-UHFFFAOYSA-N 367.758 4.876 0 40 FJAB c1ccc(Cc2noc(CNc3ccccc3N3CCCCCC3)n2)cc1 71982126 VGAIUCXVODYNME-UHFFFAOYSA-N 362.477 4.653 0 40 FJAB CC(C)CNc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72213249 SUEYFLPALSHLDX-IBGZPJMESA-N 353.466 4.623 0 40 FJAB Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(-c2ccccc2)o1 84028742 WYZYMYZHBPGVTC-UHFFFAOYSA-N 360.335 4.599 0 40 FJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC2CCCC2)cc1 219356571 NURAAVXEFAWAHV-OAQYLSRUSA-N 369.461 4.813 0 40 FJAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222757485 VXNMFYSGUQNTLR-QZTJIDSGSA-N 369.877 4.597 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223073278 XXNPJGUBXHGBDD-VFNWGFHPSA-N 355.453 4.739 0 40 FJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223073396 XXNPJGUBXHGBDD-BTYIYWSLSA-N 355.453 4.739 0 40 FJAB CC(C)c1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223705074 XUSCABDYLWXIHA-UHFFFAOYSA-N 369.505 4.682 0 40 FJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223718794 DJTISKDLQZKILK-FQEVSTJZSA-N 369.505 4.645 0 40 FJAB Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224934657 NXGHXEMNRMXWHW-UHFFFAOYSA-N 364.681 4.780 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(N2CCCCC2)cc1 224978030 QGDSSUQCJXXWJL-UHFFFAOYSA-N 364.489 4.573 0 40 FJAB COC(=O)c1ccc(Cl)c(NC(=O)C2(c3ccccc3)CCCC2)c1 225236146 ITQGWZWPIOOZDJ-UHFFFAOYSA-N 357.837 4.577 0 40 FJAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225325717 ZFYXTXCXNWQCEH-UHFFFAOYSA-N 366.244 4.660 0 40 FJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(OC(C)C)c1 225704966 KUTSQHKSNOVZAI-HXUWFJFHSA-N 370.518 4.846 0 40 FJAB Cc1ccc(NC(=O)CSc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 614386786 TXQLYWIMQQTIAX-UHFFFAOYSA-N 365.380 4.621 0 40 FJAB O=C(Nc1cccc(F)c1)c1cc(Br)ccc1Br 642786 ADQDEJIHXIHXTE-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 680120 TYPZUCQCCYNFNF-UHFFFAOYSA-N 358.869 4.552 0 40 FJAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 756721 PZAPTLHHRQFOEH-UHFFFAOYSA-N 365.824 4.611 0 40 FJAB CC[C@]1(C)C[C@](CCN(Cc2ccco2)C(C)=O)(c2ccccc2)CCO1 1130542 UQORBKYGADPLOB-DHIUTWEWSA-N 369.505 4.935 0 40 FJAB biogenic Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C)c2)no1 1431329 HBVYVVAWXMKFGS-UHFFFAOYSA-N 362.216 4.913 0 40 FJAB CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCC2 2283713 JBTOAXNFUVYRJN-UHFFFAOYSA-N 372.490 4.626 0 40 FJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2)cc1 3437412 KYJWMEROZYEEGD-OAQYLSRUSA-N 360.457 4.514 0 40 FJAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1cccc2ccccc12 5009947 YTDHIIGKAZALFS-UHFFFAOYSA-N 369.449 4.722 0 40 FJAB COc1cc(CNCc2cccs2)ccc1OCc1ccccc1F 5019724 UPQDCUXPPGTEAF-UHFFFAOYSA-N 357.450 4.765 0 40 FJAB O[C@H]1CCCCCCCCCC[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 5022229 NTSJAHWLRPOMME-RYUDHWBXSA-N 350.343 4.734 0 40 FJAB Cc1ccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)cc1 5394414 UELJPUVNEUBQAW-UHFFFAOYSA-N 364.518 4.822 0 40 FJAB Cc1nnc(SCc2coc(-c3cccs3)n2)n1-c1ccccc1 6109203 QRKOEOURWWZZMM-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB CC[C@H](C(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1)c1ccccc1 6664323 WMRKAOMFAFLYIF-LPHOPBHVSA-N 367.518 4.667 0 40 FJAB CCCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccco1 6747378 JPFILMPQIISMJD-UHFFFAOYSA-N 353.418 4.894 0 40 FJAB O=C(Nc1ccc(Cl)cn1)c1cccnc1-c1nc2ccccc2s1 6759906 TUJMQHPHNXHVLI-UHFFFAOYSA-N 366.833 4.659 0 40 FJAB Clc1c(-c2nnc(SC[C@@H]3CCCO3)o2)sc2ccccc12 7081069 UNFJHOBYYRPHMW-VIFPVBQESA-N 352.868 4.876 0 40 FJAB Cc1csc(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2)n1 7780234 XEZKEGPMZXRXEM-UHFFFAOYSA-N 360.442 4.616 0 40 FJAB COc1cc(C)ccc1OCC(=O)N(c1ccccc1)c1nc(C)cs1 8778465 NMHRUFSXKWAYPS-UHFFFAOYSA-N 368.458 4.512 0 40 FJAB Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)o1 10235429 DMIQXNBVYYAQTH-UHFFFAOYSA-N 360.866 4.871 0 40 FJAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCCc2ccccc21 10964378 MDXBHMOLQHAJBB-ZDUSSCGKSA-N 354.500 4.756 0 40 FJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2cccnc2)oc2c(C)cccc12 12148278 OYTZTITWABAIFD-HXUWFJFHSA-N 356.425 4.964 0 40 FJAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 12346806 SLEDMRUUGVVGHR-UHFFFAOYSA-N 358.369 4.543 0 40 FJAB Cc1ccc(-n2c(C)nn(CN3CCC[C@H]3c3ccccc3)c2=S)cc1 12564598 HZLYXXQOVLYNBM-FQEVSTJZSA-N 364.518 4.815 0 40 FJAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)n(C2CCCC2)c1C 12603987 UEXNRBUICYSXQS-CQSZACIVSA-N 361.486 4.873 0 40 FJAB CCc1cccc(CC)c1NC(=O)CCCOc1ccc(C(C)=O)cc1 12797350 PTBRCXUXKAXZFH-UHFFFAOYSA-N 353.462 4.812 0 40 FJAB CC[C@H]1CCCCN1c1nc(-c2cccc(OC)c2O)nc2ccccc12 13127425 QKIPZWIPWXDLCI-HNNXBMFYSA-N 363.461 4.780 0 40 FJAB aggregator O=C(Cc1c(F)cccc1Cl)N[C@H]1CCSc2ccc(F)cc21 14185638 XCNRUMLDCPWMQP-HNNXBMFYSA-N 353.821 4.514 0 40 FJAB Cc1ccc(N)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 19736070 NGLJHDUJDJPGHW-UHFFFAOYSA-N 353.249 4.682 0 40 FJAB in-vitro O=C(COc1cc(Cl)ccc1Cl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 22408863 YDPXIUMQRAYBHB-GXSJLCMTSA-N 370.198 4.610 0 40 FJAB CN(C(=O)/C=C/c1ccc(Br)cc1)[C@H]1CCc2ccccc21 27820295 WSXWYSFSAGPACQ-RORWEDLISA-N 356.263 4.608 0 40 FJAB COCc1c(C(=O)OCc2cccc(OC)c2)sc2cccc(F)c12 30642523 HMDZYQGUEWGUAD-UHFFFAOYSA-N 360.406 4.552 0 40 FJAB COc1ccc(NC(=O)c2ccc(Cl)s2)cc1OCc1cccnc1 32832208 KTQHCKZSAMNLAJ-UHFFFAOYSA-N 374.849 4.636 0 40 FJAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 35078076 ICUOREAQMDYNIU-UHFFFAOYSA-N 372.399 4.875 0 40 FJAB Cc1nc2cc(C(=O)N(C)Cc3ccc(F)cc3)ccc2n1-c1ccccc1 36768387 AHAFFWIKAPEKIR-UHFFFAOYSA-N 373.431 4.745 0 40 FJAB Clc1ccc([C@@H]2CN(Cc3coc(-c4cccs4)n3)CCO2)cc1 40153703 LJJKDVGYAPUCCR-INIZCTEOSA-N 360.866 4.630 0 40 FJAB CCN(CC)c1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1 54362827 HCGLNJVFUCKDNJ-UHFFFAOYSA-N 361.441 4.726 0 40 FJAB CCn1c([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC3)nc2ccccc21 58332180 QCHXWLYPKCYFNX-OAQYLSRUSA-N 374.488 4.914 0 40 FJAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1ccc2c(c1)OCCCO2 65479105 NUGJERSJEOLWTG-UHFFFAOYSA-N 366.461 4.845 0 40 FJAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 72414378 DRRFMYOEZFMMGY-UHFFFAOYSA-N 374.289 4.526 0 40 FJAB Cc1ccc2[nH]nc(C(=O)N(Cc3cccs3)Cc3cccs3)c2c1 97286248 ZAUXMMKFGKCWLS-UHFFFAOYSA-N 367.499 4.837 0 40 FJAB COc1ccccc1N1C(=S)N[C@H]2c3cc(Cl)ccc3O[C@@]1(C)[C@@H]2C 101390534 NVNWYUCFWJAKQD-JPJOULJCSA-N 374.893 4.529 0 40 FJAB Cc1ccccc1[C@@H]1CC2=Nc3ncnn3[C@H](c3ccccc3F)C2=C(O)C1 102614282 KVTBMWMQZFXXBB-SPLOXXLWSA-N 374.419 4.791 0 40 FJAB O=C1/C(=C/Nc2ccccc2)c2ccccc2C(=O)N1c1cccc(Cl)c1 103005251 FLHPMZQWNZWPBJ-XSFVSMFZSA-N 374.827 4.980 0 40 FJAB C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103012777 PGISDGAAJMGOBF-FLTJSSMESA-N 367.464 4.959 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)cc1 113969096 ZYOIPRHBQPRQOB-KUHUBIRLSA-N 361.869 4.692 0 40 FJAB CC(C)(C)OC(=O)Nc1cc(Cl)nc(Cl)c1C(=O)OC(C)(C)C 115134908 RCXMPEQNIFMEKQ-UHFFFAOYSA-N 363.241 4.691 0 40 FJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 222884194 PUCYKLJZGUJFIK-UXHICEINSA-N 368.550 4.771 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 223322759 FTDPIBXANVZERD-HXUWFJFHSA-N 359.897 4.939 0 40 FJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)c1 224405184 AUIDIQOQIHIKJT-INIZCTEOSA-N 361.441 4.862 0 40 FJAB O=C(O)[C@H](Cc1ccc(Br)cc1)Oc1ccc2ccccc2c1 225066773 XCCYFTXYZJEIFT-SFHVURJKSA-N 371.230 4.677 0 40 FJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 225703913 RGDMUNQVMJWPAC-LPHOPBHVSA-N 355.478 4.601 0 40 FJAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c2cccnc12 225904354 PHMNXBBARJROTL-NRFANRHFSA-N 358.482 4.948 0 40 FJAB Fc1ccc2c(C3CCN(c4ccnc(-c5ccccc5)n4)CC3)noc2c1 574145566 FSFVDBUORKUBBQ-UHFFFAOYSA-N 374.419 4.808 0 40 FJAB O=C(COc1ccccc1)c1ccc(COc2cc(F)ccc2F)cc1 575242895 VLVMYATUYRHKQL-UHFFFAOYSA-N 354.352 4.806 0 40 FJAB CCCSCc1nnc2sc(CSc3ccc(Cl)cc3)nn12 1776111058 RRBGEIHWZOTANI-UHFFFAOYSA-N 370.956 4.775 0 40 FJAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 959343 CVEKXSLSWBJXLF-UHFFFAOYSA-N 356.422 4.584 0 40 FJAB COc1ccc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 1387412 BYCSCXWCGCDDGM-UHFFFAOYSA-N 363.364 4.717 0 40 FJAB CCCCNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12 2688955 NDYXQLNSVZFTDE-UHFFFAOYSA-N 351.841 4.810 0 40 FJAB Brc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 4271867 HSQBHGYEQAJOQJ-UHFFFAOYSA-N 358.264 4.593 0 40 FJAB CCCCOc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 4479497 FLQPOYLCVKCQRF-UHFFFAOYSA-N 365.433 4.785 0 40 FJAB Cc1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)cc1 4664989 IAEGLOWMSQSRHA-UHFFFAOYSA-N 371.263 4.591 0 40 FJAB COc1cccc2c1OC1(CCCCC1)N1N=C(c3cccs3)C[C@H]21 4715935 ZWPMELSVVMJAKX-MRXNPFEDSA-N 354.475 4.961 0 40 FJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 4910454 QWCGLTHZPUDYLF-QGZVFWFLSA-N 353.462 4.973 0 40 FJAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ncoc2-c2cccc(C)c2)c1 5001988 KATHAMFBVWARPX-UHFFFAOYSA-N 369.808 4.514 0 40 FJAB O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc2c1Cc1ccccc1-2 5021771 NFMTWWQTJVLAMM-JXAWBTAJSA-N 362.432 4.912 0 40 FJAB COc1ccc(C)cc1CSc1nnc(-c2ccc(Cl)cc2)n1C 5314533 CHWAUTVCCSGSGE-UHFFFAOYSA-N 359.882 4.745 0 40 FJAB CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@H](CC)C2 6122632 TXGWRROMVUXHJW-AWEZNQCLSA-N 371.502 4.621 0 40 FJAB Cc1cc(C)cc(-n2c(S)nnc2-c2ccc(Br)cc2)c1 6183574 KNNDKNBGIOTTSF-UHFFFAOYSA-N 360.280 4.602 0 40 FJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1 6331775 AOZGIWZALUGWSS-FPYGCLRLSA-N 354.606 4.894 0 40 FJAB O=C(/C=C/c1nc2ccccc2s1)NCc1cccc(C(F)(F)F)c1 6545136 KVNOBRGNJQUOJA-CMDGGOBGSA-N 362.376 4.645 0 40 FJAB O=C(NCc1cccnc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 6616215 UIRWVMBWLJONRL-UHFFFAOYSA-N 373.843 4.880 0 40 FJAB Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1C 6815106 YVYVAJVWOIEJAQ-UHFFFAOYSA-N 358.894 4.702 0 40 FJAB Cc1cc(C)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)c1 8333239 OJWQOPLHZABNEU-VXLYETTFSA-N 362.454 4.720 0 40 FJAB Cc1ccc(CNC(=O)c2ccccc2SCc2cc(C)no2)cc1 9483251 AWMUGTMZRVZSOA-UHFFFAOYSA-N 352.459 4.514 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 9690222 WTUGIQDQBVIPNL-BQYQJAHWSA-N 355.409 4.776 0 40 FJAB O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccc(F)cc1 10443322 FJICBTWMIALYLL-UHFFFAOYSA-N 362.429 4.817 0 40 FJAB Cc1cccc(-n2ccnc2SCc2cn3cc(Cl)ccc3n2)c1 11197395 HXAPIIMXDKWCQC-UHFFFAOYSA-N 354.866 4.774 0 40 FJAB CCOC(=O)c1ccccc1OC(=O)c1sc2ccccc2c1Cl 12137494 OOGVEGOVFSPZSM-UHFFFAOYSA-N 360.818 4.951 0 40 FJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2o1 12753375 ZYFKOVJTYHLZMS-JTQLQIEISA-N 363.339 4.594 0 40 FJAB CCCCC1CCC(C(=O)NCc2cccc(NC(=O)C(C)C)c2)CC1 13009407 XKARJUMONWTYCT-UHFFFAOYSA-N 358.526 4.894 0 40 FJAB CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 14219090 ASSHILRHSBDGPR-LLVKDONJSA-N 358.290 4.595 0 40 FJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)cc1C(F)(F)F 16101127 FRNDRRNUSARYBT-UHFFFAOYSA-N 370.179 4.813 0 40 FJAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 16162019 MDWFVUAECCJRBM-UHFFFAOYSA-N 371.440 4.810 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1ccco1 18075986 DODKCMHECQCNGF-UHFFFAOYSA-N 351.471 4.539 0 40 FJAB Cc1nn([C@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)c(C)c1C 19654575 LFMIKNPACNPSHY-OAHLLOKOSA-N 366.513 4.635 0 40 FJAB CCCc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)n1CC 20033706 APKQDYVMNZXENU-UHFFFAOYSA-N 358.294 4.532 0 40 FJAB O=c1c(I)c(C2=CCCCC2)sc2ccccc12 21997189 QQITYAMANADNFO-UHFFFAOYSA-N 368.239 4.824 0 40 FJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccnc(Cl)c1 22615468 JTDWNRBPFQQPAJ-UHFFFAOYSA-N 365.138 4.582 0 40 FJAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@H]1c1ccccc1 23024036 CXMZLJKAZXUAIR-SFHVURJKSA-N 369.262 4.908 0 40 FJAB CCC(CC)C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27747544 XNLXGSGSALUNCM-HXUWFJFHSA-N 364.489 4.861 0 40 FJAB CC(C)N(C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)C(C)C 28297111 PFFTVCXOTOLTFR-INIZCTEOSA-N 362.945 4.653 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1ccn(-c2ccc(F)cc2)n1 32645955 YCAYIWUSYKKVNS-UHFFFAOYSA-N 350.180 4.571 0 40 FJAB COc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1OC(C)C 32837411 NFTZXKISQNYJJI-UHFFFAOYSA-N 369.339 4.633 0 40 FJAB CCC[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccccc1 32924186 IOIVLZHSPRRZCX-IBGZPJMESA-N 363.461 4.717 0 40 FJAB CCOc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 33171492 DWYSAPIEBDMYFW-UHFFFAOYSA-N 369.471 4.911 0 40 FJAB CC1CCN(C(=O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)CC1 41127657 GKSBHOXUXGSBMC-UHFFFAOYSA-N 368.864 4.949 0 40 FJAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCC[C@H]1C1CCCCC1 58130390 XYDPJFYKYGDATC-FQEVSTJZSA-N 368.546 4.848 0 40 FJAB CCC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)cc1 58356434 SWGPREUDIHWWHN-UHFFFAOYSA-N 352.415 4.524 0 40 FJAB Cc1cc(NCc2cccc(Cn3cncn3)c2)nc2c(C(C)C)cccc12 65498720 NWZXLQNLNGFSDT-UHFFFAOYSA-N 371.488 4.919 0 40 FJAB CCOc1cccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)c1 71326686 HJGTZNMJWPNXPV-UHFFFAOYSA-N 373.522 4.525 0 40 FJAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2cccs2)no1 71868920 POKWJQRWWCXMAR-SECBINFHSA-N 373.438 4.576 0 40 FJAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212026 OOWCLPBSMNNEOI-NRFANRHFSA-N 358.441 4.638 0 40 FJAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C2CCCCC2)C1 72358337 QNPQJTPHNFQPMB-KRWDZBQOSA-N 351.494 4.664 0 40 FJAB Cc1cc(CNc2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)no1 79173953 MEILMNVGNDVMLN-STQMWFEESA-N 361.873 4.652 0 40 FJAB O=C(N(c1ccccn1)c1ccccn1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101581869 YOPRVBOLIGBAHF-AJHHTPGJSA-N 367.880 4.719 0 40 FJAB C(=C/c1cnc(Nc2cc(C3CCNCC3)ccn2)s1)\c1ccccc1 143381925 QQONKYRHIVUORG-VOTSOKGWSA-N 362.502 4.919 0 40 FJAB Cc1ccc(CSCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218928386 NELLABFKPYCRNF-UHFFFAOYSA-N 371.546 4.721 0 40 FJAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 219005176 NSPCHAHSNFSTNL-HXUWFJFHSA-N 373.496 4.978 0 40 FJAB C[C@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCCC2 222993831 DBJMEKINIGVWKK-HNNXBMFYSA-N 357.494 4.815 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 222997003 CSQWXWJUOGWUSV-VQTJNVASSA-N 367.489 4.879 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1OC 225236378 HAXNDLWQVAHBFR-IERDGZPVSA-N 367.489 4.609 0 40 FJAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1Cl 225739710 DSUCBGKLANSTPW-HNNXBMFYSA-N 373.953 4.776 0 40 FJAB O=C(Nc1ccc(Cl)cc1Cl)c1snnc1-c1cccs1 225788441 XIEBKEIKBMLQOU-UHFFFAOYSA-N 356.259 4.826 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCC[C@H](C)C1 226330461 FSNKMFRTSAEAFI-ZDUSSCGKSA-N 357.885 4.719 0 40 FJAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(F)cc1 409207502 VKFQWONFTOFTLT-UHFFFAOYSA-N 359.466 4.575 0 40 FJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccccc2F)CN1c1ccc(F)cc1 1615121276 NWVQNENCGLJZSS-QFIPXVFZSA-N 370.443 4.629 0 40 FJAB CCN(Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1775971200 JINHOWAFUCQPCM-HXUWFJFHSA-N 358.485 4.678 0 40 FJAB O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc(Cl)cc1 866265 CADMCQZXHOHUPD-UHFFFAOYSA-N 359.878 4.721 0 40 FJAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc1 907868 JOXPKGKENBKLAV-UHFFFAOYSA-N 363.461 4.538 0 40 FJAB CCOP(=O)(OCC)[C@@H]1c2ccccc2-c2ccc(NC(C)=O)cc21 2043117 CYKDLPIAXMIDQK-LJQANCHMSA-N 359.362 4.981 0 40 FJAB Cc1nc2sc3c(NCCC(C)C)ncnc3c2c2c1COC(C)(C)C2 2299855 MWYGHVJXSZSKQN-UHFFFAOYSA-N 370.522 4.857 0 40 FJAB CC(=O)CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 2397856 CHPVSEZIAASHTC-UHFFFAOYSA-N 370.499 4.549 0 40 FJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SC(C)C)o2)cc1 2721664 LNZWHKBCBIUCBF-UHFFFAOYSA-N 373.499 4.983 0 40 FJAB Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)cc1C 4595390 UEFYUDBQTMTRKB-HXUWFJFHSA-N 368.477 4.583 0 40 FJAB O=C(NCc1cccs1)c1cc2sccc2n1Cc1ccccc1 4970980 DUKOBVBVPTUQIG-UHFFFAOYSA-N 352.484 4.743 0 40 FJAB Fc1ccccc1-c1ccc(-c2nn3c(-c4ccco4)nnc3s2)o1 5032298 SVAZAWNILJZCRY-UHFFFAOYSA-N 352.350 4.512 0 40 FJAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C2CCCCC2)cc1 5267061 SCFVQIIFXUMWQA-UHFFFAOYSA-N 363.379 4.798 0 40 FJAB CCCc1cc(=O)oc2cc(OCc3cc(C(C)=O)ccc3OC)ccc12 5348341 RWZCBYQOODRZFS-UHFFFAOYSA-N 366.413 4.536 0 40 FJAB COc1cc2c(cc1OC)/C(=C/c1ccc(Cl)cc1Cl)C(=O)OC2 5500490 UDKCXKPFXIJZRS-RZNTYIFUSA-N 365.212 4.608 0 40 FJAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6087701 DLJKIIWQVLMRER-SCUMNGBJSA-N 364.489 4.985 0 40 FJAB O=C1OC(c2ccccc2)=N/C1=C/Nc1cc(C(F)(F)F)ccc1Cl 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40 FJAB Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)c(C)n1Cc1ccco1 12904522 OWVJFWDSFITPDG-UHFFFAOYSA-N 360.360 4.600 0 40 FJAB CC(=O)c1ccc(SCC(=O)Nc2nc3ccc(C)cc3s2)c(F)c1 13005758 LAKZZZKJJNMIIL-UHFFFAOYSA-N 374.462 4.677 0 40 FJAB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 17075921 CUCAXXRGXHYCOG-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)C4CCC4)CC3)c2)c1 19690622 SABIXRRZIDSHOC-UHFFFAOYSA-N 364.489 4.572 0 40 FJAB CCN1CCC[C@@H]1CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 19796845 SYNLLDGNRQTWFC-CQSZACIVSA-N 353.293 4.827 0 40 FJAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 20046022 DKPJVZGHAVEQFL-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB Ic1cccc(Nc2nc3ccccc3s2)c1 20303633 MDRUOQCXBGYPHD-UHFFFAOYSA-N 352.200 4.645 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@@H]3CCCC[C@H]3C)s2)cc1 21875673 NIGBCBFEKGTHGL-RHSMWYFYSA-N 358.507 4.647 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 25616331 IPBZCAPJFNKUGJ-CQSZACIVSA-N 370.399 4.772 0 40 FJAB COc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4)on3)sc2c1 27662166 UIFRLNSWSCSHQW-UHFFFAOYSA-N 365.414 4.521 0 40 FJAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2ccc(F)cc12 27995043 RXAUUYZKFUJCDT-UHFFFAOYSA-N 353.349 4.909 0 40 FJAB O=C1c2ccccc2-c2nn(C[C@@H](O)c3ccc(Cl)cc3)c3cccc1c23 28917174 FBFNQIBDJXAUMN-LJQANCHMSA-N 374.827 4.635 0 40 FJAB Cc1cc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)on1 29790485 RZWOSVZTLZTLAE-UHFFFAOYSA-N 373.206 4.790 0 40 FJAB O=C(c1cccc(Br)c1)N(Cc1cccc2[nH]ccc12)C1CC1 32071412 MSIZJQMBBWQNSN-UHFFFAOYSA-N 369.262 4.735 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(C)c2)cc1 36246434 ULXFEONFHWRGRG-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39760835 ILRFQJUXZBQFRD-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCc4ccccc43)c12 40128426 IZGCFJDSFQJYSB-UHFFFAOYSA-N 374.488 4.575 0 40 FJAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1C 44856660 VGCMOMGOTUTORB-HSZRJFAPSA-N 364.533 4.783 0 40 FJAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](N2CCCC2)C1 48324869 FENQYTGYXJBMOT-QGZVFWFLSA-N 373.566 4.813 0 40 FJAB COc1cc(F)ccc1NC(=O)c1ccc(OC)c(-c2ccccc2)c1 50312135 DHNZOQPTRCGCFM-UHFFFAOYSA-N 351.377 4.762 0 40 FJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)ccc2nsnc12 59294034 YZQXOOVRZUAZBT-UHFFFAOYSA-N 361.898 4.890 0 40 FJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 64372590 AGBQIJBWBYNINA-INIZCTEOSA-N 355.825 4.517 0 40 FJAB COc1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339385 JUSBBIYTPVKKIJ-VQHVLOKHSA-N 372.218 4.856 0 40 FJAB C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc(Oc2ccncc2)c1 72311345 KUNHZUFUBFBWBO-OAHLLOKOSA-N 352.459 4.639 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)c[nH]1 84734510 JHOWIWMHLSDAGL-NVXWUHKLSA-N 361.283 4.576 0 40 FJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3F)o2)cc1C 107758967 HDUHOZVJQPLQRH-UHFFFAOYSA-N 368.433 4.829 0 40 FJAB CCOC(=O)c1ccc(C(C)(C)C)nc1-c1ccc(Br)cc1 199816961 SGZFEHSKEHTRJH-UHFFFAOYSA-N 362.267 4.985 0 40 FJAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc2ccccc2c1 222824802 NPECVVCUWKCDCV-UHFFFAOYSA-N 359.347 4.554 0 40 FJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1C 224376699 MNAXKDBVLXVHHV-UHFFFAOYSA-N 367.489 4.989 0 40 FJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)s1 224388443 KINCHHFTLYXLIM-QZTJIDSGSA-N 369.490 4.768 0 40 FJAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224949282 MSNOWTJKILZZFY-UHFFFAOYSA-N 367.898 4.687 0 40 FJAB O=C(Nc1nc2ccccc2s1)c1ccc(Oc2nccs2)cc1 225635756 VGHMLBDFWCGWMG-UHFFFAOYSA-N 353.428 4.797 0 40 FJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408564456 YJDMHKFAMFRFCS-DQRAZIAOSA-N 366.486 4.603 0 40 FJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1 409022650 FFVGEOQVNVZVSO-UHFFFAOYSA-N 372.468 4.639 0 40 FJAB CCOc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1 409097170 HSLHOLIFRNESJE-UHFFFAOYSA-N 374.469 4.879 0 40 FJAB Cc1ccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)c(C)c1 409118922 VEXDDLNADDXOST-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1 1848353655 FXESVQPEFNMYDM-OAQYLSRUSA-N 361.445 4.502 0 40 FJAB Cc1ccc(S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 1095903 NTSCLTBGDRNNOH-HNNXBMFYSA-N 366.269 4.726 0 40 FJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 2232381 QZOIBPAXAXCORH-UHFFFAOYSA-N 367.518 4.537 0 40 FJAB CCCCCCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 2249704 HYSASAUHIUVGAY-UHFFFAOYSA-N 368.481 4.560 0 40 FJAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cc(C)c(C)cc1C 2377215 JEDMPFQHEZGBRW-UHFFFAOYSA-N 364.445 4.831 0 40 FJAB CCc1c(C(=O)c2ccc(OC)cc2)oc2ccc(Br)cc12 3257083 FLGKVRVELDNXDX-UHFFFAOYSA-N 359.219 4.997 0 40 FJAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NC1CCCC1 4060669 FJTCBUYBZRISPR-UHFFFAOYSA-N 364.514 4.841 0 40 FJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)CCc4ccco4)[C@H]3C=C12 4073603 ORYWHTWXSGORLG-XRDUCJSESA-N 371.521 4.505 0 40 FJAB biogenic Cc1nc(NC(=O)c2cccc(Cl)c2Cl)ccc1Br 4122572 SZKHICCJOLVDPY-UHFFFAOYSA-N 360.038 4.712 0 40 FJAB Cc1ccc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)o1 4137825 BFRYMTDOHQWBRX-UHFFFAOYSA-N 357.416 4.794 0 40 FJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 4248108 BWTUTWVZWKPBCM-NRFANRHFSA-N 357.409 4.702 0 40 FJAB O=C(OCc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1 4389730 CKWXWQOKMRCBOH-UHFFFAOYSA-N 360.438 4.958 0 40 FJAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1Br 4663348 NDXQPWKMJHWKMM-UHFFFAOYSA-N 369.218 4.889 0 40 FJAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 5012205 CVUFQMHVLQCASY-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB CCc1ccc([C@@H](NC(=O)COc2ccccc2F)c2cccs2)cc1 5406137 VFHOYRCCBFRIDX-OAQYLSRUSA-N 369.461 4.734 0 40 FJAB COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)c1 6249968 ROWQOENBICCHRE-MRXNPFEDSA-N 360.457 4.925 0 40 FJAB Cc1ccc(NC(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 8778880 ORTNFDISFIEEEI-CYBMUJFWSA-N 358.392 4.665 0 40 FJAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1 9204851 UXJMMNSROAGJJZ-UHFFFAOYSA-N 355.821 4.784 0 40 FJAB CC(C)c1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2n1 11486391 BRHBIPORYPVFRX-UHFFFAOYSA-N 372.472 4.597 0 40 FJAB CCn1nccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 11695977 KDGVJLCWUYJDAH-UHFFFAOYSA-N 362.458 4.740 0 40 FJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1)O[C@H](C)C2 12563600 KXSSHQLBDXJLTN-CHWSQXEVSA-N 374.868 4.501 0 40 FJAB C[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NC(=O)c1ccccc1 12632495 FWBINGDAVVUJMW-KRWDZBQOSA-N 373.456 4.577 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 12728029 VTTHCLMSBJZPMJ-CABCVRRESA-N 366.383 4.512 0 40 FJAB O=C(N[C@H]1CCc2ccccc21)c1cc(Br)ccc1Cl 12921940 YBSPDPTXCAPXFT-HNNXBMFYSA-N 350.643 4.520 0 40 FJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1Cl 13061261 ONXIYMGADHOAHA-AWEZNQCLSA-N 355.290 4.831 0 40 FJAB C[C@H](NC(=O)c1ccccc1NC(=O)NC1CCCCC1)c1ccccc1 13999688 GPRSFJWMFHXWAW-INIZCTEOSA-N 365.477 4.632 0 40 FJAB C[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 14169648 OUMWDQFSKRDQDG-HNNXBMFYSA-N 352.459 4.830 0 40 FJAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)/C=C/c2ccc(OC(F)F)cc2)o1 14246657 ZJIGHPSJIJJJFC-SWZNYXPTSA-N 361.388 4.676 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Br 14731714 FACJTAZKTINHRC-UHFFFAOYSA-N 371.234 4.675 0 40 FJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 16752031 FFISPASEKURGNV-GOSISDBHSA-N 367.832 4.792 0 40 FJAB Cc1cc(C)cc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 17076006 AHXRIUGYRCKQAW-NOCBQHASSA-N 370.562 4.513 0 40 FJAB c1ccc2c(-c3nnc([C@@H]4CCCN4Cc4ccsc4)o3)nccc2c1 19376494 QOGAPZHZDLSZJD-KRWDZBQOSA-N 362.458 4.683 0 40 FJAB C[C@@H]1[C@@H](c2ccccc2)O[C@@H](c2ccccc2OC(=O)c2ccccc2)N1C 20111477 WESAJBQBYCQVNO-VSDWSMLSSA-N 373.452 4.996 0 40 FJAB biogenic Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N(C)Cc1ccccc1 22245942 YOAIQXNJPJTTFR-UHFFFAOYSA-N 355.438 4.606 0 40 FJAB C[C@@H]1Cn2c(-c3ccccc3)c[n+](-c3cccc(C(F)(F)F)c3)c2S1 26441570 SMCRQBHFMNVVDL-CYBMUJFWSA-N 361.412 4.945 0 40 FJAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)c2ccccn2)cc1 27661964 PWVXREBIKNZCEM-UHFFFAOYSA-N 360.457 4.619 0 40 FJAB CCCC(=O)Nc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)s2)cs1 27913714 OZCHHJLSIBPERQ-UHFFFAOYSA-N 372.471 4.975 0 40 FJAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)Nc1ccc(F)cc1F 28220598 OKXFZVOYTNJYOC-UHFFFAOYSA-N 362.767 4.507 0 40 FJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(-c2ccccc2)cc1 29287001 RJDVJCIFTBTZLU-UHFFFAOYSA-N 370.452 4.728 0 40 FJAB Cc1noc(C)c1CCC(=O)Oc1ccc2ccccc2c1Br 32674882 HNDHOSDXIMAIOQ-UHFFFAOYSA-N 374.234 4.745 0 40 FJAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccccc1F 35647277 OQZOZXLPIFKLGQ-VGOFMYFVSA-N 350.777 4.510 0 40 FJAB Cc1nccn1Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 38835047 CZLVMEYZGMXWSZ-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1cccnc1 40087958 VYVNNVHWLHWNFF-UHFFFAOYSA-N 368.820 4.575 0 40 FJAB O=C(NC1CC1)c1ccc(NCc2cccc3ccccc23)cc1Cl 55873139 BQQBHQJDEMFSCK-UHFFFAOYSA-N 350.849 4.998 0 40 FJAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 58161226 ILZLUVMIIUIHIY-UHFFFAOYSA-N 350.849 4.658 0 40 FJAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 63848757 VRRAUCLKVVESEW-UHFFFAOYSA-N 357.862 4.832 0 40 FJAB CCN(C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C1CCCC1 72314454 WLWDSQJFOIVNOX-DEOSSOPVSA-N 350.528 4.530 0 40 FJAB CCOc1ccc(-c2nc(CN(Cc3cccnc3)C3CC3)cs2)cc1 95468521 XFORHUWXGSYNEI-UHFFFAOYSA-N 365.502 4.768 0 40 FJAB CCC[C@@]1(C(F)(F)F)CCCN1Cc1csc(-c2ccccn2)n1 97019498 NGHXSJNZWXXCCT-INIZCTEOSA-N 355.429 4.902 0 40 FJAB CCOc1cc(C(=O)OC)ccc1OCc1ccc(Cl)c(Cl)c1 216798257 XTQGTDPQILPHNP-UHFFFAOYSA-N 355.217 4.758 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 219548079 QDCLLMVWVAGHQZ-LJQANCHMSA-N 369.505 4.609 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1C(C)(C)C 223713471 SAOBANPHSLLQLF-LJQANCHMSA-N 369.505 4.645 0 40 FJAB Cc1cccnc1NC(=S)NCC1(c2ccc(F)cc2)CCCCC1 224006792 KOZLXEZFHZBZJI-UHFFFAOYSA-N 357.498 4.718 0 40 FJAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(-c2ccsc2)cc1 225600652 YUFCLFYWHVYKLH-HNNXBMFYSA-N 363.482 4.711 0 40 FJAB FC(F)(F)c1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225859437 WOMJALQKJILLEP-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB Cc1ccc(COc2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)cc1 256027957 LQBWFAITKJONAW-UHFFFAOYSA-N 358.397 4.816 0 40 FJAB CC[C@H](C)n1ncc(NC(=O)N2CCc3c(cccc3C(C)C)C2)c1C 332108042 DJNCOGLFZANHCW-HNNXBMFYSA-N 354.498 4.876 0 40 FJAB CCc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C 543633663 QWWVRULMIYBVOI-VQTJNVASSA-N 356.441 4.738 0 40 FJAB O=C(NCc1cccc(Oc2ccccc2)c1)c1ccccc1-n1cccn1 1515265051 NJRKLPKGIBKQFU-UHFFFAOYSA-N 369.424 4.595 0 40 FJAB Cc1cc(S(=O)(=O)Nc2cccc3cccnc23)c(Cl)cc1Cl 1616026770 ZHEVUXPRLNKEKQ-UHFFFAOYSA-N 367.257 4.651 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 715249 QQKPCZVCKHHACX-CQSZACIVSA-N 371.502 4.938 0 40 FJAB Cc1ccc(NC(=O)c2ccc(CNC(=O)OCc3ccccc3)cc2)cc1 1392879 BTYIMNICROXYGW-UHFFFAOYSA-N 374.440 4.674 0 40 FJAB CC(C)CNC(=N)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 1570844 CYYRMFOTFFNLCL-UHFFFAOYSA-N 359.861 4.576 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)c1ccc(Cl)cc1 2627170 IMHHDDWOMAWECS-CQSZACIVSA-N 358.869 4.612 0 40 FJAB Cc1ccc(CONC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 2794819 XKVNJZCMTXYFFH-UHFFFAOYSA-N 371.820 4.682 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3ccc(C(C)=O)cc3)n2)cc1 4031744 XHLTVLDWUVUCOT-UHFFFAOYSA-N 350.443 4.827 0 40 FJAB CC[C@]1(C)C[C@](CCNCc2ccc(OC)c(OC)c2)(C(C)C)CCO1 4073514 KTTAQLFNXHNCAF-FGZHOGPDSA-N 363.542 4.805 0 40 FJAB biogenic O=C(c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273247 FSRDOALMYSANAO-UHFFFAOYSA-N 363.417 4.677 0 40 FJAB COc1cccc(OCc2ccccc2)c1C(=O)[C@@H]1O[C@@H]1c1ccccc1 4280473 LVEKADWKKOAHFB-PKTZIBPZSA-N 360.409 4.597 0 40 FJAB CCN(CC)CCCNc1ncnc2c1[C@@H](c1ccccc1)c1ccccc1-2 4990929 JMYXGRPOCSHCQW-NRFANRHFSA-N 372.516 4.781 0 40 FJAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccncc1 5756745 MPLGJWZUAGSSOL-UHFFFAOYSA-N 364.257 4.688 0 40 FJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1N1CCCC1 6608159 VLCWVVQAJCVEOV-UHFFFAOYSA-N 359.473 4.633 0 40 FJAB CCCCOc1cccc(C(=O)Nc2ccc(CN(CC)CC)cc2)c1 6652144 ZICTURFUYKICOH-UHFFFAOYSA-N 354.494 4.960 0 40 FJAB CCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 7261644 WRANLEOCVQUQFL-UHFFFAOYSA-N 351.849 4.956 0 40 FJAB CCN(CC)c1ccc2nc(C)c(CN(C)Cc3ccccc3)c(O)c2c1 8572544 WYJNZNDVDGFJRX-UHFFFAOYSA-N 363.505 4.727 0 40 FJAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063374 CCYZBFBFWSJPKB-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB COc1ccc(NC(=O)c2sc(COc3cccc(C)c3)nc2C)cc1 9251011 PPGHGKXMZVBKSE-UHFFFAOYSA-N 368.458 4.600 0 40 FJAB CC1=Nc2ccccc2N=C(NC(=O)Cc2ccccc2)[C@@H]1c1ccccc1 9426353 LCHTZZBLBNMDQD-QHCPKHFHSA-N 367.452 4.965 0 40 FJAB CC(C)Sc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 10253291 GXFUPJLLNCAGFM-UHFFFAOYSA-N 355.488 4.958 0 40 FJAB Cc1nc(NCc2ccco2)sc1-c1ccn(Cc2ccccc2)n1 12157009 RKNCBONNKBJKOZ-UHFFFAOYSA-N 350.447 4.568 0 40 FJAB CCN(Cc1nc(-c2cccc(C)c2)no1)C(=S)Nc1cccc(C)c1 12654216 ABTOGXOWXJKSMO-UHFFFAOYSA-N 366.490 4.572 0 40 FJAB Cc1nn(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(=S)s1 12819840 AYMIYCGWDVDETP-QGZVFWFLSA-N 359.495 4.801 0 40 FJAB Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 14233870 KVZOMRKOXNTJCW-KGLIPLIRSA-N 355.507 4.630 0 40 FJAB O=C(NCCc1ccc2oc3ccccc3c2c1)c1cnc2ccccc2n1 15108328 MVEJDENAXLIZAW-UHFFFAOYSA-N 367.408 4.502 0 40 FJAB Cc1cccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c12 15987707 BXMXKDGPHFNNRJ-UHFFFAOYSA-N 374.465 4.745 0 40 FJAB COc1cc(C)c(CN[C@H](Cc2cccs2)c2nccs2)cc1C 19567402 MNNPQOJOAIVGDY-QGZVFWFLSA-N 358.532 4.904 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Br)c1 19933771 HFWKPIVUVBIJAP-AWEZNQCLSA-N 368.658 4.899 0 40 FJAB CCOc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(O)c2O3)c1 20132954 IBZGQMUPUDBQQG-UHFFFAOYSA-N 352.415 4.607 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)c1 21579408 PGUHCAVEFGNANX-UHFFFAOYSA-N 374.396 4.521 0 40 FJAB Cn1cc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2Cl)cn1 21707265 RSKRZONJXULLHY-ZHACJKMWSA-N 353.809 4.518 0 40 FJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccc(F)c1 22458275 QVZNNNWSUFNHKU-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB Cc1ccccc1OCC(=O)OCc1cc(-c2cc3ccccc3o2)on1 22769034 QOUFZTJMKAHIMA-UHFFFAOYSA-N 363.369 4.518 0 40 FJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@H](C)CCCC(C)C 23298922 UVCJJRGVKGECEI-MRXNPFEDSA-N 372.557 4.893 0 40 FJAB CSCc1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=S)o1 23610770 RVPOSSLNGORCMS-UHFFFAOYSA-N 371.531 4.747 0 40 FJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(F)cc2)o1 26303979 KJPDCIXNCRWTBP-UHFFFAOYSA-N 361.420 4.870 0 40 FJAB Cc1cccc(-n2ccnc2SCc2noc(-c3cccs3)n2)c1 30509980 ONEMASZLNDVHEX-UHFFFAOYSA-N 354.460 4.585 0 40 FJAB Cc1ccc(NC(=O)CSCc2nc(-c3ccccc3C)no2)c(C)c1 31422966 DEIZRTXSOLXKQX-UHFFFAOYSA-N 367.474 4.534 0 40 FJAB CCc1nc(NC(=O)c2cc(Br)ccc2Cl)sc1C 40118982 DGQNKSYSGOIALC-UHFFFAOYSA-N 359.676 4.682 0 40 FJAB Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 57364752 OPBPNELEYQRZBO-UONOGXRCSA-N 350.384 4.692 0 40 FJAB O=C(CSCc1cccc(Br)c1)NC1CCCCCC1 58172763 UEXVMBSSNUMGQL-UHFFFAOYSA-N 356.329 4.521 0 40 FJAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-c2cnco2)cc1 58421720 IDIBSJZTKYUKCD-UHFFFAOYSA-N 352.821 4.804 0 40 FJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1cccc(Cl)c1 59462532 IOQOKCMDUFNUCT-OVCLIPMQSA-N 362.813 4.585 0 40 FJAB CC[C@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCCO2 64986943 GAVKCGUXLWZKIW-FQEVSTJZSA-N 361.441 4.882 0 40 FJAB CC[C@H](C)Nc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72213386 WYOYIVZDLPJNDS-QFBILLFUSA-N 353.466 4.766 0 40 FJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1cccnc1 72404238 IRDGJWQIGMQREV-OAHLLOKOSA-N 365.260 4.539 0 40 FJAB CN(C(=O)c1ccccc1)c1cccc2c1CCCN2C(=O)c1ccccc1 89365404 GVUGRYHNTPTYFE-UHFFFAOYSA-N 370.452 4.556 0 40 FJAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc(Oc2ccccc2)cc1 127136858 SOVJXGUUVRDUNO-KXBFYZLASA-N 366.417 4.706 0 40 FJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(SC)cc3)N21 222642475 HVRAVKJTYAOKJW-BMGDILEWSA-N 355.532 4.783 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(Br)c1 224597131 YYHQWXNCMUAYQC-ZDUSSCGKSA-N 374.278 4.734 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C)o2)cc1 224856314 SBEUZUXHFBATPY-UHFFFAOYSA-N 350.418 4.620 0 40 FJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225178794 HKLXVKATMBATLB-UHFFFAOYSA-N 370.474 4.603 0 40 FJAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)c(C)c1 225461311 DEYIMJGKQOYIHD-IBGZPJMESA-N 368.502 4.536 0 40 FJAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225574541 ZVECYHWUFMMQTH-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB COc1ccc(NC(=S)NCCCSCc2ccccc2C)cc1 225600131 BDOSTEOMQLPIPV-UHFFFAOYSA-N 360.548 4.614 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCC1 225909357 WYGMVPPLGGDQQZ-UHFFFAOYSA-N 356.466 4.700 0 40 FJAB Clc1ccccc1CNc1ncncc1-c1nc(-c2ccsc2)no1 245026740 NJIRHCGQZNSBHI-UHFFFAOYSA-N 369.837 4.521 0 40 FJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)S2)cc1 408770788 ANBIAUKPCWGWSK-JAORQVBISA-N 363.486 4.638 0 40 FJAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)cc3C)c(=S)o2)cc1 409152739 BQFGXTOUPDZLNT-UHFFFAOYSA-N 373.865 4.782 0 40 FJAB O=C(NCCCCc1ccccc1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 1674592859 AKPDNEQACIXQAB-KESTWPANSA-N 356.897 4.908 0 40 FJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]1CCc1ccncc1 1848355642 AIWYECZVOFVCIC-HSZRJFAPSA-N 370.496 4.837 0 40 FJAB O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(Cl)cc1 944089 GOVAJEDQWKQTFQ-UHFFFAOYSA-N 361.850 4.766 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2s1)NC1CCCCCC1 969985 JRSIEIFSHGBJKK-UHFFFAOYSA-N 354.928 4.881 0 40 FJAB S=C(NC1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 1326665 UWPHBBSVOKRXHQ-UHFFFAOYSA-N 359.564 4.683 0 40 FJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1OC 2367980 QJRFEQKVXZPIIO-QFIPXVFZSA-N 374.440 4.783 0 40 FJAB CC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 2720880 YSPLANDBRSUNSU-UHFFFAOYSA-N 353.422 4.507 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)c1 3411766 QDIFHLMXZYSDGQ-UHFFFAOYSA-N 369.515 4.742 0 40 FJAB CCOc1ccc2nc(NC(=O)CSCc3ccccc3C)sc2c1 3453270 JAZCBCORHRPOAW-UHFFFAOYSA-N 372.515 4.875 0 40 FJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccccc1 4122473 QCGWXBZYPXIOHY-FMIVXFBMSA-N 355.397 4.850 0 40 FJAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1Cl 4534394 LIBGLWHGDHSGPW-CXUHLZMHSA-N 358.850 4.754 0 40 FJAB CC(C)(C)c1cc(C(=O)N(CCO)Cc2ccccc2)cc(C(C)(C)C)c1 4551343 TYGRNRWZINOYPE-UHFFFAOYSA-N 367.533 4.916 0 40 FJAB Cc1cccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c1 4723850 BCJXLZKBJPWZKA-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(F)cc1F 5676581 ZGXHPLYBMMRHHA-UHFFFAOYSA-N 353.368 4.573 0 40 FJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(Cc2ccccc2)o1 5938059 LCIKDMPTRAIUOA-UHFFFAOYSA-N 368.458 4.554 0 40 FJAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OC 6439540 GBKCHIBKCQXLDE-VOJFVSQTSA-N 372.490 4.709 0 40 FJAB Clc1ccc(OCCN2CCCC[C@H]2c2cccnc2)c(Cl)c1 6719379 NHSNWJMYKRSPCQ-KRWDZBQOSA-N 351.277 4.994 0 40 FJAB biogenic c1ccc(-c2nc3ccccn3c2COc2ncnc3ccccc23)cc1 6909424 HBGSILXVJMPYFZ-UHFFFAOYSA-N 352.397 4.524 0 40 FJAB CCOC(=O)c1ccc(NC(=S)Nc2c(CC)cccc2CC)cc1 6944542 CMNRJJOKUATTRL-UHFFFAOYSA-N 356.491 4.797 0 40 FJAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1Cl 7878320 YFPRDJZIQOCRTJ-JTQLQIEISA-N 355.290 4.613 0 40 FJAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(C)c2C)cs1 7918191 DHYARUJFAZZXSC-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccccc1Cl 8726531 WSZUGWOLOJNVJV-UHFFFAOYSA-N 367.251 4.736 0 40 FJAB CCN1C(=O)c2cc(NC(=O)c3cccs3)ccc2Oc2ccccc21 9134655 MABUKRJGGMGMFO-UHFFFAOYSA-N 364.426 4.773 0 40 FJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12 9356037 IXAKKQBRCHAYAR-UHFFFAOYSA-N 366.726 4.662 0 40 FJAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275781 CEOVDVAJEZRVRJ-AWEZNQCLSA-N 363.548 4.746 0 40 FJAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10276626 VTLVOLPFCLKJKU-HZPDHXFCSA-N 355.478 4.637 0 40 FJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C)c(F)c3)ccc2c1 12487928 OKVISHGLXYLQKO-HNNXBMFYSA-N 351.421 4.716 0 40 FJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 12751255 GDQWSDRVTJWXKN-QGZVFWFLSA-N 362.473 4.616 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1csc(-c2ccsc2)n1 12849234 CDNVZDUBCDAJDD-UHFFFAOYSA-N 350.852 4.786 0 40 FJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1 13689164 UABOCJPKFUPABJ-QGZVFWFLSA-N 365.498 4.657 0 40 FJAB COc1cccc(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)c1 19565714 QRTOUQANKYCUDO-UHFFFAOYSA-N 374.469 4.888 0 40 FJAB Clc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20029255 ZBUCMRHEAGUNBL-UHFFFAOYSA-N 358.898 4.762 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)c3cccc4ccccc34)cc12 22228906 GHTCEJDIURWBOQ-AWEZNQCLSA-N 359.429 4.990 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 22528228 ITWGFMPQCIUBBE-OAQYLSRUSA-N 371.908 4.979 0 40 FJAB Cc1ccc(C)n1-c1sccc1C(=O)OCc1nc2ccccc2o1 25113442 UMZJAUFJVVIOGV-UHFFFAOYSA-N 352.415 4.654 0 40 FJAB O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1CCc2ccccc2C1 27975049 HJZDPNHPISDWLE-UHFFFAOYSA-N 367.832 4.711 0 40 FJAB Cc1ccc(N(CC(=O)c2cccc(C)c2C)C2=NCCCS2)cc1 28527690 GEQLLHRGYKXBKL-UHFFFAOYSA-N 352.503 4.794 0 40 FJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C)cc1 28541247 RNIJZROHIZWCDB-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1C 30758646 FQBJYGZXBCNMHV-UHFFFAOYSA-N 353.443 4.897 0 40 FJAB COc1ccc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1F 32803658 MUESZVYQABMLOP-JTQLQIEISA-N 371.239 4.702 0 40 FJAB C[C@@H]1c2cc(Cl)ccc2O[C@@H]2c3ccc(Br)cc3C(=O)N12 35324816 ZMEWLWRKVJSCKJ-VPTHRUTESA-N 364.626 4.711 0 40 FJAB Cc1ccc(C)c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 36611711 QAGSGBBBIYKPDY-UHFFFAOYSA-N 370.456 4.906 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 39981789 QENWTDAYMUFRMZ-UHFFFAOYSA-N 365.454 4.724 0 40 FJAB COc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccc(C(F)(F)F)cc1 40097834 RWQFZHSHUOPXKS-GFCCVEGCSA-N 352.356 4.939 0 40 FJAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)c1 44856350 GGONBHICEPJMJY-HXUWFJFHSA-N 364.533 4.701 0 40 FJAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 58405496 CBACTMOEJFWDGK-RTWAWAEBSA-N 352.453 4.948 0 40 FJAB Cc1ccccc1-c1csc(-c2nnn(-c3cccc(F)c3)c2C)n1 67341620 WFINWXRNVJLDLW-UHFFFAOYSA-N 350.422 4.814 0 40 FJAB CCOc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2c1 72414160 PNQRONCLWLVCIB-UHFFFAOYSA-N 361.850 4.693 0 40 FJAB Cc1nn(C)c(C)c1CCC(=O)Oc1ccc(-c2ccccc2)cc1Cl 89505793 KDWYCWVVOSPKAP-UHFFFAOYSA-N 368.864 4.896 0 40 FJAB CSc1cc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)ccn1 96008799 YNEZKKWYMCHVRX-FDMDGMSGSA-N 358.532 4.963 0 40 FJAB CCCOc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 98064861 IYMCPPSEKGRJFP-ACCUITESSA-N 351.855 4.541 0 40 FJAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2cc(C)cc(C)c2O)cc1 100684222 JUVAWXJAAPENCR-NRFANRHFSA-N 371.436 4.902 0 40 FJAB CCOc1cccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c1 106704695 JRNFQRYAZBDNJY-PDGQHHTCSA-N 353.443 4.630 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 113955136 LMFMOFQNXYNQON-RTBURBONSA-N 361.869 4.774 0 40 FJAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)O 123188895 WESDBOJFPODCAU-OHXZZPOISA-N 362.554 4.958 0 40 FJAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 222936875 WJVSYCBVJHEFIK-INIZCTEOSA-N 365.498 4.758 0 40 FJAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C(C)C 223319521 MXWPYRUDTAIKRY-HZPDHXFCSA-N 373.468 4.911 0 40 FJAB COc1ccccc1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 225549630 FRBKOTYRMJZKQV-UHFFFAOYSA-N 368.424 4.633 0 40 FJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cccc(F)c3)nc2c1 226282853 GFQVZFRFYAVCID-UHFFFAOYSA-N 366.314 4.858 0 40 FJAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(C(C)(C)C)cc1 226763058 CAGMMORXVUZHST-UHFFFAOYSA-N 361.283 4.890 0 40 FJAB CCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Cl)cc1 408562606 QWFWSNPMYHNUGR-ZZEZOPTASA-N 360.866 4.786 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSC2=NCCS2)cc1 1085560 HYAGEFNXSTYBID-UHFFFAOYSA-N 362.907 4.928 0 40 FJAB Cc1ccc(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)cc1 1261277 ANYAOJZBPSINGY-UHFFFAOYSA-N 364.408 4.643 0 40 FJAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)OC1CCCCC1 1329268 UDSGJTDLPOMYRC-UHFFFAOYSA-N 367.474 4.593 0 40 FJAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 1370597 CJXAPECVTXGGGB-VXKWHMMOSA-N 369.553 4.512 0 40 FJAB C[C@@H](C(=O)Nc1ccc(F)cc1F)n1c(C(F)(F)F)nc2ccccc21 1399304 CDJQMRLTXJGLHQ-VIFPVBQESA-N 369.293 4.533 0 40 FJAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 1961974 UKPWTTDSBKJVEA-UHFFFAOYSA-N 361.397 4.583 0 40 FJAB CCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)nc2ccccc21 4033254 GXXALVZPEGOQCG-AWEZNQCLSA-N 353.853 4.539 0 40 FJAB Cc1cc2c(s1)c(Br)c(C(=O)O)n2Cc1ccc(F)cc1 4452372 ZCDIMKLDNXALON-UHFFFAOYSA-N 368.227 4.659 0 40 FJAB Cc1ccc(/C=C\C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 4536298 ACAUWQRIQWOTJS-SREVYHEPSA-N 365.285 4.828 0 40 FJAB CCc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 5464126 WOFGUCRMYQLSFC-UHFFFAOYSA-N 364.308 4.883 0 40 FJAB CCc1ccc(C2=Nc3ccc(CC)cc3C(c3cccnc3)=NN2)cc1 6134736 MQAINZVGXJOION-UHFFFAOYSA-N 354.457 4.640 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccs1)S[C@@H](C)C(=O)N2 6679232 GAGIHUABFWDLNS-MEDUHNTESA-N 373.478 4.545 0 40 FJAB CC[C@@]12CCC3=C(CCc4cc(OC(C)=O)ccc43)C1=CC[C@H]2OC(C)=O 6934175 RIJXZANIRYKMAD-DHIUTWEWSA-N 366.457 4.764 0 40 FJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Cl 6997521 FWIDWSVHFQDRPM-UHFFFAOYSA-N 373.758 4.636 0 40 FJAB COc1cccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1OC 7990285 SBYIRQLYDWBQKL-MRXNPFEDSA-N 361.441 4.862 0 40 FJAB COc1ccc2c(-c3ccccc3)cc(S[C@@H]3C[C@@H](C)OC3=O)nc2c1 8191319 GSQCJFOGAVTDSK-BFUOFWGJSA-N 365.454 4.707 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCSc2ccccc21 8395070 CFOVFLUIBNHNMO-UHFFFAOYSA-N 350.443 4.793 0 40 FJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCCC2)cc1 9668092 FDYGMDQMFPJEKX-UHFFFAOYSA-N 365.260 4.855 0 40 FJAB Clc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 10213516 YLCSZOKZOUJHLX-UHFFFAOYSA-N 366.856 4.612 0 40 FJAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)nc3ccccc23)c1 12901820 HNDVYJAICMBMEU-UHFFFAOYSA-N 350.418 4.628 0 40 FJAB CC(C)(Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20133159 IHUYBCKVZPHLCB-UHFFFAOYSA-N 368.083 4.715 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCCSc1ccc(Cl)cc1 20240044 AKIOGSMPRBDGNN-BJMVGYQFSA-N 352.286 4.915 0 40 FJAB COc1ccc(-c2noc(CSc3ccc(F)c(Cl)c3)n2)cc1 21761394 PCQGWZJPEMEASM-UHFFFAOYSA-N 350.802 4.830 0 40 FJAB C[C@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1 25616352 APZVEBXQZFRXFX-OAHLLOKOSA-N 352.409 4.633 0 40 FJAB COc1ccccc1-c1nc(-c2cccc(NC(=O)C3CCCC3)c2)no1 28221958 ZTIACFZRNWDAIS-UHFFFAOYSA-N 363.417 4.541 0 40 FJAB CCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)c(F)c2)n1 49420753 AJPNAVNHVHZZLI-UHFFFAOYSA-N 367.359 4.572 0 40 FJAB O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412106 QRSDRJKDKHXILA-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccsc1 61997225 XRGXMPBFFZVYSQ-UHFFFAOYSA-N 367.908 4.798 0 40 FJAB COc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 67128547 LWLSPCBBDVWOGD-MRXNPFEDSA-N 353.447 4.674 0 40 FJAB CO[C@@H](CNCc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 71821856 GRNUXKHCIGDUDV-NRFANRHFSA-N 369.896 4.620 0 40 FJAB Clc1cccc(Cc2noc(CSc3nc4ccccc4o3)n2)c1 84600466 AQIOOTMGHDYNAT-UHFFFAOYSA-N 357.822 4.747 0 40 FJAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCSc4c(F)cccc43)on2)cc1 89641009 VFMXJTLWVQBUCM-MRXNPFEDSA-N 368.433 4.756 0 40 FJAB Cc1c(-c2nnc3sc(-c4cccc(F)c4)nn23)oc2ccccc12 96194127 RVIDFYHOKKPJNB-UHFFFAOYSA-N 350.378 4.714 0 40 FJAB Cc1cc(Br)c(NC(=O)[C@@H]2CC2(Cl)Cl)cc1Cl 97143494 ZNWYEBCYXLAFBL-LURJTMIESA-N 357.462 4.543 0 40 FJAB CCOc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1OC 102443658 IOLFWJDQZPNUOJ-RCRDTURJSA-N 363.885 4.610 0 40 FJAB CO[C@@H](C)c1cccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C)c1 112175236 MBKMZGGSUYLSTJ-AWEZNQCLSA-N 369.852 4.794 0 40 FJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(OC(C)C)c1 113970739 GQYXLDJGKHRWSZ-NRFANRHFSA-N 355.478 4.564 0 40 FJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)cc1F 222886458 YJNGCNTWGZSBAC-INIZCTEOSA-N 363.816 4.520 0 40 FJAB COc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2N)cc1 225182261 SFILASMHAJZQPS-UHFFFAOYSA-N 367.758 4.802 0 40 FJAB O=C(CCSc1ccccc1)NCc1cncc(-c2cccs2)c1 225664299 ILMZKXCKTPQHIQ-UHFFFAOYSA-N 354.500 4.609 0 40 FJAB O=C(/C=C/c1cc(F)ccc1F)NCc1nc(C2CCCCC2)cs1 390828696 BQOHSHXFGRBMQT-RMKNXTFCSA-N 362.445 4.799 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccccc1 409207400 WCVMYGYNCDQHES-VZCXRCSSSA-N 356.878 4.711 0 40 FJAB O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1nc2c(s1)CCCC2 518953966 GAJCVTYVYGFVBS-UHFFFAOYSA-N 364.474 4.652 0 40 FJAB CC(C)Oc1ccc(CNC(=O)c2cc[nH]c2C2CC2)c(C(F)(F)F)c1 585080875 DMYZYHGSFYEJQT-UHFFFAOYSA-N 366.383 4.628 0 40 FJAB Cc1ccc(OCCn2c([C@@H](O)c3ccccc3)nc3ccccc32)cc1 703990 CZOCYXWYZPVXKS-QFIPXVFZSA-N 358.441 4.505 0 40 FJAB CC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C)cc1 915596 SIXUVXHCJMZKQW-UHFFFAOYSA-N 364.470 4.785 0 40 FJAB CCc1c2c(cc3c1[nH]c1ccccc13)C(=O)N(c1ccc(OC)cc1)C2=O 1580342 QGAVDXCUMMBFEZ-UHFFFAOYSA-N 370.408 4.693 0 40 FJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc(F)cc1)C3 2401307 VDIGEBAHASCXCL-UHFFFAOYSA-N 373.811 4.895 0 40 FJAB CSc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3)cc2s1 3315947 KGCKVFJHPBWIMU-LBPRGKRZSA-N 357.504 4.766 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1C 3360550 NKSLSZBMJYZCDO-UHFFFAOYSA-N 373.452 4.688 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCC3CCCC3)n2)cc1 3398763 DHLWWFTWONMRSD-UHFFFAOYSA-N 357.479 4.677 0 40 FJAB COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc(Cl)c1OC 3546990 WNSGYMPDFNTADA-LFYBBSHMSA-N 350.201 4.503 0 40 FJAB CCCC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 4122836 KQYXNJMHEONFBG-UHFFFAOYSA-N 355.488 4.576 0 40 FJAB CCn1c(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nc2ccccc21 4289398 OLWRSXOQOAOQIW-INIZCTEOSA-N 367.518 4.643 0 40 FJAB Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(C)cc2)cc1 4891523 FOHSDAIUHJFMIS-UHFFFAOYSA-N 365.502 4.613 0 40 FJAB Cc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccccc32)c1 4937129 CGOPOJHKNFWCRO-UHFFFAOYSA-N 371.411 4.728 0 40 FJAB O=c1oc2ccccc2cc1C1=NN[C@@H](c2c(Cl)cccc2Cl)C1 5604914 MNBUCWVTDWPRQP-OAHLLOKOSA-N 359.212 4.539 0 40 FJAB Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)c1 6461127 RZXPEHJESDCRJR-UHFFFAOYSA-N 374.440 4.573 0 40 FJAB Cc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br 6571278 KCSBZXSFSOSCNH-UHFFFAOYSA-N 360.038 4.712 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1Br 6923936 HYCKIEGIBTYSSV-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)o2)cc1 7193229 RCXFZHSYBXSZJB-LBPRGKRZSA-N 372.421 4.638 0 40 FJAB COc1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1 7523986 DEYDEPOONUOINA-UHFFFAOYSA-N 353.487 4.668 0 40 FJAB CCc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)c(C)c2)C(=S)N1 8023693 WMESRXOQOSUNTI-RXVVDRJESA-N 352.503 4.800 0 40 FJAB O=C(CCNc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2 8783000 YTLAPZFYPTVKJL-UHFFFAOYSA-N 359.381 5.000 0 40 FJAB biogenic,in-vitro CCOc1ccc(-c2nnc(CN[C@H](C)c3ccccc3Cl)o2)cc1 8938128 UTQDYURJVSGLLZ-CYBMUJFWSA-N 357.841 4.640 0 40 FJAB CCc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 9197358 UUROBONRCWPGQE-UHFFFAOYSA-N 358.441 4.683 0 40 FJAB C[C@@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]12 9356586 ORYWHTWXSGORLG-JPYKHTKGSA-N 371.521 4.505 0 40 FJAB CC(C)Sc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1 10253319 HWKFEBWGVUGTRQ-UHFFFAOYSA-N 355.488 4.958 0 40 FJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1 12762209 JDGYNEUHFAGKMF-MRXNPFEDSA-N 356.897 4.817 0 40 FJAB Cc1cccc(C)c1OCC(=O)N[C@H](c1ccccc1)c1cccs1 12981744 JCASMKOYDGYTGH-HXUWFJFHSA-N 351.471 4.650 0 40 FJAB O=C(O)c1ccc(Cl)c(-c2ccc(CNCc3ccc(F)cc3)o2)c1 13730541 JNLNSASYKNCNAB-UHFFFAOYSA-N 359.784 4.727 0 40 FJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 14396636 PZZGHSZGJAARCZ-SECBINFHSA-N 361.722 4.904 0 40 FJAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1 20038604 GHHCJKBLQLOKPG-ZDUSSCGKSA-N 372.317 4.791 0 40 FJAB COc1ccc(CN(C)C(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 20046282 BASLCENIBLYTJV-UHFFFAOYSA-N 369.505 4.593 0 40 FJAB CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccccc1 23137595 MLLSCCJOMQILJW-UHFFFAOYSA-N 361.474 4.626 0 40 FJAB CSc1ccccc1NC(=O)c1ccccc1SC[C@@H]1CCCO1 26766842 REEXDZBBBMHXOJ-AWEZNQCLSA-N 359.516 4.932 0 40 FJAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc(Cl)nc2)cc1 26793619 WIVJNBRMIQEBBP-UHFFFAOYSA-N 368.868 4.530 0 40 FJAB O=C(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27749285 MLRCAEJESKGIRC-NRFANRHFSA-N 370.924 4.616 0 40 FJAB CC1(C)CC(N(Cc2ccncc2)Cc2ccccc2F)CC(C)(C)N1 36740471 NMUWXXSPOGGRHH-UHFFFAOYSA-N 355.501 4.532 0 40 FJAB COc1cccc(C[C@@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)c1 48299926 YRGKLFZIGNXQRF-FQEVSTJZSA-N 362.473 4.866 0 40 FJAB CCOc1ccc(-c2cc(C(=O)Nc3c(C)cccc3Cl)n[nH]2)cc1 51315500 YDRLOYZJCGGOBC-UHFFFAOYSA-N 355.825 4.690 0 40 FJAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)CCC(=O)N2 52360196 HPLJICGFYFFTKW-VIFPVBQESA-N 369.774 4.812 0 40 FJAB Cc1ccc(CN(C(=O)Nc2nncs2)[C@@H]2CCc3ccccc32)cc1 58158001 YMUGDQNARGAVOX-GOSISDBHSA-N 364.474 4.568 0 40 FJAB Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 58216999 WJQWKZSMEMCRRM-ZDUSSCGKSA-N 369.852 4.677 0 40 FJAB CCn1c([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC3)nc2ccccc21 58332179 QCHXWLYPKCYFNX-NRFANRHFSA-N 374.488 4.914 0 40 FJAB FC(F)(F)CN1CC[C@H](NCc2ccc(-c3ccccc3Cl)s2)C1 60953221 IWIXRIYSHBHQPW-LBPRGKRZSA-N 374.859 4.795 0 40 FJAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc3c(c2)CCC3)c1 64892454 BPZZPQCBIRUQSL-UHFFFAOYSA-N 352.381 4.883 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1NC1CC1 72213748 UHHIZLQRAIJHJU-LJQANCHMSA-N 351.450 4.520 0 40 FJAB CC(C)(C)OC(=O)C1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 94123483 VTCQGNFRDKWCKY-UHFFFAOYSA-N 372.292 4.624 0 40 FJAB Cn1cc(C2CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)cn1 95460615 YKHUIDZLZLFRCA-UHFFFAOYSA-N 361.276 4.659 0 40 FJAB Cc1cccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nc(C(F)(F)F)nn32)c1 102955277 ALMSLZPCTDSWEP-INIZCTEOSA-N 374.341 4.800 0 40 FJAB COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c(OC)c1 105362965 MRYUTYVLSQLKJD-UHFFFAOYSA-N 361.441 4.649 0 40 FJAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccc(Cl)c1 206720969 FEWJNKAIKNCFFF-UHFFFAOYSA-N 353.809 4.791 0 40 FJAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 219860535 SNVZMWNFHYHKBL-IBGZPJMESA-N 350.506 4.706 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(-c2cccc(F)c2)nc1 222622551 XJRJXQDLMJBZEJ-UHFFFAOYSA-N 362.191 4.842 0 40 FJAB S=C(NCCCSCc1ccccc1)Nc1ccccc1Cl 225595925 DNFMZHGZCHXUOJ-UHFFFAOYSA-N 350.940 4.950 0 40 FJAB CCC1(CC)C[C@H](NC(=O)Nc2cccc(OC)c2)c2ccccc2O1 225759074 FKCOPQNSSIHTIJ-SFHVURJKSA-N 354.450 4.899 0 40 FJAB Cc1nc([C@@H]2CCCN(Cc3ccc4oc(C(=O)O)cc4c3)C2)sc1C 565101953 BBLCKQDLUNTDCC-OAHLLOKOSA-N 370.474 4.584 0 40 FJAB O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccc2ccccc2n1 585172044 MENXHXZGGALHIB-UHFFFAOYSA-N 360.461 4.865 0 40 FJAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1 585260838 UYRGELBLLGOWRY-NRFANRHFSA-N 373.460 4.567 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@H](C)c3ccc(F)cc3Cl)cc12 605478197 PPEXUZXMAKVCRT-SNVBAGLBSA-N 361.804 4.630 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 840444 SGKWWZUFLZZQIJ-NSHDSACASA-N 354.233 4.798 0 40 FJAB CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1040877 CVFCHASNJYVRFD-UHFFFAOYSA-N 372.334 4.583 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 1205566 BDLHSVLZTGWKCO-RUDMXATFSA-N 371.396 4.550 0 40 FJAB CCc1cc2c(SCc3nnc(-c4ccccc4)o3)ncnc2s1 2618960 FJZVOAOAZDTVBN-UHFFFAOYSA-N 354.460 4.596 0 40 FJAB CCN(C(=O)COC(=O)/C=C/c1cccs1)c1cccc2ccccc12 3224115 OUEZGEAJVQXGRF-OUKQBFOZSA-N 365.454 4.511 0 40 FJAB CCSc1nnc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)s1 4174684 FJMMRDJNFDTTPY-NSHDSACASA-N 373.956 4.813 0 40 FJAB O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 4622838 ZTRBOBVGGNZMJG-CMFFAXKISA-N 358.485 4.875 0 40 FJAB N=C1NC(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)S1 5650286 RARXDCVMDHDSET-XDHOZWIPSA-N 360.438 4.557 0 40 FJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)o2)cc1 5862128 LGLKRUUFXRRLMF-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB CC(C)Cc1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 6589448 XFMIRRJVQVDLEN-UHFFFAOYSA-N 353.447 4.781 0 40 FJAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)oc2c1 6866986 BSNGLUDYACSYKJ-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)cc1C 6966737 YSXGCYMCEBUNHV-MOSHPQCFSA-N 361.489 4.677 0 40 FJAB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 7605112 KNRZLIALKUIRFR-UHFFFAOYSA-N 359.838 4.641 0 40 FJAB CCc1ccccc1-n1nnc(-c2nc(-c3ccccc3Cl)no2)c1C 7615900 YWXDIRWRGNRHNV-UHFFFAOYSA-N 365.824 4.509 0 40 FJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)cc1 9112339 VBZZAWLWLSFODW-HXUWFJFHSA-N 372.424 4.852 0 40 FJAB CCCOc1ccccc1NCC(=O)Nc1ccc(Cl)cc1Cl 9157250 WAGSGXDQBVDBLH-UHFFFAOYSA-N 353.249 4.833 0 40 FJAB CCOc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OCC)cc2)cc1 12788686 NPMSGAARDNOQID-HOTGVXAUSA-N 356.466 4.605 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)c1cccs1 12982250 JOVVCLVFLKNGKZ-IFXJQAMLSA-N 355.434 4.560 0 40 FJAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc2ccccc2o1 13005942 BIIVBYDOKHGOCF-UHFFFAOYSA-N 355.463 4.518 0 40 FJAB O=C(CN1CCCc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 14217284 BWECWKOFQNFHNP-UHFFFAOYSA-N 368.786 4.750 0 40 FJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccccc2F)cc1OCC 16317289 KENPQKLJDFZWPZ-CYBMUJFWSA-N 362.470 4.671 0 40 FJAB Cc1c(C(=O)Sc2nc3ccccc3o2)oc2c1[C@@H](O)CC(C)(C)C2 16740270 LSIBAWUSRXJXFY-LBPRGKRZSA-N 357.431 4.668 0 40 FJAB COc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1OC 22076531 XZJPBDIBTOIXFZ-UHFFFAOYSA-N 371.864 4.950 0 40 FJAB Fc1ccccc1-c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1 22935288 VGCUQQDPHMDYCV-IBGZPJMESA-N 354.425 4.605 0 40 FJAB Cc1ccsc1CN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 23040230 CYGGCCZFEIPGMN-UHFFFAOYSA-N 370.499 4.643 0 40 FJAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2C)c1 32609716 BBHLKLBSZGQXKM-SFTDATJTSA-N 359.473 4.599 0 40 FJAB C[C@H](NC(=O)c1cc(Br)c(Cl)[nH]1)c1ccc(Cl)cc1 36396049 LLIZQTDICPVXSK-ZETCQYMHSA-N 362.054 4.575 0 40 FJAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(C(C)C)cc2)c1 40096992 MNCYQBTVGMTOOO-UHFFFAOYSA-N 353.466 4.726 0 40 FJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(-c2cnco2)c1 40152471 WLRXBWKVEGKAQT-UHFFFAOYSA-N 365.414 4.548 0 40 FJAB Brc1cc(Br)c2sc(Br)nc2c1 44712728 WTWKAJXHGWMBLH-UHFFFAOYSA-N 371.879 4.584 0 40 FJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C)c1 49005605 VPGVJUASKYZHST-UHFFFAOYSA-N 366.440 4.611 0 40 FJAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2ccccc2F)C1 49547462 ZIVSIDFRUNTXKO-HNNXBMFYSA-N 355.800 4.848 0 40 FJAB C[C@H](Sc1nncn1C1CC1)c1cccc(NC(=O)c2ccccc2)c1 53675269 MIAJBKIWXKTKJU-AWEZNQCLSA-N 364.474 4.719 0 40 FJAB C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Br)c(Cl)c1 59842933 BZUJHSNSKYGUHZ-MRVPVSSYSA-N 351.071 4.771 0 40 FJAB FC(F)(F)COc1cccc(OCc2cc(-c3cccs3)on2)c1 69453047 RNKHYXUQBHBWSH-UHFFFAOYSA-N 355.337 4.923 0 40 FJAB CCc1nc2ccc(Cl)cn2c1C(=O)N(Cc1ccccc1)C(C)C 71460870 YQDLLTSGMOMORU-UHFFFAOYSA-N 355.869 4.601 0 40 FJAB Fc1cccc(-c2nccnc2[C@@H]2CCCN(CCc3ccccc3)C2)c1 72358514 WGKFGWPNSKUWLL-HXUWFJFHSA-N 361.464 4.705 0 40 FJAB CCC(CC)NC(=O)C(C)(C)[C@H](O)c1cccc(OCc2ccccc2)c1 89943153 HGQHPKOEMJYKPE-OAQYLSRUSA-N 369.505 4.630 0 40 FJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OC(C)C)CC(C)(C)O2 219744591 IPSUHKLOVNGSPO-SFHVURJKSA-N 353.462 4.814 0 40 FJAB O=C(Cc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1Cl 225177943 MRKLGMMAOHYBJR-UHFFFAOYSA-N 372.292 4.725 0 40 FJAB O=C(NCc1cccnc1-c1cccs1)c1ccccc1Br 225761188 ONDRHKVOZXGJFL-UHFFFAOYSA-N 373.275 4.503 0 40 FJAB Fc1ccc(Cc2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)cc1 257271736 MZPKNPVQEUBCCH-QHCPKHFHSA-N 361.464 4.934 0 40 FJAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3)n2)c1 408698963 QKBZFLUXGQPLTD-UHFFFAOYSA-N 368.440 4.803 0 40 FJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409009053 SLCGSBWLVIUUHV-CRRKTRLDSA-N 354.475 4.929 0 40 FJAB CCCn1c(Cc2ccccc2)nnc1SCCOc1ccc(C)cc1 409100972 WEYFTMVPOOKNEE-UHFFFAOYSA-N 367.518 4.758 0 40 FJAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc1Cl 409207146 SHMAKMXJYIOSGD-VZCXRCSSSA-N 356.878 4.765 0 40 FJAB CC(C)Oc1ncccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 551461821 OAGNZMQHLDPEIZ-UHFFFAOYSA-N 372.428 4.664 0 40 FJAB Fc1ccc2c(C3CCN(c4ccnc5ccsc45)CC3)noc2c1 570561046 RZWWKPFXNJWLIT-UHFFFAOYSA-N 353.422 4.961 0 40 FJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1C 724723 BLDHTSMWRRMJQH-HNNXBMFYSA-N 370.518 4.709 0 40 FJAB CC(=O)c1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 784494 KUKVCIJGVUUCEV-UHFFFAOYSA-N 362.410 4.863 0 40 FJAB Cc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1 930009 PUBHTIJADMNKOZ-UHFFFAOYSA-N 351.427 4.555 0 40 FJAB Cc1ccc(S(=O)(=O)c2c(C)cc(-c3ccccc3)nc2Cl)cc1 1398171 UFJWIWIKDWFPNI-UHFFFAOYSA-N 357.862 4.852 0 40 FJAB Cc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccccc3c2=O)cc1 2687692 LNYCNUWOZIXXPC-UHFFFAOYSA-N 367.448 4.898 0 40 FJAB CC1CCC(C(=O)N[C@H](C(=O)Nc2ccc(C(C)C)cc2)C(C)C)CC1 3895818 SWKSAYQKJNCPAC-NLPFYKDJSA-N 358.526 4.716 0 40 FJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCCC[C@@H]1c1cccnc1 3999853 QCKWAKZEHJRBJF-LZWOXQAQSA-N 353.293 4.726 0 40 FJAB CCCCN(Cc1ccccc1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 5348746 QYVKUTKLWLBJBU-UHFFFAOYSA-N 366.461 4.628 0 40 FJAB c1ccc(COc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 5425616 MWPDDQDWXRDHAU-UHFFFAOYSA-N 368.396 4.649 0 40 FJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1C 6172424 CLBFIOQXMCPOGJ-UHFFFAOYSA-N 373.865 4.738 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(N[C@@H]4CCOc5ccccc54)c23)C1 6543773 GFVAJIPLNFHGLL-IUODEOHRSA-N 351.475 4.752 0 40 FJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6929125 CMAYMSMJJNCEKO-VIFPVBQESA-N 361.722 4.904 0 40 FJAB O=C(N[C@H]1CCOc2ccccc21)C1c2ccccc2Oc2ccccc21 7215012 OOFPQOUOMURKIT-SFHVURJKSA-N 357.409 4.564 0 40 FJAB O=C(COc1ccccc1-c1ccccc1)Nc1cccc2ncccc12 7757921 MZEAAUZVFKXWQV-UHFFFAOYSA-N 354.409 4.919 0 40 FJAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccccc1SC 7787363 YDFLNKMJXUNSQH-UHFFFAOYSA-N 370.426 4.688 0 40 FJAB Cc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c(C)c1 7918235 ZQWTYCDXVCLRCU-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB C1=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN2[C@@H]1c1ccccc1 9087564 PXWIGHMENRLGCI-NRFANRHFSA-N 351.413 4.993 0 40 FJAB Cc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 9317773 HUAWYECLWRKFTQ-UHFFFAOYSA-N 356.853 4.901 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3Cl)cs2)cc1 9949461 ZQPGXRXJRMCBRN-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(Br)c1 10321267 ZQBGDDOVAJPDCJ-UHFFFAOYSA-N 371.234 4.675 0 40 FJAB COc1ccccc1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 10803098 VUSQBFPRMLCVDV-HSZRJFAPSA-N 363.432 4.625 0 40 FJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccsc1 12808517 RRNWMELLPUPMDE-UHFFFAOYSA-N 352.246 4.552 0 40 FJAB Cc1csc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)n1 12814706 FBVVSSYJYPAIFW-UHFFFAOYSA-N 369.515 4.545 0 40 FJAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1Oc1ccccc1 14848065 IJIPKIYEZMEODA-UHFFFAOYSA-N 369.424 4.846 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc2c1CCCC2 21053151 FHCWEWMFZCLRMP-UHFFFAOYSA-N 365.864 4.965 0 40 FJAB Cc1nc2sc3c(c2c(-c2ccco2)c1C(=O)N(C)C)CC[C@@H](C)C3 22385915 ASTAPICVMZDUCV-LLVKDONJSA-N 354.475 4.691 0 40 FJAB Fc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1 23126584 GPAAMCUVSXPBLZ-UHFFFAOYSA-N 353.397 4.967 0 40 FJAB COC(=O)[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 23818912 CHBLCKVLGQHKAA-IBGZPJMESA-N 355.821 4.604 0 40 FJAB CCn1c2ccccc2c2cc(/C=C/C(=O)N(C)Cc3cc(C)on3)ccc21 25136844 GSWWPFBGCBKNNC-ZRDIBKRKSA-N 373.456 4.783 0 40 FJAB Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)c(C)s1 31721507 IPIVATKAOXALIM-UHFFFAOYSA-N 359.900 4.606 0 40 FJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(Cc2ccccc2)CC1 32879227 VNTWPTRTJXPNBB-UHFFFAOYSA-N 374.484 4.756 0 40 FJAB Cc1ccccc1-c1noc(CSc2ccc(-c3ccccc3)nn2)n1 33262424 RGZWPIRPDJLOOY-UHFFFAOYSA-N 360.442 4.794 0 40 FJAB Cc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1 36246307 DWSLLBLILYRSEG-UHFFFAOYSA-N 355.434 4.530 0 40 FJAB CC(C)c1ccc(C(=O)c2cccc(I)c2)cc1 36819431 YUKMIQZYTAYRMU-UHFFFAOYSA-N 350.199 4.646 0 40 FJAB COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 37458123 ZANBINYQLPJHJL-AUUYWEPGSA-N 358.869 4.513 0 40 FJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2ccccn2)oc2c(F)cccc12 39973621 HBBBEJWSKHMNJL-LJQANCHMSA-N 360.388 4.795 0 40 FJAB Oc1c([C@H](Nc2ccc(Cl)cn2)c2ccncc2)ccc2cccnc12 46085421 HZXKLEKNBHZFFN-GOSISDBHSA-N 362.820 4.585 0 40 FJAB Cc1ccc(Br)cc1NC(=O)N1CCC[C@H]1c1ccncc1 47570951 XENBCQOEOCEJTD-INIZCTEOSA-N 360.255 4.522 0 40 FJAB CCOc1ccc([C@@H]2CCCN2CC(=O)N(CC)c2ccccc2C)cc1 58029517 VOPCRLRZMJNYFB-QFIPXVFZSA-N 366.505 4.584 0 40 FJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[C@H](C(F)(F)F)C1 58075344 ZJVCHSMBZDDITH-NSHDSACASA-N 353.344 4.511 0 40 FJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1cccc(Cl)c1F 58316847 PRUULAFXHPCSNA-UHFFFAOYSA-N 373.815 4.807 0 40 FJAB Cc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1 63451459 HCDZMEPMJMCKGA-UHFFFAOYSA-N 369.412 4.713 0 40 FJAB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(Cl)cc1Cl 72310611 ZBSCLXSNMMUSMB-AMXDTQDGSA-N 356.318 4.924 0 40 FJAB O=C(Nc1ccccc1)Nc1nnc(Cc2cccc3ccccc23)s1 95116310 DKYJVHRCIAAUHY-UHFFFAOYSA-N 360.442 4.926 0 40 FJAB O=C(Nc1ccccc1Cl)c1cnc(-c2noc3ccccc23)s1 96266578 HMNDHDNUBFQKLT-UHFFFAOYSA-N 355.806 4.857 0 40 FJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)c(F)c1)[C@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100194823 QOSKTUBJFPMFKX-PVZGUSGQSA-N 355.384 4.960 0 40 FJAB COc1ccc(Cl)cc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219480865 CVWBPVMOHYKBOK-MRXNPFEDSA-N 367.923 4.731 0 40 FJAB CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1C 225294015 KTIDEJTZRLEHBU-QFIPXVFZSA-N 361.489 4.738 0 40 FJAB CCOc1ccc(CCCNC(=O)C2(c3ccccc3)CCCC2)cc1 225444135 IAIMSPJGCFGHRQ-UHFFFAOYSA-N 351.490 4.646 0 40 FJAB O=C(O)c1cc(Br)c(OCc2ccc3ccccc3c2)cc1O 226346566 CWDKEVGLWJRABT-UHFFFAOYSA-N 373.202 4.585 0 40 FJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C(CC)CC)CC2)n1 257221900 DRABWHCQJVTPSN-UHFFFAOYSA-N 369.509 4.750 0 40 FJAB COc1ccccc1-c1nnc(SC(=O)c2ccc3ccccc3c2)o1 408618085 BVRFHPMMKNJVCA-UHFFFAOYSA-N 362.410 4.831 0 40 FJAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 408627760 NLYSMUQKDHMMTJ-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB O=C(COc1cccc(CNc2ccc(Cl)cc2)c1)Nc1ccccc1 409258362 WOYASTILMRAPNG-UHFFFAOYSA-N 366.848 4.970 0 40 FJAB CCC(=O)Cn1c(SCCOc2cc(C)cc(C)c2)nc2ccccc21 585655845 ZCJJOEMWNLEUAA-UHFFFAOYSA-N 368.502 4.803 0 40 FJAB O=C(NCc1cccc(F)c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 728065202 DTUHGJKKYNDARG-QGZVFWFLSA-N 366.358 4.891 0 40 FJAB Cc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888913596 UVRDVVWKLSBPGD-UHFFFAOYSA-N 374.897 4.903 0 40 FJAB Cc1cccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c1 632735 SCZNORZLLULNHR-UHFFFAOYSA-N 360.364 4.847 0 40 FJAB CCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1 929090 YCEFXTKDHZGCTO-UHFFFAOYSA-N 356.422 4.625 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CSc2ccccc2)C(=O)CCC1 978751 OMVWPWLVRXFTKV-INIZCTEOSA-N 365.498 4.622 0 40 FJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 998075 WDKIJBWTRPPSBE-LLVKDONJSA-N 354.233 4.716 0 40 FJAB Cc1c(C(=O)O[C@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 1070599 NAYSKQRCCYBSED-RBOXIYTFSA-N 357.475 4.643 0 40 FJAB O[C@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(F)cc1 1615854 JOTQVNUKFKKTQB-SFYKDHMMSA-N 353.481 4.574 0 40 FJAB O=C(Nc1ccc(F)c(F)c1F)c1cc(Br)ccc1Cl 2624982 KVSYXEVJBBMCHK-UHFFFAOYSA-N 364.548 4.772 0 40 FJAB COCCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 3504097 KWGMMFCJJDCUAR-UHFFFAOYSA-N 370.474 4.553 0 40 FJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4540002 ZEXLTRSZOSYDJI-FQEVSTJZSA-N 361.372 4.532 0 40 FJAB CCCCc1ccc(Nc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1 4658083 QCOBNAQWGNYAHP-UHFFFAOYSA-N 373.460 4.910 0 40 FJAB Cc1cc(=O)oc2c(C)c(Oc3nnc(-c4ccccc4)s3)ccc12 4666709 XSJQLTJGVKHPGE-UHFFFAOYSA-N 350.399 4.721 0 40 FJAB C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H]1C 4669105 JFSLYLPYWICGFK-QINHECLXSA-N 359.473 4.851 0 40 FJAB Cc1noc(C)c1COC(=O)c1ccccc1-c1nc2ccccc2s1 4927117 CRQXRTHEYCELTC-UHFFFAOYSA-N 364.426 4.925 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 6184326 GEUGWPBJLDJBNP-UHFFFAOYSA-N 363.505 4.703 0 40 FJAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 6396921 ORADCHAVHXDTOL-UHFFFAOYSA-N 354.450 4.855 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1 6583627 JCQKISVFRVHRIX-VOTSOKGWSA-N 352.217 4.663 0 40 FJAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 7666818 UFNZSUGPMAJICG-UHFFFAOYSA-N 350.443 4.502 0 40 FJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nccs2)cc1 7684229 AZBXOMLRVDHIMZ-UHFFFAOYSA-N 358.850 4.789 0 40 FJAB Cc1nc(COc2ccc(C(=O)Nc3ccccc3Cl)cc2)cs1 7908653 CWEVWGBDJFSROJ-UHFFFAOYSA-N 358.850 4.936 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1 8161682 SRZKWNPMSZZRBR-IEBWSBKVSA-N 368.477 4.523 0 40 FJAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(NC(C)C)s3)o2)cc1 8753116 IPAPTVXNQDHLQP-LLVKDONJSA-N 361.496 4.570 0 40 FJAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 10276690 SBSFFDKMZWGKMN-CQSZACIVSA-N 365.926 4.818 0 40 FJAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2cnn(C(C)C)c2n1 10808796 IJMLAYJGQOOYNE-UHFFFAOYSA-N 363.248 4.880 0 40 FJAB Cc1scc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c1C 12188233 VURXZICRAXEMKF-SFHVURJKSA-N 350.487 4.933 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1F 13709967 CNTYJGKLHVNQCD-VIFPVBQESA-N 372.621 4.648 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H](C)c1ccccc1 14934561 HDFBJFVLPZZIPH-CYBMUJFWSA-N 371.843 4.507 0 40 FJAB O=C(c1ccco1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19342031 UBENEIVEPMRMDK-QGZVFWFLSA-N 354.381 4.831 0 40 FJAB Cc1nn([C@@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)c(C)c1C 19654573 LFMIKNPACNPSHY-HNNXBMFYSA-N 366.513 4.635 0 40 FJAB Nc1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1Cl 20520938 CRAHCSJEIPDHJB-UHFFFAOYSA-N 360.038 4.590 0 40 FJAB CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 21596415 KXDDATXMROLVJV-UHFFFAOYSA-N 353.274 4.683 0 40 FJAB COc1cccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)c1 22072119 VMOGUXUJJHRKQH-UHFFFAOYSA-N 371.799 4.879 0 40 FJAB CN(Cc1ccccc1NC(=O)[C@]1(C)CC1(Cl)Cl)C1CCCCC1 26129391 SURCZKNFSWLGIQ-SFHVURJKSA-N 369.336 4.974 0 40 FJAB CC(C)c1ccc(CN(C(=O)COc2ccccc2)c2ccccn2)cc1 27749715 UWVVAUWMTUJAOA-UHFFFAOYSA-N 360.457 4.817 0 40 FJAB COc1cc(C(=O)Nc2cccc(O)c2)ccc1OCc1ccc(C)cc1 33445663 VIOAUZIUKMJDJX-UHFFFAOYSA-N 363.413 4.541 0 40 FJAB COc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCc1ccccc1 33715762 GGRADIQVMWAILX-UHFFFAOYSA-N 359.853 4.554 0 40 FJAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H]1CCSc2ccccc21 40068817 BHKITJDJXMUAHU-PBHICJAKSA-N 356.491 4.601 0 40 FJAB Cc1cc(F)ccc1NC(=O)N(C)Cc1ccc(Br)cc1 40103557 WNLWNWTUTATJIF-UHFFFAOYSA-N 351.219 4.561 0 40 FJAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 40485945 HNVOHQUWBYSWMZ-FQEVSTJZSA-N 363.388 4.780 0 40 FJAB CCN(C(=O)NC1CCN(CC(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 56597136 PDNYOUGCQZUABU-KRWDZBQOSA-N 371.525 4.646 0 40 FJAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3C)n2)n1 72375266 OILZHIHCIHHKQN-NRFANRHFSA-N 373.504 4.878 0 40 FJAB CN(C(=O)c1cccc(NC(=O)c2cccnc2)c1)C1CCCCCCC1 89335000 RMCQUNXXRNGEJH-UHFFFAOYSA-N 365.477 4.519 0 40 FJAB CCOC(=O)[C@H](C)Oc1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1 91695607 VTRLBJUAZSCSGJ-JTQLQIEISA-N 373.758 4.751 0 40 FJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NC(C)C)cc34)co2)cc1 96154303 OMKNBYOKVCLYMB-UHFFFAOYSA-N 361.401 4.596 0 40 FJAB C[C@]12CC3CC(C(=O)Nc4ccc(Br)cn4)(C1)C[C@](C)(C3)C2 101087291 AZDUVMNPPOBBBU-MZWUQJOJSA-N 363.299 4.779 0 40 FJAB CCc1cccc(C)c1NCc1nnc(-c2ccc(Br)o2)o1 133142676 HKWPIOFDNAJBMZ-UHFFFAOYSA-N 362.227 4.575 0 40 FJAB CCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 205591698 FQRBITKNUYPGJI-QNGOZBTKSA-N 374.440 4.560 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)CCSCc2ccccc2)cc1 218997081 LBIJXLIQMVDEDG-UHFFFAOYSA-N 371.546 4.846 0 40 FJAB Cc1cc(C)c([C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C 223495609 NIIUHZRKRJJIBF-SFHVURJKSA-N 351.490 4.747 0 40 FJAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1cccc(Cl)c1 224149415 RWYXUSICUJMQTJ-UHFFFAOYSA-N 373.880 4.800 0 40 FJAB COc1ccc(C(=O)NCC(C)C)cc1COc1ccc(Cl)c(C)c1 224201270 BEAISYMKPDMUNU-UHFFFAOYSA-N 361.869 4.622 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 224885170 OOYUUXKFCLHVLG-ZDUSSCGKSA-N 353.340 4.608 0 40 FJAB O=C(O)[C@@H](Cc1cccc(Br)c1)Sc1ccc(Cl)cc1 225064518 RRABFEHQBOXPTH-CQSZACIVSA-N 371.683 4.891 0 40 FJAB CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1ccc(F)c(F)c1 225503201 AQMGWPMEJMBREU-UHFFFAOYSA-N 354.400 4.725 0 40 FJAB O=C(NCc1cccnc1-c1ccco1)c1cc2cc(F)ccc2s1 225661042 NCYKGKFLILXDKO-UHFFFAOYSA-N 352.390 4.625 0 40 FJAB CCOc1ccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225666602 XSWDRONHRHFXBQ-UHFFFAOYSA-N 369.505 4.888 0 40 FJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)nc1C 225897699 NYOAOLQXJLKJMB-FQEVSTJZSA-N 350.503 4.883 0 40 FJAB Cc1c(N)cccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 226272564 NIMNCCKFJBJGKK-UHFFFAOYSA-N 362.273 4.867 0 40 FJAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccccc1 408561348 IDFZDNAAQOVXEY-DQRAZIAOSA-N 366.486 4.549 0 40 FJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 408700698 KLDWXRHNFQSAHJ-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB COc1ccc(CCCc2nnc(SCc3ccccc3)o2)cc1C 409012533 IRFWHFUICURQND-UHFFFAOYSA-N 354.475 4.854 0 40 FJAB CCc1ccc(-n2c(C)nnc2SCCOc2ccccc2Cl)cc1 409095333 BXBHSWZNZYFQAA-UHFFFAOYSA-N 373.909 4.963 0 40 FJAB CCc1ccc(O)c(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1 1558942456 BHLBPFMTGUYGAV-UHFFFAOYSA-N 363.413 4.764 0 40 FJAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)s1 1615158685 RZIVHTHSGOYZIA-NRFANRHFSA-N 372.509 4.859 0 40 FJAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccccc1OCC 939526 WXTJLJAEYXJNNE-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB CCCC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 940014 PGOJEUOJIFZWAL-UHFFFAOYSA-N 352.386 4.908 0 40 FJAB CN(C(=S)NC(=O)/C=C/c1cccc2ccccc12)C1CCCCC1 2136811 LRRDUWCWSLSVND-CCEZHUSRSA-N 352.503 4.519 0 40 FJAB O=C(N/C=C/c1ccccc1Cl)OCc1ccc(Br)cc1 3105686 VLRCPPHYVYUKQK-MDZDMXLPSA-N 366.642 5.000 0 40 FJAB COc1ccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc(OC)cc2)cc1 4626003 FUBMGWYGTXICIX-UHFFFAOYSA-N 357.413 4.823 0 40 FJAB CC(C)(C)c1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1 6313532 RIUOXPSINGCDDA-UHFFFAOYSA-N 357.881 4.917 0 40 FJAB CCN(CC)C(=O)Cn1cc(SCc2ccccc2)c2ccccc21 6867086 SNXWDPPNGLSSRW-UHFFFAOYSA-N 352.503 4.802 0 40 FJAB O=C(CNc1ccc(Br)cc1)Nc1cccc2ccccc12 6923497 XXNVFXDEPYIOIJ-UHFFFAOYSA-N 355.235 4.653 0 40 FJAB C[C@@H]1Sc2nnc(Cc3cccc4ccccc34)n2N=C1c1ccccc1 7238805 SDEFNNCOWAGZAT-HNNXBMFYSA-N 370.481 4.769 0 40 FJAB Cc1cccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1C 7942041 FKHQGZXFTNPQEG-UHFFFAOYSA-N 354.450 4.580 0 40 FJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@H]2CCCC[C@@H]2C1 8134612 SEVZOONAAWEDOF-IEBWSBKVSA-N 359.473 4.678 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 8830902 KQEXEFNKRDFKJG-UHFFFAOYSA-N 370.430 4.612 0 40 FJAB Cc1ccc([C@H]2Cc3cc(C(=O)NC4CCCCC4)ccc3C(=O)O2)cc1 11666585 CCHMBJCKLROWPM-OAQYLSRUSA-N 363.457 4.512 0 40 FJAB CCC[C@H]1c2cccn2CCN1C(=O)c1nc(-c2ccc(F)cc2)oc1C 12206529 MTLVYQNUSXGVPO-SFHVURJKSA-N 367.424 4.588 0 40 FJAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cccc(Cl)c1 12276046 FKYLGOYTMBVNLK-UHFFFAOYSA-N 354.789 4.544 0 40 FJAB O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2sccc2N1 12374459 YIRMCHIZNKMVLR-QGZVFWFLSA-N 353.418 4.940 0 40 FJAB COc1ccc(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1Cl 12651415 VZHDTXDEEYZOSW-CCHVVGMOSA-N 354.277 4.865 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2cc(F)ccc2F)cc1OC 12807116 JSDSTJVUFKRFOE-UHFFFAOYSA-N 355.768 4.668 0 40 FJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)CCc4ccco4)[C@H]3C=C12 12865746 ORYWHTWXSGORLG-HXLBFEBVSA-N 371.521 4.505 0 40 FJAB biogenic CC(=O)Nc1ccc(-c2csc(NCCc3cccs3)n2)c(F)c1 12896079 ZLBJECLRQSAFKL-UHFFFAOYSA-N 361.467 4.624 0 40 FJAB Cc1nc(-c2cc(C(=O)OCc3c(F)cccc3Cl)n(C)c2)cs1 12996070 ZGGIYVXFNLHWBA-UHFFFAOYSA-N 364.829 4.607 0 40 FJAB CC(C)c1ccc([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 13041903 WTUITPHBMIVBRB-LBPRGKRZSA-N 350.384 4.517 0 40 FJAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(Cc2ccccc2)n1 13701339 FCZNANGANAWXMI-UHFFFAOYSA-N 360.244 4.799 0 40 FJAB Fc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1 13816165 GKOPEFJMFKPPPZ-UHFFFAOYSA-N 361.420 4.867 0 40 FJAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1 15413755 CTUSJQXZBSTBGM-UHFFFAOYSA-N 366.642 4.704 0 40 FJAB Cc1cc(C)cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 15581017 RKKWDDCXPPRQTK-UHFFFAOYSA-N 354.450 4.580 0 40 FJAB Cc1cccc(N2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)c1 15584223 RAXCBTJLKWKZKS-UHFFFAOYSA-N 373.500 4.629 0 40 FJAB c1cc(CN[C@H](Cc2ccsc2)c2nccs2)c2cccnc2c1 19293254 HIJWZVVSGSBEQL-GOSISDBHSA-N 351.500 4.826 0 40 FJAB C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19889679 XGHRSOOIFQRQQF-AKIFATBCSA-N 374.528 4.809 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20140193 UEAAOLYEQKWVRM-UHFFFAOYSA-N 355.777 4.859 0 40 FJAB CCOc1cc(OCC)cc(-c2n[nH]c(Nc3ccc(Cl)cc3)n2)c1 20411716 SPTWMNGVIGCSIP-UHFFFAOYSA-N 358.829 4.666 0 40 FJAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)s1 21934054 JUTAUCFBQHKLAQ-HNNXBMFYSA-N 355.503 4.776 0 40 FJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2CCCCC2)cc1 22702854 OCZIYPSHLMXETH-UHFFFAOYSA-N 351.446 4.735 0 40 FJAB O=C1OCCN1CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 29279836 PBZSESRCHJFLFF-UHFFFAOYSA-N 366.442 4.553 0 40 FJAB CC(C)c1ccc(OCC(=O)N(Cc2cccc3[nH]ccc23)C2CC2)cc1 32096586 TYDNXWFFFRUOEN-UHFFFAOYSA-N 362.473 4.861 0 40 FJAB CCC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 32718998 FUUIUVYYFYSUEC-HNNXBMFYSA-N 367.445 4.524 0 40 FJAB c1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccccc5)CO4)c3)=N2)cc1 34558529 OIHAUXMSWARTNJ-VXKWHMMOSA-N 368.436 4.723 0 40 FJAB c1ccc(Cn2cc(-c3ccnc(N4CCCC4)n3)c3ccccc32)cc1 36354008 AZNVPKMSCPXJSV-UHFFFAOYSA-N 354.457 4.747 0 40 FJAB Cc1nc2cc(NC(=O)c3cc(-c4ccccc4Cl)on3)ccc2o1 40086975 FPNSEYUUMGZVHL-UHFFFAOYSA-N 353.765 4.697 0 40 FJAB CSCc1nnc(SCc2coc(-c3ccccc3Cl)n2)o1 58171563 DALNGZFCOWQIPM-UHFFFAOYSA-N 353.856 4.533 0 40 FJAB Cc1ccc(COc2ccc(/C=C/C(=O)Nc3ccc(O)cc3)cc2)cc1 62715069 KKBUUIBTWSHHTP-OVCLIPMQSA-N 359.425 4.932 0 40 FJAB Cc1cc(NC(=O)CS[C@@H](C)c2c(F)cccc2F)n(C(C)(C)C)n1 63431009 VFMQUHKHAYFSNM-LBPRGKRZSA-N 367.465 4.658 0 40 FJAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 72328519 MPIAINXXEGPUJB-UHFFFAOYSA-N 367.880 4.982 0 40 FJAB CC(C)(C)n1cc(NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cn1 93281797 KLAJTMVDHMBWLW-UHFFFAOYSA-N 367.280 4.535 0 40 FJAB C[C@@H](Oc1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193919 OFQBXUBLFMSDNN-GFCCVEGCSA-N 362.414 4.739 0 40 FJAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 96782993 CCMKLTHOGCXBEH-FQEVSTJZSA-N 366.461 4.550 0 40 FJAB CSc1ccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)o1 113720246 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373.349 4.813 0 40 FJAB CC1(C)C[C@@H](N(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)CCO1 2298905 JNHUNKDPMNOMAS-IBGZPJMESA-N 359.416 4.565 0 40 FJAB O=C1S[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2304433 MPZOLNYPRIHJKV-ZDUSSCGKSA-N 353.230 4.631 0 40 FJAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)c(Cl)c1)C3 2420233 JYVDXUNPRMPLQP-UHFFFAOYSA-N 355.821 4.674 0 40 FJAB CCCCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721313 OOYAXVGRTIQKCH-CQSZACIVSA-N 355.869 4.981 0 40 FJAB CCCCC(=O)Nc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12 3655546 HVKJRESTRYQFQK-UHFFFAOYSA-N 351.402 4.801 0 40 FJAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 4059628 IWZXUANHCGJKEU-UHFFFAOYSA-N 364.514 4.794 0 40 FJAB CCc1cc2cc3c(cc2nc1SCC(=O)c1ccc(F)cc1)OCO3 4849515 LOSYCQQXFRRDTI-UHFFFAOYSA-N 369.417 4.640 0 40 FJAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 4881145 MBPHANRNSMAQJR-UHFFFAOYSA-N 365.191 4.718 0 40 FJAB CC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 5168621 GWIASFCQMZHVFY-UHFFFAOYSA-N 351.475 4.622 0 40 FJAB 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Cc1[nH]c2ccc(C(=O)Nc3cccc(Oc4cnccn4)c3)cc2c1C 43773234 WVDCGFNURKBJGA-UHFFFAOYSA-N 358.401 4.619 0 40 FJAB Cc1ccc(OCc2nnc(SCc3ccc(Cl)s3)o2)cc1 48373988 UMBDEXXTHXBAFW-UHFFFAOYSA-N 352.868 4.964 0 40 FJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCC(Oc2ccccc2)CC1 55975803 LBJJPFTZYIPGSX-UHFFFAOYSA-N 374.440 4.558 0 40 FJAB C[C@H](N[C@@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1F 57478073 FXULDBYEVHDMRQ-DJJJIMSYSA-N 372.440 4.733 0 40 FJAB O=C(O)C1=NN(c2ccc(Oc3ccccc3)cc2)[C@H](c2ccccc2)C1 71979121 UWOKOEMYGMPTBX-NRFANRHFSA-N 358.397 4.871 0 40 FJAB CC(C)N(C(=O)CCc1cccs1)c1ccccc1Br 95997577 YMXLLFXBPNBWKN-UHFFFAOYSA-N 352.297 4.885 0 40 FJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 219515485 ZPXMDORSMWNHDW-PGRDOPGGSA-N 369.505 4.983 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219595827 WXNBFPZQYGLIKP-WOJBJXKFSA-N 367.489 4.879 0 40 FJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224152481 AYOAOHJITIIFLC-IAGOWNOFSA-N 351.500 4.629 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 224924195 YSISDPRLICVBCF-SFHVURJKSA-N 358.869 4.736 0 40 FJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 224935210 XDAHPTXZZPLCED-UHFFFAOYSA-N 352.478 4.602 0 40 FJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC)c2ccccc2)c1 225481181 OPKVMAWMUVKOIK-QGZVFWFLSA-N 356.491 4.609 0 40 FJAB C[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 245240224 NUCMWTKQBVNDFA-KLBQQLNNSA-N 365.517 4.508 0 40 FJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2)cc1 408675420 INNUCAMURUZGEX-UHFFFAOYSA-N 354.409 4.736 0 40 FJAB Cc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C 409383755 FCOYFOTVDANDIM-UHFFFAOYSA-N 369.461 4.838 0 40 FJAB CC(C)c1ccoc1-c1nc(-c2ccc(OC3CCOCC3)cc2)no1 585084279 YCFCDPZFFACKKQ-UHFFFAOYSA-N 354.406 4.678 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 666036 YQOBCXFGEDDWDM-UHFFFAOYSA-N 355.488 4.700 0 40 FJAB Cc1cc(C)c(NC(=O)/C=C/C(=O)Nc2c(C)cc(C)cc2C)c(C)c1 811301 LNYYXROMJCIPIV-BQYQJAHWSA-N 350.462 4.671 0 40 FJAB COc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1O 881955 VZNAHNPPCGRAIR-UHFFFAOYSA-N 351.450 4.769 0 40 FJAB CCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccc(C)c2)s1 1345431 AJVUPQCENFFAGZ-UHFFFAOYSA-N 367.474 4.579 0 40 FJAB O=C(Nc1nnc(SCc2ccccc2)s1)Nc1ccccc1F 2234306 KLUFUTDYQRXDRM-UHFFFAOYSA-N 360.439 4.614 0 40 FJAB Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)c1 2263456 ZZGVEPWQAOGCMR-UHFFFAOYSA-N 365.289 4.566 0 40 FJAB CC(=O)Nc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 2617948 GQKYWJRDANCNQU-UHFFFAOYSA-N 362.882 4.809 0 40 FJAB O=C(COc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1 2736875 YYESABIJFBSWKY-UHFFFAOYSA-N 360.438 4.981 0 40 FJAB O=C(COC(=O)c1cc(Cl)nc2ccccc12)c1ccc(Cl)cc1 2775825 XEZGVPWKEIKLET-UHFFFAOYSA-N 360.196 4.581 0 40 FJAB COC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 4526207 IADSDLLYTRYOJW-AQTBWJFISA-N 371.864 4.581 0 40 FJAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1cccc(Cl)c1 4954468 DSFSUJAOVILGHO-ZRENRBBTSA-N 361.828 4.789 0 40 FJAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccco1 5346089 TYKOWYHRRZSBLR-UHFFFAOYSA-N 365.385 4.913 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2Br)c1 6029168 IKFSSVXGQAJRQE-UHFFFAOYSA-N 362.267 4.898 0 40 FJAB Cc1ccccc1[C@H](C)NC(=O)/C=C/c1cc(Br)ccc1F 6053928 GQYYVNQFBRRAEY-RSPDNQDQSA-N 362.242 4.787 0 40 FJAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccs2)cc1 6679078 FUGOKBUSXOKKAF-DYVFJYSZSA-N 369.515 4.714 0 40 FJAB COC(=O)c1ccsc1NC(=O)c1sc2cccc(F)c2c1Cl 6735207 RGDRYNRFQZMDGI-UHFFFAOYSA-N 369.826 4.794 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(F)cccc2s1 6822085 GXJGATAOOGKEKV-UHFFFAOYSA-N 355.419 4.811 0 40 FJAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(C(F)(F)F)c1 6977818 HJKRFQOOOFKRNW-GOSISDBHSA-N 356.347 4.620 0 40 FJAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc(N2CCCC2)cc1 7383614 BFRASPLDQJPTQC-UHFFFAOYSA-N 359.429 4.726 0 40 FJAB CC(=O)c1cccc(NC(=O)c2ccccc2SCc2cc(C)no2)c1 9737258 UPKFHOFDFFNBHI-UHFFFAOYSA-N 366.442 4.730 0 40 FJAB COc1cccc2cc(-c3csc(NC(=O)c4cccc(F)c4)n3)oc12 10747554 WJWMOGXJEAQYMG-UHFFFAOYSA-N 368.389 4.956 0 40 FJAB C[C@H]1CCc2c(sc3ncnc(SC[C@@H](O)c4ccccc4)c23)C1 11530670 KKNOWBPAAANZOS-SWLSCSKDSA-N 356.516 4.642 0 40 FJAB COc1cc(/C=C/C(=O)O)c(Cl)cc1OCc1ccccc1Cl 12394620 ABGRTTPDQCERDW-VOTSOKGWSA-N 353.201 4.679 0 40 FJAB O=C(N[C@@H]1CCc2ccccc21)c1cc(Br)ccc1Cl 12921937 YBSPDPTXCAPXFT-OAHLLOKOSA-N 350.643 4.520 0 40 FJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cc(Cl)cc(Cl)c1 12938647 QQTPBRHBPJQREB-UHFFFAOYSA-N 368.245 4.676 0 40 FJAB C[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13494999 TZUHUPROAMIJJR-CYBMUJFWSA-N 367.424 4.664 0 40 FJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3c(OC)ccc4ccccc34)C2)cc1 14181572 YBCDRHKLPZUDSA-NRFANRHFSA-N 374.440 4.555 0 40 FJAB COc1c(Cl)cc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Cl 14258543 CWDBXASXJAQFPR-UHFFFAOYSA-N 354.277 4.557 0 40 FJAB CCCCSc1nc(O)c(CCCC)c(=O)n1-c1ccc(C)c(C)c1 16639490 UHSNCCFFEMDPJK-UHFFFAOYSA-N 360.523 4.790 0 40 FJAB Cc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1 16842861 MOVVVLJCEFATAS-UHFFFAOYSA-N 350.422 4.814 0 40 FJAB COc1ccccc1CN[C@H](Cc1ccsc1)c1nc(C)c(C)s1 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351.450 4.506 0 40 FJAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1c(F)cccc1Cl 58282511 DRIAESLRUNSRNO-QFIPXVFZSA-N 350.764 4.947 0 40 FJAB O=C(NCc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 70140587 GKXRBHKHONZFLF-UHFFFAOYSA-N 359.050 4.686 0 40 FJAB O=C(/C=C/c1ccccc1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 85562257 QXEAPIYISGGKED-IPLHWJFFSA-N 362.256 4.607 0 40 FJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 109417195 LCZOSGZXIZRSGM-UHFFFAOYSA-N 350.418 4.538 0 40 FJAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 216898677 YMCHNHXYCHSXAB-VMPITWQZSA-N 367.228 4.767 0 40 FJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 219546948 DGGHJJSCWJZCOA-GCJKJVERSA-N 369.505 4.983 0 40 FJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(C)cc1 223026723 SEKCYIDPDGNSQB-HXUWFJFHSA-N 359.897 4.863 0 40 FJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)c1 224225235 CDTNKWCNBYWJGR-VQTJNVASSA-N 362.502 4.512 0 40 FJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c(C)c1 225574496 LMFAKVWWQUXUCG-UHFFFAOYSA-N 374.887 4.947 0 40 FJAB FC(F)(F)c1cccc(C2(NC(=S)Nc3cccnc3)CCCC2)c1 225873880 LJRVYFUYPJCUDD-UHFFFAOYSA-N 365.424 4.856 0 40 FJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225894619 ZWFZWZUOEYVIOE-NRFANRHFSA-N 358.482 4.802 0 40 FJAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)CC(C)C)C2)n1 257318306 VNIHXRHCTIWAON-INIZCTEOSA-N 355.457 4.635 0 40 FJAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cccc2ccccc12 409090864 QVBHCWSIPXAISH-RGEXLXHISA-N 350.487 4.572 0 40 FJAB CCc1ccccc1NCc1ccccc1OS(=O)(=O)c1ccccc1 409110518 DIEXMGNAEIYXTH-UHFFFAOYSA-N 367.470 4.629 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1cccc2ccccc12)[C@@H]1CC12CCOCC2 530657448 JOEJNBXKJQUDPJ-GOTSBHOMSA-N 371.480 4.862 0 40 FJAB Cn1ccnc1[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1cccc(F)c1 534235620 OJVFVZDRJIVFCH-WOJBJXKFSA-N 369.871 4.969 0 40 FJAB S=C1N(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N2CCCN12 635369 HATQUCVDTHIZFZ-INIZCTEOSA-N 364.301 4.720 0 40 FJAB O=C(O[C@H]1c2ccccc2CC[C@H]1OC(=O)c1ccccc1)c1ccccc1 712541 MLIXBYKGYZTPME-YADHBBJMSA-N 372.420 4.757 0 40 FJAB COc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1 1083530 ISQQBWJDBNQSEJ-UHFFFAOYSA-N 350.443 4.635 0 40 FJAB CCOC(=O)c1c(NC(=S)Nc2ccccc2C)sc2c1CCCC2 1296547 BDVVUBGKDMUTLM-UHFFFAOYSA-N 374.531 4.921 0 40 FJAB CC(C)Cc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCC2 2231469 HBGOCPXOYIQFPO-UHFFFAOYSA-N 352.507 4.527 0 40 FJAB CCOc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)[nH]c2=S)cc1 2689237 KNTRTQJGFCKVTM-UHFFFAOYSA-N 356.447 4.618 0 40 FJAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(Cl)cc1 3008107 QCOZUPCJPMWLCJ-UHFFFAOYSA-N 373.840 4.664 0 40 FJAB CC(C)(C)C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3155679 FNIHJFVDXSMMRP-JTQLQIEISA-N 358.096 4.611 0 40 FJAB O=C(COc1ccc(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21 3382421 FCWXDDXWCLKWDG-MRXNPFEDSA-N 350.245 4.566 0 40 FJAB COc1ccccc1NCc1nn2cc(-c3ccccc3)c3c2n1CCCC3 4303651 JCNQRLPFIBMCOO-UHFFFAOYSA-N 372.472 4.760 0 40 FJAB Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)c1 4714068 DXMCWLGHSLFZDI-JCMHNJIXSA-N 369.420 4.919 0 40 FJAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1cccc(Cl)c1 4954467 DSFSUJAOVILGHO-HVUWCZLESA-N 361.828 4.789 0 40 FJAB CCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21 5478013 PAACJKMIGXJCLN-UHFFFAOYSA-N 350.447 4.617 0 40 FJAB CCc1cc2c(SCC(=O)NC3CCCCCCC3)ncnc2s1 6945760 STRGQYACMFMBJL-UHFFFAOYSA-N 363.552 4.575 0 40 FJAB Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)noc3C)n2)c(C)c1 7471738 NJZJPIZVODOHME-UHFFFAOYSA-N 369.490 4.912 0 40 FJAB CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 8941067 NJZYNNPGAVBWRA-UHFFFAOYSA-N 370.415 4.509 0 40 FJAB CCc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1 10338191 HWMLLRXEEJYLEI-UHFFFAOYSA-N 361.938 4.885 0 40 FJAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 11861350 SCUPHOPGFIPUMA-UHFFFAOYSA-N 361.608 4.933 0 40 FJAB Cc1ccc(Oc2ccc(OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 12618566 QNMBUXRORCZECJ-HDICACEKSA-N 353.462 4.671 0 40 FJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3C)s2)cc1 12999653 VBJMBCJKZLLJCP-UHFFFAOYSA-N 352.459 4.900 0 40 FJAB CCc1cccc(CC)c1NC(=O)c1sc(-c2ccccn2)nc1C 14115271 KOYYHMHIVHJIDG-UHFFFAOYSA-N 351.475 4.891 0 40 FJAB O=c1[nH]c(/C=C/c2cccc3cccnc23)nc2sc3c(c12)CCCCC3 14199103 NVWZJTJZXLZAPC-VAWYXSNFSA-N 373.481 4.972 0 40 FJAB CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 14912297 WBMWVEIXSZUYOH-UHFFFAOYSA-N 371.868 4.541 0 40 FJAB Cc1ccc(C)c([C@H](NC(=O)c2cccc(Cl)c2)c2cccnc2)c1 15839875 ZCGHBFTYWHQXIL-HXUWFJFHSA-N 350.849 4.871 0 40 FJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 15867418 FXDFWYMYFIPXQD-UHFFFAOYSA-N 363.413 4.729 0 40 FJAB CCc1nnc2c3ccccc3nc(Nc3cc(C)c(Cl)cc3OC)n12 16162616 ISVLFFYZLMSRAE-UHFFFAOYSA-N 367.840 4.554 0 40 FJAB Cc1nc2ccccc2n1CCNC(=O)c1sc2ccccc2c1Cl 16501747 BHTKMQIETGOMDU-UHFFFAOYSA-N 369.877 4.643 0 40 FJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2ncccc2C)cc1OC 19237641 KTCJDNWKGKEWEC-SFHVURJKSA-N 368.502 4.542 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](CC)c2ccc(C)cc2)cc1OCC 20110257 AGZVKXDTGQEKKE-HXUWFJFHSA-N 369.505 4.993 0 40 FJAB O=C1CCCN1c1ccccc1NCc1cc2ccccc2nc1Cl 24223158 MQFBEFFFNPRKPF-UHFFFAOYSA-N 351.837 4.627 0 40 FJAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1Cc2ccccc2O1 24709529 DUBCTDOZWDSVJT-XZOQPEGZSA-N 369.420 4.642 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)c2cccs2)c1 24925361 FXAJJWBHSDRLOW-AWEZNQCLSA-N 362.454 4.592 0 40 FJAB COc1cc(CN[C@@H](c2ccccc2)c2ccccn2)cc(Cl)c1OC 25363841 DJIBRORDIZAOKV-FQEVSTJZSA-N 368.864 4.631 0 40 FJAB O=C(CSCc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1 32094967 VMOXNKWBVOMGAC-UHFFFAOYSA-N 350.487 4.592 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1C 32524567 NAAHOTUIUQZKEP-UHFFFAOYSA-N 370.836 4.678 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2OC(F)(F)F)s1 32837420 HQSUXKSPRKMZNF-UHFFFAOYSA-N 357.353 4.557 0 40 FJAB Cc1ccc2[nH]cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)c2c1 35592668 IPRXBUPFHHCFBZ-UHFFFAOYSA-N 371.318 4.572 0 40 FJAB CC(C)c1ccc(C(=O)c2ccccc2I)cc1 36819386 VXIVOHWHOLFJKO-UHFFFAOYSA-N 350.199 4.646 0 40 FJAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833757 RYVXOAAXHSHOBG-HNNXBMFYSA-N 363.288 4.844 0 40 FJAB O=C1CCCN1c1ccccc1NCc1csc(-c2cccs2)n1 40012116 FRAJHRUVKKJEQK-UHFFFAOYSA-N 355.488 4.611 0 40 FJAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2cccc(Cl)c2Cl)C1 40287957 YOSPERTZJHAVHE-GFCCVEGCSA-N 359.216 4.698 0 40 FJAB COc1ccc(C(C)C)cc1CN1CCN(c2cccc3[nH]ccc23)CC1 44945010 KQLDNWDJVNJTQQ-UHFFFAOYSA-N 363.505 4.622 0 40 FJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C 65539177 YNPZDKNRXIIUOK-RTBURBONSA-N 352.478 4.633 0 40 FJAB C[C@@H]1Cc2ccc(F)cc2CN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 72292023 FEYAIHOUVDXDQH-SNVBAGLBSA-N 370.321 4.962 0 40 FJAB Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348850 BOJHKYAKSKMSBT-JOCHJYFZSA-N 357.501 4.755 0 40 FJAB C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Br)cc1Cl 78674885 JVYQNANUMZXLKU-HZMBPMFUSA-N 360.679 4.636 0 40 FJAB Cc1noc(C2CC2)c1NC(=O)Nc1ccnc(Oc2ccccc2)c1 95945368 YDMYQUQUXCSBRM-UHFFFAOYSA-N 350.378 4.692 0 40 FJAB Cc1nc(C(C)C)c(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)s1 96232771 ZAUZBVMPXBZAAL-UHFFFAOYSA-N 356.495 4.837 0 40 FJAB CCCNc1c(NC(=O)Nc2ccccc2CC)c(=O)oc2ccccc12 101096056 VYOCOJIGJYSJRI-UHFFFAOYSA-N 365.433 4.821 0 40 FJAB Cc1cccc(N2C(=S)N[C@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@@H]3C)c1 101269698 ACBUEXNZPIERBZ-LLSQANQASA-N 358.894 4.829 0 40 FJAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC3CCCCCC3)cn2)C1 224042073 GIRPDVGPGGTVHA-IYBDPMFKSA-N 360.571 4.573 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1 224085729 ZJDGROYJNVPAMO-UHFFFAOYSA-N 351.377 4.666 0 40 FJAB CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 224640059 OINATFNKGPSTPY-UHFFFAOYSA-N 357.519 4.905 0 40 FJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1 224919944 ZIDZJDNRXBRLBL-KRWDZBQOSA-N 360.457 4.846 0 40 FJAB COc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1OC 225849852 YKAVTICZPABQMH-UHFFFAOYSA-N 370.518 4.768 0 40 FJAB COc1cccc(-c2nnc(SC(=O)c3ccc(C(C)(C)C)cc3)o2)c1 408648009 CBGZWVGEXKKTPR-UHFFFAOYSA-N 368.458 4.975 0 40 FJAB C[C@H](S[C@@H]1CCO[C@H]1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 533169501 POULPECBIKKTSH-YZVOILCLSA-N 357.475 4.717 0 40 FJAB C[C@H](C1CC1)n1cc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1 548000552 VGYYLUQIHVTLCK-CQSZACIVSA-N 372.900 4.919 0 40 FJAB CSc1ccccc1C(=O)NC[C@H](c1csc2ccccc12)N(C)C 575622474 ZATJVZRNJVHTRG-QGZVFWFLSA-N 370.543 4.656 0 40 FJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1OCC 936344 JCRFPKRHIIIMIN-RIYZIHGNSA-N 369.461 4.923 0 40 FJAB Cc1cc2cccc(C)c2nc1S[C@H](C)C(=O)NCc1ccccc1 1346244 RBSPIOHUSDWIOH-MRXNPFEDSA-N 350.487 4.649 0 40 FJAB COc1ccc(-c2nc3ccccc3n2OCc2ccccc2Cl)cc1 1396571 QFZVSUYBMFZFGB-UHFFFAOYSA-N 364.832 4.994 0 40 FJAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Cl)cc12 1447853 NMHLCHMMVVPZCG-UHFFFAOYSA-N 358.777 4.791 0 40 FJAB biogenic O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 1962512 GCJKLEPRSGPCOW-LFIBNONCSA-N 373.408 4.674 0 40 FJAB CCOc1ccc(-n2c(SC(F)F)nnc2-c2cccc(C)c2)cc1 2655698 MCYYPMVYYLBMRZ-UHFFFAOYSA-N 361.417 4.956 0 40 FJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1Cl 3359553 SWHBEZJWYGENFY-CQSZACIVSA-N 359.853 4.956 0 40 FJAB Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc12 3911499 ARQZHVURYDJLAX-UHFFFAOYSA-N 363.442 4.886 0 40 FJAB COc1ccc(N[C@@H](c2c[nH]c3ccccc23)P(=O)(OC)OC)cc1 4499223 QFXYQBDUJIISLG-GOSISDBHSA-N 360.350 4.773 0 40 FJAB C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 5094212 CQBZZBXIYOKWBI-MRXNPFEDSA-N 353.425 4.788 0 40 FJAB FC(F)(F)c1cccc(-c2nnn(Cc3cccc4ccccc34)n2)c1 5992919 ISDVKBPFWVJPSU-UHFFFAOYSA-N 354.335 4.560 0 40 FJAB Cc1cccc(NC(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1 6057811 DCXURAWCZOZYII-UHFFFAOYSA-N 370.503 4.629 0 40 FJAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)c1ccc2ccccc2c1 6088155 LQJQUGUYQLHHGH-UHFFFAOYSA-N 353.834 4.740 0 40 FJAB COc1ccc(-c2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C)cc1 6838869 VDIGLKVAGIHRHM-UHFFFAOYSA-N 372.877 4.962 0 40 FJAB Cc1cc(Br)cc(C)c1NC(=O)Cn1ccc2ccccc21 6963471 LNCGFOQFABEXIT-UHFFFAOYSA-N 357.251 4.659 0 40 FJAB Cc1cc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1F 6963806 CEECIYNNZAFSJB-FSJBWODESA-N 350.393 4.990 0 40 FJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(C)=O)cc1OC 7814296 OULRDKVXOHVNJV-UHFFFAOYSA-N 361.825 4.592 0 40 FJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)c(Cl)c1 7917024 KFXJKLWSQJYNPU-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB CCOc1ccc2oc(C(=O)OCCCC(=O)c3ccccc3)c(C)c2c1 7976887 LUAMOYGSJFVHKR-UHFFFAOYSA-N 366.413 4.960 0 40 FJAB CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(C)c(C)c2)C(=S)N1 8023685 WMESRXOQOSUNTI-WIYYLYMNSA-N 352.503 4.800 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 8499354 RQRHAIYDSKAMFM-HNNXBMFYSA-N 354.233 4.798 0 40 FJAB CCn1c(SCc2cccc(F)c2F)nnc1-c1ccccc1OC 10242252 AEJYFWWDAWFORP-UHFFFAOYSA-N 361.417 4.544 0 40 FJAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 12539174 ACKPMTDHZRQSHQ-ZDUSSCGKSA-N 373.859 4.854 0 40 FJAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 12869182 VNKSCRMJLUTLSJ-SNVBAGLBSA-N 367.232 4.647 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)COc2c(C)cc(Cl)cc2C)cc1 12917407 VCXLNIPHYCDDQB-IBGZPJMESA-N 373.880 4.708 0 40 FJAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NCc3ccccc3)ccc21 14092799 HZQPICNOWBBDJT-QGZVFWFLSA-N 371.484 4.931 0 40 FJAB COc1ccc2cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)c(C)nc2c1 14701504 RSGOUGXFZGRCPN-AWEZNQCLSA-N 360.413 4.789 0 40 FJAB COc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1OCC(C)C 14909219 OCWAZWODTSXTDI-UHFFFAOYSA-N 359.853 4.586 0 40 FJAB O=C(NC1CC1)[C@H](Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 15462316 CZKMGPISIATBJM-JOCHJYFZSA-N 358.441 4.911 0 40 FJAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2Cc2ccoc2)c1 19235328 DAIVFVWRPKSNGP-GHTZIAJQSA-N 370.456 4.560 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20105557 RBBABYVAAXUHFD-LEWJYISDSA-N 373.468 4.895 0 40 FJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccccc1F)CO3 20403837 REGYSSBPYKXJIX-UHFFFAOYSA-N 373.811 4.554 0 40 FJAB Cc1nc(N2CCCC[C@@H]2C)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 20673027 YRYNZQVFEZLRBH-SBGWCXSDSA-N 361.489 4.622 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cc(Cl)ccc2oc1=O 21312538 VFXYZCVBOCAFOI-UHFFFAOYSA-N 367.710 4.718 0 40 FJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1Cc2ccccc2O1 21598866 FASHDMUNQVBLFT-IBGZPJMESA-N 372.449 4.906 0 40 FJAB Cc1c(NC(=O)CCC(C)C)cccc1C(=O)N1CCc2sccc2C1 26409307 VQBKJOWTFFMVPR-UHFFFAOYSA-N 370.518 4.630 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NCc2ccc(-c3ccc(F)cc3)o2)c1 28925064 YBMDYOSTJVESLP-AWEZNQCLSA-N 352.409 4.895 0 40 FJAB O=C(NCc1ccc(F)cc1)C1(Cc2nc3ccccc3s2)CCCC1 29601182 ZLBVEUUWZJCQJP-UHFFFAOYSA-N 368.477 4.855 0 40 FJAB Cc1nc(NC(=O)c2ccc(C(F)(F)F)nc2)sc1-c1ccccc1 29922760 IMLFKOVUSYCAQK-UHFFFAOYSA-N 363.364 4.785 0 40 FJAB COc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 30866085 IFHZJNNWFNVNQO-MYHKYFONSA-N 353.462 4.621 0 40 FJAB CCOc1ccc(OCC)c(NC(=O)C2(c3cccc(F)c3)CCC2)c1 32906880 ZXOUMGGUAWENQD-UHFFFAOYSA-N 357.425 4.684 0 40 FJAB c1ccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)cc1 33021886 IENGCHOGHBDTMJ-UHFFFAOYSA-N 352.444 4.547 0 40 FJAB O=c1c2scc(-c3ccc(F)cc3)c2ncn1Cc1cccc(Cl)c1 38486736 PYVOCOJDJGETJK-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB C[C@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1cccc(Cl)c1 40159805 VKCKUYWTJOMPOF-STQMWFEESA-N 373.909 4.888 0 40 FJAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41095292 UAAFSZQLAUDXOC-WCBMZHEXSA-N 356.702 4.504 0 40 FJAB Cc1ccc(CNc2ncc(-c3cccc(F)c3)c(-c3nccn3C)n2)cc1 57775460 DMKRAGYLYCUMIT-UHFFFAOYSA-N 373.435 4.604 0 40 FJAB CCOC(=O)c1ccc(Nc2ccnc3c(OC)ccc(Cl)c23)cc1 64874716 FTSVHKYIHJNPNQ-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 71760556 QULBDFMGTWBNPU-UHFFFAOYSA-N 360.454 4.900 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212027 OOWCLPBSMNNEOI-OAQYLSRUSA-N 358.441 4.638 0 40 FJAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1ccc(F)cc1F 72289004 BSPRDNLJAVAVII-GOSISDBHSA-N 362.420 4.578 0 40 FJAB COc1ccc([C@@H](NC(=O)N2CCC[C@H](C)CC2)c2ccc(F)cc2)cc1 84697645 VPUKAKQHTZVKON-KKSFZXQISA-N 370.468 4.755 0 40 FJAB CCC[C@]1(CCN(C(C)=O)[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96114945 HZKLIACZBGWAQX-RXVVDRJESA-N 353.547 4.558 0 40 FJAB biogenic Cc1cccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)c1 216867274 RWKJDVZFFSAVQX-IRXDYDNUSA-N 351.494 4.905 0 40 FJAB O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1ccccc1 222723948 AOCSYQDMVQBDEJ-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223246742 GFFPYOZJNPUUTB-UWJYYQICSA-N 351.490 4.827 0 40 FJAB Cc1ccc(CCC(=O)NCCSCc2cccc(Cl)c2)cc1C 224666479 WGEOANCFAMWQJU-UHFFFAOYSA-N 361.938 4.939 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225091655 DSTBNHWZYOSMEO-QGZVFWFLSA-N 353.245 4.993 0 40 FJAB Nc1c(-c2ccc(F)cc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225179671 YEDUXWXVQASFNR-UHFFFAOYSA-N 355.722 4.933 0 40 FJAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C)c(C)c1 225622108 ZFVYGLJCHJWJLZ-GOSISDBHSA-N 360.295 4.876 0 40 FJAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2cccnc12 225890373 JUSRLBXHTZNGKL-QVKFZJNVSA-N 356.466 4.557 0 40 FJAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5ccccc5c4)OCC[C@@]31C2 257342250 ZNTSZBZCSLPPHL-SWAMLEPWSA-N 363.501 4.858 0 40 FJAB COc1ccc(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)cc1 408526986 DAXRFTHPBDLHMU-UHFFFAOYSA-N 356.381 4.525 0 40 FJAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccccc1 408560447 CSHMRRAZVQCKHU-XDOYNYLZSA-N 354.450 4.679 0 40 FJAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 408586619 OFZVZKPVYUBWPY-UHFFFAOYSA-N 351.214 4.976 0 40 FJAB O=C(N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1)C1(F)CCC1 585105625 HXNNTRMHMVATIU-UHFFFAOYSA-N 353.437 4.645 0 40 FJAB C[C@H]1CC=C2C(=C(Nc3cccc(F)c3)C(=O)N2c2cccc(F)c2)C1 1424278 YNMQFDFDAJEDMS-ZDUSSCGKSA-N 352.384 4.991 0 40 FJAB COc1cccc2c1[C@]1(O)[C@H]2CCCCCCCCCC12OCCCO2 1634663 LDXHOTCDKPRQCD-PGRDOPGGSA-N 360.494 4.638 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1 2158336 DIYDYTVBJNQNCR-UHFFFAOYSA-N 357.475 4.875 0 40 FJAB CCCCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCC2 2331399 BBQHQLRCWYVCNZ-UHFFFAOYSA-N 352.507 4.671 0 40 FJAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1 2465873 INIMCWPGDGPOKV-JTQLQIEISA-N 350.821 4.870 0 40 FJAB O=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O 2699107 UZAZRGVFWFFECV-UHFFFAOYSA-N 373.839 4.934 0 40 FJAB CN(Cc1ccccc1)C(=O)CSc1nc(-c2ccc(F)cc2)cs1 3332660 XVGRPUDBVRSEJT-UHFFFAOYSA-N 372.490 4.700 0 40 FJAB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c2cccc(C)c2n1 4507259 DVPNTWIRTNWASE-UHFFFAOYSA-N 353.805 4.545 0 40 FJAB CC(C)COC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C(C)(C)C)cc1 4526203 UJWZKRFXXKSBCS-UYRXBGFRSA-N 369.461 4.547 0 40 FJAB CCSc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 4585780 SGPMBQBDTFUENI-UHFFFAOYSA-N 353.447 4.718 0 40 FJAB O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)c2ccc(Cl)cc21 4683122 ACEBIJONOSSIFL-FQEVSTJZSA-N 355.220 4.822 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)c2ccccc2CCc2ccccc2)c1 5697712 WPDHKVUPTZWVII-UHFFFAOYSA-N 373.496 4.897 0 40 FJAB Cc1cc(OC[C@H](O)CN[C@@H]2CCC[C@H](C)[C@@H]2C)c(C(C)C)cc1Cl 6052304 WBUQDBZWBIJYKV-UJAMICLKSA-N 367.961 4.926 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccs1)S[C@H](C)C(=O)N2 6679239 GAGIHUABFWDLNS-BZNIZROVSA-N 373.478 4.545 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccc(C)cc1 8550143 FYLMHSKHYOOJJI-UHFFFAOYSA-N 361.485 4.915 0 40 FJAB COc1ccc(OC)c(-c2csc(-c3cccc(OC)c3OC)n2)c1 8984789 OUYGOQRSTFJJSI-UHFFFAOYSA-N 357.431 4.512 0 40 FJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1Cl 9061528 AZDCUQJQHORBRX-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB COCCSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 9196584 BBOZWFRQZLQJNK-UHFFFAOYSA-N 356.274 4.984 0 40 FJAB COc1ccc2cc(CNC(=O)N(C)Cc3ccccc3Cl)ccc2c1 10495028 KAHSXKFYUGULCB-UHFFFAOYSA-N 368.864 4.843 0 40 FJAB C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 10557503 LNOYDVALACRVCZ-INIZCTEOSA-N 353.425 4.788 0 40 FJAB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)c2ccccc2)cc1Cl 10601106 YGEOZFHIOADGQG-ZDUSSCGKSA-N 357.866 4.593 0 40 FJAB Cc1nc(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)cs1 12407492 XPOOSKFJNHDSCC-UHFFFAOYSA-N 369.423 4.506 0 40 FJAB CN1c2ccccc2C(C)(C)[C@@]12CC(c1cccc(Br)c1)=NO2 12618213 YLWWYSMUUAEQBB-IBGZPJMESA-N 371.278 4.697 0 40 FJAB COc1ccc([C@@H](CNC(=O)c2ccoc2C)c2c[nH]c3ccccc23)cc1 12813438 OFWBACLVXSZTOE-HXUWFJFHSA-N 374.440 4.640 0 40 FJAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 12912689 QJAHTCPLQMIRJP-UHFFFAOYSA-N 368.820 4.554 0 40 FJAB FC(F)(F)c1cnc(Sc2nnc(C3CC3)n2C2CC2)c(Cl)c1 12999108 BWMVDYXIWDSDKI-UHFFFAOYSA-N 360.792 4.709 0 40 FJAB O=C(/C=C/c1cccc(Br)c1)c1ccc(O)c(CCCl)c1 13013627 WBWMNPIWYQPPQK-GQCTYLIASA-N 365.654 4.832 0 40 FJAB Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C 15544756 HUVZGRGLFKZGDR-UHFFFAOYSA-N 365.260 4.794 0 40 FJAB O=C(Nc1sc(-c2cccnc2)nc1-c1cccs1)c1ccco1 19861615 XFZXMMQFLMOUQX-UHFFFAOYSA-N 353.428 4.779 0 40 FJAB CCOc1ccccc1CNC(=O)c1cccc(OCc2ccccc2)c1 20042283 WCGBNQDQGZBXMZ-UHFFFAOYSA-N 361.441 4.594 0 40 FJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 22515852 VJOZYILYLDJOHQ-IIBYNOLFSA-N 351.490 4.945 0 40 FJAB CCOCc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 30180229 IJMPAFPFVMLDNF-UHFFFAOYSA-N 362.473 4.513 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1OCC 30852757 NSYJVUVNHYKQTF-GOSISDBHSA-N 369.505 4.554 0 40 FJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4oc(C)nc4c3)s2)o1 32804864 OUXRGEBYJKVTJP-UHFFFAOYSA-N 353.403 4.722 0 40 FJAB CCOC(=O)c1c(/C=C/c2sc(Cl)nc2Cl)cccc1OC 35973581 TUHWIELBAZYDPP-BQYQJAHWSA-N 358.246 4.806 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833462 WLSONQXVTOPOAU-SFHVURJKSA-N 356.897 4.808 0 40 FJAB C[C@H]1C[C@H](C)CN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 40143067 JGWVHGOGWVGHQC-UWVGGRQHSA-N 369.690 4.702 0 40 FJAB CC[C@@H](C)[C@H](NC(=O)CSc1ccccc1C)c1nc2ccccc2[nH]1 40146176 MAPJHDPXQXFZKP-VLIAUNLRSA-N 367.518 4.867 0 40 FJAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 44936809 KBUVOIIFULJJIK-QHCPKHFHSA-N 364.533 4.802 0 40 FJAB O=C(NCc1ccncc1)c1cccnc1Oc1ccc(Cl)cc1Cl 65504133 XJIDUOSWBWWSGR-UHFFFAOYSA-N 374.227 4.506 0 40 FJAB O=C(Oc1cccc(NC(=O)C2CC2)c1)c1cc2c(s1)CCCCC2 71804994 DVLZUDGNFLZHTG-UHFFFAOYSA-N 355.459 4.585 0 40 FJAB Cc1ccc(CC(Cc2ccc(C)cc2)N(C)C(=O)c2cccnc2)cc1 72295408 BORMHEVRFADKDI-UHFFFAOYSA-N 358.485 4.624 0 40 FJAB Cc1cc(O)c(-c2cc(C(=O)Nc3cccc4ccccc34)[nH]n2)cc1C 72427470 UPEHAXODCDEMJK-UHFFFAOYSA-N 357.413 4.805 0 40 FJAB Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c(C)c1 89614080 PUBNTIBMUDIPMP-GOSISDBHSA-N 362.477 4.658 0 40 FJAB C[C@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1 89904628 FWGDKNXPLGEOIE-JTSKRJEESA-N 360.457 4.504 0 40 FJAB C[C@@]1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCc2ccccc21 95953324 DTUJSRLJURSYGK-HXUWFJFHSA-N 353.853 4.731 0 40 FJAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1C 102611197 HHCOFGUPYPPBJL-NYSBEXSLSA-N 361.441 4.797 0 40 FJAB O=C1/C(=C/Nc2ccccc2)c2ccccc2C(=O)N1c1ccccc1Cl 103005247 LKFBDYPHRWJPGE-NBVRZTHBSA-N 374.827 4.980 0 40 FJAB CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 106681120 GKOKECUZGXKUOR-UNOMPAQXSA-N 362.454 4.898 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1C)c1ccc(OC)cc1 113970430 NAVMBGHBPWYAJD-VQTJNVASSA-N 355.478 4.737 0 40 FJAB Cc1ccnc(-c2ccc(NC(=O)c3cc4ccc(F)cc4nc3C)cc2)n1 115130345 PXZQUKBXBTYTEM-UHFFFAOYSA-N 372.403 4.700 0 40 FJAB CC1(C)CN(C(=O)c2cnc(-c3ccccn3)s2)c2ccccc2S1 120604085 KMDQHGYABPDHDN-UHFFFAOYSA-N 367.499 4.736 0 40 FJAB CCc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 218832350 WBGQJBMURUWXIR-UHFFFAOYSA-N 362.267 4.646 0 40 FJAB CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(OC)cc1 222799661 DCZGNNYROMGFLE-IBGZPJMESA-N 355.478 4.639 0 40 FJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 222884312 PUCYKLJZGUJFIK-WOJBJXKFSA-N 368.550 4.771 0 40 FJAB CC(C)c1ccccc1OCC(=O)NCCOc1ccc2ccccc2c1 223639124 ISCZWUNLBDETQH-UHFFFAOYSA-N 363.457 4.537 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224121262 GIDYPOXQEHSVFZ-HNNXBMFYSA-N 363.910 4.633 0 40 FJAB COc1cc(CNC(=S)Nc2ccc(Cl)cc2)ccc1OC(C)C 225530314 WNKFVTLYPUIYQB-UHFFFAOYSA-N 364.898 4.622 0 40 FJAB CC(C)Oc1cccc(CCCNC(=S)Nc2c(F)cccc2F)c1 225565515 WQVWEBNHXDMVTG-UHFFFAOYSA-N 364.461 4.671 0 40 FJAB CC(C)C[C@@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)n1cccc1 575443491 MLVMOQASEIXQLT-UXHICEINSA-N 367.468 4.890 0 40 FJAB c1ccc(-c2cnc(Nc3cccc(CC[C@@H]4CCCN4)n3)s2)cc1 585263256 SMFJUIRNIKRYDK-INIZCTEOSA-N 350.491 4.633 0 40 FJAB O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1cscc1Cl 1641843739 KHTUJRHGZNCUTF-UHFFFAOYSA-N 354.822 4.592 0 40 FJAB O=C(NCCc1ccc(-c2cccs2)s1)Nc1ccc2c(c1)OCO2 1889283832 FDVQQNFQRWYGQD-UHFFFAOYSA-N 372.471 4.570 0 40 FJAB CC(C)OC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2 687038 KCXFAOYJBVMHSE-UHFFFAOYSA-N 361.438 4.584 0 40 FJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc(F)cc4)c23)C1 881303 QDYSXDKOSCWPIP-LLVKDONJSA-N 372.490 4.930 0 40 FJAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 2629614 POZKVGWCJKUOGG-CQSZACIVSA-N 354.500 4.780 0 40 FJAB CC(C)(C)c1ccc(N2C(=O)CC(c3nc4ccccc4s3)=C2N)cc1 3230472 UETUQUCBIQRTLD-UHFFFAOYSA-N 363.486 4.658 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1 3318670 CXCGMZZDJUWBDR-HNNXBMFYSA-N 362.429 4.544 0 40 FJAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNc2cccc(C)c2C)CCCC1 3648914 CDBSMPMPDUCVCG-LJQANCHMSA-N 362.517 4.918 0 40 FJAB Cc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@H](C)[C@H](C)C3)sc2c1 4686042 MGGCOHQHXRYZCS-RRFJBIMHSA-N 374.506 4.691 0 40 FJAB Cc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 5464047 CQGRIWRMCJNQJD-UHFFFAOYSA-N 350.281 4.629 0 40 FJAB COc1cc(/C=C/c2nc3ccccc3s2)cc(Br)c1O 6639606 WLQRHUNVFDQJQK-VOTSOKGWSA-N 362.248 4.943 0 40 FJAB Cc1ccc(CSCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 7504713 ALPRLIMWQSXSSL-UHFFFAOYSA-N 368.546 4.649 0 40 FJAB CCc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 7922447 RUZQERPLUCOIOL-OAHLLOKOSA-N 367.518 4.799 0 40 FJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC[C@H]2CCCC[C@H]21 8395577 DSFQEXXNYRHAOA-QZTJIDSGSA-N 371.912 4.688 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1 8714784 GERSJHZYZNJXQA-OAHLLOKOSA-N 370.404 4.635 0 40 FJAB CCCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 11692459 IRRDZVRPQYGKLC-SFHVURJKSA-N 361.489 4.974 0 40 FJAB CSc1ccc(Cl)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 12774138 GOSDAHKQWNLSLG-UHFFFAOYSA-N 374.937 4.588 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cnc(-c3ccccc3)nc2)c1 17524340 JVNKUNZRTHIHLA-UHFFFAOYSA-N 361.445 4.593 0 40 FJAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 18109264 UUVDPDXJVWAPJC-INIZCTEOSA-N 359.425 4.616 0 40 FJAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(C)c(C)c2)on1 19213979 AQTQGYKRWNJDIH-LJQANCHMSA-N 350.466 4.717 0 40 FJAB CC[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(C)cc1 21435198 UTBPFPJBYQSWGI-IBGZPJMESA-N 366.436 4.989 0 40 FJAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCC 22074656 VRMJMYPTULJIPV-UHFFFAOYSA-N 351.849 4.609 0 40 FJAB O=C(CCN(Cc1ccco1)Cc1ccco1)Nc1cccc(Cl)c1 22199736 RWYLSLPCVQBPMW-UHFFFAOYSA-N 358.825 4.557 0 40 FJAB COC(=O)C(C)(C)[C@H]1c2ccccc2-c2ccccc2N1C(=O)C(C)C 38337885 LGRKVQHBAVAQII-LJQANCHMSA-N 351.446 4.597 0 40 FJAB Cc1cc(F)ccc1NC(=O)N(C)Cc1ccc(Br)s1 40103539 OTPFIZMZFIEPCW-UHFFFAOYSA-N 357.248 4.622 0 40 FJAB CCn1cc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cn1 40139261 PYODVECIAFVBSE-UHFFFAOYSA-N 355.854 4.972 0 40 FJAB CCc1ccc(CN(C)[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)cc1 57364839 FWNSSTOKPHTTHU-CYBMUJFWSA-N 354.523 4.646 0 40 FJAB Cn1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c2ccccc21 58490939 PKKCATMUGMQEEU-UHFFFAOYSA-N 363.848 4.512 0 40 FJAB biogenic O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@H]1COc2ccccc21 58634344 NPVCPPSILMJYBH-IBGZPJMESA-N 364.376 4.873 0 40 FJAB COc1ccccc1C[C@@H]1CCCN1Cc1cc(Cl)nc(Cl)c1 70016988 ZSIIOLCRFLSNJD-HNNXBMFYSA-N 351.277 4.604 0 40 FJAB CC(C)Sc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1 75616499 XICXNPRNPVLZFP-UHFFFAOYSA-N 369.530 4.665 0 40 FJAB CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 102075838 NEYPTZLZXOPDNO-RTBURBONSA-N 367.832 4.978 0 40 FJAB CCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 108112016 ISGKNTNSTNWTNP-LLVKDONJSA-N 365.260 4.833 0 40 FJAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCCc3ccccc32)cc1 138281385 WNTYLPICWGWICT-QIJUGHKUSA-N 360.501 4.558 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(F)cc1 219327146 WMCJFCVWESMHAG-FQEVSTJZSA-N 373.468 4.521 0 40 FJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224190644 OOHHEBGOILKGBK-MSOLQXFVSA-N 351.500 4.629 0 40 FJAB Cc1ccc(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 224537079 FJEUFUSBMMEYQS-UHFFFAOYSA-N 364.533 4.538 0 40 FJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCOc1ccccc1Cl 224980479 PLKLQOAUABCRPW-UHFFFAOYSA-N 365.860 4.745 0 40 FJAB CC(C)C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 225362962 FZWNUGJQEYBRLT-JOCHJYFZSA-N 351.490 4.848 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Cl)c(Cl)c1 227145302 DAOBNVLYUMAGAG-UHFFFAOYSA-N 353.249 4.518 0 40 FJAB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)C(C)C)c3)nc2c1 408620470 JEKIRQXZCFRDCN-UHFFFAOYSA-N 367.474 4.581 0 40 FJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(OC)cc1 408626950 JPYJZRBTLQJVAO-ATGUSINASA-N 368.502 4.735 0 40 FJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 408908201 VFHFWWKOMBQGSN-UHFFFAOYSA-N 358.265 4.796 0 40 FJAB CCn1ncc(NC(=O)N[C@@H]2CCCC23CCCCC3)c1C(F)(F)F 667005413 SKXNWRKSHPRXPV-CYBMUJFWSA-N 358.408 4.546 0 40 FJAB Cc1nc(Oc2ccccc2OC(F)F)c2cnn(-c3ccccc3)c2n1 729986643 PEAMRLLHAMWUQA-UHFFFAOYSA-N 368.343 4.518 0 40 FJAB C[C@H](c1ccccc1)[C@H](O)CN1CCC(c2ccnc3ccccc23)CC1 1645732883 OUHZAGFWWHYYQG-HOYKHHGWSA-N 360.501 4.579 0 40 FJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1cccc(Cl)c1 1775966763 XXLAFBLRZSKJOH-GOSISDBHSA-N 357.862 4.532 0 40 FJAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1C 1775978035 MSQUNZNTJVHUJR-LJQANCHMSA-N 366.486 4.887 0 40 FJAB O=c1c2c(nc(SCC3CCCCC3)n1-c1ccc(F)cc1)CCCC2 2087076292 DTFNWHROUCZSEP-UHFFFAOYSA-N 372.509 4.923 0 40 FJAB CCOC(=O)/C=C(\C)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 755039 WXYFOTMVSWRZFZ-MLFXKNMZSA-N 358.438 4.505 0 40 FJAB Cc1nc(SCC(=O)c2c(C)[nH]c3ccccc23)c2ccsc2n1 944672 SFRAOWQKTVMKOO-UHFFFAOYSA-N 353.472 4.764 0 40 FJAB O=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 1410696 LWFXTMATSLGNQU-UHFFFAOYSA-N 370.040 4.603 0 40 FJAB COc1ccc(C(=O)Nc2ccc([C@]3(C)CC3(Cl)Cl)cc2)cc1 1442231 IWZPLMVEHHLADP-KRWDZBQOSA-N 350.245 4.783 0 40 FJAB CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OC 2215731 IRASSIFWXOHSOS-UHFFFAOYSA-N 358.869 4.561 0 40 FJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c1 2723021 RFDVAEKHDLSBNC-UHFFFAOYSA-N 351.475 4.528 0 40 FJAB CCC(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3449842 WGWJFJGIKGTNGQ-UHFFFAOYSA-N 373.452 4.564 0 40 FJAB Cc1ccc(C(=O)NCCn2c3ccccc3c3c(C)cc(C)nc32)cc1 5274361 RJBJXTJLHPCTAB-UHFFFAOYSA-N 357.457 4.545 0 40 FJAB Cc1[nH]c2ccc(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)cc2c1C 6664040 SSCCUDBBYWDOBE-HXUWFJFHSA-N 360.461 4.788 0 40 FJAB COc1ccc(C(=O)Nc2c(-c3cccs3)nc3cc(C)ccn23)cc1 6971126 BWQYCYGPNWXEKR-UHFFFAOYSA-N 363.442 4.632 0 40 FJAB O=C(CSc1nnc(NC2CC2)s1)c1ccc(-c2ccccc2)cc1 7577400 KMTXNUPPZGGMJO-UHFFFAOYSA-N 367.499 4.754 0 40 FJAB CSc1ccccc1NC(=O)CN(C)Cc1cccc2ccccc12 8036494 SNEQVOUZAUUSLD-UHFFFAOYSA-N 350.487 4.632 0 40 FJAB O=C(CCCOc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 8341135 LVECJSJYRIKTLM-SFHVURJKSA-N 366.486 4.819 0 40 FJAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccccc2Cl)CC1 9063192 STZFMTIXSLNMMF-UHFFFAOYSA-N 363.288 4.844 0 40 FJAB CCc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c1 9315774 OKBDGNWTJZKMDO-UHFFFAOYSA-N 366.490 4.507 0 40 FJAB Clc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 10213685 CRJHWUIYSNQZJM-UHFFFAOYSA-N 366.856 4.612 0 40 FJAB Cc1ccc(-n2ncc3c(N[C@@H](C)c4ccccc4)ncnc32)cc1Cl 10386283 STASWFFNNXUULG-AWEZNQCLSA-N 363.852 4.950 0 40 FJAB N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc3ccccc23)o1 11903981 FDKIFPYDXOTSKY-IBGZPJMESA-N 361.470 4.758 0 40 FJAB CC1(C)[C@@H](C(=O)Nc2ccnn2Cc2cccs2)[C@@H]1C=C(Cl)Cl 12322396 JLYKJVQFEHMUHM-SMDDNHRTSA-N 370.305 4.523 0 40 FJAB CCCc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1 12699999 ULFIUQQPGBMGAL-UHFFFAOYSA-N 362.458 4.891 0 40 FJAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1 12970981 CETBJXQLZJXBDM-GYHWCHFESA-N 373.481 4.901 0 40 FJAB CC(C)n1ncc2cc(NC(=O)CCc3ccc(-c4ccccc4)o3)cnc21 12998142 DGDYKOUNRCYQOT-UHFFFAOYSA-N 374.444 4.844 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2occc2C)c2ccccc2)c1 14165759 DTSADNZTEQIUSB-FQEVSTJZSA-N 363.413 4.742 0 40 FJAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H]3CCOc4ccccc43)ccc2c1 14198532 JAKOUDPFAGQQSP-QVKFZJNVSA-N 361.441 4.592 0 40 FJAB C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)c1ccc(F)c(F)c1 14675992 XPSBYXLGEURCLA-MNOVXSKESA-N 364.413 4.579 0 40 FJAB Cc1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 15838599 ANCYWBGRJZQLRU-UHFFFAOYSA-N 356.219 4.686 0 40 FJAB COc1cc(C)c(CN[C@@H](Cc2ccsc2)c2nccs2)cc1C 19567404 ADRANSXSDSXIRP-KRWDZBQOSA-N 358.532 4.904 0 40 FJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(Br)c1 20029721 FGIRWBBAEQIULK-JTQLQIEISA-N 372.184 4.959 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Br)cc1 20037814 SKRSNFLHDUMGBZ-MRXNPFEDSA-N 362.267 4.862 0 40 FJAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(Cl)cc1Cl 20462252 WIUNWYSTMPVYAT-MRXNPFEDSA-N 352.261 4.776 0 40 FJAB CN(C)CCN(Cc1cccs1)Cc1ccnc2ccc(Cl)cc12 23247873 BYDGPKMTSSXMKF-UHFFFAOYSA-N 359.926 4.514 0 40 FJAB COc1cc(F)ccc1NC(=O)c1cc(Br)ccc1Cl 25309891 SFWWVOUSCOQSAF-UHFFFAOYSA-N 358.594 4.503 0 40 FJAB CC(=O)c1c(C)cc(C)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1C 29538715 WYBSBMYSZCOMOA-OAQYLSRUSA-N 355.453 4.527 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2c(c1)CCO2 31375187 GNPLXTBALTUFHP-UHFFFAOYSA-N 372.783 4.630 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCC3)c(OC)c1 32820735 GBGBPNJNISESKB-QGZVFWFLSA-N 371.502 4.621 0 40 FJAB C[C@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccc(F)cc1F 32869160 OBLUFIUXVCHMSV-NSHDSACASA-N 373.321 4.535 0 40 FJAB CC1CCN([C@@H](CNC(=O)C(C)(C)c2ccccc2)c2cccs2)CC1 32903735 QGLOGOJAZYHZFN-IBGZPJMESA-N 370.562 4.615 0 40 FJAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(Cl)cc2Cl)C1 40287881 AAFQLRQJUZIHCU-ZDUSSCGKSA-N 359.216 4.698 0 40 FJAB CCCCCOc1ccc([C@H](C)NC(=O)c2scnc2C)cc1OC 48517544 KXAPCWMWWNDUJQ-ZDUSSCGKSA-N 362.495 4.520 0 40 FJAB Fc1cccc(Oc2ncccc2CNc2ncnc3ccsc23)c1 52075136 MGFSRDPFXSXYIA-UHFFFAOYSA-N 352.394 4.630 0 40 FJAB Cc1oc2ccccc2c1CN(CCCOC(C)C)Cc1ccncc1 57797126 PJUQHTQPAZKBPL-UHFFFAOYSA-N 352.478 4.954 0 40 FJAB Clc1ccccc1CN(Cc1ccccc1Cl)CC1CCNCC1 72203327 AWCYZCAEUQVFBJ-UHFFFAOYSA-N 363.332 4.995 0 40 FJAB COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccsc3)=NN21 72314739 FNLUEFFLEHDPQB-GHTZIAJQSA-N 362.454 4.999 0 40 FJAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1 95942254 IHAVRAGXFALCRL-VQIMIIECSA-N 370.497 4.868 0 40 FJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](C2CCCCC2)S1 96117812 DIRCOVAOEBNQQC-GDBMZVCRSA-N 363.527 4.725 0 40 FJAB COC(=O)CN1C(c2ccccc2)=Nc2ccccc2[C@H]1c1ccc(C)cc1 97165866 QWCCDSBCJMQFEO-HSZRJFAPSA-N 370.452 4.651 0 40 FJAB C=Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210827 BIUYCSVWVVTTGW-VIFPVBQESA-N 365.067 4.896 0 40 FJAB O=C(Nc1cccc(-c2nc(-c3ccc(F)c(F)c3)no2)c1)c1ccco1 109536635 CNYYNPNHHCRDPP-UHFFFAOYSA-N 367.311 4.527 0 40 FJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1 113970191 JTXYTIFCVYYORN-RTWAWAEBSA-N 355.478 4.683 0 40 FJAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(OC(C)C)cc2)cc1 218984537 VUOHPRLOCOZJHO-UHFFFAOYSA-N 355.478 4.624 0 40 FJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)S1 222602904 KTRZODFBJTXRRP-JVPBZIDWSA-N 352.507 4.588 0 40 FJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(Br)c1 222944726 PMIKOEXFBMLHCU-INIZCTEOSA-N 362.267 4.862 0 40 FJAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 225804346 ZSYMANZCZAIEQB-LJQANCHMSA-N 364.533 4.647 0 40 FJAB O=C(CSCc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 575414874 MPKJRDBDXXGNBN-SFHVURJKSA-N 359.541 4.949 0 40 FJAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1O 1558903545 IQOKKWCSIMRFTQ-CYBMUJFWSA-N 359.491 4.866 0 40 FJAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)ccc12 759296 IHELXFDRPIUIAY-UHFFFAOYSA-N 351.456 4.859 0 40 FJAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCCCC4)cc3)sc2c1 1083930 WLTVDXSTQJUYER-UHFFFAOYSA-N 365.502 4.696 0 40 FJAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC 1774145 AVPHFXXSLSNSBK-CSKARUKUSA-N 360.479 4.763 0 40 FJAB biogenic C[C@H]1Cc2ccc(/C=C/[C@]34N=C(O)CCN3c3ccccc3C4(C)C)cc2O1 2109927 CGHSSTWUDYQZCM-UDKBFLMXSA-N 374.484 4.878 0 40 FJAB biogenic CN(C)CC[C@@H](OC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 2263545 QQQXFWAXWQGHDM-OAQYLSRUSA-N 351.490 4.735 0 40 FJAB COc1cccc(N(C(=O)c2ccco2)c2nc3ccccc3s2)c1 2653735 ZTWHUDPKXCXLLV-UHFFFAOYSA-N 350.399 4.876 0 40 FJAB CCOc1ccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)cc1 2694674 SPQACFIDXRAQQN-UHFFFAOYSA-N 368.410 4.752 0 40 FJAB COc1ccccc1-c1cc(C(=O)Nc2nccs2)c2ccccc2n1 2763177 MPTXUFBCJAJQPB-UHFFFAOYSA-N 361.426 4.619 0 40 FJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2ccccc2)o1 3242563 UVGVXILLFZICQA-UHFFFAOYSA-N 369.424 4.897 0 40 FJAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](CCC)C2 4144750 OGRDPAHAUWELFK-KGLIPLIRSA-N 364.555 4.907 0 40 FJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 4599984 SKRXQYLSZOSZPY-UHFFFAOYSA-N 364.917 4.698 0 40 FJAB CC(C)=CC(=O)O[C@@H](CCCc1ccccc1)c1ccc2c(c1)OCO2 5601425 CQLCQJABDJIAOD-IBGZPJMESA-N 352.430 4.989 0 40 FJAB O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccccc1Cl 6217807 GZMDRXNDSDDNCP-UHFFFAOYSA-N 365.816 4.935 0 40 FJAB CCc1ccc(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6356187 ZLBZLYSTWWWTKQ-UHFFFAOYSA-N 358.437 4.885 0 40 FJAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccccc32)cc1 6600853 ZEAAFBXNYVLLNF-UHFFFAOYSA-N 355.441 4.828 0 40 FJAB O=c1c2ccccc2nc(-c2ccccc2F)n1Cc1ccccc1Cl 6720521 DDYCDKFATSPYGM-UHFFFAOYSA-N 364.807 4.904 0 40 FJAB Cc1ccc(NC(=S)Nc2ccc(Nc3ccc(Cl)nn3)cc2)cc1 6966298 KKUVIDHTYKFBER-UHFFFAOYSA-N 369.881 4.991 0 40 FJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 7073134 HKJWJBMLDNSZAZ-CYBMUJFWSA-N 362.267 4.980 0 40 FJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccccc2)cc1 7738590 VLJFXBFXEQUTCY-UHFFFAOYSA-N 371.440 4.562 0 40 FJAB CC(=O)Oc1ccc(-c2ccc(C(=O)NCC3CCCCC3)cc2)cc1 7989455 XBBIADHZSNGQOQ-UHFFFAOYSA-N 351.446 4.589 0 40 FJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1Cl 8041659 RAJJVWTZNIZGBR-ZDUSSCGKSA-N 354.233 4.798 0 40 FJAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C 8050425 FHLAIEUVXOPXBX-UHFFFAOYSA-N 374.289 4.926 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 8478622 FLMYVHWOKATQSZ-QGZVFWFLSA-N 369.461 4.666 0 40 FJAB CCC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1Cl 9184335 IRWZSRMPVLOUCU-UHFFFAOYSA-N 367.232 4.603 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1Cl 10286378 RKAGIXPGIKIXIH-UHFFFAOYSA-N 351.258 4.875 0 40 FJAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1 12062674 QUWIHUHXTANMDS-UHFFFAOYSA-N 371.824 4.821 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 12632778 MXEWFJCJZNSAPB-XMMPIXPASA-N 374.484 4.798 0 40 FJAB Cc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 12755709 HVCNTRFTORHZLA-ZWKOTPCHSA-N 362.498 4.971 0 40 FJAB CSc1ccc(CN(C)C(=O)Cc2csc(-c3cccs3)n2)cc1 12793900 NJVKPHPIQYQNGU-UHFFFAOYSA-N 374.556 4.795 0 40 FJAB O=C(C[C@H]1C=CCC1)Nc1ccnn1Cc1ccc(Cl)cc1Cl 12814735 YBLVODGOKXFCHC-LBPRGKRZSA-N 350.249 4.533 0 40 FJAB Cc1ccc(-c2c(C(=O)N(C)C)c(C)nc3sc4c(c23)CCC4)cc1 12945652 VCXUWCOYHLALFW-UHFFFAOYSA-N 350.487 4.771 0 40 FJAB COc1ccc(COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1F 14021028 VRBWMGYLFBVYHM-UHFFFAOYSA-N 350.389 4.787 0 40 FJAB CC[C@H](C)NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 14857264 WXNGACUUPOEMEF-LBPRGKRZSA-N 370.522 4.886 0 40 FJAB CSc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 21053228 DGSHAELXEYNJAD-UHFFFAOYSA-N 357.866 4.808 0 40 FJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2cccnc12 28293310 JOMPWEDZBPRKMH-ZDUSSCGKSA-N 370.836 4.611 0 40 FJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 28715260 BQEXVFJRAZPJHF-UHFFFAOYSA-N 369.446 4.539 0 40 FJAB CN(C(=O)Cc1csc(-c2ccsc2)n1)[C@H]1CCCc2ccccc21 32747478 PFZLLOIWWJJXSN-SFHVURJKSA-N 368.527 4.950 0 40 FJAB CCc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)sc1C 32820724 NFJRPDJYWYFMBD-KRWDZBQOSA-N 359.491 4.613 0 40 FJAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCCC2=CCCCC2)CC1=O 32958766 FITNPPFIGDHMPA-HKUYNNGSSA-N 368.521 4.560 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 33795579 KGOAUNWKFKXMJG-UHFFFAOYSA-N 358.869 4.981 0 40 FJAB Cc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 36616690 MXFDLQCMCXPADO-UHFFFAOYSA-N 374.419 4.737 0 40 FJAB Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1Cc1ccccc1 36639492 KQODZIQEDKMSHH-UHFFFAOYSA-N 372.877 4.713 0 40 FJAB O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](c2ccccc2)C1 38567291 FTVNHELUXOAQJR-CYBMUJFWSA-N 364.670 4.732 0 40 FJAB CC(C)N1COc2c(Cl)cc3c(-c4ccccc4)cc(=O)oc3c2C1 57143220 MCBCNBIMPIKFRB-UHFFFAOYSA-N 355.821 4.674 0 40 FJAB CCN(CC)Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695368 BWWADZCOWGKDOE-UHFFFAOYSA-N 351.416 4.675 0 40 FJAB COc1ccc(-c2csc3nc(C)nc(N(C)CC4CC4)c23)cc1OC 95356841 RTDMDBHDPKPNSZ-UHFFFAOYSA-N 369.490 4.530 0 40 FJAB Cc1cc(Br)ccc1C(=O)c1ccccc1OC(F)(F)F 95917433 MCPGNMPDNXNNHF-UHFFFAOYSA-N 359.141 4.887 0 40 FJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 113955134 LMFMOFQNXYNQON-RBUKOAKNSA-N 361.869 4.774 0 40 FJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Cl 223245807 WELNNBRDERGTAO-CABCVRRESA-N 357.881 4.782 0 40 FJAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224844524 MEWMKSBALHSSML-UHFFFAOYSA-N 364.445 4.792 0 40 FJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)(C)C)o2)cc1 224906196 ACLWIVJSLYUGNO-UHFFFAOYSA-N 350.418 4.546 0 40 FJAB CCc1ccc(CC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1 225402927 RXGZHSBGDIRHAS-HXUWFJFHSA-N 351.490 4.990 0 40 FJAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225446697 QUSYCFFVMJHDOA-UHFFFAOYSA-N 368.424 4.979 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(O[C@@H]2CCSC2)nc1 225713936 MDLJWBDTTCHGFB-LLVKDONJSA-N 369.273 4.525 0 40 FJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 225793751 PEHBNSSKYIGTTN-UHFFFAOYSA-N 372.255 4.935 0 40 FJAB O=C(CC1CCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257323774 WLUHJLPIIIIXJF-IBGZPJMESA-N 356.441 4.648 0 40 FJAB COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1O 408610251 ONLBTFKTEVVCGR-UHFFFAOYSA-N 356.647 4.737 0 40 FJAB O=C(/C=C/c1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 409027961 VTPGTHZQUOXPJZ-XCVCLJGOSA-N 352.286 4.915 0 40 FJAB Cn1cc2c(n1)CCC[C@H]2NCc1ccc(Oc2cccc(F)c2)cc1 509946331 WQLQOXXECWSLGO-HXUWFJFHSA-N 351.425 4.519 0 40 FJAB O=C(Nc1ccc(Br)cc1F)c1cccc(Br)c1 834086 PPUFXSAQGQRAQB-UHFFFAOYSA-N 373.019 4.603 0 40 FJAB Cc1cccc2nc(CSc3nc4ccccc4[nH]3)c(Br)n12 1246503 BHBKRASFTSKRFQ-UHFFFAOYSA-N 373.279 4.574 0 40 FJAB Fc1ccc(-n2ncc3c(SCCCc4ccccc4)ncnc32)cc1 1891264 QVJPKQWYODPTFQ-UHFFFAOYSA-N 364.449 4.680 0 40 FJAB CC(C)(C)OC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 2658592 RCJQYSYSIBUGPB-UHFFFAOYSA-N 374.940 4.750 0 40 FJAB Clc1ccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)cc1 2688956 SKTNRULOCNELRE-UHFFFAOYSA-N 363.852 4.588 0 40 FJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Br)o1 3274750 RXVDCVPHQAHIRW-UHFFFAOYSA-N 364.220 4.523 0 40 FJAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc(Cl)ccc1Cl 4275914 LYMWWMGFFGTVBU-UHFFFAOYSA-N 368.607 4.949 0 40 FJAB C[C@H](NC(=O)c1cccs1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998171 WOJQZMATZYEUDE-LBPRGKRZSA-N 355.463 4.587 0 40 FJAB CCc1nc2sc(C(=O)c3ccc(F)cc3)c(N)c2c2c1CCCC2 5333634 LWOBTJZAPDKMSA-UHFFFAOYSA-N 354.450 4.690 0 40 FJAB CC1(C)C[C@@H]([C@@H](CCNC(=O)c2ccccc2)c2ccc(F)cc2)CCO1 5348770 BLNFIKNPESXSCN-FPOVZHCZSA-N 369.480 4.935 0 40 FJAB CCOC(=O)c1c(NC(=S)NC(C)C)sc(C)c1-c1ccccc1 6955624 JNAODDIGUUASKR-UHFFFAOYSA-N 362.520 4.595 0 40 FJAB O=C(/C=C/c1nc2ccccc2s1)OCc1ncc(-c2ccccc2)o1 7735932 DWSAHULKHACMNC-ZHACJKMWSA-N 362.410 4.708 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 7814886 DCWSMVBUNDZRGC-UHFFFAOYSA-N 354.431 4.506 0 40 FJAB O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 8102806 VERSVTAQWWTGBD-LBPRGKRZSA-N 358.413 4.594 0 40 FJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 8273566 MJLUVSTWCKBIFD-UHFFFAOYSA-N 359.429 4.626 0 40 FJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccco1 10971599 MJLXFWRAAUFRQS-UHFFFAOYSA-N 352.337 4.598 0 40 FJAB Cc1ccc(OCCSc2nnc3cc(C)c4cccc(C)c4n23)cc1 11903145 BLJJVKJNAPFGDP-UHFFFAOYSA-N 363.486 4.979 0 40 FJAB O=C(c1cccc2ncccc12)N(Cc1ccc2c(c1)OCO2)C1CCCC1 12522630 ZERXSIXTWNCWAI-UHFFFAOYSA-N 374.440 4.549 0 40 FJAB Cc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c(C)o1 12628270 BHXUPGWDFYHSTN-UHFFFAOYSA-N 355.394 4.664 0 40 FJAB CSCc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 12926051 ZAXAFAWKFNZRMR-UHFFFAOYSA-N 351.471 4.512 0 40 FJAB COc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 23011058 VGJKVQMTIGIOMV-UHFFFAOYSA-N 361.401 4.592 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCCCC2)cc1 27581798 RFUUQFMIJHBOOB-HXUWFJFHSA-N 356.897 4.605 0 40 FJAB CCCCc1noc([C@H](C)N2CCC(c3nc4ccccc4s3)CC2)n1 27770534 HFXFFDGJWRWYOQ-AWEZNQCLSA-N 370.522 4.963 0 40 FJAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCc3ccccc32)cc1 30859936 SYXOQVLVIBJKTF-UHFFFAOYSA-N 356.469 4.522 0 40 FJAB Cc1oc(-c2ccccc2)nc1CSCC(=O)N[C@@H]1CCCC[C@@H]1C 32779188 QCQYGFOPRVUZKS-WMLDXEAASA-N 358.507 4.578 0 40 FJAB Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C)o1 35589998 HOADNZHXCSVBII-UHFFFAOYSA-N 352.177 4.506 0 40 FJAB Cc1noc(C)c1CSCC(=O)N[C@H](C)c1ccc2ccccc2c1 36770116 QUPVFHLDDSMSOC-CYBMUJFWSA-N 354.475 4.555 0 40 FJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C)cc2)c1 40096389 YZQMBNKAQSVMEB-AWEZNQCLSA-N 353.466 4.825 0 40 FJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1OC 46086551 NKMYDOJZULOATF-UHFFFAOYSA-N 372.808 4.573 0 40 FJAB CC(=O)Nc1cc(NC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1C 48364479 WMIZIFDYGASUDX-CYBMUJFWSA-N 351.406 4.582 0 40 FJAB Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1N 57340396 LMQQKOIAUCNACZ-UHFFFAOYSA-N 355.235 4.745 0 40 FJAB Cc1nc(NC[C@H]2CCN(C(C)C)C2)c2c(-c3cccs3)csc2n1 58183241 XQOFBOMYPJCWMF-CQSZACIVSA-N 372.563 4.870 0 40 FJAB Cc1ccc(F)cc1NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 71761589 SLNOEQYBWXYEML-UHFFFAOYSA-N 369.421 4.788 0 40 FJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1NC1CCC1 72213929 OAZQVJPVZXPQRG-FQEVSTJZSA-N 365.477 4.910 0 40 FJAB COc1cc(OC)c2ccc(=O)oc2c1OC/C=C(\C)CCC=C(C)C 87493099 UFGXRHHXLABPNI-RVDMUPIBSA-N 358.434 4.882 0 40 FJAB biogenic COc1ccc([C@H]2CCCCN(C(=O)Cc3ccccc3Cl)C2)cc1 208003866 JFRYZLSKWNZLMX-SFHVURJKSA-N 357.881 4.687 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)c1 216866977 UGDWBJPHNRRQPD-HOTGVXAUSA-N 351.494 4.620 0 40 FJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219068917 GQZIKNGMTZOZER-IBGZPJMESA-N 369.505 4.607 0 40 FJAB CC(C)(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 224805808 COHSKJMOOTZHRX-UHFFFAOYSA-N 364.533 4.900 0 40 FJAB CCOc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225306789 FMLGQGKIQGBXCH-UHFFFAOYSA-N 355.290 4.879 0 40 FJAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Cl)c(Cl)c1 225530124 QLBKDXFOVWVYEA-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225760842 GBKVGMALSYTIGA-IBGZPJMESA-N 370.518 4.774 0 40 FJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccccc1F 225827995 WDAOTGANOUVCRU-UHFFFAOYSA-N 361.376 4.600 0 40 FJAB COCCOc1ccc(NC(=O)C2(C)CCCCC2)cc1C(F)(F)F 225954976 DWJIWJICXOAWCC-UHFFFAOYSA-N 359.388 4.640 0 40 FJAB COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3)C[C@@H]21 227767869 ROINBPDEQNYHDI-UWJYYQICSA-N 362.454 4.999 0 40 FJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SC(C)C)=N1 408988700 IXDHUEOFUHBTDN-LJQANCHMSA-N 365.502 4.741 0 40 FJAB CC1(C)CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1 585140501 GBDZHXYWYPWDGN-UHFFFAOYSA-N 363.866 4.867 0 40 FJAB C[C@H]1CC[C@H](c2noc(C3(c4cccc(OC(F)(F)F)c4)CCC3)n2)O1 624685225 JYGDSDZMFLLCCF-SMDDNHRTSA-N 368.355 4.678 0 40 FJAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)O)c2c1Br 1857793818 BZANGUCAQOPJSV-UHFFFAOYSA-N 356.219 4.979 0 40 FJAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1Br 1053233 VDDZBQAZMSTLAM-UHFFFAOYSA-N 366.284 4.601 0 40 FJAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 1308141 SLRDDBBIKUDRIU-LBPRGKRZSA-N 356.516 4.917 0 40 FJAB CCC(C)(C)Nc1c(-c2cc3cc(C)ccc3[nH]c2=O)nc2ccccn12 1330184 NRMJRCKMASEMAY-UHFFFAOYSA-N 360.461 4.752 0 40 FJAB CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl 1337985 PQDOGFIGAMZTEU-UHFFFAOYSA-N 351.233 4.512 0 40 FJAB CCN(CC)c1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 2413725 ADZXNWJEOATSNN-QGZVFWFLSA-N 351.541 4.501 0 40 FJAB COc1ccc(Cl)cc1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2465891 NOAVQVJGTRNRFC-NSHDSACASA-N 362.857 4.740 0 40 FJAB O=C(N1CCN(c2ccccc2Cl)CC1)C1(c2ccccc2)CCCC1 2512747 LCAQFIVZCXTCBK-UHFFFAOYSA-N 368.908 4.501 0 40 FJAB Cc1ccc(C)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 3217131 YYQFBJWSNZCLBL-UHFFFAOYSA-N 373.452 4.617 0 40 FJAB FC(F)(F)c1ccc(CCNc2ncnc3sc4c(c23)CCC4)cc1 3345007 WFJXJFIWPBKRGL-UHFFFAOYSA-N 363.408 4.853 0 40 FJAB CC(C)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 4073363 KXURVZKMLUKHLA-QHCPKHFHSA-N 373.456 4.531 0 40 FJAB biogenic CCN(CC)c1ccc(NC(=O)CCCCCCCCC(=O)OC)cc1 4663458 MIOAEEWDFLQNBR-UHFFFAOYSA-N 362.514 4.765 0 40 FJAB Cc1cccc(NC(=O)CCCOc2cccc(Br)c2)c1C 6339967 JWNHNONKYRBJCH-UHFFFAOYSA-N 362.267 4.864 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 6563498 DEUPKWFGTSGFGS-UHFFFAOYSA-N 372.896 4.726 0 40 FJAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccc(Cl)cn1 6588266 JUBIGQNLSGNKNE-SNVBAGLBSA-N 363.895 4.730 0 40 FJAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(C)=O)cc1 6956318 NOOYMYOJEKQBDF-UHFFFAOYSA-N 366.244 4.723 0 40 FJAB CC(=O)c1sc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)nc1C 7059286 KKPLUYLRYJRBPH-AWEZNQCLSA-N 350.871 4.686 0 40 FJAB O=C(NCCc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 7687364 WKUYFOQWVWWCFO-UHFFFAOYSA-N 365.860 4.892 0 40 FJAB O=C(Nc1cccc(Br)c1)c1csc(-c2ccsc2)n1 7755871 NHWNYXUVGZIYLI-UHFFFAOYSA-N 365.277 4.886 0 40 FJAB CCOc1ccc(NC(=O)c2c(C)c(CC)nc3ccccc23)cc1OC 7781519 BGLKZJGFMGQFGT-UHFFFAOYSA-N 364.445 4.765 0 40 FJAB Cc1cccc(Oc2ccccc2NC(=O)[C@H]2COc3ccccc3O2)c1 8770762 PWJXVNVHJSKORA-OAQYLSRUSA-N 361.397 4.566 0 40 FJAB Cc1ccc(CSc2nc(CC(=O)NCc3cccs3)cs2)cc1 8936351 CDOYELYPZBHRCS-UHFFFAOYSA-N 374.556 4.664 0 40 FJAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)cc1 10254548 LIVDZJYFNJXBHX-UHFFFAOYSA-N 372.852 4.601 0 40 FJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3F)cc2)cs1 12563995 JMHVKWZSXSELEG-LLVKDONJSA-N 373.428 4.836 0 40 FJAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1 12615798 QOUYJZQTDMSETI-LURZSEBBSA-N 350.487 4.936 0 40 FJAB CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 12619184 YRCSMKIEDAHFRK-UHFFFAOYSA-N 370.836 4.965 0 40 FJAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)cc1F 12774880 KGTJILIQSGLVEC-SECBINFHSA-N 350.415 4.641 0 40 FJAB CCCCC(=O)Nc1ccc(C(=O)Nc2c(C)nn(CCCC)c2C)cc1 14405370 JQSVAXHKTZYPFK-UHFFFAOYSA-N 370.497 4.681 0 40 FJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 14833594 CQZHTYDLPPLFJT-UELRPHRMSA-N 356.853 4.520 0 40 FJAB CCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 21578975 YFNAZIJJUQYJFY-UHFFFAOYSA-N 367.474 4.643 0 40 FJAB COc1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1OC 30848308 QDJQTBUZKJPXOE-RCCKNPSSSA-N 373.452 4.561 0 40 FJAB O=C(Nc1cccc(-c2ccn[nH]2)c1)C(c1ccccc1)c1ccccc1 31588968 LEDPHIOHRJBARP-UHFFFAOYSA-N 353.425 4.847 0 40 FJAB C[C@H]1Oc2c(C(=O)Nc3ccccc3OCC(F)(F)F)cccc2[C@H]1C 32885722 LSJURQXOXMWPEQ-NWDGAFQWSA-N 365.351 4.764 0 40 FJAB CC(C)c1nnc(C2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)o1 35597700 JUGJYQVDJCLCQJ-UHFFFAOYSA-N 370.497 4.902 0 40 FJAB O=C(Cc1noc2ccccc12)N[C@H](c1ccc(F)cc1)C1CCCC1 40117460 JSZOFFVKSOCHFI-NRFANRHFSA-N 352.409 4.557 0 40 FJAB CC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2cccc3ccccc23)c1 47545513 TYVIMAJDPBYHGW-UHFFFAOYSA-N 361.445 4.771 0 40 FJAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1nc(C2CC2)cs1 65584990 PVNBGWSWEDQQQX-UHFFFAOYSA-N 373.865 4.726 0 40 FJAB O=C(Nc1cc(Cl)ccc1Cl)N(C[C@@H](O)c1ccccc1)C1CC1 72289142 IYOULZKQLVPHAK-QGZVFWFLSA-N 365.260 4.723 0 40 FJAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(C)=O)cc2)o1 78850014 LEDACHUPNHMQAZ-IBGZPJMESA-N 354.450 4.558 0 40 FJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Cl)c1 100949605 JSJKLECSJXUUFW-RWQQGDIJSA-N 353.849 4.522 0 40 FJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 101327771 VCTLNUYPMBPRDQ-KMCWBVRRSA-N 356.293 4.702 0 40 FJAB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102622424 BPXBLALYCPDREW-DYESRHJHSA-N 356.429 4.652 0 40 FJAB CCCCO[C@@H](C)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 109583693 ORTPZWLVUHANJX-ZDUSSCGKSA-N 357.385 4.941 0 40 FJAB Cc1nc(-c2ccccc2NC(=O)c2ccc(Cn3ccnc3)cc2)cs1 208008483 ULGKLNGYBNEGFY-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219320581 CAIFLVNXAGBFKK-IRXDYDNUSA-N 373.880 4.916 0 40 FJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 223787702 QTNPHTHHYFAVNP-IBGZPJMESA-N 365.517 4.607 0 40 FJAB CCc1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 224315637 COYICHRASYHERH-UHFFFAOYSA-N 373.496 4.966 0 40 FJAB Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1C 225904853 JVQGAUAYLOTANY-LJQANCHMSA-N 370.924 4.832 0 40 FJAB NNc1nc2c(Cl)cc(NC(=O)c3cccc4ccccc34)cc2s1 226311493 YGKYKYAOVYRXPB-UHFFFAOYSA-N 368.849 4.641 0 40 FJAB O=C(CCCCCBr)c1ccc(Br)c(F)c1 381242902 MMWUZOILLFFVBM-UHFFFAOYSA-N 352.041 4.726 0 40 FJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccc(F)c2)N1c1cccc(F)c1 1615124096 CWGODMUVWNLDJQ-PMACEKPBSA-N 370.443 4.627 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 633051 JVWNZCHTPSDBBG-UHFFFAOYSA-N 354.715 4.681 0 40 FJAB COc1ccccc1/C=C/C(=O)Nc1nc(-c2ccccc2)c(C)s1 941513 NVGIJYHOQOQKOC-OUKQBFOZSA-N 350.443 4.779 0 40 FJAB Cc1ccccc1[C@]1(O)c2cccc3cccc(c23)[C@@]1(O)c1ccccc1C 1654127 GWOCXNRRZOGZJA-UIOOFZCWSA-N 366.460 4.942 0 40 FJAB CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](CC)C2 2106100 CSXPCDCZVPMUDC-LBPRGKRZSA-N 361.463 4.675 0 40 FJAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccc3c(c2)OCO3)C1(C)C 2484928 VYMWBXBZMKCLPE-UXHICEINSA-N 353.418 4.521 0 40 FJAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccccc2F)s1 2887699 RKYLQPMLEASNQE-UHFFFAOYSA-N 369.465 4.540 0 40 FJAB COc1cc2c(cc1OCc1ccccc1)C(Cc1ccccc1)=NCC2 3847350 FSKBRPHNEULHJY-UHFFFAOYSA-N 357.453 4.862 0 40 FJAB biogenic CC(C)(C)n1nc2c(c1NC(=O)C13CC4CC(CC(C4)C1)C3)CSC2 3912430 IORUMUFMWDUJQZ-UHFFFAOYSA-N 359.539 4.540 0 40 FJAB CN(C)Cc1ccccc1[C@@]1(O)c2ccccc2CSc2ccccc21 4128075 QRDQOMFEFIBBJS-HSZRJFAPSA-N 361.510 4.638 0 40 FJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 4130183 FAHWTOURIJINNN-UWVGGRQHSA-N 354.233 4.503 0 40 FJAB Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4s3)n2)cc1 4176532 DEGJXFNKHKGXOA-UHFFFAOYSA-N 351.456 4.981 0 40 FJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc2c(c1)CCC2 4548425 HNZQLWVHRAEQJC-GFCCVEGCSA-N 368.433 4.728 0 40 FJAB CCCC(=O)Nc1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1 4704438 IHXYQYIZHKSZQI-UHFFFAOYSA-N 353.447 4.596 0 40 FJAB COc1cc(-c2nc3ncccn3c2Nc2ccc(C(C)C)cc2)ccc1O 4903639 LJZMYNDXKZEVMG-UHFFFAOYSA-N 374.444 4.978 0 40 FJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2cccc(C)c2)cc1 5358499 LSQJXWXAROGRPI-OAHLLOKOSA-N 351.475 4.556 0 40 FJAB CC(=O)c1ccc(OC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 5383509 IFLSRAXZPHYZID-UHFFFAOYSA-N 362.381 4.666 0 40 FJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 5481579 WMTPJJMXFHTJFS-UHFFFAOYSA-N 362.267 4.764 0 40 FJAB COc1ccc(-c2nc(C(=O)NCC(C)C)cc3c2[nH]c2ccccc23)cc1 5789670 FQVHLWVRHAUTGC-UHFFFAOYSA-N 373.456 4.778 0 40 FJAB biogenic Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)c(C)c1 6506552 HXFPDMDHZQIOLP-UHFFFAOYSA-N 356.516 4.996 0 40 FJAB O=C(c1csc(-c2ccsc2)n1)N1CCC(Cc2ccccc2)CC1 7947532 QOYREBWSQITPCH-UHFFFAOYSA-N 368.527 4.967 0 40 FJAB O=c1cc(COc2ccccc2Cl)nc2scc(-c3ccccc3)n12 8603541 MXPJASIJFFIVEL-UHFFFAOYSA-N 368.845 4.655 0 40 FJAB O=C(Cc1ccccc1F)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8714192 TZDJZQCQSQTHTA-UHFFFAOYSA-N 367.807 4.891 0 40 FJAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868398 CAUWUNFGXQPCTQ-SFHVURJKSA-N 364.272 4.815 0 40 FJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(C)cc1 9200977 FFWVGVJJTKBOTD-UHFFFAOYSA-N 370.840 4.752 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9642253 MLWAUTFVJHOQGC-QGZVFWFLSA-N 372.852 4.870 0 40 FJAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1C 9827856 GDVIEAOHKUAIOK-UHFFFAOYSA-N 358.397 4.914 0 40 FJAB O=C(Cc1cc(-c2cccs2)on1)Nc1cccc(C(F)(F)F)c1 12422248 QQJNKWJIDJWDPF-UHFFFAOYSA-N 352.337 4.603 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccc2)C1 12603413 CQLALPVEFAQBGB-TZIWHRDSSA-N 361.464 4.830 0 40 FJAB biogenic,in-vitro Cc1cc(C(=O)Nc2cccc(Br)c2)c(C)n1Cc1ccco1 12871235 RRKUXYJZAOEJSU-UHFFFAOYSA-N 373.250 4.761 0 40 FJAB O=C(O)c1ccc(Cl)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 13167645 COYUCEVGDQDYKH-UHFFFAOYSA-N 365.816 4.809 0 40 FJAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616321 ICGWILJVOKAAHS-QPPBQGQZSA-N 368.436 4.748 0 40 FJAB CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 14122355 MZBFRPAVIDBQSM-UHFFFAOYSA-N 356.731 4.570 0 40 FJAB CC[C@H]1CN=C(N(C(=O)c2ccc(C)cc2)c2ccc(C(C)=O)cc2)S1 14142299 HXLWDEIKANQUQO-IBGZPJMESA-N 366.486 4.726 0 40 FJAB CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C2CCCC2)c1=S 14241318 XNIAZTWCTLKQOT-UHFFFAOYSA-N 350.919 4.586 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1c(F)cccc1Cl 15581972 FVJSKYPTYKXSCT-UHFFFAOYSA-N 357.860 4.631 0 40 FJAB Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c12 16778799 YUFXYGCNTXBLJK-UHFFFAOYSA-N 363.804 4.748 0 40 FJAB COc1cc(C)c(CN2CCC(c3cc4ncccc4cn3)CC2)cc1C 19567277 VNGDPPVLSMZZBM-UHFFFAOYSA-N 361.489 4.635 0 40 FJAB COc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 21579227 GROSQMOMAFJQGT-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB Cc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(F)cc4)c3ncn2n1 21801682 RUDIOZLWJJVQKV-UHFFFAOYSA-N 371.419 4.800 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(-c2ccco2)on1 26652200 GCUXXLKEDHVIJU-UHFFFAOYSA-N 366.373 4.619 0 40 FJAB Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCCC2)cc1 27664372 BMWCPJIFBKYYCD-OAQYLSRUSA-N 370.924 4.996 0 40 FJAB CCc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1 28574418 NRUWRILUOQKZJQ-UHFFFAOYSA-N 373.378 4.765 0 40 FJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1csc(-c2ccco2)n1 29512152 SDCGGBOLQZVNIP-UHFFFAOYSA-N 361.835 4.919 0 40 FJAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(Cl)ccc1F 32924770 YSCWJEYPWTVLBG-UHFFFAOYSA-N 374.774 4.736 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccc(F)c(Cl)c1 36357417 OJGQICKMOSUHJC-CYBMUJFWSA-N 371.799 4.797 0 40 FJAB C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nc3ccccc3s2)cc1 41127088 DRZKRACRBYYORW-HNNXBMFYSA-N 350.487 4.907 0 40 FJAB COc1ccc(-c2csc(-c3ccc(OCCN(C)C)cc3)n2)cc1F 48314830 YDFJKIIJEBKDSW-UHFFFAOYSA-N 372.465 4.565 0 40 FJAB O=C1N=C(Nc2ccccc2)/C(=C/c2cccc(Oc3ncccn3)c2)S1 71285104 DRNOWVZDHAMOPG-LGMDPLHJSA-N 374.425 4.987 0 40 FJAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(Oc2ccccc2)c1 89346356 YRJNVPAIMMJCRT-UHFFFAOYSA-N 365.404 4.769 0 40 FJAB FC(F)(F)c1cc(NCCc2cn3ccccc3n2)c2ccccc2n1 89866644 YDHPECZWLIXFHI-UHFFFAOYSA-N 356.351 4.556 0 40 FJAB FC(F)C(F)(F)C(F)(F)CCOc1cccc(Br)c1 95094045 OCCCJKGFQWUMAV-UHFFFAOYSA-N 351.084 4.754 0 40 FJAB Cc1ccccc1Cc1nc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)no1 95964365 DJRCRRYHZOIBJS-CRAIPNDOSA-N 351.450 4.535 0 40 FJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccsc1 96119754 GVQLIXGYAKYIHZ-UHFFFAOYSA-N 367.455 4.703 0 40 FJAB Cc1nnc(SCc2ccccc2)nc1/C=C/Nc1ccc(F)cc1 100104770 CADNMOFDCBLTJK-VAWYXSNFSA-N 352.438 4.694 0 40 FJAB COc1cccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3ncnc3N2)c1 101150362 YVJJMTBCUMALIC-MRXNPFEDSA-N 373.243 4.650 0 40 FJAB Cc1cccc(C(=O)Nc2cc(N3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)c1 216866921 UGDWBJPHNRRQPD-HZPDHXFCSA-N 351.494 4.620 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 219529475 BUVXINHSNOZRFU-LJQANCHMSA-N 369.505 4.607 0 40 FJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 223194120 DMXYFHKOSRBYKY-HNNXBMFYSA-N 365.395 4.714 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224010301 PLMYXYMDFABKLN-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CC(C)c1ccccc1O[C@@H](Cc1ccc(Br)cc1)C(=O)O 225066048 IMZMSNXTOSKMEF-KRWDZBQOSA-N 363.251 4.647 0 40 FJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 225207244 QQENZDXYIALNRU-MRXNPFEDSA-N 369.505 4.811 0 40 FJAB COc1cc(C)c(C(=O)N[C@H](C)COc2ccccc2C)cc1C(C)C 225666732 FLJOMMDBHGNCLW-QGZVFWFLSA-N 355.478 4.633 0 40 FJAB Cc1cc(C)cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 409381895 ONTZEPHCLVBZCX-UHFFFAOYSA-N 351.471 4.699 0 40 FJAB C[C@@H]1C[C@@H](NCc2ccc(NC(=O)c3ccncc3)cc2)c2ccccc21 573351148 OLLZJPDXVNBLKI-OPAMFIHVSA-N 357.457 4.672 0 40 FJAB Cc1noc(Cc2ccc(NC(=O)c3ccc(Cl)c4occc34)cc2)n1 1627065551 JYQBMXBDYGVCBA-UHFFFAOYSA-N 367.792 4.621 0 40 FJAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@]21CC 601267 KIQQMECNKUGGKA-VRBBIHERSA-N 369.505 4.715 0 40 FJAB biogenic CCCCOC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 1778555 YXQWIILPFRMCGO-RYUDHWBXSA-N 364.536 4.640 0 40 FJAB Sc1nnc(-c2cc3cc(Br)ccc3o2)n1-c1ccccc1 2523067 AUHMLXNQOZCFLV-UHFFFAOYSA-N 372.247 4.732 0 40 FJAB C[C@@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)n2ncnc2N1 2633326 YZSISDZOONXRCC-SFHVURJKSA-N 357.244 4.815 0 40 FJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1CCCCCC1 2639479 UXQVYLNSTDRECL-UHFFFAOYSA-N 359.901 4.654 0 40 FJAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(F)c1 3333584 XXWRXMGRYFOXMS-UHFFFAOYSA-N 362.120 4.859 0 40 FJAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3372012 PBLRGSAIQDNYAR-SNVBAGLBSA-N 371.742 4.543 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)CCc1cccc(Br)c1 3503865 YHXITRTWBSHUNA-UHFFFAOYSA-N 352.659 4.982 0 40 FJAB COc1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1 3893246 CSGBDWYUJNZQQR-UHFFFAOYSA-N 360.438 4.809 0 40 FJAB CC(=O)OC1=CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]12C 4578322 KPJNGUPMJAHAND-XAPVIXHLSA-N 354.446 4.525 0 40 FJAB COc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 4741149 ZSWVIZYLEVFDRA-UHFFFAOYSA-N 350.399 4.817 0 40 FJAB CC(C)Oc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 5428443 JOUSPQRSXYDXAG-UHFFFAOYSA-N 352.478 4.712 0 40 FJAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(Cl)cc1 5600106 UPBYBDUDINFHSV-BQYQJAHWSA-N 365.742 4.567 0 40 FJAB O=C(CCC(=O)c1cccs1)OCc1csc(-c2ccccc2)n1 5787218 USMDNHOSXXVXBY-UHFFFAOYSA-N 357.456 4.578 0 40 FJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 5860829 QJIBDVVQNZOXJY-UHFFFAOYSA-N 356.472 4.550 0 40 FJAB COc1cccc2c1Oc1nc(-c3cccc(Cl)c3)nc(S)c1C2 6009495 FQPMAMKZQCLTEU-UHFFFAOYSA-N 356.834 4.791 0 40 FJAB CCC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2C)c2ccccc12 6308285 MGVAXLXVXLDTRG-UHFFFAOYSA-N 354.837 4.835 0 40 FJAB CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6318323 PLZGRKSRMMMIMJ-UNOMPAQXSA-N 368.864 4.839 0 40 FJAB COc1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1OCc1ccccc1 6578618 LQOUVDHSHUSKQD-ZHZULCJRSA-N 371.436 4.791 0 40 FJAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)Cc3ccco3)oc2c1 6811420 PVEQSJTUONEBKA-UHFFFAOYSA-N 373.408 4.537 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1ccc(OCc2ccccc2)cc1 7910954 DQKMUPIZWHYRLM-UHFFFAOYSA-N 358.397 4.588 0 40 FJAB COc1cc(C2SCCS2)ccc1Oc1ncnc2sccc12 8063709 IMXVAZBOFUUUBZ-UHFFFAOYSA-N 362.501 4.971 0 40 FJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1Cl 8272963 ABWLWIRLUGYBLI-UHFFFAOYSA-N 365.907 4.836 0 40 FJAB O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)CCc2ccccc2)cc1 8471453 QFJBFXFZTJQLSZ-GZTJUZNOSA-N 370.452 4.910 0 40 FJAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccc(F)cc1 8471588 ZKSWDBRPFLTTAS-UHFFFAOYSA-N 365.448 4.746 0 40 FJAB O=C(NCc1cccs1)c1cn(-c2ccccc2)nc1-c1cccs1 8519262 XAYNTESCEHNSMG-UHFFFAOYSA-N 365.483 4.592 0 40 FJAB O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8869560 DGWCRLUUWNUYSJ-FVNWOWOISA-N 361.894 4.623 0 40 FJAB COCc1c(C(=O)OCc2nc3ccccc3o2)sc2cccc(F)c12 9909302 HUQPFTPNNQKYJQ-UHFFFAOYSA-N 371.389 4.685 0 40 FJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2)cc1 12344233 IIUQPSMGLHZGSA-NRFANRHFSA-N 361.445 4.524 0 40 FJAB Cc1cccc2nc(CNc3ccccc3Sc3ccccc3)cc(=O)n12 12532704 UTLSDJSPGVWBQF-UHFFFAOYSA-N 373.481 4.766 0 40 FJAB Cn1c(=O)cc([C@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)c2ccccc21 15024361 MZUCILPNLOGHPD-QMIHWGKISA-N 351.471 4.746 0 40 FJAB COc1cccc(CN[C@@H](Cc2ccsc2)c2ncccc2C)c1OC 19237647 YMZODYJPHJAWJW-SFHVURJKSA-N 368.502 4.542 0 40 FJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(CN(CC)CC)cc1 20110668 LIGCZWBJGVKQTD-FQEVSTJZSA-N 354.494 4.633 0 40 FJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1ccccc1 20540689 WUJOBPRJEVJGQL-UHFFFAOYSA-N 354.841 4.846 0 40 FJAB CCOc1ccc2oc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)c(C)c2c1 28253368 NIOBYTKWLNUCHQ-UHFFFAOYSA-N 367.430 4.844 0 40 FJAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1)c1ccco1 40110536 QXFLCSHODNNPQZ-KRWDZBQOSA-N 366.442 4.571 0 40 FJAB C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1F 40141123 NKDYZEGJQBAZCL-AWEZNQCLSA-N 370.449 4.591 0 40 FJAB Cc1ccc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1 40150136 BTDLTWFPFKJNSG-UHFFFAOYSA-N 361.489 4.870 0 40 FJAB O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCC1=CCCCC1 40387684 SAXJFAHUIJHWFB-UHFFFAOYSA-N 370.456 4.602 0 40 FJAB CCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 54313665 VHVKXSLRFVALBA-UHFFFAOYSA-N 355.821 4.675 0 40 FJAB biogenic Cc1ccc2nc(-c3cc(NC(=O)C(F)(F)F)ccc3Cl)oc2c1 57316745 DRFUNPKCFODQTB-UHFFFAOYSA-N 354.715 4.957 0 40 FJAB CCCCc1nc(COc2ccc(NC(=O)c3ccco3)cc2)cs1 58050538 ISMRTFHEPDAETI-UHFFFAOYSA-N 356.447 4.910 0 40 FJAB C[C@H]1CN(Cc2ccccc2NCc2c(F)cccc2Cl)C[C@H](C)O1 58363130 WVYCSBMHJZKLMI-GJZGRUSLSA-N 362.876 4.700 0 40 FJAB Cc1nc(NC(=O)c2ccc(Cn3ccnc3)cc2)sc1-c1ccccc1 69535723 VJLPTNQMMZOASX-UHFFFAOYSA-N 374.469 4.616 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1F 70685033 AZPOHAXDEQLIJW-UHFFFAOYSA-N 364.207 4.879 0 40 FJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccccc1Cl 71326695 LWGBEHCXTHMHGB-UHFFFAOYSA-N 363.914 4.780 0 40 FJAB Cc1cc(N[C@H](C)c2ccc(-n3ccnc3C)cc2)nc(-c2ccccn2)n1 75106782 MZTKDUFXNIZVCJ-MRXNPFEDSA-N 370.460 4.514 0 40 FJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)N)[C@@]4(C)CC[C@@H]32)C1 82041031 SYGYUPQRRFLXHY-MNSAEQACSA-N 359.554 4.844 0 40 FJAB CC(C)(C)[C@@H](NCCc1nnc2n1CCCCC2)c1cc2ccccc2o1 97049257 QWSFVUGUVVJQFH-NRFANRHFSA-N 366.509 4.670 0 40 FJAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(OC)c(OC)c1 222746372 XUQCUZGHLXHZLI-SFHVURJKSA-N 373.518 4.513 0 40 FJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1C 225181210 KZKUNUGFWLMQQF-LAUBAEHRSA-N 351.490 4.909 0 40 FJAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1Cl 225815656 WBANXZNOEXKODV-UHFFFAOYSA-N 355.825 4.578 0 40 FJAB CC(C)=CCC[C@@]1(C)C=Cc2c(cc(C)n(Cc3ccncc3)c2=O)O1 257279032 OESHVNAYKABGHK-QFIPXVFZSA-N 350.462 4.511 0 40 FJAB CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257348526 GQXZPRCPDHVBKD-BWLWMKGRSA-N 362.554 4.958 0 40 FJAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OCC)c1 408824135 PPYITUKKUMNAGO-PDGQHHTCSA-N 369.442 4.725 0 40 FJAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccccc2C)cc1 409119031 QXABHCMBHWDGPE-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB O=C(NCc1cncc(-c2ccoc2)c1)c1cc2cc(F)ccc2s1 575620586 OVKFFEKDPIDHME-UHFFFAOYSA-N 352.390 4.625 0 40 FJAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 629546 ORPWJJLUEYSELG-UHFFFAOYSA-N 358.488 4.536 0 40 FJAB Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3C)cc2)cc1 993077 IFWXODPVNZRILT-UHFFFAOYSA-N 359.425 4.817 0 40 FJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)C1CCCC1 1330077 GUKMYPKWSOAUGP-UHFFFAOYSA-N 365.404 4.517 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)c(=O)c2ccccc12 1402416 GFAOYXYAVRKSML-UHFFFAOYSA-N 374.827 4.896 0 40 FJAB COc1ccc(C(=O)Nc2ccc([C@@]3(C)CC3(Cl)Cl)cc2)cc1 1442232 IWZPLMVEHHLADP-QGZVFWFLSA-N 350.245 4.783 0 40 FJAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 1485885 ICZHKKBLJASVMX-SFHVURJKSA-N 355.484 4.606 0 40 FJAB CC[C@@H](C(=O)OCC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 3217633 YBZWNKCOFFKPTC-GOSISDBHSA-N 353.462 4.794 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CSc1ccc(NC(C)=O)cc1 3287419 MSAOZPDBDACUQN-AWEZNQCLSA-N 356.491 4.889 0 40 FJAB O=C1c2ccccc2CC[C@]12N=NC[C@H]2c1ccc(Br)cc1 5053036 MDZBIMPYXZWHLK-FUHWJXTLSA-N 355.235 4.566 0 40 FJAB COC(=O)c1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12 5186250 YMNDMXSVYQOGJS-UHFFFAOYSA-N 372.380 4.581 0 40 FJAB CCc1ccc(-c2csc(NC(=O)c3ccc(OC)cc3OC)n2)cc1 5658401 SKJBBAISKVWAGH-UHFFFAOYSA-N 368.458 4.642 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 5918249 SFUZQSSWNUCVQF-UHFFFAOYSA-N 374.849 4.733 0 40 FJAB CCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 5951237 QVBLNRRVBOILLW-UHFFFAOYSA-N 357.450 4.915 0 40 FJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccnc1Cl 6330439 AQZSETISXFIHQC-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cccc(Cl)c1 6356674 JNURLGKZJIVVHS-UHFFFAOYSA-N 373.865 4.609 0 40 FJAB CCN(CC)Cc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 6949591 NWPOFAYLWVTPAO-UHFFFAOYSA-N 368.521 4.978 0 40 FJAB Cc1c(C(=O)NCCCn2cnc3ccccc32)oc2ccc(Cl)cc12 7256651 QRIIEDWSWXKYGL-UHFFFAOYSA-N 367.836 4.564 0 40 FJAB CCc1ccc(OCCCn2c([C@H]3CCCO3)nc3ccccc32)cc1 7343603 QQQLRXYCHKOTTN-OAQYLSRUSA-N 350.462 4.919 0 40 FJAB Cc1nc2ccc(NC(=O)Cc3c(C)nc4ccccc4c3C)cc2s1 7670244 ZASRQFOJAAEYRE-UHFFFAOYSA-N 361.470 4.951 0 40 FJAB CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl 8132581 YIYGPRDTARDTNP-UHFFFAOYSA-N 374.289 4.674 0 40 FJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccnc3)no2)cc1 12143933 SFIAZIGJMVXTNR-OAQYLSRUSA-N 363.461 4.863 0 40 FJAB Cc1nc(-c2ccc(CNC(=O)c3c(C)[nH]c4ccccc34)s2)cs1 12757288 RWDZYYJISPZCFN-UHFFFAOYSA-N 367.499 4.900 0 40 FJAB COc1cc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1OC(C)C 13041807 PPVQUZPJWSHAGU-NZZWAHBWSA-N 365.901 4.844 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)c1C 15832381 TUPJVGIUJCOONM-INIZCTEOSA-N 366.486 4.511 0 40 FJAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)n1 19660630 YIBIBOZBXBDYRN-INIZCTEOSA-N 365.481 4.555 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSc1ccc(C)cc1 20105575 SFDFWAMABYWAFQ-IBGZPJMESA-N 357.519 4.678 0 40 FJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc2c(ccc3ccccc32)o1 20460474 XBUQZLFBFWMJHL-UHFFFAOYSA-N 370.408 4.965 0 40 FJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1)Cc1ccco1 21524128 QNWHDJPNYPHDGW-UHFFFAOYSA-N 358.397 4.777 0 40 FJAB CC(C)c1noc2ncc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc12 32871964 WYTPXNASSANINR-QRYOHXEKSA-N 367.493 4.681 0 40 FJAB Cc1nc2cc(NC(=O)c3cccnc3Cl)ccc2n1-c1ccccc1 32971821 MPOSEVYTJSAVJW-UHFFFAOYSA-N 362.820 4.635 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 39772738 KOLLQCVBQNBRPP-UHFFFAOYSA-N 350.506 4.771 0 40 FJAB O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(F)cc2)[nH]n1 57412769 DEXBFOFTBBLIGS-UHFFFAOYSA-N 350.180 4.775 0 40 FJAB CCN(Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)cc1)C(C)C 58281343 XOLXXCFVUIBGSH-UHFFFAOYSA-N 363.461 4.824 0 40 FJAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@H]1c1ccc(O)cc1 58393446 NMXUYEGNAOMUPM-FQEVSTJZSA-N 367.880 4.877 0 40 FJAB CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215788 CSPFYTPROLJOSS-GOSISDBHSA-N 353.466 4.922 0 40 FJAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccccc3)n2)c1 72357594 BPTFVKHKFDITBO-HSZRJFAPSA-N 372.468 4.658 0 40 FJAB Cc1nc(-c2ccc(CCNC(=O)Nc3ccccc3C)s2)cs1 75951447 BEEHISFJAFWZCL-UHFFFAOYSA-N 357.504 4.853 0 40 FJAB CCc1cccc(C)c1-n1nnnc1[C@](C)(CC)Nc1ccc(Cl)cc1 102386626 WATIKCQVTNLMRN-FQEVSTJZSA-N 369.900 4.924 0 40 FJAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1Cl 102550226 BTYRELSNOQTVBI-UZKILMIQSA-N 365.860 4.578 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 219529632 UCVBLLCKRUBSDC-LJQANCHMSA-N 369.505 4.607 0 40 FJAB C[C@@H]1[C@H](O)CC[C@@H]2[C@@](C)(COc3ccc4ccc(=O)oc4c3)CCC[C@@]12C 222360107 HCHKBKRQLFXVQM-PLHKFMOSSA-N 370.489 4.775 0 40 FJAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1cccc(Cl)c1 224142340 NJYWTOCAXQTOJY-UHFFFAOYSA-N 373.880 4.990 0 40 FJAB CC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 225717753 QZZHPLCLVDPZNE-KRWDZBQOSA-N 358.507 4.758 0 40 FJAB CC(C)C1(NC(=S)Nc2ccc(Br)cc2F)CCCC1 225861156 GVFOOMKVQQVIAQ-UHFFFAOYSA-N 359.308 4.843 0 40 FJAB CCn1cc(C(=O)Nc2cccc(Cl)c2C)c(=O)c2cc(C)ccc21 408713046 ICRJVXMIRJTPCK-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2cc[nH]c2)cc1 585106213 XDVVHDLPDJKLJK-UHFFFAOYSA-N 372.468 4.699 0 40 FJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccccc1C(F)(F)F 618255940 CACDWQYDWQNWQQ-AWEZNQCLSA-N 365.376 4.922 0 40 FJAB CCC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575401 DVYRCIDXFKOIMI-UHFFFAOYSA-N 354.450 4.565 0 40 FJAB O=C(NCc1cccc(Cl)c1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1290389966 WFNCPAZNIOTSQW-UHFFFAOYSA-N 352.743 4.770 0 40 FJAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 953498 DFCVWKLAEOBWJI-UHFFFAOYSA-N 363.788 4.776 0 40 FJAB O=C(/C=C/c1ccccc1)Oc1ccc(Nc2ncnc3ccccc23)cc1 955728 MNLNPCLJGBMABC-XNTDXEJSSA-N 367.408 4.992 0 40 FJAB COc1ccccc1NC(=O)c1sc2nc3c(C)cccc3cc2c1N 977020 ATGDYBOLSLTSKD-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1F 1339998 HYPIKWMTFQJLHY-UHFFFAOYSA-N 354.450 4.976 0 40 FJAB CCSc1nc(N2CCCC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2429555 DCDDVWNXHOAWFI-SFHVURJKSA-N 363.552 4.645 0 40 FJAB O=C(/C=C/c1c(F)cccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 2738789 GPDCSGSXHHFCQJ-SNAWJCMRSA-N 365.660 4.827 0 40 FJAB CSc1ccc([C@@](O)(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1 3850477 PFLUYVDPPNNHND-JOCHJYFZSA-N 364.466 4.786 0 40 FJAB biogenic CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 5012214 WLLTXVBZPNUQBD-UHFFFAOYSA-N 365.502 4.908 0 40 FJAB COCCn1c(SCc2ncc(-c3ccccc3)o2)nc2ccccc21 5267727 VGQCANVGXYZTOR-UHFFFAOYSA-N 365.458 4.630 0 40 FJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)cc1 5778841 WXDSBKXWNHSGFR-HNNXBMFYSA-N 367.474 4.781 0 40 FJAB CCc1cccc([C@H](C)CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1 6371712 QSMIRHYSRGDBOV-CQSZACIVSA-N 364.445 4.654 0 40 FJAB CCCCc1nc2ccccc2n1CC(=O)Nc1cccc2ncccc12 6657696 CXPAKAUBHJZDNC-UHFFFAOYSA-N 358.445 4.566 0 40 FJAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCSc2ccccc21 6847911 YFLGVZNOIPQBFV-LJQANCHMSA-N 350.487 4.844 0 40 FJAB COc1ccc2c(-c3ccccc3)cc(SCc3nnc(C)o3)nc2c1 9314381 HVFBBZKVNFHWLS-UHFFFAOYSA-N 363.442 4.894 0 40 FJAB Cc1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 11914871 HEXKIFVHYGYTPD-UHFFFAOYSA-N 366.848 4.656 0 40 FJAB Cc1nc(SCC(=O)NC2CCCCCCC2)n(C2CCCC2)c1C 12535187 QOLXVLPQKQAJQU-UHFFFAOYSA-N 363.571 4.936 0 40 FJAB CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2)c2cnn(C(C)C)c2n1 12979231 IIQRKYNTDNZSLN-OAHLLOKOSA-N 350.466 4.627 0 40 FJAB CCCCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 13925238 UVWKFWOCACSOBB-LGMDPLHJSA-N 355.821 4.863 0 40 FJAB CCOc1ccccc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 15293489 QNOAWPQSBGCJSR-UHFFFAOYSA-N 367.474 4.568 0 40 FJAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccccc1C 20482477 RWEYBRPPAAKNPD-UHFFFAOYSA-N 365.498 4.820 0 40 FJAB O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1OCC(F)(F)F 22615292 NDPADQIQZBQUBX-UHFFFAOYSA-N 361.722 4.601 0 40 FJAB C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2cc3ccccc3o2)on1 23127282 JBJHAYZEANIEBK-AWEZNQCLSA-N 358.397 4.608 0 40 FJAB Cc1ccc2[nH]c(C(=O)N(Cc3ccco3)Cc3cccs3)cc2c1 24462634 KPWJHPFFEALDBY-UHFFFAOYSA-N 350.443 4.973 0 40 FJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N(Cc1cccnc1)C1CC1 28515270 TYDCTBVHNTZACT-UHFFFAOYSA-N 360.482 4.714 0 40 FJAB CCCCc1ccc(NC(=S)N2C(=O)CSc3ccccc32)cc1 28527737 BNDPMMNFANPJRT-UHFFFAOYSA-N 356.516 4.865 0 40 FJAB CC(C)c1ccc([C@H](NC(=O)CC(C)(C)CC(=O)O)c2cccs2)cc1 29010981 CSOBYKVVMICRAY-FQEVSTJZSA-N 373.518 4.968 0 40 FJAB CC(C)[C@H](NCC(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccs1 29203204 IBDLUBVPACLUBG-XOBRGWDASA-N 356.491 4.658 0 40 FJAB Cc1cccc(NC(=O)[C@H](C)SCc2csc(-c3ccco3)n2)c1 31421063 DSHKRYPLZGCIDN-ZDUSSCGKSA-N 358.488 4.972 0 40 FJAB O=C([C@H]1CCCO1)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 32796175 VBMHPJPXDLJTAK-QGZVFWFLSA-N 361.894 4.739 0 40 FJAB Cc1ccc(Cc2cnc(NC(=O)CCc3ccco3)s2)cc1Cl 32907108 ZOKICRVGQMJOBP-UHFFFAOYSA-N 360.866 4.860 0 40 FJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc4ncsc4c3)ccc2o1 33215414 VKSHXSUGLZNUNN-UHFFFAOYSA-N 351.431 4.987 0 40 FJAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(F)cc1 33773376 ZJGCYYUCXLRBQT-UHFFFAOYSA-N 373.493 4.821 0 40 FJAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833458 DLIURSFFQPDCRL-SFHVURJKSA-N 356.897 4.808 0 40 FJAB CCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39768436 ZVWMWGCPFQGYBV-UHFFFAOYSA-N 356.897 4.753 0 40 FJAB O=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl 40096577 DIWFUTYSTWJGPN-AWEZNQCLSA-N 359.640 4.502 0 40 FJAB COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccccc1Cl 49544471 RAIGZYDUVIOBCR-OAHLLOKOSA-N 367.836 4.717 0 40 FJAB C[C@@H]1C[C@@H](C)CN(Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 49574776 ZBYJAJDJZJDFFS-ARGWCVDVSA-N 361.482 4.973 0 40 FJAB Cc1nc(C)c(-c2nnc(SCCCc3nc4ccccc4o3)o2)s1 54203635 WQPGTVMXEVWBOK-UHFFFAOYSA-N 372.475 4.676 0 40 FJAB Cc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)s1 57746598 USQZPWRZHCUWRG-UHFFFAOYSA-N 353.519 4.514 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 58405453 ONBUISTXGVHLJB-UHFFFAOYSA-N 359.256 4.602 0 40 FJAB COc1ccc(CCCNC(=O)c2ccccc2SC(C)C)cc1OC 65090382 QQFOHGVEZAGIDK-UHFFFAOYSA-N 373.518 4.567 0 40 FJAB CCOc1cc2c(c3[nH]c(C(=O)N(CC)c4ccccc4)cc13)O[C@H](C)C2 65552591 NGKOFISGXHYAII-CQSZACIVSA-N 364.445 4.557 0 40 FJAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1OCc1ccccc1 72212087 GCZOLWSBNMMBDW-OAQYLSRUSA-N 358.441 4.638 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357604 PWDXHQSUJUDZSN-JOCHJYFZSA-N 360.432 4.789 0 40 FJAB Cc1ccccc1CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375268 PMWOFRNAUCNAMR-SFHVURJKSA-N 350.491 4.927 0 40 FJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1ccncc1 72402884 DRXHYPDIZQGPQI-HNNXBMFYSA-N 365.260 4.539 0 40 FJAB CCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 73638334 BJPZYOWPDJAWPW-UHFFFAOYSA-N 374.028 4.648 0 40 FJAB Cc1ccc(C(=O)[C@@H]2c3ccccc3C(=O)N2c2ccccc2)c(O)c1C 73642851 QAKWUTSBDGKHCT-FQEVSTJZSA-N 357.409 4.593 0 40 FJAB Oc1c(Cl)cc(Cl)cc1CNC[C@H](c1ccccc1)N1CCCC1 84522514 KAKHLLMMUSMFJR-GOSISDBHSA-N 365.304 4.626 0 40 FJAB Cc1ccc(C(=O)c2ccc(Br)cc2)cc1Br 89064322 DWXHABJLZJUUKS-UHFFFAOYSA-N 354.041 4.751 0 40 FJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1 95942256 IHAVRAGXFALCRL-APWZRJJASA-N 370.497 4.868 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 113935042 WRDHKHUJCSHGTB-CQSZACIVSA-N 363.910 4.924 0 40 FJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5ON=C(C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 118917668 XHKXOQIVQHCQQV-QGZPSTLZSA-N 371.521 4.882 0 40 FJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(NC(C)=O)cc1 216454953 HYWLESWWZQFWIB-OAQYLSRUSA-N 362.429 4.594 0 40 FJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c(C)c1 222995715 PNYVVDUNTVRXRV-FQEVSTJZSA-N 369.461 4.585 0 40 FJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 225481911 ZYODHTCQMJANEK-SFHVURJKSA-N 367.518 4.560 0 40 FJAB CC(C)(Cc1ccccc1)NC(=O)CSCc1c(F)cccc1Cl 225498231 LANZCCPMYBVWRI-UHFFFAOYSA-N 365.901 4.850 0 40 FJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)c(C)c1)CC(C)(C)O2 225680965 BSHZWLZZJPKQQW-GOSISDBHSA-N 370.518 4.901 0 40 FJAB Cc1ccc(NCc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409256413 LAJVEADGFSLWNQ-UHFFFAOYSA-N 360.457 4.933 0 40 FJAB CC(C)c1cccc2c1CCN(C(=O)Cc1ccc(-n3cccc3)cc1)C2 1525331497 UZPIDQRFVNGHGX-UHFFFAOYSA-N 358.485 4.728 0 40 FJAB CSc1ccccc1NC(=O)N1CCC[C@]2(CCCN(CC3CC3)C2)C1 2056224736 SMZZYXGSHBLAMK-NRFANRHFSA-N 373.566 4.528 0 40 FJAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc2C1 794450 FIPTWKJCVPPWIO-UHFFFAOYSA-N 356.491 4.848 0 40 FJAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3OCC)c2c1 952828 HTUAFIBMIMGPKB-UHFFFAOYSA-N 350.418 4.862 0 40 FJAB COc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 997974 ACEFWMODOSQPRC-DHZHZOJOSA-N 373.474 4.591 0 40 FJAB O=C(N=c1sc2ccccc2s1)N=c1sc2ccccc2s1 1587446 WFYYMBSKJCKSOG-UHFFFAOYSA-N 360.510 4.861 0 40 FJAB CC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 2408642 VEJPXHCALRTNOW-UHFFFAOYSA-N 353.491 4.683 0 40 FJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccccc1 3216232 XZLNPLZJBLMPQD-NSHDSACASA-N 358.800 4.934 0 40 FJAB COc1ccc(C(C)=O)cc1COC(=O)c1c(Cl)cccc1Cl 3302024 XWZBKGVZMHIIII-UHFFFAOYSA-N 353.201 4.562 0 40 FJAB C=C1c2cc3c(cc2NC(=S)N1c1cccc(C(F)(F)F)c1)OCO3 3330681 UENITZGKUMXBKQ-UHFFFAOYSA-N 364.348 4.622 0 40 FJAB Cc1ccccc1-c1nnc2n1N=C(c1ccc3ccccc3c1)CS2 5092319 WQXATMDNUGQCML-UHFFFAOYSA-N 356.454 4.765 0 40 FJAB CC(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc21 5252260 VSOBOVBUVRCJEX-UHFFFAOYSA-N 363.244 4.545 0 40 FJAB Cc1ccc2c(c1)c1ncnc(N3CCC(Cc4ccccc4)CC3)c1n2C 5516440 DTXDEBIZWUIVSQ-UHFFFAOYSA-N 370.500 4.889 0 40 FJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(O)cc2)cc1 5555221 XGLGQKLBYJEKIX-FYYLOGMGSA-N 372.424 4.643 0 40 FJAB Cc1c(C(=O)N[C@H]2CCCC[C@H]2C)oc2ccc(Br)cc12 6201117 LIMLTVNIRUONRU-YGRLFVJLSA-N 350.256 4.812 0 40 FJAB Cn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nnc1C1CC1 7235313 IYCNPXXQEJZYOD-UHFFFAOYSA-N 355.507 4.715 0 40 FJAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904123 MBSYXADYTAMSTG-UHFFFAOYSA-N 367.445 4.502 0 40 FJAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1Cc2ccccc2O1 10109622 SLWHJTSFIBHCRQ-IBGZPJMESA-N 372.449 4.906 0 40 FJAB COc1cccc2cc(-c3csc(NC(=O)c4cccs4)n3)oc12 10747662 HRVZSNGIOGNGCJ-UHFFFAOYSA-N 356.428 4.879 0 40 FJAB CCOC(=O)c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1Br 12413633 CQFLACLDICHWIT-UHFFFAOYSA-N 371.234 4.683 0 40 FJAB Nc1c(C(=O)NC2CCCCC2)sc(=S)n1-c1ccc(Cl)cc1 12415445 CFSUKXHYTSYMQH-UHFFFAOYSA-N 367.927 4.566 0 40 FJAB Fc1ccc(-c2nnc(S)n2-c2ccc(SC(F)F)cc2)cc1 12505620 ZDZFWASYWMLIGY-UHFFFAOYSA-N 353.394 4.677 0 40 FJAB CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(/C)CCC=C(C)C)C(=O)O 13536952 XTURYZYJYQRJDO-BSWQNXSGSA-N 367.555 4.728 0 40 FJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13689161 YYSLXEGSFJRZNP-KRWDZBQOSA-N 365.498 4.824 0 40 FJAB CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OCC(C)=O)cc12 15019017 KDAUHDYRIDNLCW-UHFFFAOYSA-N 357.450 4.599 0 40 FJAB CC[C@@H](C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 15390141 QVOHFSPXJOWZJN-CABCVRRESA-N 357.450 4.623 0 40 FJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 20492493 LTLBWVNMYJPOCD-MRXNPFEDSA-N 358.290 4.564 0 40 FJAB CCc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 20578925 TVHQUHKXUCCWAU-UHFFFAOYSA-N 370.456 4.852 0 40 FJAB O=C(Cc1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCCCCC1 21170930 IWEQQRVVKDUTFQ-HXUWFJFHSA-N 362.945 4.530 0 40 FJAB c1ccc([C@@H]2CN(Cc3nc(-c4ccsc4)no3)Cc3ccccc32)cc1 26100191 KIDMRUWOPFHHSE-FQEVSTJZSA-N 373.481 4.946 0 40 FJAB Cc1cccn2c(NC(=O)/C=C/c3ccccc3)c(-c3ccccc3)nc12 27015404 IEUZIVHNBSCTBU-CCEZHUSRSA-N 353.425 4.962 0 40 FJAB CC(=O)c1ccc(OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 40128201 UBENUIUTQQOWMK-UHFFFAOYSA-N 364.401 4.645 0 40 FJAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c2ccccc12 41095057 GMBQAJFIMCUOAT-UHFFFAOYSA-N 351.899 4.837 0 40 FJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1F 49005609 CXZKSWXOLKUYGE-UHFFFAOYSA-N 366.440 4.611 0 40 FJAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349642 HXROIYQMCMNXGU-IBGZPJMESA-N 366.480 4.708 0 40 FJAB Cc1ccc(CN2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1C 72376437 GMRXBCYYNSDXSO-OAQYLSRUSA-N 373.504 4.878 0 40 FJAB CCSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344137 XGQGHUQHHAHRGC-GHMZBOCLSA-N 374.318 4.699 0 40 FJAB COc1ccc(Br)c(C=O)c1OCc1ccc(F)cc1Cl 95095011 XFZNMWGXFRAHOQ-UHFFFAOYSA-N 373.605 4.642 0 40 FJAB CN(Cc1ccc(Cl)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951871 ARARJJISSMNJMD-ZFWWWQNUSA-N 362.709 4.798 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224881587 KEGUBEQCFNTNSH-GFCCVEGCSA-N 353.340 4.554 0 40 FJAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225167389 ZPRBMRICZRCJQZ-IRXDYDNUSA-N 355.478 4.772 0 40 FJAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 225523834 JNODVNJDMMHOES-UHFFFAOYSA-N 368.424 4.979 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C 225666445 VEQGGFVNRDNFAF-SFHVURJKSA-N 360.542 4.511 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1snnc1-c1ccc(F)cc1 225779997 DWSNRNRSWWLAAD-UHFFFAOYSA-N 367.327 4.615 0 40 FJAB Cc1ccc(OCCCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 225800252 CXJCVSHVSIWVHR-UHFFFAOYSA-N 367.474 4.620 0 40 FJAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 390830379 KRPJDWXFXKXXKN-CYBMUJFWSA-N 360.445 4.627 0 40 FJAB COc1ccc([C@H](NC(=O)[C@@H](CC(C)C)n2cccc2)C(C)C)cc1OC 524733925 DZUNKZZWPJJZSG-WIYYLYMNSA-N 372.509 4.606 0 40 FJAB C[C@H](S[C@H]1CCO[C@H]1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 533169499 POULPECBIKKTSH-DOXZYTNZSA-N 357.475 4.717 0 40 FJAB CCc1nc(-c2ccc(OC)cc2OCc2ccccc2)ccc1C(=O)O 585266002 YBZHUEIMXKWZPG-UHFFFAOYSA-N 363.413 4.597 0 40 FJAB COc1ccccc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 5827169 YITUJOYFNSMGEE-UHFFFAOYSA-N 357.413 4.571 0 40 FJAB COc1cc(CNCC(C)C)ccc1OCc1c(F)cccc1Cl 6883575 ZIOQXCRQFSIITQ-UHFFFAOYSA-N 351.849 4.812 0 40 FJAB CCCNC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(C)cc3)c12 7822099 DQHGHIOSQKGFCD-ZDUSSCGKSA-N 371.531 4.674 0 40 FJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 7929267 ACRPHAXFKVKZIG-AEFFLSMTSA-N 365.473 4.775 0 40 FJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 8049404 JOVVAVIIVWXPHL-MRXNPFEDSA-N 363.413 4.894 0 40 FJAB Cc1ccccc1OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 8115206 RSZWUIDADFGUOH-JOCHJYFZSA-N 363.482 4.610 0 40 FJAB CC(C)n1ncc2c(C(=O)N[C@@H]3CCCc4ccccc43)cc(C3CC3)nc21 8344569 HOWPZZFCPPDFFF-HXUWFJFHSA-N 374.488 4.697 0 40 FJAB COc1cccc(-c2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1 8733882 XRMOBZXHHUDSTK-UHFFFAOYSA-N 352.459 4.617 0 40 FJAB COc1ccccc1Nc1nc(Nc2cccc(SC)c2)ncc1F 9273523 IVZWSUIKSIXQKV-UHFFFAOYSA-N 356.426 4.833 0 40 FJAB Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1cccs1)C2 10156651 ZXEGCPSBDVSAAX-LBPRGKRZSA-N 353.422 4.642 0 40 FJAB CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 10215094 FSTNLUTUWKLVTD-FYYLOGMGSA-N 371.440 4.723 0 40 FJAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1 11914161 FXNRNLMJIDAEIL-UHFFFAOYSA-N 371.824 4.821 0 40 FJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2cccnc2)oc2c(C)cccc12 12148277 OYTZTITWABAIFD-FQEVSTJZSA-N 356.425 4.964 0 40 FJAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1 12438474 AMYMIUJSHXSOSX-LURZSEBBSA-N 366.486 4.637 0 40 FJAB COC[C@H](C)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1 12648301 IKPYRCDPFXXXEC-XJGUCPAXSA-N 360.429 4.935 0 40 FJAB CCCc1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1CCCC2 13207233 OCQZUBGYXQBGBU-UHFFFAOYSA-N 373.460 4.609 0 40 FJAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(OCc2ccccc2Cl)cc1 13687560 GZOIADSRYIUVIJ-YYFZDKIDSA-N 355.865 4.837 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 14036316 UMFWMKCSJVHLLT-GOSISDBHSA-N 361.441 4.980 0 40 FJAB Cc1ccc(/C=C/c2nnc(SCCCC(=O)c3ccc(F)cc3)[nH]2)o1 14199546 REIWODWWLDJWTK-ZHACJKMWSA-N 371.437 4.771 0 40 FJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 14257222 IMTNTMNFLKOBNE-UHFFFAOYSA-N 367.470 4.683 0 40 FJAB COc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c(OC)c1 14673865 UQAVZFKMFZHMAE-UHFFFAOYSA-N 367.376 4.888 0 40 FJAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(F)cc2F)n1 15637360 QVEPDEFCMRROGX-UHFFFAOYSA-N 360.385 4.658 0 40 FJAB CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 15963009 RTOLIXIIFRNLGN-UHFFFAOYSA-N 372.468 4.530 0 40 FJAB COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1Cl 20142532 DBMBHTMFCFBQDP-UHFFFAOYSA-N 374.607 4.606 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 20144906 SEFNLTCBKLZEBX-UHFFFAOYSA-N 367.445 4.758 0 40 FJAB CN(C)CCNCC[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 20588731 PZBWXTCPMCQDAJ-KRWDZBQOSA-N 365.348 4.861 0 40 FJAB CSc1ccccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 21122713 FVBMKKPXKBMHIT-UHFFFAOYSA-N 373.865 4.683 0 40 FJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 22464609 OHDIIODONYOGSF-UHFFFAOYSA-N 350.462 4.572 0 40 FJAB O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=S)N1c1ccccc1 28405752 ORZUHKYELSUTSM-HXUWFJFHSA-N 358.466 4.562 0 40 FJAB C[C@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)n1cnc2ccccc21 32914279 JTSUDDIDMWRRNQ-DOMZBBRYSA-N 371.893 4.604 0 40 FJAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12 40092873 DPFALTRSWVGDCG-UHFFFAOYSA-N 357.413 4.851 0 40 FJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc(F)ccc2F)s1 43277878 MMLFJPUYDSEOCT-UHFFFAOYSA-N 361.461 4.624 0 40 FJAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cc2c(ccc3ccccc32)o1 44947939 QWIQHPQNYYXSDW-UHFFFAOYSA-N 367.408 4.702 0 40 FJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 56386629 PHERTUOYMINDOO-KGLIPLIRSA-N 373.884 4.762 0 40 FJAB CN(C)c1c(F)cc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1F 57996309 KQKNSZYGDHPGSK-UHFFFAOYSA-N 363.166 4.729 0 40 FJAB Cc1nnc(SCc2c(C(=O)NC3CCCC3)oc3ccccc23)s1 58216796 IJTRGTOROUQEMX-UHFFFAOYSA-N 373.503 4.557 0 40 FJAB CCOC(=O)c1ccc(Nc2ccnc3cc(Cl)c(OC)cc23)cc1 64874609 XHODRVWNLBEBDG-UHFFFAOYSA-N 356.809 4.817 0 40 FJAB Cc1ccc(-c2nnc3sc(COc4cccc5ccccc45)nn23)cc1 72333602 AUEFXBUADONIIK-UHFFFAOYSA-N 372.453 4.893 0 40 FJAB Cc1ccccc1-c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 75134648 KYFRRMPZZSIZRC-UHFFFAOYSA-N 354.837 4.795 0 40 FJAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@@H]1Cc1ccccc1 84061830 XJYHHCVEJMZOAG-HXUWFJFHSA-N 360.457 4.887 0 40 FJAB C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1N(C)C1CCCC1 84661079 LQIQUCDWJXTPLK-INIZCTEOSA-N 352.482 4.685 0 40 FJAB Cc1c(COc2ccccc2)cccc1NCc1ccc([S@@](C)=O)cc1 85331323 MXFBVWZZAKKYEM-SANMLTNESA-N 365.498 4.924 0 40 FJAB C[C@H](NC(=O)c1cccnc1Sc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104751020 VIAOOBZFTHUCMZ-IUVQAAGXSA-N 352.503 4.787 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)cc1 113956430 GTTYLPPHKMMBPF-IBGZPJMESA-N 361.869 4.601 0 40 FJAB COc1ccccc1OCC(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206877970 MCOCIJTUJSCPKW-QGZVFWFLSA-N 373.880 4.524 0 40 FJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 216280964 RDICPRPOPJFPCR-QGZVFWFLSA-N 359.897 4.782 0 40 FJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 224472024 OCXOPXHFMBLHGH-QGZVFWFLSA-N 355.478 4.891 0 40 FJAB CCCNC(=O)c1ccc(OCC)c(COc2ccc(Cl)c(C)c2)c1 224539610 YUKZILZSXIOAEX-UHFFFAOYSA-N 361.869 4.766 0 40 FJAB O=C(CCSCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 224877571 KYZURTSKUVMUSD-UHFFFAOYSA-N 355.381 4.847 0 40 FJAB Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)c(Cl)c1 224995234 YQGLLVIVWCFWCE-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1 225866408 AOMTWPZRQQHJQO-UHFFFAOYSA-N 352.478 4.938 0 40 FJAB Oc1cccc2c1OC1(CCN(CC3CCCCC3)CC1)[C@H]1CCCO[C@H]21 257259031 KWNPORGABZTQFR-PZJWPPBQSA-N 371.521 4.667 0 40 FJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(CC(C)C)c1C 500178665 HGLHWVUVEJVSKE-UHFFFAOYSA-N 372.856 4.717 0 40 FJAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ncccc1OCc1ccccc1 616224021 PFBMFBGITBBIPN-PXNSSMCTSA-N 372.415 4.815 0 40 FJAB Fc1cc(Br)cnc1NCc1cccc(-c2cccnc2)c1 681395207 ADPXILIKXRDSDO-UHFFFAOYSA-N 358.214 4.657 0 40 FJAB Cc1cc(C)n(-c2ccccc2NC(=O)Nc2c[nH]nc2-c2ccccc2)n1 1672894392 KMGNJGPMRWDVCI-UHFFFAOYSA-N 372.432 4.523 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1I 826244 YJVKAJMGTHAZQO-UHFFFAOYSA-N 371.605 4.505 0 40 FJAB COc1ccccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 1263227 IJYGUUILSCMZPF-BQYQJAHWSA-N 352.217 4.663 0 40 FJAB O=C1O[C@@H](C(=O)Nc2ccc(/C=C/c3ccccc3)cc2)Cc2ccccc21 1887406 KQHAFLRWOLGSGE-NELJVSICSA-N 369.420 4.577 0 40 FJAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1Cl)C3 2122684 YHEAVHNVTKELKQ-UHFFFAOYSA-N 362.212 4.765 0 40 FJAB biogenic COc1ccccc1CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 2628779 NEEOMSKFXBZVRM-UHFFFAOYSA-N 374.412 4.668 0 40 FJAB Cc1cc(C)c(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)c1 3329234 VPPRSSGWFZEXBK-UHFFFAOYSA-N 368.448 4.989 0 40 FJAB COc1ccc(CCC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 3334411 URQLVTDPUPHWNT-UHFFFAOYSA-N 352.459 4.758 0 40 FJAB CCOC(=O)c1c(NC(=O)/C(C)=C/c2ccccc2)sc2c1CCCC2 3346412 KFYWQJORFLQWEE-BUHFOSPRSA-N 369.486 4.846 0 40 FJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccoc1C 4103895 XXMTZYVEADSUJT-UHFFFAOYSA-N 355.415 4.746 0 40 FJAB Clc1ccccc1CSc1ncnc2c1cnn2-c1ccccc1 5577339 ULQKWGXBPANEBI-UHFFFAOYSA-N 352.850 4.761 0 40 FJAB COc1ccc2nc(SCC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 5595684 DUOZBTZJFDRYEY-UHFFFAOYSA-N 367.257 4.853 0 40 FJAB Cc1ccc(S(=O)(=O)N(c2ccc(C)c(C)c2)c2ccccn2)cc1 6140769 IRFCJTUBKMROGM-UHFFFAOYSA-N 352.459 4.534 0 40 FJAB COc1ccc(Nc2nnc(SC[C@H]3CC3(Cl)Cl)s2)cc1 6984464 AJUYWFXXLPIRSR-MRVPVSSYSA-N 362.307 4.576 0 40 FJAB CCOc1ccc2oc(C(=O)Nc3cc(OC)c(OC)cc3C)c(C)c2c1 8132241 VWYIVZCETVXOTP-UHFFFAOYSA-N 369.417 4.718 0 40 FJAB C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 9536165 JZHZQOFJVFGOPA-QAPCUYQASA-N 367.518 4.945 0 40 FJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1cccs1 12769211 JUICIVBKKLBQFE-LBPRGKRZSA-N 356.472 4.553 0 40 FJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12852062 AGIBNQKBXNHPPP-QPJJXVBHSA-N 370.455 4.530 0 40 FJAB O=c1cc(COc2ccc(Cl)cc2)nc2scc(-c3ccccc3)n12 13367486 KRVYXYKMARBPQW-UHFFFAOYSA-N 368.845 4.655 0 40 FJAB CCOc1ccc(-n2c(-c3cc(Cl)ccc3OC)n[nH]c2=S)cc1 13547454 AXHIXFZNDWTLFW-UHFFFAOYSA-N 361.854 4.658 0 40 FJAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)cc1 15729448 ZSKVSDVNCBNNGZ-UHFFFAOYSA-N 370.408 4.928 0 40 FJAB biogenic COc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1O 19983479 XRUUZMUOWLFEMP-UHFFFAOYSA-N 356.647 4.737 0 40 FJAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)c1c[nH]c2ccccc12 25175558 KNENVHMOJRMYJJ-OAHLLOKOSA-N 358.445 4.654 0 40 FJAB CCC(CC)C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27747536 XNLXGSGSALUNCM-FQEVSTJZSA-N 364.489 4.861 0 40 FJAB CCOc1cc(/C=C/C(=O)OCc2cccc(C)c2)cc(Cl)c1OC 32691713 ZWGRTGOKLBFEFB-CMDGGOBGSA-N 360.837 4.812 0 40 FJAB COc1cc(OC)c(N[C@@H](C)c2nnc(-c3cccs3)o2)cc1Cl 32806143 GNLBCNPCPYSNKG-VIFPVBQESA-N 365.842 4.642 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 32901932 UOEFYCACGQWGOT-UHFFFAOYSA-N 372.255 4.799 0 40 FJAB COc1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1Cl 36359527 DALSYCLTWYPKJP-UHFFFAOYSA-N 359.813 4.569 0 40 FJAB O=C(CCC(=O)N1CCC[C@@H]1c1ccsc1)c1ccc2c(c1)CCC2 46843505 LRIVMFATESNEES-LJQANCHMSA-N 353.487 4.563 0 40 FJAB O=C(CCc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357759 GKUKYGJBPLUYNE-DEOSSOPVSA-N 370.496 4.969 0 40 FJAB Clc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72359398 KKHADVPISYHYTB-GOSISDBHSA-N 364.880 4.572 0 40 FJAB Cc1cc(C)c2c(N)c(-c3cc(=O)oc4cc(O)c(Cl)cc34)sc2n1 100756620 PQUDMONMGVJUMP-UHFFFAOYSA-N 372.833 4.628 0 40 FJAB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1OC 107730277 XACCFZIQMOYEAX-UHFFFAOYSA-N 374.868 4.600 0 40 FJAB CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1C 108287812 IRWUAOJEXXBNLL-IBGZPJMESA-N 363.461 4.683 0 40 FJAB Cc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 216867366 DHQWCSVVTYPRSS-IRXDYDNUSA-N 351.494 4.905 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 224045208 TWRAHFXXMWHPMJ-IBGZPJMESA-N 369.505 4.698 0 40 FJAB CCCCNC(=O)c1ccc(OCC)c(COc2ccccc2Cl)c1 224474437 JQSGDMMGULXFPX-UHFFFAOYSA-N 361.869 4.848 0 40 FJAB COc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1Cl 225122901 BJDPBFASWMDJHM-SFHVURJKSA-N 362.853 4.721 0 40 FJAB COc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1Cl 225523403 JPRPUFHZLQLJCZ-UHFFFAOYSA-N 364.898 4.622 0 40 FJAB Cc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1 408613745 ZXDOYTDKEQUGJR-UHFFFAOYSA-N 362.517 4.513 0 40 FJAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 409174843 VYBMVOIICHIIMG-UHFFFAOYSA-N 361.466 4.957 0 40 FJAB Fc1ccc(-c2nc(-c3nc(-c4n[nH]c5ccccc45)no3)cs2)cc1 545710285 PLXUFAUMRNJQEP-UHFFFAOYSA-N 363.377 4.543 0 40 FJAB O=C(NCc1ccc(-c2ccco2)o1)Nc1ccccc1C(F)(F)F 575611004 SDFACIMRIMQYMF-UHFFFAOYSA-N 350.296 4.880 0 40 FJAB Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2cc3c(C)nn(C)c3s2)cc1 1269820714 VHVBVXIQUHMECT-WBVHZDCISA-N 354.475 4.745 0 40 FJAB COc1cc(C(=O)N2c3ccccc3C(C)=CC2(C)C)cc(OC)c1OC 1087493 DXGWGJHXOGEAPN-UHFFFAOYSA-N 367.445 4.555 0 40 FJAB biogenic,in-vitro COc1ccccc1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 1222373 XPMMFNRHSHCPJT-UHFFFAOYSA-N 363.442 4.601 0 40 FJAB O=C(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1 1326713 WBVJFGAFKVULPZ-UHFFFAOYSA-N 356.878 4.970 0 40 FJAB Cc1ccccc1CN(Cc1ccco1)C(=O)c1cc2ccccc2oc1=O 1330129 ARZGUBUVHBFKIZ-UHFFFAOYSA-N 373.408 4.537 0 40 FJAB CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)o1)OCC 1860590 VUNZVDNKOMJTCK-UHFFFAOYSA-N 368.303 4.812 0 40 FJAB COC(=O)c1sc2cc(NC(=O)c3ccccc3C)ccc2c1Cl 2793845 RRRDLMLSGUKVIJ-UHFFFAOYSA-N 359.834 4.902 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 3238578 ZWNVEGFTJHUKKD-UHFFFAOYSA-N 359.853 4.741 0 40 FJAB Fc1ccc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 3894542 PQDOHPTXMGWBDW-UHFFFAOYSA-N 353.344 4.975 0 40 FJAB Cc1ccc(-c2coc3c2c(C)cc2oc(=O)c(CC(=O)O)c(C)c23)cc1 4540390 QVJHXRFHCLZGEE-UHFFFAOYSA-N 362.381 4.759 0 40 FJAB Cc1cc(NC(=O)c2ccccc2F)cc(-c2nc3ccccc3o2)c1O 4988520 QKNPFHWFLUCXKQ-UHFFFAOYSA-N 362.360 4.900 0 40 FJAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)o2)c1 5794921 MVIJYYVYRSXTKA-XHSDSOJGSA-N 373.522 4.624 0 40 FJAB OCCn1c(COc2cc(Cl)ccc2Cl)nc2ccc(Cl)cc21 6982906 ZVBFJLMXYZXCQM-UHFFFAOYSA-N 371.651 4.568 0 40 FJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1C 7957173 GENVZCAJIGZDBK-IBGZPJMESA-N 354.837 4.551 0 40 FJAB CCOc1ccc(Nc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1 9264701 IVYKXMSWNLLZOL-UHFFFAOYSA-N 367.474 4.513 0 40 FJAB Cc1ccc(N2C[C@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1C 9320912 SIPJHJCMANRXLG-CQSZACIVSA-N 367.836 4.527 0 40 FJAB C[C@@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@@H]12 9356585 ORYWHTWXSGORLG-BPHWJHEYSA-N 371.521 4.505 0 40 FJAB C[C@H](C(=O)NCc1ccco1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420194 BFHLFWNGJMJDGJ-LBPRGKRZSA-N 352.821 4.987 0 40 FJAB CCOCc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2ccccc12 9530910 FDQFQRHHFTUGEK-UHFFFAOYSA-N 373.792 4.604 0 40 FJAB CN(Cc1nc2ccccc2s1)C(=O)Nc1nc2ccccc2s1 9977332 WEBVDGKRLBNPML-UHFFFAOYSA-N 354.460 4.570 0 40 FJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544453 OSEHMLVORKGHND-LBPRGKRZSA-N 374.271 4.890 0 40 FJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)c1ccccc1 12374332 NDJFXUGRTVIZFQ-HNNXBMFYSA-N 359.425 4.542 0 40 FJAB Cc1cc(NC(=O)C2CCCC2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12441980 KBYHYCKDIZKXSZ-UHFFFAOYSA-N 370.453 4.572 0 40 FJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1Cl)O[C@H](C)C2 12536565 HHMJKUAQFQSGDH-OLZOCXBDSA-N 374.868 4.501 0 40 FJAB Cc1ccc(CNC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1F 12780906 KLJBOQMFBIHZDP-UHFFFAOYSA-N 374.868 4.770 0 40 FJAB COc1cc(OC)c(NCc2cc3cc(C)ccc3[nH]c2=O)c(C(C)C)c1 13563607 MOUZZZYDLLLOMB-UHFFFAOYSA-N 366.461 4.589 0 40 FJAB Clc1ccccc1-c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13728392 RXLKQSWUPXGBOW-UHFFFAOYSA-N 363.833 4.721 0 40 FJAB Cc1ccc(-c2nnc(C3CCN(Cc4cccc(F)c4)CC3)o2)s1 19217851 NTOXVTHJUHTEFY-UHFFFAOYSA-N 357.454 4.625 0 40 FJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OC(C)C)cc1 20141856 JVILXZMMUYEULZ-UHFFFAOYSA-N 365.429 4.787 0 40 FJAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 20632786 NJXLHPSLEYQRFN-CQSZACIVSA-N 354.812 4.886 0 40 FJAB COc1ccc(CCNC(=O)CCCSc2ccc(Cl)cc2)cc1 20816442 KUQLYHKLWOWZLB-UHFFFAOYSA-N 363.910 4.580 0 40 FJAB CCOc1ccc(C(=O)CN(C2=NCC[C@@H](C)CC2)c2ccccc2)cc1 27526044 SIJMBMAUUQPXSA-SFHVURJKSA-N 364.489 4.993 0 40 FJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N(Cc1ccco1)Cc1ccco1 30471506 WKYBIJPFTULZSV-SOFGYWHQSA-N 359.784 4.907 0 40 FJAB C[C@@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl 32937453 RVMBQMFUNIBPPN-XMHCIUCPSA-N 356.318 4.794 0 40 FJAB CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38835265 JBFLJYAULQGANJ-SFHVURJKSA-N 356.897 4.753 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 39751118 RWQZOOFXOVKFPD-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1c(Cl)cccc1Cl 41001899 XNVHUCOYZQKMHR-UHFFFAOYSA-N 362.216 4.615 0 40 FJAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078420 YZMHZELQXUQFOA-UHFFFAOYSA-N 374.415 4.671 0 40 FJAB O=C(Nc1ccc(Cl)cc1)[C@H](NCc1ccccc1)c1ccccc1 55301140 JGWHUIPFOFUBJC-HXUWFJFHSA-N 350.849 4.810 0 40 FJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)c1cccc(Cl)c1 57543159 JKGXZGHHRXWEKP-CYBMUJFWSA-N 371.868 4.880 0 40 FJAB COCCCSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 59123454 KUBPYBISKUXQDP-UHFFFAOYSA-N 357.454 4.510 0 40 FJAB CC(C)Oc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)no2)cc1 61997132 MOHBJGZGYNLRGA-HNNXBMFYSA-N 350.418 4.620 0 40 FJAB O=C(CC(=O)c1ccccc1)C[C@@](O)(/C=C/c1ccccc1)c1ccccc1 101857792 MUWXSVQCTMZWEZ-OSBDDZKNSA-N 370.448 4.820 0 40 FJAB CCCn1cc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)ccc1=O 110229736 FAUYTZSBPDVRPH-UHFFFAOYSA-N 366.848 4.831 0 40 FJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)cc1 113956431 GTTYLPPHKMMBPF-LJQANCHMSA-N 361.869 4.601 0 40 FJAB CSCc1cccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1C 116674116 HUZKTOKTLFAUJQ-UHFFFAOYSA-N 373.861 4.870 0 40 FJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 220013476 GKGRDCFSONJOKG-UHFFFAOYSA-N 359.853 4.868 0 40 FJAB CCOc1ccc(C(=O)NC(C)C)cc1COc1ccc2ccccc2c1 224637935 PQHIQIHZXMDJLQ-UHFFFAOYSA-N 363.457 4.956 0 40 FJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCC2)cc1 224924912 PIUUSJYKKWDESM-FQEVSTJZSA-N 352.478 4.700 0 40 FJAB CCn1c(=O)sc2cc(NC(=O)C3(c4ccccc4)CCCC3)ccc21 225124756 TYOBLUYMVSWIFZ-UHFFFAOYSA-N 366.486 4.533 0 40 FJAB COc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 225172894 SPQPEKXDUHTVOA-UHFFFAOYSA-N 360.457 4.561 0 40 FJAB CCOc1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225589942 GCOLXESXTLZROF-UHFFFAOYSA-N 352.569 4.828 0 40 FJAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1F 225874859 LKSCSBJBNCPKHH-UHFFFAOYSA-N 365.901 4.850 0 40 FJAB COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccsc1)c1cccs1 390826392 JTVIQKXBLFISOF-INIZCTEOSA-N 363.891 4.991 0 40 FJAB Fc1ccccc1-c1nc(-c2nc(-c3n[nH]c4ccccc34)no2)cs1 545710752 XUXFVLVRJDSWLF-UHFFFAOYSA-N 363.377 4.543 0 40 FJAB CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c(O)c1 644132892 WIVNPYOYGWVMQZ-KRWDZBQOSA-N 369.465 4.534 0 40 FJAB O=C(NCC(c1ccco1)c1ccco1)c1cc(Cl)ccc1Cl 952965144 TUQFKVUNDSYFCN-UHFFFAOYSA-N 350.201 4.741 0 40 FJAB COc1ccc(CN[C@H](C)c2ccc(Oc3cccnc3)cc2)c(F)c1 1560463811 GIFDFJLBOVBSQQ-OAHLLOKOSA-N 352.409 4.872 0 40 FJAB CCN(CC)C1=NCCCCCCOc2ccccc2Oc2ncccc21 1615128864 ZBPNEEBPBDZHLK-UHFFFAOYSA-N 367.493 4.915 0 40 FJAB O=c1[nH]c(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCCC3 646239 LTUDVGPYOUAZKV-UHFFFAOYSA-N 362.907 4.809 0 40 FJAB Cc1cccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc12 977022 BKSXTLAKKAGZAN-UHFFFAOYSA-N 373.481 4.933 0 40 FJAB aggregator CC1(C)C[C@@H]([C@@H](CCNC(=O)c2cccs2)Cc2ccccc2)CCO1 1322367 WJCLVGYMVXGTON-OALUTQOASA-N 371.546 4.932 0 40 FJAB biogenic CCn1c(COc2ccccc2)nnc1SCc1cc(C)ccc1C 2446555 VWVFMUFTBMBCLT-UHFFFAOYSA-N 353.491 4.786 0 40 FJAB COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(Br)cc1 3552022 UPKHWAQEHUTQTB-UHFFFAOYSA-N 368.658 4.601 0 40 FJAB CCCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3991768 UPYOVQSQECWAQI-UHFFFAOYSA-N 368.296 4.593 0 40 FJAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@@H](C)C4)cc1 5234971 TXUOCPJWCZLUNU-CQSZACIVSA-N 369.486 4.975 0 40 FJAB CC(C)(C)P(=NC(=O)C(F)(F)F)(N1CCCCC1)N1CCCCC1 5496356 YEXHCKIHNYCVBF-UHFFFAOYSA-N 367.396 4.877 0 40 FJAB Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2Br)c1 5724837 ZVHTVKBJZBUCEB-UHFFFAOYSA-N 368.658 4.737 0 40 FJAB CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccccc32)cc1 6481003 HMIAHUAMJGPZKI-UHFFFAOYSA-N 370.456 4.694 0 40 FJAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(OCc2ccccc2)c1 6495936 LHJIRLMBYWGHAI-UHFFFAOYSA-N 371.392 4.624 0 40 FJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCC2 6649588 PRVCBFGNEZUENH-LLVKDONJSA-N 350.245 4.888 0 40 FJAB Cc1[nH]c2ccc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)cc2c1C 6664042 SSCCUDBBYWDOBE-FQEVSTJZSA-N 360.461 4.788 0 40 FJAB COc1ccccc1Nc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 7278898 GGDWMQUNGDXWFI-UHFFFAOYSA-N 353.447 4.829 0 40 FJAB O=C(CSc1ccc(-c2ccccc2)nn1)Nc1cccc(Cl)c1 7444861 JACPMGVEGRRVGY-UHFFFAOYSA-N 355.850 4.528 0 40 FJAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1 7614628 ZJOKGNSIWYUWAV-UHFFFAOYSA-N 366.486 4.952 0 40 FJAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCSc2ccccc21 7988622 KHNWPFHTMKHTCX-AWEZNQCLSA-N 354.500 4.582 0 40 FJAB Cc1nc(-c2ccc3c(c2)CCN3c2ncnc3sccc23)cs1 7989441 DAXVCIPGXFKVQH-UHFFFAOYSA-N 350.472 4.817 0 40 FJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1Cl 8041660 RAJJVWTZNIZGBR-CYBMUJFWSA-N 354.233 4.798 0 40 FJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccc3)ccc1O2 9135403 YNLKNMDNIFNJEZ-UHFFFAOYSA-N 358.397 4.630 0 40 FJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)c(Cl)c1 10491061 KIMRRBWAOKHAAP-UHFFFAOYSA-N 362.763 4.845 0 40 FJAB O=C(CNc1ccc(Cl)cc1F)N[C@H](c1ccccc1)c1cccs1 11159826 WOGRPVZKEHPESA-LJQANCHMSA-N 374.868 4.858 0 40 FJAB CCN(CC)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12608870 ZITYKQIBNAYSJS-SFHVURJKSA-N 358.482 4.639 0 40 FJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(C)=O)s2)cc1 12925823 AJLPCELMPQICDW-QGZVFWFLSA-N 357.475 4.717 0 40 FJAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(F)cc3)n2C)cc1 13871194 VJUYXSZJPRLIOZ-AWEZNQCLSA-N 371.481 4.949 0 40 FJAB O=C1C[C@@H](c2ccsc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082332 NUSAWMDTTCVQHF-LBPRGKRZSA-N 373.430 4.788 0 40 FJAB Cc1c(C(=O)N2CCCCCC2)sc2nc(-c3ccc(F)cc3)cn12 16992431 DBEQVJNMLDLRCC-UHFFFAOYSA-N 357.454 4.527 0 40 FJAB Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4F)CC3)o2)s1 19217861 KBGOXZNZIQLKIF-UHFFFAOYSA-N 357.454 4.625 0 40 FJAB CCOP(=O)(OCC)[C@H](NCc1ccccc1)c1ccccc1F 20267039 FABJBVXRSBUDSC-SFHVURJKSA-N 351.358 4.880 0 40 FJAB COc1cccc(NC(=O)c2cccnc2Nc2ccccc2Cl)c1 22072107 ZLEFHDJTPAZZNE-UHFFFAOYSA-N 353.809 4.740 0 40 FJAB CC(C)n1nccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 22288731 QELSGMSUVTVAOE-UHFFFAOYSA-N 356.429 4.932 0 40 FJAB O=C1CCCCC[C@H]1Sc1nccn1-c1ccc(Br)cc1 26047031 IIZDHHUABYXTBQ-OAHLLOKOSA-N 365.296 4.629 0 40 FJAB O=c1c2ccccc2nc(SCCc2ccccc2)n1C1CCCC1 26947560 ZUAZNNISEJGSDR-UHFFFAOYSA-N 350.487 4.846 0 40 FJAB COc1ccc(-c2noc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 28224798 ADLAGLFELMETNO-UHFFFAOYSA-N 356.325 4.507 0 40 FJAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 28287019 JMJXWGBPXZQZDD-NSHDSACASA-N 368.820 4.879 0 40 FJAB CC(=O)Nc1cccc(Nc2nnc(SCc3ccccc3C)s2)c1 28968837 UDFMEOHEHLNCBC-UHFFFAOYSA-N 370.503 4.841 0 40 FJAB O=C(CSCc1nc2ccccc2s1)N(Cc1ccccc1)C1CC1 31086064 BGAKBDVERCEIHM-UHFFFAOYSA-N 368.527 4.721 0 40 FJAB COc1ccc([C@H](Nc2ccccc2C)C(=O)NC2CCCCC2)cc1 35311034 GGYBDZYYHHCOIY-NRFANRHFSA-N 352.478 4.606 0 40 FJAB Cc1ccccc1-c1csc(NC(=O)c2oc3c(c2C)C(=O)CCC3)n1 40133853 OXEZYRGXQUMNKL-UHFFFAOYSA-N 366.442 4.791 0 40 FJAB CCSCc1ccc(C(=O)OCc2c(Cl)nc3sccn23)cc1 40157148 DRMVOSWJLMMVRC-UHFFFAOYSA-N 366.895 4.659 0 40 FJAB O=C(OCc1cccc2cccnc12)c1cccnc1Nc1cccc(F)c1 51744812 QFFRSJUAKVARCP-UHFFFAOYSA-N 373.387 4.870 0 40 FJAB O=C(NC[C@@H](O)c1cccc2ccccc12)Nc1ccccc1C(F)(F)F 70636309 IRJPMVZJLRWBDP-GOSISDBHSA-N 374.362 4.714 0 40 FJAB C[C@H](Oc1cccnc1NC(=O)c1ccc(F)cc1F)c1ccccc1 75104480 JFFCGIWYFHQEPU-ZDUSSCGKSA-N 354.356 4.752 0 40 FJAB O=C(Nc1ccccc1C(=O)Nc1cc(Cl)ccc1O)c1cccs1 95954819 IDSIATRZDUQLKD-UHFFFAOYSA-N 372.833 4.612 0 40 FJAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(Cl)c1Cl 96586363 MGQWJJLAEUETHB-UHFFFAOYSA-N 350.245 4.890 0 40 FJAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 98212171 OHQKGQRCDGGTKU-INIZCTEOSA-N 371.799 4.506 0 40 FJAB CC(C)c1ccc(C2=C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 102048034 IJDOXAOCUYRYOY-SFHVURJKSA-N 351.841 4.506 0 40 FJAB CC(C)(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 107058393 DIIQOPSZCORXRW-UHFFFAOYSA-N 353.487 4.616 0 40 FJAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2c1 222955033 NVQHNFMJBJXTCF-INIZCTEOSA-N 369.486 4.505 0 40 FJAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COC(C)C 224426033 VBWXATZRNBIQLE-UHFFFAOYSA-N 367.367 4.891 0 40 FJAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 224604795 AGBDOIKEXDJTPO-GOSISDBHSA-N 369.505 4.563 0 40 FJAB C[C@@H](COc1ccccc1)NC(=O)CCc1c(Cl)cccc1Cl 225363414 BOQIIFUKEGXPAD-ZDUSSCGKSA-N 352.261 4.510 0 40 FJAB COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(N)c1 226348345 RRLKPYWIVSPVBB-UHFFFAOYSA-N 356.809 4.752 0 40 FJAB Cn1ncc(NC(=O)NCC(C)(C)c2ccc3ccccc3c2)c1C(F)F 626462145 KDVILRWRLXGGPH-UHFFFAOYSA-N 372.419 4.610 0 40 FJAB CC(=O)N1CCCCCCCN(C(=O)CCC2CCC2)Cc2ccccc21 643553282 IURUTKXMKHKKQQ-UHFFFAOYSA-N 370.537 4.913 0 40 FJAB Cn1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c2cc(F)ccc21 1568356819 UVJMDWRHOKOLSD-SAZUREKKSA-N 356.828 4.647 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 1616386768 UTYCKKMQUTUAOB-UHFFFAOYSA-N 359.351 4.760 0 40 FJAB CCOc1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 881527 YNPZRIZGCWUNET-UHFFFAOYSA-N 350.443 4.560 0 40 FJAB CCc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1 1436710 CBLJKFNADZQPPM-UHFFFAOYSA-N 368.527 4.930 0 40 FJAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Cl)cc3)c12 2151415 RDBVDHUEGMBRGV-UHFFFAOYSA-N 356.805 4.579 0 40 FJAB biogenic Cc1cc(OCCSCc2cc(=O)n3ccsc3n2)ccc1C(C)C 2617510 OUGAMQXEHKUJHP-UHFFFAOYSA-N 374.531 4.500 0 40 FJAB CC[C@@]1(C)C[C@](CCNCc2ccc(OC)c(OC)c2)(C(C)C)CCO1 4073515 KTTAQLFNXHNCAF-FCHUYYIVSA-N 363.542 4.805 0 40 FJAB biogenic Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)CCC4)c(Cl)cc12 5040105 NJZKSWFMRIOHTF-UHFFFAOYSA-N 368.816 4.505 0 40 FJAB CCCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1Cl 5545875 UNOPFBAQNVLCDH-UHFFFAOYSA-N 369.896 4.587 0 40 FJAB COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1Cl 5960137 VMVFCOVITWBHQI-UHFFFAOYSA-N 354.631 4.672 0 40 FJAB CCc1cccc(OCC(=O)Nc2ccc(Br)cc2Cl)c1 6260037 RSEOORUNRCMXCY-UHFFFAOYSA-N 368.658 4.682 0 40 FJAB Fc1ccccc1OCCSc1nn(-c2ccccc2)c(=S)s1 6543273 JAVUFUCIBHGDCO-UHFFFAOYSA-N 364.492 4.973 0 40 FJAB Cc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCCC2)cc1 6923616 QRUMXEGIJTVYDR-SFHVURJKSA-N 371.506 4.567 0 40 FJAB Cn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2cccs2)c1=S 7143688 GRRVDRYXMUHYLP-OAHLLOKOSA-N 374.510 4.613 0 40 FJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 7247886 HPGLAIMLWRFYNN-UHFFFAOYSA-N 364.832 4.522 0 40 FJAB Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc2n1C 7365539 PFFSCAOFXYQSIZ-WQRHYEAKSA-N 364.426 4.846 0 40 FJAB CCC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 7506593 SHUSKNAFKKODHA-UHFFFAOYSA-N 365.429 4.601 0 40 FJAB Cc1cccc(Oc2ccccc2NC(=O)CCc2c(C)noc2C)c1 7778026 TVDDZCBMXFVYSH-UHFFFAOYSA-N 350.418 4.963 0 40 FJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)s1 8128975 XMLKSLPIUZYRGZ-UHFFFAOYSA-N 372.881 4.639 0 40 FJAB COc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)N3N=NNC3=N2)cc1 9013569 HSMULJIJZRRZDE-HNNXBMFYSA-N 374.231 4.641 0 40 FJAB Fc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccncc3)no2)cc1 12143943 DEGWBCZCEAMJND-HXUWFJFHSA-N 351.425 4.993 0 40 FJAB CC[C@H](C)NC(=O)c1cccnc1Sc1ccc(Br)cc1 12926954 LYIQEJLEALKVCN-NSHDSACASA-N 365.296 4.524 0 40 FJAB CCOc1ccc(CN(C)c2ncnc3sc4c(c23)CCCCC4)cc1 13040340 ZWZMITWWNQTDOV-UHFFFAOYSA-N 367.518 4.995 0 40 FJAB O=C(c1ccco1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 14094125 GFGXGWLKNVVMNH-UHFFFAOYSA-N 371.824 4.568 0 40 FJAB COc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 20900066 CZOITAVXFHJGFW-UHFFFAOYSA-N 371.396 4.665 0 40 FJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(O)c(Cl)c1 21205611 BKKBRMNKHYNJQZ-UHFFFAOYSA-N 359.809 4.730 0 40 FJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 22764544 UDMHERJVJSUIGK-UHFFFAOYSA-N 351.412 4.880 0 40 FJAB Clc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 24614157 MQZRQEPUCYBWCJ-UHFFFAOYSA-N 370.909 4.974 0 40 FJAB O=C(NOCc1ccccc1)c1ccc(-c2nc3ccccc3s2)s1 25037664 GNNVYGGCUDDDJO-UHFFFAOYSA-N 366.467 4.886 0 40 FJAB CC1CCN(Cc2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2)CC1 30940424 WFZQRQCFYHRCOD-UHFFFAOYSA-N 366.505 4.958 0 40 FJAB Cc1ccc2c(c1)OC=CC(C(=O)Nc1ncc(Cc3ccccc3)s1)=C2 33321295 ICSNAHPXHXMFET-UHFFFAOYSA-N 374.465 4.971 0 40 FJAB COc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(C(F)(F)F)c1 40096070 ORVCIKQLYJAWPX-GFCCVEGCSA-N 352.356 4.939 0 40 FJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)cc1 44880414 NREGCEYFVNFGJF-XLIONFOSSA-N 355.478 4.655 0 40 FJAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 44906419 GLFUXHZYEQQFMT-UHFFFAOYSA-N 370.924 4.689 0 40 FJAB Fc1ccc([C@H]2CN(Cc3cc(-c4ccc(Cl)cc4)no3)CCO2)cc1 48236053 PSBGVJIOIFFIOM-HXUWFJFHSA-N 372.827 4.708 0 40 FJAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 49549383 AORCFFWUMZDPJM-UHFFFAOYSA-N 350.447 4.620 0 40 FJAB CC[C@H](NC(=O)Nc1cccc2cccnc12)c1nc(-c2ccccc2)c[nH]1 58158089 ZTVJYXYURBUVGO-KRWDZBQOSA-N 371.444 4.898 0 40 FJAB CCn1cccc/c1=N\P(=O)(Oc1ccccc1)Oc1ccccc1 66089705 ZUPUMJMNFIIHPJ-FMQUCBEESA-N 354.346 4.675 0 40 FJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCCC1 72216097 NABXRRQBIZUEBW-HXUWFJFHSA-N 365.477 4.546 0 40 FJAB C[C@H](c1ncc(C(C)(C)C)o1)N(C)Cc1cc(Br)cs1 72311038 CJESDNSPJFEAEE-SNVBAGLBSA-N 357.317 4.989 0 40 FJAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4ccccc4)C3)n2)c1 72369947 NSDDVFNXBHCBQY-INIZCTEOSA-N 373.378 4.745 0 40 FJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccnc(Cl)c1 72402765 RTMZKUFWYYBBNS-UHFFFAOYSA-N 364.792 4.656 0 40 FJAB Cc1c([C@@H](C)NC(=O)c2csc(-c3ccccn3)n2)oc2ccccc12 84068159 LNTGPDCHPJTWGU-CYBMUJFWSA-N 363.442 4.751 0 40 FJAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 103047049 XZOWONVNGBYESD-ZTFGCOKTSA-N 352.405 4.788 0 40 FJAB COc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)cc1 197620413 TYQLYBCRPDGFFN-UHFFFAOYSA-N 374.849 4.843 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OC(C)C)CC(C)(C)O2 219744670 IPSUHKLOVNGSPO-GOSISDBHSA-N 353.462 4.814 0 40 FJAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C(C)C 222609867 MLYAJRIGQZEAAA-JVPBZIDWSA-N 354.523 4.670 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223092967 YZUGHUXJIFLDKY-HNNXBMFYSA-N 373.865 4.655 0 40 FJAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1 224087250 DIZLBCDDLQAVAR-UHFFFAOYSA-N 369.367 4.805 0 40 FJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1ccc(Cl)cc1 225286897 GLASDGQZVLAYSA-HNNXBMFYSA-N 357.881 4.645 0 40 FJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccnc2)cc1 225432592 CPSVVIKWGBPKGB-UHFFFAOYSA-N 354.793 4.788 0 40 FJAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 225453147 IKASVXPVMDVSKU-UHFFFAOYSA-N 367.518 4.866 0 40 FJAB Cc1ccc(NC(=S)NCCCSCc2ccco2)cc1Cl 225593477 UVCDQMUWDWQOMI-UHFFFAOYSA-N 354.928 4.851 0 40 FJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(F)c(F)c1)CC(C)(C)O2 225674714 XGDNNKZBXMGCMO-MRXNPFEDSA-N 362.445 4.862 0 40 FJAB Cc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1Cl 226271629 SGNFOMFBWKZZPZ-UHFFFAOYSA-N 368.742 4.982 0 40 FJAB CN(C)C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408975393 BAJYIFIYBVPQGS-UHFFFAOYSA-N 365.483 4.789 0 40 FJAB CC(C)(C)c1nc(SCC(=O)Nc2ccccc2F)c2ccccc2n1 1342500 QNVUDNWRUAPMLD-UHFFFAOYSA-N 369.465 4.797 0 40 FJAB CC(C)=C[C@@H]1[C@H](COCc2cc3c(cc2Br)OCO3)C1(C)C 1656194 GUGRQAIGZSOIMU-KGLIPLIRSA-N 367.283 4.933 0 40 FJAB COc1cc2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2cc1OC 1720383 ZNQIKHIJJNUERD-UHFFFAOYSA-N 359.381 4.770 0 40 FJAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 2062984 NNJNTBFHVZTRAK-UHFFFAOYSA-N 365.429 4.533 0 40 FJAB CCN(CC)CCOc1nc(-c2ccccc2)nc2c1oc1ccccc12 2364972 RPQLMMPFJFWEEW-UHFFFAOYSA-N 361.445 4.764 0 40 FJAB Cc1sc2ncnc(SCC(=O)c3ccc(F)c(F)c3)c2c1C 2618544 APQANALVKGJILZ-UHFFFAOYSA-N 350.415 4.561 0 40 FJAB CCc1cccc2c(C(=O)COC(=O)CCc3c[nH]c4ccccc34)c[nH]c12 2664237 NGCOISGELLYAFL-UHFFFAOYSA-N 374.440 4.570 0 40 FJAB O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(F)cc1 3084820 SPERHMGJZJEGMO-UHFFFAOYSA-N 374.415 4.770 0 40 FJAB CCCCN(CCCC)C(=O)c1cccc(NC(=O)c2ccccc2)c1 4702926 HHBHCOYNBSNADP-UHFFFAOYSA-N 352.478 4.981 0 40 FJAB Clc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)c(Cl)c1 6719380 NHSNWJMYKRSPCQ-QGZVFWFLSA-N 351.277 4.994 0 40 FJAB biogenic O=C(Cc1c[nH]c2ccccc12)O[C@@H](C(=O)c1ccccc1)c1ccccc1 7989916 SGXSDMMHZGGBAW-XMMPIXPASA-N 369.420 4.878 0 40 FJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 8220343 SBFGRDVZSZSSKI-NSHDSACASA-N 368.271 4.849 0 40 FJAB Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc1C 8334407 UGJKEOGCDFCZOH-UHFFFAOYSA-N 364.776 4.694 0 40 FJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(NC(C)C)s1 8750174 KOJNDUAPUWUTHD-LBPRGKRZSA-N 364.540 4.603 0 40 FJAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1 9350690 BKTNVMWBVAWCPV-QGZVFWFLSA-N 373.456 4.758 0 40 FJAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 9553859 XNRYWAARYGRZBL-IERDGZPVSA-N 374.440 4.813 0 40 FJAB O=C(c1cccc2cccnc12)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12144865 WXSSSAXCDSJAKP-CTXDPNEZSA-N 360.432 4.925 0 40 FJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(C)nc3)n2)cc1 12854844 MTFCEKQBKXHULR-UHFFFAOYSA-N 353.447 4.555 0 40 FJAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc(Cl)c1 12947526 AFEFYLIJBQHYGR-NSHDSACASA-N 362.907 4.945 0 40 FJAB CCOC(=O)/C=C/c1ccc(NC(=O)CCCSc2ccccc2)cc1 18239364 VACCYOSVWGVTTA-NTCAYCPXSA-N 369.486 4.774 0 40 FJAB Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19597039 VOSYQVWUZLMYLT-UHFFFAOYSA-N 370.496 4.542 0 40 FJAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)cc1 19927339 QKTOOQSQTPZKJN-UHFFFAOYSA-N 368.458 4.549 0 40 FJAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 20104819 URRPAPLQLROYMF-JXPAYYINSA-N 350.245 4.893 0 40 FJAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1NCc1ccccc1 20158911 YWOAWFNZYDOKRA-YADARESESA-N 370.496 4.952 0 40 FJAB Cc1csc(SCc2ccccc2C(=O)Nc2ccccc2O)n1 29568313 XDMTUKOBEMVQSC-UHFFFAOYSA-N 356.472 4.702 0 40 FJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSc1ccc(Cl)cc1 30870207 OODPJPYAXJVVNL-GFCCVEGCSA-N 370.301 4.669 0 40 FJAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc1 35316444 PPFSZBVBZJGRKZ-HNNXBMFYSA-N 370.861 4.946 0 40 FJAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38833712 DUAQDBYMTMKOTO-IBGZPJMESA-N 354.469 4.800 0 40 FJAB O=C(Nc1cccc(CN2CCCCC2)c1)c1cc(F)c(F)cc1Cl 40089046 HWWLUFNIBOVZLK-UHFFFAOYSA-N 364.823 4.856 0 40 FJAB O=C(Nc1ccc2nccnc2c1)c1csc(-c2ccc(Cl)cc2)n1 40146854 WALQDPQABLCBJS-UHFFFAOYSA-N 366.833 4.659 0 40 FJAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1OCC 44902197 ONJLXGKTBOUYCV-GOSISDBHSA-N 369.505 4.911 0 40 FJAB C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 65575536 AWPMKSKPPTWDNM-QGZVFWFLSA-N 374.440 4.621 0 40 FJAB Cc1nc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)oc1C 65770141 MWHLDKQLNOUWGN-CQSZACIVSA-N 356.451 4.660 0 40 FJAB O=C(CN1CCC[C@@]2(CC=CCC2)C1)Nc1ccccc1SC(F)F 72284966 SCWYIWLNVOWWQX-IBGZPJMESA-N 366.477 4.762 0 40 FJAB Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348939 RVGUDWXUKDQVCZ-OAQYLSRUSA-N 357.501 4.755 0 40 FJAB Cc1ccc2nc(-c3ccc(I)cc3)sc2c1 73740244 CMNGPVZEYFYOER-UHFFFAOYSA-N 351.212 4.876 0 40 FJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2cccs2)CC1 75157055 RGYAXSHBHRMNCV-UHFFFAOYSA-N 363.910 4.965 0 40 FJAB CCC(CC)c1nnc(NC(=O)N2CCC[C@@H]2c2cccs2)s1 76077291 BCRQFWGQLQEVQT-GFCCVEGCSA-N 350.513 4.872 0 40 FJAB COC(=O)c1ccc2c(c1)CCCN2Cc1c(Cl)ccc2cccnc12 83895850 JVAWOAKGLUWMJG-UHFFFAOYSA-N 366.848 4.628 0 40 FJAB O=C(NCc1cc(-c2ccccc2)no1)c1ccc(-c2ccccc2)cc1 84562534 GXCPAROYQZOURR-UHFFFAOYSA-N 354.409 4.939 0 40 FJAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1 95067931 NHKUAZUNNWXMCQ-UHFFFAOYSA-N 372.259 4.512 0 40 FJAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1=Cc2ccccc2OC1 95975201 TWUOGTMCIXQQSL-CQSZACIVSA-N 356.491 4.570 0 40 FJAB C[Si](C)(C)c1cc(-c2ccc(F)c([Si](C)(C)C)c2F)ccc1F 219794249 ZKLHIXKZBVPQRB-UHFFFAOYSA-N 352.548 4.861 0 40 FJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)c(Cl)c1 222582074 RJPCJPLHNIHVEV-UHFFFAOYSA-N 359.763 4.636 0 40 FJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)S1 222635920 STSFVOACQFGUQJ-BEVDRBHNSA-N 366.534 4.978 0 40 FJAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 222936821 WJVSYCBVJHEFIK-MRXNPFEDSA-N 365.498 4.758 0 40 FJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSc1ccc(C)cc1 222978131 ORZVUXGMJFZCCU-HXUWFJFHSA-N 357.519 4.678 0 40 FJAB Cc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C 223430911 ZZMWKHPLTFWHMA-CJLVFECKSA-N 361.441 4.632 0 40 FJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccccc2Cl)c1 225033438 HWNTZGVCTIJAHU-IBGZPJMESA-N 359.897 4.939 0 40 FJAB O=C(NCCCc1ccc(F)cc1)c1cc(Br)ccc1Cl 225072592 JEVSVCAOJPYQJD-UHFFFAOYSA-N 370.649 4.604 0 40 FJAB Fc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1F 225612607 GWZTTWOEDZRGMS-UHFFFAOYSA-N 370.465 4.714 0 40 FJAB CCCCOc1ccc(-c2nc(O)c3c(C)c(C)sc3n2)cc1OC 408734111 DCGATVCWMKRCKK-UHFFFAOYSA-N 358.463 4.868 0 40 FJAB O[C@H](CN1CCc2ccccc2[C@@H]1c1ccccc1)c1c(F)cccc1F 731033491 WPKUZDOHTCWQNF-GGAORHGYSA-N 365.423 4.646 0 40 FJAB Cc1ccc(C2(C(=O)N3CCC(CCCN4CCCC4)CC3)CCC2)cc1 1566683657 SYJJTEOBEYLKFT-UHFFFAOYSA-N 368.565 4.531 0 40 FJAB O=c1oc2ccccc2cc1-c1nnc(-c2cc3sccc3s2)o1 1889128339 GMLZFTJSOGQPQW-UHFFFAOYSA-N 352.396 4.786 0 40 FJAB Cc1ccc(OCCn2cc(C=O)c3cc(Br)ccc32)cc1C 638269 HPGDQLNNYBWZAW-UHFFFAOYSA-N 372.262 4.912 0 40 FJAB CCc1cccc(CC)c1NC(=O)CN1C(=O)c2cccc3cccc1c23 802553 NKOYNYROSBTKLH-UHFFFAOYSA-N 358.441 4.564 0 40 FJAB COc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 2735495 VLXSUFPUPNLCJR-UHFFFAOYSA-N 358.797 4.759 0 40 FJAB O=C(Nc1nccs1)c1oc2ccccc2c1COc1ccccc1 3330454 QEHMQQYFIBXVCJ-UHFFFAOYSA-N 350.399 4.721 0 40 FJAB CCCC(CCC)C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C 4033058 FHTVEHLTWVSBDI-UHFFFAOYSA-N 350.466 4.860 0 40 FJAB CCOC(=O)C1=N[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 4822474 QLSOUOMVJCUENY-DHIUTWEWSA-N 370.452 4.951 0 40 FJAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 5597601 BLGHLYFVDGMFAD-UHFFFAOYSA-N 368.458 4.860 0 40 FJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 6564765 OCHVXUMFGMIACN-LLVKDONJSA-N 374.897 4.856 0 40 FJAB Cc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)cc1 6810648 XEJBQRIQSHGTEM-UHFFFAOYSA-N 369.848 4.849 0 40 FJAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 7092726 RRDXDMPIQUMGQG-VEVIJQCQSA-N 370.246 4.974 0 40 FJAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)o2)c2ccccc2)cc1 7288819 KGOXQZQDNMKICY-QGZVFWFLSA-N 365.458 4.728 0 40 FJAB COc1ccccc1Nc1nnc(SCc2nc3ccccc3o2)s1 8192467 RWZWIOMQXAQXPC-UHFFFAOYSA-N 370.459 4.724 0 40 FJAB Cc1oc(C)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1C 8278170 RMRUQRXJHRIMLI-UHFFFAOYSA-N 351.431 4.833 0 40 FJAB COc1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)nc2c1 10405511 GWOKVATVEOLLGG-UHFFFAOYSA-N 360.335 4.823 0 40 FJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 10860485 MDAHAFSCHIMTHZ-UHFFFAOYSA-N 363.257 4.742 0 40 FJAB C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@@H]1CCCc2ccccc21 10962155 JJMSOZOVTSVMJK-MGPUTAFESA-N 362.498 4.909 0 40 FJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3ccccc3n2)cs1 12746767 BTGRHWLZESHHIK-UHFFFAOYSA-N 371.465 4.870 0 40 FJAB Cc1ccc2nc(CN[C@H](c3ccc(F)cc3)c3cccs3)cn2c1 12750008 JTKZNZWOOMFVPT-HXUWFJFHSA-N 351.450 4.723 0 40 FJAB CC(C)[C@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 12792773 CPNVYPCFDUMGLJ-FQEVSTJZSA-N 365.502 4.682 0 40 FJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 12884681 JKHJMAVDXKESPZ-UHFFFAOYSA-N 372.877 4.865 0 40 FJAB Cc1ccc2nc(SCC(=O)c3ccc(Br)s3)[nH]c2c1 12954198 DXSQWMNEQIKNJA-UHFFFAOYSA-N 367.293 4.670 0 40 FJAB Cc1cccc(C)c1NC1=NC(=S)N(N(C)c2ccccc2)C1(C)C 13897003 JYYGQEFRNXHALI-UHFFFAOYSA-N 352.507 4.544 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1 14426360 OXLPTYOKYCGSER-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB Fc1ccc(CCNCc2cccc(OCc3ccc(F)cc3)c2)cc1 16399579 VWKZFEORZMTKLH-UHFFFAOYSA-N 353.412 4.876 0 40 FJAB Cc1cc([C@H]2CCCCCN2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 19119368 QKSRVUXJRJEXMU-DNVCBOLYSA-N 356.466 4.508 0 40 FJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(F)cc3)ccc21 19935084 AZQIKZYHXCXKBS-UHFFFAOYSA-N 362.404 4.971 0 40 FJAB COc1ccc(-c2cc3nc(C)cc(Nc4ccc(C)cc4)n3n2)cc1OC 21150270 LRGQRCGCMSGVMI-UHFFFAOYSA-N 374.444 4.774 0 40 FJAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)c1c[nH]c2ccccc12 22709537 HUYKVGMPALXIFJ-JTQLQIEISA-N 355.444 4.643 0 40 FJAB CCCCC[C@@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 25346361 CNWKPCOYWGOPMQ-GFCCVEGCSA-N 351.853 4.672 0 40 FJAB Cc1nc(COc2cccc(/C=C/C(=O)N(C)[C@@H](C)C(C)C)c2)cs1 27184660 KPMPFTOHQMKDIO-FEAKQIBJSA-N 358.507 4.547 0 40 FJAB Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 30754733 PHJDUTCGDQDVPW-VGSWGCGISA-N 363.432 4.807 0 40 FJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccccc1C 30859749 NTHDRDQJAPLSSG-HXUWFJFHSA-N 371.546 4.819 0 40 FJAB Cc1nc(CSCCC(=O)N[C@@H](c2cccs2)C(C)C)cs1 32421856 NTSNEISKJSBUSV-MRXNPFEDSA-N 354.566 4.650 0 40 FJAB CC(C)(C)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1cccs1 32916396 YQUWMTJXXNWBKR-CQSZACIVSA-N 361.891 4.606 0 40 FJAB CCCCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1OC 33721740 ZJSYZTOHIOLGKN-UHFFFAOYSA-N 363.457 4.957 0 40 FJAB O=C1N[C@@H]2S[C@H]3[C@H]4CC[C@H](C4)[C@H]3[C@@H](c3ccc(Cl)cc3)[C@H]2S1 35569166 YTFQJULJUPEYPV-DLCVOAQBSA-N 351.924 4.736 0 40 FJAB CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1C 37165050 RKMIDSFZFSYJIV-ZDUSSCGKSA-N 371.510 4.807 0 40 FJAB COc1ccc(CCC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1F 40155041 PHEFRLHDBLIMEB-UHFFFAOYSA-N 368.408 4.677 0 40 FJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSC1CCCCC1 44843235 VUGOYRDGAOXLKX-QGZVFWFLSA-N 355.931 4.680 0 40 FJAB CCn1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc21 50547995 QXLQODYAYLYYER-WQRHYEAKSA-N 363.442 4.755 0 40 FJAB CCN(CC)c1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2CC)cc1 57481338 GWZFAGWVTPAIOL-UHFFFAOYSA-N 374.554 4.519 0 40 FJAB O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccco1 58378253 JJMJHAUEMXSYAX-KRWDZBQOSA-N 356.219 4.562 0 40 FJAB C[C@@H](C(=O)Nc1ccccc1Cl)n1c(-c2cccs2)n[nH]c1=S 65511978 FWXHXIYBTOXCEF-VIFPVBQESA-N 364.883 4.522 0 40 FJAB Clc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377610 PVAPHIZKOJHFQG-MRXNPFEDSA-N 371.897 4.667 0 40 FJAB CCCOc1ccc([C@@H](C)N[C@@H](C)c2nc3c(s2)CCC3)cc1OC 95450979 CQRSEBAIKAJALC-KGLIPLIRSA-N 360.523 4.841 0 40 FJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(OC(C)C)c1 113970533 ZLXMXQDZEUZDGL-HXUWFJFHSA-N 355.478 4.564 0 40 FJAB Cc1cc(NC(=O)COc2cccc3c2CCCC3)ccc1Br 222796305 NPLRDELTDJSUCW-UHFFFAOYSA-N 374.278 4.654 0 40 FJAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 224532258 NVOAVYAHGJJCOI-UHFFFAOYSA-N 364.961 4.883 0 40 FJAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)N1CCCCC1 225151242 XFMFWFKBWGVXGO-SFHVURJKSA-N 359.853 4.614 0 40 FJAB Fc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)c(F)c1 225299532 GUAZVXJKGWWLPN-UHFFFAOYSA-N 372.893 4.838 0 40 FJAB FC(F)(F)Oc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 225545275 NPQYMTZKUKGKTD-UHFFFAOYSA-N 372.306 4.692 0 40 FJAB CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)cc1C 225714328 GUKIKEAOTOOUQM-QGZVFWFLSA-N 358.507 4.758 0 40 FJAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1C 225715281 KJVJHXQVVXKFCZ-KRWDZBQOSA-N 356.491 4.512 0 40 FJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccccc1 225837966 NQUJRWZBDJWAQF-YADHBBJMSA-N 351.490 4.990 0 40 FJAB Cc1cccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 408568237 SPKCXFVAXQYGNB-UHFFFAOYSA-N 354.302 4.965 0 40 FJAB O=C(CCc1ccccc1)NCCSCc1ccc(Cl)cc1Cl 409179952 QTHJRYQYPBOUFJ-UHFFFAOYSA-N 368.329 4.976 0 40 FJAB O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCCN(C2CCCC2)CC1 585281690 PDSHDCDBPSQWDJ-SFHVURJKSA-N 358.309 4.532 0 40 FJAB Cc1ccccc1C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 683232 SJAAOLWATVDBRD-UHFFFAOYSA-N 358.869 4.677 0 40 FJAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 994279 XZKRZIRFLSOVKD-GFCCVEGCSA-N 368.296 4.763 0 40 FJAB CCC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1C 1463816 QGUBHTGSFOOMGG-UHFFFAOYSA-N 365.410 4.694 0 40 FJAB biogenic Cc1cccc(NC(=O)OCCOC(=O)Nc2cccc(C)c2C)c1C 1664906 CHZYKLGOZFDVTJ-UHFFFAOYSA-N 356.422 4.717 0 40 FJAB CC[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OCC(C)C 1778524 UICXFWVXRRNQOI-CYBMUJFWSA-N 364.536 4.640 0 40 FJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc2ccc(F)cc2s1 2663566 CSFWZXASEGMCFT-UHFFFAOYSA-N 369.446 4.740 0 40 FJAB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C 3287984 CTVHDYPEMGFZJQ-UHFFFAOYSA-N 373.499 4.624 0 40 FJAB Clc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1 3299999 UGHJEXJWIBSXLX-UHFFFAOYSA-N 363.833 4.746 0 40 FJAB Cc1cc(C)c2c(NC(=O)c3ccccc3Cl)c(C(=O)O)sc2n1 3424036 NOUUNSXFBDRSJL-UHFFFAOYSA-N 360.822 4.517 0 40 FJAB O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1Br 4176842 FZKUEWBQUFVGTL-UHFFFAOYSA-N 359.248 4.825 0 40 FJAB O=C(Nc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)c1cccnc1 4729104 HTPZMTRFGCSATO-MDWZMJQESA-N 368.396 4.554 0 40 FJAB CCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccc(Cl)cc1 4783722 YNCXUCJEGGYWLS-UHFFFAOYSA-N 354.841 4.569 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1-c1nc(-c2ccccc2F)no1 5563123 DEKMSHXRJCMBNZ-UHFFFAOYSA-N 359.360 4.795 0 40 FJAB COc1ccc(NC(=O)c2ccc(C)cc2)cc1NC(=O)c1ccc(C)cc1 6922801 QTFAGGNZLHTJNK-UHFFFAOYSA-N 374.440 4.817 0 40 FJAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21 7092998 RRDXDMPIQUMGQG-ZJNRKIDTSA-N 370.246 4.974 0 40 FJAB CCCCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 7262189 GRHSHDKTSMEFRY-UHFFFAOYSA-N 366.252 4.652 0 40 FJAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(Cl)cc1Cl 7601471 SDQDOSRLCZHVFW-UHFFFAOYSA-N 351.262 4.658 0 40 FJAB Cc1ccc(-c2csc3ncn([C@H](C)C(=O)c4ccccc4)c(=O)c23)cc1 7995039 BVWPJULNVULQBT-OAHLLOKOSA-N 374.465 4.877 0 40 FJAB CC(C)c1nnc2sc(CCn3c4ccccc4c4ccccc43)nn12 8993220 ZJGJBMJXVGMITF-UHFFFAOYSA-N 361.474 4.660 0 40 FJAB C[C@H](Oc1ccccc1)c1nn2c(-c3ccc(Cl)cc3)nnc2s1 9227248 HTIBMENKFJPKQE-NSHDSACASA-N 356.838 4.646 0 40 FJAB CC[C@@H](C(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1)c1ccccc1 9572107 RIOFOXVCMOKTKL-HXUWFJFHSA-N 370.456 4.837 0 40 FJAB Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)C(C)C)nc12 13037063 CTUWNNZXLKGNNW-UHFFFAOYSA-N 359.882 4.842 0 40 FJAB CCc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 14049923 GBFWCKDDHWYHDG-UHFFFAOYSA-N 356.372 4.754 0 40 FJAB C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)c1cccs1 14117184 WBGVOANKZYHLOW-FFHGMXDLSA-N 367.605 4.928 0 40 FJAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15913929 MOGNZFONUSIYAH-MRXNPFEDSA-N 365.502 4.519 0 40 FJAB Clc1cccc(-c2ccc(CNCCCSc3ncccn3)o2)c1 16399075 UZMMVKICTOOQHD-UHFFFAOYSA-N 359.882 4.662 0 40 FJAB CCOc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1OC 19533961 JRFZDYHZMXFRED-MRXNPFEDSA-N 374.531 4.686 0 40 FJAB O=C(CSCc1ccccc1)NCCSCc1cccc(Cl)c1 20237664 BLZNBCOHFKPUMD-UHFFFAOYSA-N 365.951 4.623 0 40 FJAB COc1ccc(SCC(=O)Nc2ccc3ccccc3c2)cc1OC 22518269 RBNZGAZJPFWBRM-UHFFFAOYSA-N 353.443 4.588 0 40 FJAB Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)oc2c(F)cccc12 23258953 FJYOBNOQIAKXJR-UHFFFAOYSA-N 351.299 4.829 0 40 FJAB COC(=O)c1cc(Nc2ccc(Br)cc2)c2ccccc2n1 38486583 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361.485 4.727 0 40 FJAB CC[S@](=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C 80344487 MCBHKVYFIDWRGX-XMMPIXPASA-N 361.850 4.774 0 40 FJAB Cc1ccccc1-c1nc(C)c(CNC(=O)/C=C/c2cccs2)s1 96342910 QTXCTSLKVIBRAL-MDZDMXLPSA-N 354.500 4.818 0 40 FJAB CCc1noc(-c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2)n1 96346763 DEQNCYXFZPQMJX-UHFFFAOYSA-N 365.433 4.586 0 40 FJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2)C[C@H](c2ccco2)C1 102565498 SDRBOROKOIYCSY-SGTLLEGYSA-N 366.808 4.590 0 40 FJAB O=C(OCc1c(Cl)cccc1Cl)c1snnc1-c1cccs1 223847751 PZCHPTXGWRZZLE-UHFFFAOYSA-N 371.270 4.930 0 40 FJAB Cc1nc(NC(=S)NCc2ccc(Cl)cc2)c(Cl)cc1Cl 223928340 HUGYWDFYSQZAPN-UHFFFAOYSA-N 360.697 4.837 0 40 FJAB CCCCOCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 224444497 QYWYRTWLDZGZLD-OAHLLOKOSA-N 359.441 4.642 0 40 FJAB CCCCOCc1cc(C(=O)N2CCc3ccccc3C2)ccc1OCC 224730895 YCEYVKOVOAWIJR-UHFFFAOYSA-N 367.489 4.601 0 40 FJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N(CC)CC)o2)cc1 224920767 ULHLNIASSSXGLR-UHFFFAOYSA-N 364.445 4.889 0 40 FJAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225761477 OAIMTHICHFSUDU-IBGZPJMESA-N 370.518 4.855 0 40 FJAB COC1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCCCCC1 225888776 MDXKHUYYWBMWKP-UHFFFAOYSA-N 356.466 4.700 0 40 FJAB Cc1cc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)ccn1 257241013 HWHILZDEFTVIGE-HXUWFJFHSA-N 362.429 4.685 0 40 FJAB CC(C)(C)CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257262073 LJYBBFQWUNYWHL-INIZCTEOSA-N 358.457 4.547 0 40 FJAB Cc1cnc(N2CCC(c3ccc(O)cc3)CC2)nc1-c1ccccc1F 549462852 INPRWYRQZVQSOK-UHFFFAOYSA-N 363.436 4.681 0 40 FJAB Cc1ccnc(Nc2cccc(C(=O)N[C@@]3(C)CCCc4ccccc43)c2)n1 1566761831 BHVRAAHYDZEEOI-QHCPKHFHSA-N 372.472 4.510 0 40 FJAB COc1cccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)c1OC 886585 QGLZAWVSTQHVDX-QEEYODRMSA-N 365.429 4.537 0 40 FJAB O=C(CSc1nc2cc(Cl)ccc2o1)c1cc2ccccc2oc1=O 1101346 GRFSTWMAPNRLPV-UHFFFAOYSA-N 371.801 4.563 0 40 FJAB CC(C)CN(CC(C)C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1248493 MFXOUUHTHFOOOW-LJQANCHMSA-N 352.522 4.769 0 40 FJAB CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1346854 JRJPDOMQZKYNQO-SFHVURJKSA-N 371.868 4.537 0 40 FJAB O=c1oc2c(Cl)cc(Cl)cc2n1SC(Cl)(Cl)Cl 1668483 QFIALTZVDVFWPU-UHFFFAOYSA-N 353.441 4.725 0 40 FJAB O=C(Nc1ccccc1)O[C@@H]1CCCC[C@H]1OC(=O)Nc1ccccc1 1744514 WHRUJUFRBGPAQV-QZTJIDSGSA-N 354.406 4.795 0 40 FJAB CCCn1c(-c2ccc(Br)cc2)nc2nc3ccccc3nc21 2425787 BDZPGONHZYWFEU-UHFFFAOYSA-N 367.250 4.819 0 40 FJAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 3526048 HWCLMYIZESGHQW-UHFFFAOYSA-N 361.422 4.673 0 40 FJAB CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 4912775 WRMXBEOSHNHCME-CQSZACIVSA-N 359.491 4.890 0 40 FJAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCC2)c1 5235431 WEHDEPAZVCRDBC-IBGZPJMESA-N 364.445 4.518 0 40 FJAB C[C@H](Sc1ccccn1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 5622463 OMORPAMVQZCOET-QWRGUYRKSA-N 355.290 4.746 0 40 FJAB Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@@H](C)S[C@H]2c1cccs1 6679152 NVBRQBVUDMPFAK-DYVFJYSZSA-N 369.515 4.714 0 40 FJAB Cc1[nH]c(SCc2cc(-c3ccco3)on2)nc1Cc1ccccc1 7246453 FJTXOOQZSHFEJF-UHFFFAOYSA-N 351.431 4.849 0 40 FJAB O=C(c1ccccc1)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 8265911 CZIVRFPTFZRGHW-UHFFFAOYSA-N 373.427 4.862 0 40 FJAB CC(C)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 8344754 DXOJZXOQFUWGJE-QHCPKHFHSA-N 371.484 4.516 0 40 FJAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 8345081 LBCICPFPUJWOSS-QGZVFWFLSA-N 369.490 4.588 0 40 FJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(C)c2)cc1 8476255 PJJFZPQOHRZTOU-UHFFFAOYSA-N 374.488 4.614 0 40 FJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(F)cc1 9141146 SYEJDUQQHUMPFJ-UHFFFAOYSA-N 362.360 4.895 0 40 FJAB COc1ccc(CN2CCC[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 12187995 OONUAPAENURZJM-LJQANCHMSA-N 362.473 4.632 0 40 FJAB O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2sccc2N1 12375547 HIXRTMQWYYZCDE-INIZCTEOSA-N 353.418 4.940 0 40 FJAB Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCCCC2)c(C)c1 12522725 HWUSRBOKQMGUQE-UHFFFAOYSA-N 352.478 4.620 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cccc(Cl)c3)c12 12749680 FQTHVVNQVUPSJA-JTQLQIEISA-N 355.825 4.553 0 40 FJAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCSc2ccc(Cl)cc21 16298938 MDALAUCAOHCZFV-OAHLLOKOSA-N 367.898 4.925 0 40 FJAB O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1ccccc1Cl 21487946 JMRLEGMNZUEYRL-UHFFFAOYSA-N 361.825 4.889 0 40 FJAB O=C(NC1CCCCC1)c1cccnc1Nc1cccc(Br)c1 22072942 JCIFXOMVLWNPBI-UHFFFAOYSA-N 374.282 4.650 0 40 FJAB CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C)ccc21 22234648 FBFHFENVMRWJDD-UHFFFAOYSA-N 374.362 4.601 0 40 FJAB CCc1ccccc1O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 22532049 PTXVSQMRKHUFJC-GOSISDBHSA-N 359.469 4.922 0 40 FJAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 39748917 HEZZVAVBJJUEJT-UHFFFAOYSA-N 356.897 4.808 0 40 FJAB O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCCCCC2)cc1 44906554 YCPJBRYKTODPMR-UHFFFAOYSA-N 368.496 4.564 0 40 FJAB O=C1NCCCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 48250658 IAMIBGUOAXOMLM-KRWDZBQOSA-N 364.470 4.769 0 40 FJAB CC[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1 60389522 DBZYIUSHRZIKBR-GOSISDBHSA-N 361.489 4.749 0 40 FJAB O=C(Nc1c[nH]ccc1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 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KCJLGYVMDFOBFG-UHFFFAOYSA-N 363.860 4.514 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)CCc2ccc(Cl)c(Cl)c2)c1 224050284 WACLALRLHPMFDF-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 224449301 ZFOPTWPYUPDFRP-OAQYLSRUSA-N 364.420 4.608 0 40 FJAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 257244043 IJPOTLFUYYOACM-FQEVSTJZSA-N 373.460 4.567 0 40 FJAB CC(C)COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 408808905 GZPFTHOZWUEUPZ-PDGQHHTCSA-N 353.443 4.962 0 40 FJAB O=C(Nc1ccc(-c2ccccc2)nn1)C1(c2cccc(Cl)c2)CCC1 1515612839 AOIYPZUZFMSHGG-UHFFFAOYSA-N 363.848 4.857 0 40 FJAB Oc1cccc(CNc2ccc(OCCN3CCCCC3)cc2)c1Cl 1560391885 SCZSQZXROORQHP-UHFFFAOYSA-N 360.885 4.522 0 40 FJAB CCN(Cc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1775971198 JINHOWAFUCQPCM-FQEVSTJZSA-N 358.485 4.678 0 40 FJAB COc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 682364 IWLRSNTYGXGMNN-UHFFFAOYSA-N 360.624 4.673 0 40 FJAB COc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1 936268 MWVYVCRZUYBVET-JQIJEIRASA-N 373.452 4.623 0 40 FJAB Cc1cccc(NC(=O)COc2c(C)cc(Br)cc2C)c1C 1003696 NOVNZLLLJUBAEW-UHFFFAOYSA-N 362.267 4.700 0 40 FJAB Nn1c(SCc2cccc3ccccc23)nnc1-c1cccc(Cl)c1 2360935 GOJQYEMWIVLZHJ-UHFFFAOYSA-N 366.877 4.758 0 40 FJAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccco1 2970183 AQQVHLDKXDZQDC-UHFFFAOYSA-N 362.454 4.639 0 40 FJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccccc1F 3017790 YNWUVHDADLGTKJ-OQLLNIDSSA-N 362.813 4.585 0 40 FJAB COc1ccc(-c2nc3cccc(C)n3c2NCc2ccccc2)cc1OC 4754089 LUEVZHDYHUHLOD-UHFFFAOYSA-N 373.456 4.939 0 40 FJAB CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 5404634 VDKOCHXLURCOTR-UHFFFAOYSA-N 370.861 4.847 0 40 FJAB S=C(NCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 6049239 ACWFFDNZANLIDH-JOCHJYFZSA-N 371.509 4.912 0 40 FJAB O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1c1ccccc1 7128442 FFNPUQNSVBPQMP-QFIPXVFZSA-N 366.424 4.643 0 40 FJAB CCc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1 7615739 QIUNGTXGVNZNDN-UHFFFAOYSA-N 365.824 4.509 0 40 FJAB CSc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 8049304 NNXDVBALHQUCMG-UHFFFAOYSA-N 368.483 4.975 0 40 FJAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1C 8230775 RXIITCMZLDCRAO-ZDUSSCGKSA-N 357.504 4.822 0 40 FJAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 8480503 QBCSQLVHCXAQED-CQSZACIVSA-N 356.491 4.579 0 40 FJAB CCc1ccc(-c2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 8484089 PTCZIAYWLFIERC-UHFFFAOYSA-N 362.458 4.981 0 40 FJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)cc1 9107452 FKXGDAONIWVUSS-UHFFFAOYSA-N 374.415 4.557 0 40 FJAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1OCC 10542789 DAEIKVLJQJDRGG-CQSZACIVSA-N 359.491 4.697 0 40 FJAB O=C(CSCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 10591443 PQWXDFOQGLYDCV-UHFFFAOYSA-N 368.483 4.574 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@@H]1c1ccccc1Cl 10818650 VHVIBRWRUOKPDU-CHWSQXEVSA-N 355.850 4.601 0 40 FJAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 11326767 PZPLHNSLGZGRQG-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB O=C(Nc1ccccc1)c1ccccc1OCc1ccc(-n2cccn2)cc1 11557285 BELYHUITSBINCU-UHFFFAOYSA-N 369.424 4.704 0 40 FJAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)cc2)CC1 12550810 XJMHZPQCKCYGIM-HNNXBMFYSA-N 373.447 4.640 0 40 FJAB C/C=C/[C@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12654338 IOUYXYGRBKBIAU-YPWQGHDQSA-N 361.526 4.855 0 40 FJAB O=C(/C=C/c1ccccc1)NCCC(=O)Nc1ccccc1-c1ccccc1 12900453 IBWGXFYFUKIEDI-FOCLMDBBSA-N 370.452 4.512 0 40 FJAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12902848 INQGIVZXXKLIQA-UHFFFAOYSA-N 361.376 4.832 0 40 FJAB O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)[C@H]1CC=CCC1 13002561 SIAYDZOQYADNHN-LBPRGKRZSA-N 350.249 4.533 0 40 FJAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 14166385 BHWGKWXWRBHDQH-ZDUSSCGKSA-N 374.271 4.599 0 40 FJAB Cc1cccc(CSCC(=O)Nc2ccc(Br)cc2F)c1 15007870 WKSVLEOQXXPPDY-UHFFFAOYSA-N 368.271 4.769 0 40 FJAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1csc(-c2ccccc2)n1 15832387 IQSUTOQRCDIGSQ-ZDUSSCGKSA-N 372.877 4.547 0 40 FJAB CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 15866467 JQOHYGTXODBWNW-ZWKOTPCHSA-N 353.857 4.596 0 40 FJAB CSc1ccc([C@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1 20030104 JRLDAYPTRSEMFY-LBPRGKRZSA-N 369.515 4.726 0 40 FJAB CC(=O)Nc1ccc(F)c(NC(=O)CSc2ccc3ccccc3c2)c1 23003538 POJKRHFEFNZKTG-UHFFFAOYSA-N 368.433 4.668 0 40 FJAB CCSc1cc(C(=O)N(c2ccc(OC)cc2)[C@H](C)C2CC2)ccn1 60306636 PUBYEDWMVIVMKX-CQSZACIVSA-N 356.491 4.648 0 40 FJAB CC(C)(C)OC(=O)Cc1ccc2cc(CC(=O)OC(C)(C)C)ccc2c1 68604875 DJODQVAQHJJHJF-UHFFFAOYSA-N 356.462 4.608 0 40 FJAB biogenic CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215636 IKRPWWDGVQMLJL-SFHVURJKSA-N 359.514 4.923 0 40 FJAB CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCc2ccccc2C1 89361441 DQCXKYHZIFQQRW-UHFFFAOYSA-N 371.484 4.913 0 40 FJAB COc1ccc(Br)c(C=O)c1OCc1ccccc1Cl 95095001 OAMFONYFQJDIHZ-UHFFFAOYSA-N 355.615 4.503 0 40 FJAB c1ccc(-c2nsc(N3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 95407756 TVCKHZBTPMQMQP-OAHLLOKOSA-N 362.458 4.730 0 40 FJAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(Cl)cc(Cl)c1 95950234 FLZDLYWFOIYTJB-UHFFFAOYSA-N 354.617 4.587 0 40 FJAB Cc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)c2ccccc2C1=O 96669500 LGDDJIFKLGWBSK-XSFVSMFZSA-N 357.384 4.862 0 40 FJAB CC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(OC)cc1 222799597 DCZGNNYROMGFLE-LJQANCHMSA-N 355.478 4.639 0 40 FJAB Cc1ccc(S[C@@H](C)C(=O)NCCOc2cccc3ccccc23)cc1 223510373 NVJPKSFAISCOGH-KRWDZBQOSA-N 365.498 4.824 0 40 FJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)cc3)o2)cc1 224856415 LUKMYPADGFHWRQ-UHFFFAOYSA-N 350.418 4.620 0 40 FJAB CCN(c1c(C)cccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224927565 GGMMFFOUNROSCP-UHFFFAOYSA-N 358.290 4.825 0 40 FJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(F)c(C)c2)c2ccccc2)cc1 225605484 QIXOZJPOSAKXJU-NRFANRHFSA-N 369.461 4.510 0 40 FJAB CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2cc(Cl)ccc21 408713156 MDFNFRFOZKHHGK-UHFFFAOYSA-N 354.837 4.544 0 40 FJAB O=C(N[C@@H]1CCc2ccc(F)cc21)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 521637748 MTOMXZQZVFJHKS-JFIYKMOQSA-N 363.354 4.752 0 40 FJAB CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1 1524399714 NYRUBSSNGQHNCP-UHFFFAOYSA-N 352.261 4.839 0 40 FJAB CC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 834961 QRTCNGZZAFLDKH-UHFFFAOYSA-N 352.615 4.557 0 40 FJAB COc1ccccc1[C@@H]1SC(c2ccccc2)(c2ccccc2)OC1=O 1624042 MLFQLZHOVVPFAF-FQEVSTJZSA-N 362.450 4.928 0 40 FJAB COc1cc(NCCCN(CC(C)C)C2CCCC2)c2ncccc2c1 1653255 JEVOQAANQNDQAF-UHFFFAOYSA-N 355.526 4.946 0 40 FJAB CC1(C)Cc2nc3sc4c(N5CCCCC5)ncnc4c3cc2CS1 2262166 CLQWRIJWUOOLFS-UHFFFAOYSA-N 370.547 4.798 0 40 FJAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCCC1 2263644 HEPBQIBXPFPJIK-UHFFFAOYSA-N 357.310 4.639 0 40 FJAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(Cl)cc1 2632545 QJWTVYLWYOKVMM-UHFFFAOYSA-N 352.261 4.777 0 40 FJAB O=C(NCCc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 2637332 JEMMIFCZBPBKPS-UHFFFAOYSA-N 363.844 4.937 0 40 FJAB Cc1cccc(NC(=O)CSc2ccc(Br)cc2)c1C 3524617 JHVMXQCKLCZBJF-UHFFFAOYSA-N 350.281 4.797 0 40 FJAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccccc1F 4854258 HCSSBTSKPIECFL-LJQANCHMSA-N 369.827 4.918 0 40 FJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)o2)cc1 4986879 RQJZMCGLOLMWLU-GFCCVEGCSA-N 371.437 4.557 0 40 FJAB Cc1ccc(SCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 5190641 CFCDQKHAZSDOJP-UHFFFAOYSA-N 366.511 4.948 0 40 FJAB O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1nc2ccccc2s1 5551831 VEXGIKXEIYQXFJ-HNNXBMFYSA-N 364.854 4.867 0 40 FJAB COc1cccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)c1 5918685 ANYSPIYYQNGPBG-UHFFFAOYSA-N 372.421 4.640 0 40 FJAB CCCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 5951026 HUJULPNXSKAWFA-UHFFFAOYSA-N 353.285 4.625 0 40 FJAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 6399113 AYQALWJVSIPLCH-HIXSDJFHSA-N 368.480 4.576 0 40 FJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1F 7160618 RCQDLZXPOQUTOY-UHFFFAOYSA-N 366.339 4.763 0 40 FJAB COc1ccc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 7294577 VBBNQVMIWRZPBQ-CQSZACIVSA-N 359.516 4.705 0 40 FJAB CC(C)CNC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 7298643 ITYMCURUIPUWTE-ZDUSSCGKSA-N 371.531 4.611 0 40 FJAB O=C(OCc1cc(-c2ccco2)on1)C1c2ccccc2Oc2ccccc21 8068912 SWOWRYYSCPGTOH-UHFFFAOYSA-N 373.364 4.916 0 40 FJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1c(Cl)cccc1Cl 8232523 WCRVVRKHCZLWFW-ZDUSSCGKSA-N 355.290 4.831 0 40 FJAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c1 8767019 GVJMIIUPWSJJRX-UHFFFAOYSA-N 374.263 4.528 0 40 FJAB Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccccc2)cs1 9320786 JBALGLJJEPVOGC-UHFFFAOYSA-N 352.459 4.916 0 40 FJAB O=C(CCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 9596516 BLHOTIMCYQOZMG-UHFFFAOYSA-N 350.487 4.635 0 40 FJAB CCC[C@@H]1c2cccn2CCN1C(=O)c1nc(-c2ccc(F)cc2)oc1C 12206536 MTLVYQNUSXGVPO-GOSISDBHSA-N 367.424 4.588 0 40 FJAB C[C@H]1c2ccsc2CCN1Cc1ccc(OCc2ccccn2)cc1 12241124 PLMCTBRIZVVAKB-INIZCTEOSA-N 350.487 4.841 0 40 FJAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CC[C@H]2CCCC[C@H]2C1 12516249 RUCKHNLLOYUNHN-MJGOQNOKSA-N 371.484 4.949 0 40 FJAB C[C@H](NC(=O)CSc1nc2cccc3cccc([nH]1)c32)c1cccs1 12925587 DVDYQBPWLKKKRL-LBPRGKRZSA-N 367.499 4.747 0 40 FJAB Cc1cnc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cn1 12938259 KVNDUXLLDHWQEQ-UHFFFAOYSA-N 372.453 4.828 0 40 FJAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(OCc2ccccc2)c1 13169892 WCYLLHKFZYPQRQ-UHFFFAOYSA-N 361.397 4.525 0 40 FJAB Cc1nccn1CCCC(=O)Nc1ccccc1Oc1ccc(F)cc1 19288124 ZBCHXPLTFHVKMG-UHFFFAOYSA-N 353.397 4.542 0 40 FJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1OC 20047128 PMGPRFUAZJECCW-CQSZACIVSA-N 359.491 4.947 0 40 FJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1Cl 20450719 APIYSLHHEJSSBF-LJQANCHMSA-N 353.849 4.967 0 40 FJAB O=c1c2scc(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(F)cc1 23126808 RVKKPYYUYFMHML-UHFFFAOYSA-N 370.836 4.966 0 40 FJAB CC[C@H]1CSC(N(CC(=O)c2ccc(Cl)cc2)c2ccccc2)=N1 26442183 IVSBARUWHJPZQG-INIZCTEOSA-N 358.894 4.911 0 40 FJAB Cc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)cc1 27991571 CVXGXJVYKDGCIV-HNNXBMFYSA-N 367.474 4.536 0 40 FJAB C[C@H]1CCCN(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)C1 30754000 DWLPAZDLNKXQBO-KRWDZBQOSA-N 370.924 4.844 0 40 FJAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39761236 XVGBJBAAZNNAKZ-GOSISDBHSA-N 368.496 4.532 0 40 FJAB Cc1ccc(Cl)cc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 40089892 DEVROZQPMOLIMD-UHFFFAOYSA-N 362.820 4.610 0 40 FJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1cccc(OC(F)F)c1 40120502 USYMGGZYHJHSKP-LBPRGKRZSA-N 350.365 4.522 0 40 FJAB O=C(CSCc1ccccc1)N(Cc1ccsc1)Cc1ccco1 42382041 YQMWNELXBRCOAZ-UHFFFAOYSA-N 357.500 4.803 0 40 FJAB COC(=O)c1cc(Nc2cc(Cl)ccc2OC)c2cccc(C)c2n1 44165815 PATNXVBPPGVGDE-UHFFFAOYSA-N 356.809 4.735 0 40 FJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccc(Cl)cc1 44904664 YBUKGJLXJRTGEV-KRWDZBQOSA-N 367.873 4.545 0 40 FJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 47081077 URXBAFRMRHEZBS-MRXNPFEDSA-N 370.518 4.596 0 40 FJAB CCC[C@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 68606094 ZIXBWTMRZQDJDC-QFIPXVFZSA-N 353.506 4.699 0 40 FJAB biogenic O=C(c1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72348628 UZCKGKVBCGDFDW-FQEVSTJZSA-N 374.459 4.831 0 40 FJAB O=C(/C=C/c1cc2ccccc2o1)N[C@@H]1CCOc2c(Cl)cccc21 84594933 WXSIQJSAGRFBBU-KBOKABMXSA-N 353.805 4.739 0 40 FJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)cc1 100549067 OFRWQENHLFBGBR-QNGOZBTKSA-N 354.409 4.635 0 40 FJAB O=C1/C(=C/c2ccc3ccccc3c2)NC(=S)N1c1ccccc1Cl 103518080 GRANNEVVOGPRGT-ATVHPVEESA-N 364.857 4.755 0 40 FJAB CCOc1ccc(CCC(=O)Nc2cccc(OC(C)C)c2)cc1OCC 216434605 IKGKPHGDJILGGL-UHFFFAOYSA-N 371.477 4.843 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C3CCCC3)N21 222686861 ZZKFFDLDWJJNJZ-CDHQVMDDSA-N 366.534 4.978 0 40 FJAB CCOc1ccc(C(=O)NC2CC2)cc1COc1ccc(Cl)c(C)c1 224540137 QUHXXSFSNXFBAY-UHFFFAOYSA-N 359.853 4.518 0 40 FJAB COc1ccc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2c1 224667494 NCYGQLJEXQBVSO-UHFFFAOYSA-N 363.438 4.802 0 40 FJAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(F)c(F)c1 225601210 RHQDPYLZUDORLJ-UHFFFAOYSA-N 366.502 4.883 0 40 FJAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 225862085 PUDWIGSYRIIVBO-UHFFFAOYSA-N 356.441 4.850 0 40 FJAB COc1cccc(-c2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)c1 257299472 RQFAEKLDAGZNSO-HSZRJFAPSA-N 359.473 4.879 0 40 FJAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccc(F)c(F)c1F 390830111 ITOVZGQHESIEHM-UHFFFAOYSA-N 354.397 4.538 0 40 FJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1cc(-c2ccccc2)on1 618257135 RXNXIBXBWGHXSR-INIZCTEOSA-N 364.426 4.558 0 40 FJAB Cc1cc(C)c2nc(NC(=O)c3cccc(Br)c3)sc2c1 802219 SOYKEHXZYADCFC-UHFFFAOYSA-N 361.264 4.928 0 40 FJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2c(C)cccc2C)n1 3310842 SYPDSNBBLYZDAQ-UHFFFAOYSA-N 363.486 4.800 0 40 FJAB COc1ccc(C)cc1NC(=O)/C=C/c1cc(Br)ccc1F 3403158 MGGTZOQUZWLCEU-XBXARRHUSA-N 364.214 4.557 0 40 FJAB Cc1nc2ccc3nc(NC(=O)/C=C/c4ccccc4)sc3c2s1 4031619 IGWNWKZPRGNGOI-JXMROGBWSA-N 351.456 4.866 0 40 FJAB COc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@H](c3ccco3)C2)cc1 4306638 FFMGHGOVOOTOGK-FQEVSTJZSA-N 360.413 4.588 0 40 FJAB Cc1cccc(NCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 5364521 ONCWEYXYSCOJCZ-MHWRWJLKSA-N 358.850 4.754 0 40 FJAB COc1ccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)cc1OC 6035632 BCSACRYPQWAGMY-NSHDSACASA-N 360.410 4.746 0 40 FJAB O=C(CNc1ccc(F)c(Cl)c1)NC(c1ccccc1)c1ccccc1 6640512 CXGSNTSIFPGDLM-UHFFFAOYSA-N 368.839 4.797 0 40 FJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc(C)nc3ccccc23)cc1 6880502 YEDDKOGBWGHJBX-CYBMUJFWSA-N 352.459 4.700 0 40 FJAB O=C(COC(=O)CC1CCCC1)Nc1ccccc1Oc1ccccc1 7108339 CPCPHKBKXTYDRX-UHFFFAOYSA-N 353.418 4.541 0 40 FJAB Cc1ccc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)cn2c1 7488219 GVZJBTLIRXJQQF-INIZCTEOSA-N 362.502 4.632 0 40 FJAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccc2c(c1)OCCO2 7668627 ZHUCKSABPGMKLM-UHFFFAOYSA-N 353.462 4.886 0 40 FJAB CCCn1c([C@H](CCSC)NC(=O)c2ccccc2)nc2ccccc21 8628424 JDCVKTYEPHYUFO-SFHVURJKSA-N 367.518 4.671 0 40 FJAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)c1C 9250590 JKWULZNFNLULQH-ZDUSSCGKSA-N 372.371 4.643 0 40 FJAB COc1ccc(C(=O)OCc2cc3ccc(C)cc3nc2Cl)c(OC)c1 12589293 UFNLECPMLFAKTJ-UHFFFAOYSA-N 371.820 4.571 0 40 FJAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc2o1 12750401 SPFPWDZKUHYCHT-SECBINFHSA-N 365.216 4.849 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1nccnc1-c1nc2ccccc2s1 12771945 JLYGICRJZQNPET-UHFFFAOYSA-N 366.833 4.659 0 40 FJAB O=C(c1cccc2cccnc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 12891374 FZRQKOROMXAWCH-MRXNPFEDSA-N 373.481 4.864 0 40 FJAB COc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 14014719 YGKHFIIKFKEVAB-IENJSVCTSA-N 364.470 4.682 0 40 FJAB CC(C)Oc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 15017981 TVEWOWMVRPLDPE-INIZCTEOSA-N 360.251 4.515 0 40 FJAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc(Br)cc3)o2)cc1 15461891 ZVTZFFYVSVVBMG-LBPRGKRZSA-N 358.239 4.981 0 40 FJAB CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 17288211 QWIUTIVZGSFQLJ-UHFFFAOYSA-N 357.461 4.899 0 40 FJAB C[C@H]1CCC[C@H](C)N1Cc1nc(-c2cccnc2OC2CCCCC2)no1 19496085 VIVGZCFEEOYASN-HOTGVXAUSA-N 370.497 4.606 0 40 FJAB CC[C@@H](CNc1ccccc1OC[C@H]1CCCO1)Oc1ccccc1C 19737591 PINYTAIFLQJEFY-RBUKOAKNSA-N 355.478 4.822 0 40 FJAB CC(C)c1ccc(Nc2ncccc2C(=O)NCCc2ccccc2)cc1 22072257 ZUFOKZXUGAZXDC-UHFFFAOYSA-N 359.473 4.921 0 40 FJAB O=C(NCc1ccc(F)cc1)c1csc(Nc2ccccc2Cl)n1 27117470 YWUYDCCUFMNEBS-UHFFFAOYSA-N 361.829 4.609 0 40 FJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 27222498 RUXTUYXCPIRWQF-UHFFFAOYSA-N 363.461 4.519 0 40 FJAB Cc1ccccc1Cn1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 28235666 VJCIBWFQBURKBW-UHFFFAOYSA-N 374.366 4.903 0 40 FJAB C[C@@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1ccccn1 28779037 WJVBJMXZHUOCJS-QGZVFWFLSA-N 362.498 4.782 0 40 FJAB CCc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 30758574 LTWHZKIBNBZDCJ-NRFANRHFSA-N 355.478 4.540 0 40 FJAB Cc1ccc(-c2cc(CSc3nccc(C(F)(F)F)n3)on2)cc1 32331698 OWVHNNHQFBJJLI-UHFFFAOYSA-N 351.353 4.751 0 40 FJAB Cc1ccc(C)c(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c1 32957459 UCPCXGCQPUQVKK-UHFFFAOYSA-N 362.425 4.507 0 40 FJAB Cc1cc(C)c2cc(C(=O)Nc3cccc(Oc4cnccn4)c3)[nH]c2c1 33137362 HQNGOUCODKEYBM-UHFFFAOYSA-N 358.401 4.619 0 40 FJAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccc3ccccc23)[nH]n1 44839264 ZSHOWCZLRIDEFU-UHFFFAOYSA-N 361.832 4.813 0 40 FJAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 44933469 JNPGQXWQWDGEEP-QGZVFWFLSA-N 370.924 4.738 0 40 FJAB COc1ccc2nc(NC(=O)c3c(C)oc4ccc(OC)cc34)sc2c1 46086437 UGBPVLVLTGBUDI-UHFFFAOYSA-N 368.414 4.620 0 40 FJAB COc1ccc(-c2nnc(SCCCc3nc4ccccc4o3)o2)cc1 48363534 ULBWRDYEYZIIOZ-UHFFFAOYSA-N 367.430 4.611 0 40 FJAB CC(=O)NCc1ccc(-c2nc(CCc3ccccc3)sc2C)s1 48375286 OFBZADKMMHJWPJ-UHFFFAOYSA-N 356.516 4.601 0 40 FJAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccccc1C(F)(F)F 58173956 VXTLQTDVMSKARB-UHFFFAOYSA-N 355.366 4.538 0 40 FJAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c1 67339286 AWCBBDCAQOLJFK-VQHVLOKHSA-N 369.804 4.915 0 40 FJAB Fc1ccccc1-c1nnc(C2(c3ccccc3Cl)CCOCC2)o1 71889771 HRULVEUTHCXZQY-UHFFFAOYSA-N 358.800 4.626 0 40 FJAB O=C(Nc1nc(-c2ccco2)c(-c2ccncc2)s1)c1ccccc1F 72342512 QZSKQUAFGXGLCS-UHFFFAOYSA-N 365.389 4.857 0 40 FJAB O=C(Nc1ccnn1C1CCCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 73512513 SVINIKTVGUORGD-GJZGRUSLSA-N 363.383 4.759 0 40 FJAB FC(F)(F)c1cnc(NCc2ccc(-n3ccnc3)cc2)c(Cl)c1 84403232 GLXJODPYVNXATC-UHFFFAOYSA-N 352.747 4.552 0 40 FJAB O=C([C@H]1C[C@@H]1c1ccccc1F)N(Cc1ccco1)c1cccc(F)c1 84501915 WPSZKJOWVMIXJS-MOPGFXCFSA-N 353.368 4.895 0 40 FJAB CC(C)(C)Oc1cccc(CN2CCC(c3c[nH]c4ncccc34)CC2)n1 95454144 VKFNTXNXHOEWHJ-UHFFFAOYSA-N 364.493 4.515 0 40 FJAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1=Cc2ccccc2OC1 95975202 TWUOGTMCIXQQSL-AWEZNQCLSA-N 356.491 4.570 0 40 FJAB CSc1cccc(N2C(=S)N[C@H]3c4ccccc4O[C@@]2(C)[C@H]3C)c1 101390431 XAGQLSGNKZKLJZ-WILYLXEWSA-N 356.516 4.589 0 40 FJAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 113945758 AFVNOPDYQHHNHU-QGZVFWFLSA-N 363.457 4.711 0 40 FJAB CCOc1ccc(C(=O)N[C@@H]2CCCc3cc(OC)ccc32)cc1Cl 223180617 RGRFTTKPBOBIKY-GOSISDBHSA-N 359.853 4.555 0 40 FJAB CCc1ccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224981022 BCDZZEXKTALHQH-UHFFFAOYSA-N 359.469 4.654 0 40 FJAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572356 BVVIZMIGFURIOW-UHFFFAOYSA-N 371.452 4.610 0 40 FJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12 225905145 JVRUCLQLUIDHEC-NRFANRHFSA-N 358.482 4.803 0 40 FJAB COC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 226340386 CXRMQFGKUNPYEK-UHFFFAOYSA-N 369.642 4.777 0 40 FJAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Cl 260781639 UEOGBWMNZFOLTR-NXOUGTEYSA-N 373.909 4.723 0 40 FJAB Cc1ccc(OCc2ccccc2)c(NC(=O)CCc2cncs2)c1 512701248 LBBFTSSVBWEYPV-UHFFFAOYSA-N 352.459 4.602 0 40 FJAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 709387 HKHOBWATYOFWSC-UHFFFAOYSA-N 363.866 4.709 0 40 FJAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(N)cc3s2)c(C)c1 712855 IORSEUJAZCCCPL-ZDUSSCGKSA-N 371.531 4.923 0 40 FJAB CCc1ccccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 2159047 FFVGQNNKWKCZLA-UHFFFAOYSA-N 361.441 4.591 0 40 FJAB biogenic CCCOc1ccc([C@@H](O)[C@H](CN2CCCCC2)c2ccccc2)cc1 2294687 MAZZASHVOPNVPI-DHIUTWEWSA-N 353.506 4.779 0 40 FJAB CCOCCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2428439 QOFBDWRMKLYPFS-UHFFFAOYSA-N 366.852 4.727 0 40 FJAB Cc1ccc(C)n1-n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 3195607 UGPOSKDKWLAHQH-UHFFFAOYSA-N 355.850 4.508 0 40 FJAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc(Cl)cc1 3266107 OYDYNXWCDZCHFN-UHFFFAOYSA-N 360.812 4.717 0 40 FJAB O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccc1 3899678 TZCIQTXJNXQVIJ-JOCHJYFZSA-N 351.409 4.827 0 40 FJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)CCC2 6217456 DDFSIENLFJWTMA-UHFFFAOYSA-N 373.452 4.772 0 40 FJAB O=C(/C=C/c1ccccc1Cl)Nc1ncccc1OCc1ccccc1 6392847 IBHIGFAEPOIWAE-OUKQBFOZSA-N 364.832 4.966 0 40 FJAB CC(=O)Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 6669252 BPVYFEGUTGSQFS-UHFFFAOYSA-N 359.381 4.653 0 40 FJAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 8237485 GOWZYBAUYMTIDD-LLVKDONJSA-N 364.228 4.996 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)Sc1ncnc2c1oc1ccccc12 8881647 MKXFAWTYOIJPEY-ZDUSSCGKSA-N 363.442 4.804 0 40 FJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 9063952 BGTIYJFMSSQLKU-UHFFFAOYSA-N 357.413 4.556 0 40 FJAB C[C@H](Sc1ccc(Cl)nn1)C(=O)Nc1ccccc1-c1ccccc1 10653493 POHUPULDPOXYJO-ZDUSSCGKSA-N 369.877 4.916 0 40 FJAB COc1cccc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)oc12 10748547 PESGFDVOTCRTKE-UHFFFAOYSA-N 364.426 4.746 0 40 FJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1)O[C@H](C)C2 12563596 KXSSHQLBDXJLTN-OLZOCXBDSA-N 374.868 4.501 0 40 FJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 12782280 NDGWWWTVXJLJDZ-UHFFFAOYSA-N 363.244 4.681 0 40 FJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(F)cc4)nc32)cc1 21801177 VYHXZGGBIOMFGW-UHFFFAOYSA-N 371.419 4.800 0 40 FJAB Cc1ccccc1CS(=O)(=O)N[C@H](c1ccccc1)c1ccccc1C 22514924 JDVKTFWINVQQLB-JOCHJYFZSA-N 365.498 4.512 0 40 FJAB CCOc1ccccc1NCC(=O)Nc1c(Cl)cccc1C(F)(F)F 24040497 KISZRSRKRCATSW-UHFFFAOYSA-N 372.774 4.808 0 40 FJAB COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1F 24466020 CUOJKTSSPPFFIM-UHFFFAOYSA-N 361.463 4.800 0 40 FJAB COC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 27843639 FVIBFMBTKOCWJO-MFHRBDBFSA-N 362.554 4.612 0 40 FJAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 28231249 LQECUAOXXSASOG-UHFFFAOYSA-N 373.378 4.819 0 40 FJAB O=C(c1ccc(-c2cccs2)cc1F)N1CCO[C@H](c2ccccc2)C1 32963249 PCTVSQXKDVUJAB-IBGZPJMESA-N 367.445 4.768 0 40 FJAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 40114853 KOQXZFYCEAMUGV-KUHUBIRLSA-N 355.869 4.764 0 40 FJAB CC(=O)N(C)Cc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C 56394578 JISFETRIYSKTOW-UHFFFAOYSA-N 364.445 4.589 0 40 FJAB Cc1ccc(C)c2c(C)c(C(=O)NCc3ccccc3-n3ccnc3C)oc12 61623963 GXMLJVNMHWJJOI-UHFFFAOYSA-N 373.456 4.782 0 40 FJAB CCc1ccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)cc1 71326682 IBWFCOHKSHZXIG-UHFFFAOYSA-N 357.523 4.689 0 40 FJAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC[C@H](c2ccccc2)C1 89828098 BRFCPBPCZQVEDD-KRWDZBQOSA-N 365.404 4.627 0 40 FJAB O=C(CSCc1ccccc1)NCc1ccccc1-c1ccsc1 96122895 ONOPQSPFWHOWDO-UHFFFAOYSA-N 353.512 4.965 0 40 FJAB CC(=O)Nc1nc(CN[C@H](c2ccc(CC(C)C)cc2)C(C)C)cs1 96955997 GKDBEEWVHOGECZ-IBGZPJMESA-N 359.539 4.787 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(Cl)cc3)nnc12 100265452 WVTSSCXGAONZSN-DJJJIMSYSA-N 373.909 4.675 0 40 FJAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717914 DSZKELGGTYAWJS-INIZCTEOSA-N 370.880 4.674 0 40 FJAB C[C@H](c1ccccc1)N(Cc1ccncc1)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 105549142 YLBRGPDFOXNXKK-GKBFQHABSA-N 365.546 4.708 0 40 FJAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCC(OCc3ccccc3)CC1)C2 107334843 YEKBJFCDMWHIBN-LEDOBFOHSA-N 370.537 4.592 0 40 FJAB O=C1NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)S1 113834488 ABQJUTRUVSRJLB-XDHOZWIPSA-N 361.422 4.743 0 40 FJAB Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1N1CCCC1=O 223244314 UBDDKZXBXCXEMF-UHFFFAOYSA-N 362.473 4.572 0 40 FJAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223410759 SVZNIECNFYSICA-INIZCTEOSA-N 357.519 4.660 0 40 FJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224155421 DDCZZUOCOZPJBW-VQTJNVASSA-N 362.502 4.641 0 40 FJAB O=C(Nc1cccc(Cl)c1)c1snnc1-c1ccc(Cl)cc1 225769752 OHIHVLKHFXCLFO-UHFFFAOYSA-N 350.230 4.764 0 40 FJAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc2sc(N)nc12 226310546 LAULIWACPGUAJL-UHFFFAOYSA-N 352.246 4.746 0 40 FJAB C[C@@H](Cc1cncc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1 553593387 MKMWYOIMNMZXNF-INIZCTEOSA-N 366.892 4.816 0 40 FJAB Cc1c(CSC(C)C)cccc1NC[C@@H]1CCCO[C@H]1c1ccnn1C 597032321 LZOBVPSXOQNZAI-LAUBAEHRSA-N 373.566 4.950 0 40 FJAB COC(=O)C(C[C@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl 2145284 BFCHNYBQSMYWKR-CYBMUJFWSA-N 354.060 4.754 0 40 FJAB CCCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1CCCC2 2295506 OTZOZBPMLMHRDL-UHFFFAOYSA-N 354.523 4.917 0 40 FJAB Cc1cc(C)cc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)c1 3271838 BQPUYTHWYADNHS-UHFFFAOYSA-N 371.521 4.954 0 40 FJAB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 3347610 PHSZKTGMABHLLE-LJQANCHMSA-N 374.484 4.725 0 40 FJAB CCOC(=O)c1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 4072478 ULOWQKRSWIPPOW-UHFFFAOYSA-N 358.463 4.506 0 40 FJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1 5358374 YWSCBJWOOOHGDT-SFHVURJKSA-N 351.475 4.509 0 40 FJAB O=C(Nc1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccccc1 5871302 RVNCLMJCARAEDC-UHFFFAOYSA-N 351.789 4.812 0 40 FJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/C=C/c1ccccc1 6227401 VNDNIMFLUHWVAS-CFSDDKQLSA-N 351.409 4.611 0 40 FJAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 7221190 RVZKPOZKVGEZBE-HNNXBMFYSA-N 360.413 4.521 0 40 FJAB Cc1cccc(C)c1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580333 CLEAPVLCWCIHSR-UHFFFAOYSA-N 354.475 4.599 0 40 FJAB COc1ccc([C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 7922897 ADWYKCMNVDLAIV-LJQANCHMSA-N 365.395 4.770 0 40 FJAB CSc1ccc(C(=O)CCC(=O)N[C@@H]2CCCc3ccccc32)cc1 7988562 UBLDTHOURBOYCP-LJQANCHMSA-N 353.487 4.565 0 40 FJAB COc1ccccc1NC(=O)Nc1ccc(Br)c(Cl)c1 8169348 CXRTVOFHCHXMEM-UHFFFAOYSA-N 355.619 4.755 0 40 FJAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9192042 SPMQWHSBIBRSMO-UHFFFAOYSA-N 368.864 4.542 0 40 FJAB CN(C(=O)NCCCCOc1ccccc1)[C@@H]1CCCc2ccccc21 9460105 STVKJXKMLLKPLU-OAQYLSRUSA-N 352.478 4.565 0 40 FJAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 9946763 NNJQMTWJXKFLMM-INIZCTEOSA-N 365.502 4.737 0 40 FJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H]1c1ccccc1Cl 10818646 VHVIBRWRUOKPDU-QWHCGFSZSA-N 355.850 4.601 0 40 FJAB Cc1cc2c(cc1NC(=O)C1c3ccccc3Oc3ccccc31)OCO2 12446799 QFQCFGKQKYOJSI-UHFFFAOYSA-N 359.381 4.600 0 40 FJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1Cl 12533676 QUBWPAYRDKQTCE-UHFFFAOYSA-N 352.246 4.601 0 40 FJAB C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 13672276 RTXVMWCEBBAWEJ-CQSZACIVSA-N 365.926 4.818 0 40 FJAB CCC(=O)Nc1ccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 14229054 XDCLKLMOCXFBBE-UHFFFAOYSA-N 368.458 4.843 0 40 FJAB O=C(Nc1nccs1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 15905991 VHCFZHZTUGKOFM-FOWTUZBSSA-N 372.396 4.924 0 40 FJAB OC(CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 20365319 VGTNRBVPUGJJSA-UHFFFAOYSA-N 371.402 4.731 0 40 FJAB CCOC(=O)c1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1Cl 20483127 SMEIJXZCZUPIBI-UHFFFAOYSA-N 361.825 4.556 0 40 FJAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 22514497 CNAJTMYQGPFFKZ-QGZVFWFLSA-N 369.505 4.855 0 40 FJAB Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 24383895 BZFYNFCUBVTBGW-QGZVFWFLSA-N 366.486 4.737 0 40 FJAB COc1ccc2nc(C)c(C(=O)N[C@H](c3cccs3)C(C)C)cc2c1 25812806 SVACWVCELMXESJ-IBGZPJMESA-N 354.475 4.740 0 40 FJAB Cc1cccc(CSCC(=O)NCc2cccc(C(F)(F)F)c2)c1 25981604 ZGOKWUOVRLUXQI-UHFFFAOYSA-N 353.409 4.563 0 40 FJAB COc1ccc(-c2nsc3c2N=C(O)C[C@H]3c2cccc(OC)c2)cc1 32095398 UQSDAQCVCOBHKA-INIZCTEOSA-N 366.442 4.951 0 40 FJAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCC(F)(F)F 32794171 RWRXSRQYUDTGRK-INIZCTEOSA-N 373.827 4.841 0 40 FJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCCC[C@@H]2c2cccn2C)c1 32841736 AJUWFQRWDZRCSU-OAQYLSRUSA-N 368.521 4.980 0 40 FJAB Cc1ccc2c(CC(=O)Nc3ccc(Br)cc3)coc2c1C 39883741 LIWVQZJHRSAINA-UHFFFAOYSA-N 358.235 4.993 0 40 FJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccccc1C(F)(F)F 44608016 CFYUCPFCVRTOMT-ZDUSSCGKSA-N 358.404 4.907 0 40 FJAB Cc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC2(C)C)cc1 45932724 ROJRAQBJJRFSQZ-UHFFFAOYSA-N 356.878 4.657 0 40 FJAB COc1ccc(C(=O)N2CN(C(C)(C)C)Cc3c2sc(C)c3C)cc1 54350456 OEPXBIAIRJLKLT-UHFFFAOYSA-N 358.507 4.592 0 40 FJAB O=C1C[C@H](c2ccco2)c2sc(C(=O)O)c(-c3ccccc3Cl)c2N1 61719225 NZAYMFVFTKXHNX-SNVBAGLBSA-N 373.817 4.834 0 40 FJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(Br)c1 71844255 OBTZSPHXKRIKJV-ROUUACIJSA-N 373.294 4.643 0 40 FJAB CC(C)c1noc2ncc(-c3nnc(COc4ccc(Cl)cc4)o3)cc12 71890680 MUXKVBPBMSXJTQ-UHFFFAOYSA-N 370.796 4.629 0 40 FJAB Cc1ccc(Nc2nc(Nc3ccccc3)nc3c2cnn3C)cc1Cl 72238764 NLZZTVBBWKYZFE-UHFFFAOYSA-N 364.840 4.812 0 40 FJAB O=C1N=C(Nc2cccc(OC(F)(F)F)c2)/C(=C\c2cccnc2)S1 72401314 NCZCFZFDMQJLEO-NTUHNPAUSA-N 365.336 4.699 0 40 FJAB Cc1ccc(-c2ccsc2C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1 89641058 DXBZATBYQGKJIZ-HKUYNNGSSA-N 357.519 4.785 0 40 FJAB c1ccc(CN2C[C@@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@H]3C2)cc1 96245627 NRDJASDCGQPBAS-CLJLJLNGSA-N 368.524 4.917 0 40 FJAB O=S(=O)(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 98064853 MLCGMPJHRFXTGO-CMDGGOBGSA-N 361.772 4.771 0 40 FJAB CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(C)cc1 116172512 XEPWFQZZKAAVOE-QFIPXVFZSA-N 361.489 4.738 0 40 FJAB CC[C@@H](C(=O)NCc1ccc([C@H](O)c2ccsc2)s1)c1ccccc1 206689209 XBVWKPQPWJECOH-IEBWSBKVSA-N 371.527 4.701 0 40 FJAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219057483 IRGWNKOQMZLQHQ-CJNGLKHVSA-N 359.853 4.526 0 40 FJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223080984 MZBHMQJHZRRADT-SJORKVTESA-N 357.548 4.757 0 40 FJAB Cc1ccc(C)c(OCCNC(=O)CCc2c(Cl)cccc2Cl)c1 224050357 PESFJRJNKUSADN-UHFFFAOYSA-N 366.288 4.738 0 40 FJAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3)o2)c1 224845243 DVOWILYPSZZTPF-UHFFFAOYSA-N 356.809 4.575 0 40 FJAB COc1ccc(CSCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224940676 LCLWAROKTUDLID-UHFFFAOYSA-N 370.518 4.557 0 40 FJAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 225315494 RRFSOYHDMMWKNQ-DEOSSOPVSA-N 359.469 4.842 0 40 FJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 225868786 SSVRDTQIMSBAFG-UHFFFAOYSA-N 358.869 4.893 0 40 FJAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)cc1 1666294818 ZVNDLLSEUYHTQL-UWJYYQICSA-N 357.519 4.767 0 40 FJAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1 1775978473 SCNFHIPAFHFNSP-WOJBJXKFSA-N 365.498 4.759 0 40 FJAB CC[C@H](C)c1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 1624251 PDJLSVCTOBJODT-ZDUSSCGKSA-N 366.486 4.869 0 40 FJAB COC(=O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2338994 VXJPDARJYHEZRT-UHFFFAOYSA-N 370.499 4.502 0 40 FJAB CCCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2 2752826 TVEHWQKYEJVWRX-UHFFFAOYSA-N 361.438 4.585 0 40 FJAB O=C(/C=C/c1ccccc1)NC(=S)N(Cc1ccccc1)c1ccccc1 2802088 BBCKLPMPDQAPAR-WUKNDPDISA-N 372.493 4.808 0 40 FJAB Fc1ccc(C(Sc2nnc3ccccn23)c2ccc(F)cc2)cc1 3486569 MROKCXJZZFDRTH-UHFFFAOYSA-N 353.397 4.889 0 40 FJAB CC(C)CCN1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O 4704031 RVZWPNCBOXSRKK-UHFFFAOYSA-N 351.490 4.797 0 40 FJAB CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 5842062 WNOAHMDWVXEDBX-UHFFFAOYSA-N 351.233 4.840 0 40 FJAB COc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)c1 6260137 STJRTHTUKPHTRA-VMPITWQZSA-N 366.642 4.763 0 40 FJAB Cc1csc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)n1 6377044 XGJCVTMXAGFADL-UHFFFAOYSA-N 366.471 4.618 0 40 FJAB Cc1cc(COC(=O)c2cc(-c3cccs3)nc3ccccc23)no1 7835788 KUWHVMRZAITCMF-UHFFFAOYSA-N 350.399 4.617 0 40 FJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 8040731 AUGAZYFKLXGKGW-HNNXBMFYSA-N 368.658 4.899 0 40 FJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1C 8041299 CBHHOULMPONRBN-AWEZNQCLSA-N 362.267 4.780 0 40 FJAB COc1ccccc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O 8277666 UEYQOOSFUXSTOG-MHWRWJLKSA-N 358.850 4.549 0 40 FJAB Cc1ccc(C)c(Nc2nc(Nc3ccc(F)cc3)nc3nccnc23)c1 9075025 SFKAJWDPEXCQPW-UHFFFAOYSA-N 360.396 4.663 0 40 FJAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 11024386 ULRAOEOTBMTJKC-KRWDZBQOSA-N 373.452 4.812 0 40 FJAB CN(Cc1nc2ccccc2n1CCCc1ccccc1)C(=O)c1ccco1 12539636 DQDLVCBKELERLC-UHFFFAOYSA-N 373.456 4.534 0 40 FJAB Clc1ccc(-c2noc(CSc3nncc4ccccc34)n2)cc1 12867554 WITJMLKBQKZFAP-UHFFFAOYSA-N 354.822 4.626 0 40 FJAB COc1ccc(-c2nc(CSCCOc3cccc(C)c3)co2)cc1 12971300 PIRRKOBCRDWNPL-UHFFFAOYSA-N 355.459 4.971 0 40 FJAB O=C(COc1ccccc1Cl)N[C@H](c1ccccc1)c1cccs1 12981724 SMOUKMMGBUJWBH-LJQANCHMSA-N 357.862 4.686 0 40 FJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H](C)c1ccccc1 14934559 HDFBJFVLPZZIPH-ZDUSSCGKSA-N 371.843 4.507 0 40 FJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)c2cccnc12 15840862 CAHOCSCYNIEUJO-HNNXBMFYSA-N 364.445 4.602 0 40 FJAB Cc1cc2c(cc1CN[C@H](Cc1ccsc1)c1ncccc1C)OCO2 19237637 HXFCKPMELWZXIW-GOSISDBHSA-N 366.486 4.562 0 40 FJAB COc1cccc(CN[C@H](Cc2ccsc2)c2ncccc2C)c1OC 19237648 YMZODYJPHJAWJW-GOSISDBHSA-N 368.502 4.542 0 40 FJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 19882344 WOMZEAVNHHIEIG-UHFFFAOYSA-N 373.811 4.500 0 40 FJAB CC(C)(C)C(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20312979 VAIMDRUTKHORLF-INIZCTEOSA-N 369.852 4.642 0 40 FJAB Cc1ccc(-c2csc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1F 21795917 DQJFKRUXMOYDLJ-UHFFFAOYSA-N 368.408 4.760 0 40 FJAB O=C(CCCc1cccs1)Nc1ccnn1Cc1ccccc1Cl 23053387 RXTREHBCPBHUKS-UHFFFAOYSA-N 359.882 4.608 0 40 FJAB O=C(CS/C(=C\C=C\c1ccccc1)C(=O)O)Nc1ccc(Cl)cc1 27642470 LKRDACCQVSWURA-GUSDSWBTSA-N 373.861 4.694 0 40 FJAB CC(C)OCc1ccccc1CNC(=O)c1ccccc1C(F)(F)F 30368254 AWQRQTPJXJFWCL-UHFFFAOYSA-N 351.368 4.560 0 40 FJAB CCOc1cccc2cc([C@@H](C)NC(=O)N[C@H](C)c3ccccc3)oc12 32802166 KKADTLYWVILLIP-HUUCEWRRSA-N 352.434 4.953 0 40 FJAB CCC[C@H]1CN(CCCc2ccc(COc3ccccc3)cc2)CCO1 34578337 AIBGFONRBUKNGN-QHCPKHFHSA-N 353.506 4.699 0 40 FJAB biogenic Fc1ccc2oc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 35446917 PBHOPUXTAPAFIU-ZDUSSCGKSA-N 364.342 4.975 0 40 FJAB biogenic,in-vitro O=C(NCC1(c2cccs2)CC1)C1c2ccccc2Oc2ccccc21 38593041 STEHQSKTLMAFHL-UHFFFAOYSA-N 361.466 4.834 0 40 FJAB O=C(CCc1ccsc1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 40110770 SUDAMZQHQBCTON-UHFFFAOYSA-N 374.481 4.977 0 40 FJAB O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1 62017502 AHDOYSCKFXACBY-UHFFFAOYSA-N 367.167 4.827 0 40 FJAB Cc1cc(C)c2c(CC(=O)Nc3nnc(-c4ccccc4)o3)coc2c1C 72242859 TYAWVHGPKYTBLU-UHFFFAOYSA-N 361.401 4.589 0 40 FJAB COc1ccc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 72390147 ICGMREFNADJDRV-QGZVFWFLSA-N 355.463 4.534 0 40 FJAB CC(C)n1ccc2c(NC(=O)CCc3nc(-c4ccccc4)no3)cccc21 95472739 RONJFIUJJNBYCL-UHFFFAOYSA-N 374.444 4.844 0 40 FJAB Nc1nc(-c2cccc(Br)c2)cc(-c2cc3ccccc3o2)n1 96137213 OHCCPSNRFDEEMJ-UHFFFAOYSA-N 366.218 4.902 0 40 FJAB Cc1cnccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 107288791 NWRDMJFKGNRWSB-UHFFFAOYSA-N 370.408 4.724 0 40 FJAB CC(=O)[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118935284 BWTUOEBFEPGMCK-MHFUIECGSA-N 358.522 4.619 0 40 FJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223075055 WMRNZJPHTBNZIF-OPAMFIHVSA-N 367.489 4.609 0 40 FJAB CCSc1nnc(NC(=O)c2cc3c(ccc4ccccc43)o2)s1 223871709 PAIULKHOBSTRGS-UHFFFAOYSA-N 355.444 4.802 0 40 FJAB Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)c(C)c1 224007124 HZVVYUVTTAGGRV-UHFFFAOYSA-N 351.874 4.759 0 40 FJAB Fc1cc(Br)ccc1NC(=S)NCc1ccccc1Cl 225371751 IAVAROHECSZVIL-UHFFFAOYSA-N 373.678 4.728 0 40 FJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(OC(C)C)cc1 225704876 ZPMVYIKKSRVVIF-FQEVSTJZSA-N 370.518 4.846 0 40 FJAB c1ccc(CN[C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 245227436 MGXJQLLOZXQAEP-DQEYMECFSA-N 356.513 4.835 0 40 FJAB CN(Cc1ccc(Br)c(F)c1)Cc1ccc2cnccc2c1 683840908 KPTIDFUAVWAAGN-UHFFFAOYSA-N 359.242 4.768 0 40 FJAB Cc1cncc(CCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c1 1596060478 LCQIOMKBPMWPBM-SFTDATJTSA-N 350.506 4.801 0 40 FJAB Clc1ccc(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1775973507 ILFAKZXXQRDCHB-SEIRJHJZSA-N 356.941 4.735 0 40 FJAB Cc1cccc(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)c1 995025 WUFWYXNKAZUYPI-UHFFFAOYSA-N 364.408 4.643 0 40 FJAB Cc1cc(N)cc(C)c1-c1c(Br)cc(N)cc1Br 1675953 HMWQYKGAJZEVGV-UHFFFAOYSA-N 370.088 4.660 0 40 FJAB CC(C)Cn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2252801 GXZGEJAGMOCGCF-UHFFFAOYSA-N 354.519 4.987 0 40 FJAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CC(C)(C)SC4)c1 2300972 XLLHXERMWUOELR-UHFFFAOYSA-N 374.556 4.986 0 40 FJAB C[C@@H]1CCCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 2735141 MRGJXMGXQNYXHC-LJQANCHMSA-N 362.517 4.690 0 40 FJAB Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1Br 3378935 CPPAIUZFKBOFEZ-UHFFFAOYSA-N 362.120 4.566 0 40 FJAB Fc1cccc(Cl)c1COc1ccc(I)cc1 3427606 PJBKEHRTZGQWSI-UHFFFAOYSA-N 362.569 4.663 0 40 FJAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1C 4033296 MSXZYCSUIRYSHE-GOSISDBHSA-N 361.489 4.830 0 40 FJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 4741897 MZRVAUAUNAVGHT-FQEVSTJZSA-N 361.445 4.669 0 40 FJAB Cc1ccc(SCC(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)cc1C 4768720 OMEHJDJIZHCDCM-UHFFFAOYSA-N 371.502 4.575 0 40 FJAB Cc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 4848424 FSHZBBIWLWCYKY-UHFFFAOYSA-N 357.413 4.651 0 40 FJAB Cc1onc(-c2ccccc2)c1C(=O)OCc1ncc(-c2ccccc2)o1 5244276 HQEZQOZCBQCRLJ-UHFFFAOYSA-N 360.369 4.662 0 40 FJAB Cc1ccc(-n2c3c(c(O)c(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 5443029 OCMXXPWWONWPRN-UHFFFAOYSA-N 373.452 4.674 0 40 FJAB Nn1cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1Cl 5560707 NQJAYOVPRVHUCX-UHFFFAOYSA-N 350.274 4.863 0 40 FJAB O=C(Nc1ccc(Cl)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 5728899 HEDRWULTYDFQAO-UHFFFAOYSA-N 374.149 4.912 0 40 FJAB O=C(CSc1nnc(Cc2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 6543831 WHMRXUJZIFAXMJ-UHFFFAOYSA-N 368.502 4.538 0 40 FJAB Cn1c(=O)cc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)c2ccccc21 6667980 MZUCILPNLOGHPD-HEFCMCLBSA-N 351.471 4.746 0 40 FJAB CCN(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)C1=CCCC1 6850335 GKCOVZQJEMZWBB-UHFFFAOYSA-N 364.820 4.762 0 40 FJAB CCOc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 6881881 KMZXNIRUBZOQDT-QFIPXVFZSA-N 361.441 4.613 0 40 FJAB O=C(NOCc1ccccc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 8096707 PKEDAACQHVCDQW-UHFFFAOYSA-N 372.399 4.903 0 40 FJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc3ncccc23)c1 8734323 NUJACPLSGOEFOG-UHFFFAOYSA-N 373.412 4.671 0 40 FJAB O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1CCc1ccccc1 9355396 PVQMWLVVRLWXKZ-HSZRJFAPSA-N 352.437 4.956 0 40 FJAB Cc1c(C(=O)N(C)c2nc3c(s2)CCc2occc2-3)oc2ccccc12 12181848 RFMXJEYQQFHEIH-UHFFFAOYSA-N 364.426 4.833 0 40 FJAB CCn1ncc2c(C(=O)Nc3ccccc3C)cc(-c3ccccc3)nc21 12618316 PYFTZRUBPNCJNR-UHFFFAOYSA-N 356.429 4.679 0 40 FJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1 12902483 SBRNRCYIFFJBBR-UHFFFAOYSA-N 369.848 4.943 0 40 FJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Br 12932090 BVJAOFGUMRNLFB-MRXNPFEDSA-N 364.670 4.984 0 40 FJAB Cc1ccc(C)c(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 12981533 WBMRXZSPVMQJIO-UHFFFAOYSA-N 350.487 4.708 0 40 FJAB Cc1cc(NC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ccc1Cl 13114545 IGVVJHXJCOQOJF-IYBDPMFKSA-N 372.896 4.510 0 40 FJAB COC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 13760831 FVIBFMBTKOCWJO-SCYKMPJCSA-N 362.554 4.612 0 40 FJAB Clc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13769825 VPTKCBYAAKRISR-TZIWHRDSSA-N 361.832 4.977 0 40 FJAB CN(Cc1ccsc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 18216962 PKWIOGFUIDVITL-UHFFFAOYSA-N 359.454 4.631 0 40 FJAB Cc1[nH]c2c(C(=O)N[C@H](c3ccccc3)c3ccncc3)cccc2c1C 19576938 UDNVNEJSBWDWFE-OAQYLSRUSA-N 355.441 4.699 0 40 FJAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1 20038601 GHHCJKBLQLOKPG-CYBMUJFWSA-N 372.317 4.791 0 40 FJAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c3cc(F)ccc3n2)cc1 20636338 TXUKNMWMDPLRBA-UHFFFAOYSA-N 373.387 4.697 0 40 FJAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2C[C@H]2C)c2ccccc2)cc1Cl 20751690 OUKYUAKZYAHJAS-MZMPZRCHSA-N 357.837 4.527 0 40 FJAB CC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 21887029 IKFYJDFAWWPFOK-UHFFFAOYSA-N 370.758 4.612 0 40 FJAB CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21 22507793 VRWKPCDEZOAWJW-UHFFFAOYSA-N 351.450 4.718 0 40 FJAB CCc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)sc1C 26983543 NMCXCTPWPAIJBQ-UHFFFAOYSA-N 351.855 4.686 0 40 FJAB CC(=O)[C@@H](C)n1c(SCCOc2cccc(C)c2)nc2ccccc21 28304798 KVTJUONQZHAECI-OAHLLOKOSA-N 354.475 4.666 0 40 FJAB CC(C)c1ccc(-n2ccnc2SCc2nnsc2Cl)cc1 29902554 XCCRENPPZLYWOZ-UHFFFAOYSA-N 350.900 4.793 0 40 FJAB Cc1nc(CSCCC(=O)N[C@H](c2cccs2)C(C)C)cs1 32421857 NTSNEISKJSBUSV-INIZCTEOSA-N 354.566 4.650 0 40 FJAB C[C@H](NC(=O)CCCC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 32909215 SKDKJLKDDNARCG-HILYYZTDSA-N 359.535 4.822 0 40 FJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 32976310 DADDPDXUWXFDMZ-SNVBAGLBSA-N 364.829 4.803 0 40 FJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1csc(Br)c1 37500536 GHSAZPOYGBICET-UHFFFAOYSA-N 363.236 4.782 0 40 FJAB Cc1ccc(OCCN(C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 58291415 VYOLLMZCWZOMPP-OAHLLOKOSA-N 371.868 4.770 0 40 FJAB O=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@@H](c2ccccc2)C1 58381514 MXPUQGPQEZEGHX-GOSISDBHSA-N 367.445 4.768 0 40 FJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C 65539167 YNPZDKNRXIIUOK-OALUTQOASA-N 352.478 4.633 0 40 FJAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)cc1 67339718 WRFZIDWYMPJOOQ-PKNBQFBNSA-N 363.413 4.960 0 40 FJAB Cn1ccc2c(NC(=O)Cc3csc(-c4cccs4)n3)cccc21 72401234 FIKUSQLMSSTPOJ-UHFFFAOYSA-N 353.472 4.545 0 40 FJAB Cc1cccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 75244735 TUVKXJQVSYUBKT-UHFFFAOYSA-N 359.469 4.911 0 40 FJAB CCc1cccc(CC)c1N1C(=O)[C@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O 100394311 TXLNPMJVWKULQQ-HKBOAZHASA-N 361.485 4.885 0 40 FJAB Cn1/c(=N/C(=O)c2cccc(Oc3ccccc3)c2)sc2ccccc21 100811292 FZTVQJRSFJJXSF-DQRAZIAOSA-N 360.438 4.773 0 40 FJAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2-c2csc(C)n2)cc1 206895441 ARUUTCSRZNFPRD-VAWYXSNFSA-N 370.499 4.840 0 40 FJAB CC(C)(C)NC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223883369 FDQVHAOZWADMGH-UHFFFAOYSA-N 351.928 4.971 0 40 FJAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(OC)c(C)c1 224081618 JCHYYUZWBCXCKQ-SFHVURJKSA-N 361.869 4.612 0 40 FJAB CC(C)(C)c1ccc(OCCNC(=O)Cc2ccc(Cl)cc2F)cc1 225182161 MXNDTCRAUSLHMA-UHFFFAOYSA-N 363.860 4.514 0 40 FJAB COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(Cl)cc1)CC2=O 225380305 AMSSKMQYIKROLP-OAHLLOKOSA-N 367.832 4.866 0 40 FJAB Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCC[C@H]1C 226330094 MHDPWPXBFGUIHR-CQSZACIVSA-N 357.885 4.862 0 40 FJAB Cc1ccccc1OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 226855878 DLVUMZHVDQFNMU-UHFFFAOYSA-N 351.638 4.723 0 40 FJAB O=C(c1cccnc1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1 257304769 SNCDSWUGGGMCAT-NRFANRHFSA-N 361.420 4.650 0 40 FJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)c1 408698582 OFLWQRJSQSVPFX-UHFFFAOYSA-N 372.403 4.634 0 40 FJAB Cc1cn(C2CCCCC2)nc1NC(=O)NCc1ccc2occc2c1 666669362 VTDPEPIQXIVVFL-UHFFFAOYSA-N 352.438 4.765 0 40 FJAB O=C(NCCCCc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1220826401 BMRIQSQHCFNYRQ-KESTWPANSA-N 356.897 4.908 0 40 FJAB CC1(C)C(=O)O[C@H](c2ccc(Br)cc2)C2(CCCCC2)C1=O 709419 SXOVKGZOQVTZBV-CQSZACIVSA-N 365.267 4.593 0 40 FJAB Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2o1 809544 ASKJIERTOZVHNN-UHFFFAOYSA-N 372.380 4.784 0 40 FJAB Cc1ccc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C)n3n2)cc1C 1517087 SWGVGPSGLROIEY-UHFFFAOYSA-N 374.419 4.713 0 40 FJAB CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1 3218430 ZNIBXKMTVLFKHN-UHFFFAOYSA-N 374.531 4.774 0 40 FJAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 4487766 PLUPHLVLLVKIFG-UHFFFAOYSA-N 374.396 4.764 0 40 FJAB Cc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1 4594716 MDORROUASXRANP-UHFFFAOYSA-N 364.426 4.604 0 40 FJAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(Cl)ccc1Cl 6174814 KOIGJMCATUCSOS-VQHVLOKHSA-N 352.217 4.663 0 40 FJAB O=C(CSc1nc2ccc(Cl)cc2o1)N1CCCc2ccccc21 6399934 MVLOKPCBHXXQBT-UHFFFAOYSA-N 358.850 4.553 0 40 FJAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 6590543 URWQXOPTWCMRQJ-HNNXBMFYSA-N 354.456 4.507 0 40 FJAB C[C@@H](Sc1nccn1-c1cccc(F)c1)c1nnc(-c2cccs2)o1 6650041 XQIVXBOSZNGPGO-LLVKDONJSA-N 372.450 4.976 0 40 FJAB CCc1ccc(N(CC(=O)c2ccc(C)cc2)C2=NCCCS2)cc1 6870947 KNIXBBQJGCSGNV-UHFFFAOYSA-N 352.503 4.740 0 40 FJAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1Br 7651547 WAYLEZGJVBPRJS-JTQLQIEISA-N 370.649 4.662 0 40 FJAB COc1ccc(CN(C)c2cc(C)c3cc(C)cc(C)c3n2)cc1OC 7814744 WBSLIIAQJSCXGZ-UHFFFAOYSA-N 350.462 4.814 0 40 FJAB Cc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 8510555 RCKSPCKHFLFCNX-KRWDZBQOSA-N 365.502 4.689 0 40 FJAB CN1C(=CC(=O)Nc2ccc(Br)cc2)C(C)(C)c2ccccc21 8654475 XDMWKFOUIVOEDL-UHFFFAOYSA-N 371.278 4.699 0 40 FJAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 9423605 IDWHQYJZGPANFW-QFIPXVFZSA-N 371.440 4.725 0 40 FJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc(Cl)c1OC 9956378 MDJPXDUMVXJCLK-DOJUMQAQSA-N 371.864 4.734 0 40 FJAB O=C(CSCc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2 11103108 HTUKFIQDSUAWJL-UHFFFAOYSA-N 354.500 4.657 0 40 FJAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1SC 12529167 QKRASQQOGWMHHZ-UHFFFAOYSA-N 353.491 4.740 0 40 FJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1)O[C@@H](C)C2 12563598 KXSSHQLBDXJLTN-STQMWFEESA-N 374.868 4.501 0 40 FJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccccc3Cl)c12 12777526 FXIQKUPBIBAETD-SNVBAGLBSA-N 355.825 4.553 0 40 FJAB COc1ccc(CN(C)Cc2nc3ccccc3c(C)c2Cl)cc1F 12911418 GYDWWXWBKYWCJE-UHFFFAOYSA-N 358.844 4.976 0 40 FJAB COc1ccc2ccccc2c1CN(Cc1ccncc1)Cc1cccnc1 13989674 LASULXILJNGCRV-UHFFFAOYSA-N 369.468 4.841 0 40 FJAB Cc1noc(C)c1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 14109510 PDYUQQYOKBWKOP-UHFFFAOYSA-N 356.809 4.918 0 40 FJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(C)C)cc1 14184705 LFVUDMFGIFVQIO-UHFFFAOYSA-N 350.462 4.548 0 40 FJAB CCc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 14219092 ASSHILRHSBDGPR-NSHDSACASA-N 358.290 4.595 0 40 FJAB CCCOc1ccccc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 15017309 OGVVITICWROQLF-HNNXBMFYSA-N 360.251 4.516 0 40 FJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 17056987 JPEXQOZUUXAJOH-UHFFFAOYSA-N 369.465 4.818 0 40 FJAB Cc1c(-c2csc(NC(=O)C3CCOCC3)n2)sc2ccccc12 21677668 LEEPHSSTSKUOSC-UHFFFAOYSA-N 358.488 4.698 0 40 FJAB CC[C@@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)c1ccccc1 21704026 ODCZYDCQZJTTIS-HKUYNNGSSA-N 369.530 4.881 0 40 FJAB COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2ccc(Cl)cc2)c1 23637013 NJAKWAZXYOPZJB-GFCCVEGCSA-N 365.882 4.618 0 40 FJAB O=C(Cc1ccsc1)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 24981988 NUVZSLZUJOFSRG-HXUWFJFHSA-N 353.512 4.747 0 40 FJAB CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 26964381 DVPDMHQHZATITH-UHFFFAOYSA-N 350.205 4.877 0 40 FJAB Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)c(C)c1 31420424 JMQXFOHJRALLPO-UHFFFAOYSA-N 358.488 4.892 0 40 FJAB CC(C)c1nc(CSc2nc3ccccc3c(=O)n2C2CC2)cs1 31653828 YVITYIRMDFFVQL-UHFFFAOYSA-N 357.504 4.604 0 40 FJAB CCCCCOc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1 41091701 ZCIBBEBBZHSPKW-UHFFFAOYSA-N 361.507 4.583 0 40 FJAB Cn1cccc1CN(Cc1cccs1)C(=O)CCSc1ccccc1 49409931 JXRBDBJEGLYSJU-UHFFFAOYSA-N 370.543 4.798 0 40 FJAB Cc1csc(N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)n1 58061885 PZBNSZKWSHAEOW-IBGZPJMESA-N 371.550 4.572 0 40 FJAB Cc1nc(CC(=O)N(CCc2ccccc2)Cc2ccccc2)sc1C 58341650 VLWZMEKWPNJSAN-UHFFFAOYSA-N 364.514 4.574 0 40 FJAB COCc1c(C(=O)NC2(c3ccc(F)cc3)CCCC2)oc2ccccc12 58365268 YEIWRUHLPZAJDZ-UHFFFAOYSA-N 367.420 4.918 0 40 FJAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccsc2)s1 69589813 DEPXMCUSLCLDAK-UHFFFAOYSA-N 367.908 4.651 0 40 FJAB CC(=O)N[C@H](CC(=O)O[C@H](Cc1ccccc1)C(C)(C)C)c1cccs1 69596403 VNYNZVMVOVDKQG-IEBWSBKVSA-N 373.518 4.516 0 40 FJAB O=C(CC[C@@H]1CCCO1)N[C@@H](CCCc1ccccc1)c1ccccc1 69924708 VWMAEZURCZCFOI-VXKWHMMOSA-N 351.490 4.826 0 40 FJAB Cn1c(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc2ccccc21 70666437 JHLDRAXMSQLVTG-UHFFFAOYSA-N 363.848 4.512 0 40 FJAB biogenic CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215441 CGHHPTGHTAFXPX-GOSISDBHSA-N 359.514 4.921 0 40 FJAB Cc1n[nH]c(C)c1CCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 75582286 AKDJOTWLYDKAEI-OAQYLSRUSA-N 353.510 4.787 0 40 FJAB O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)/C(=C\c2cccnc2)S1 80328648 MHLPXJCRYSXQNC-MDWZMJQESA-N 365.336 4.699 0 40 FJAB O=C(/C=C/c1ccccc1Cl)NCc1cccc(Oc2ccccn2)c1 96122538 GENSSDLLCHXZFJ-VAWYXSNFSA-N 364.832 4.857 0 40 FJAB O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1Cl 100917429 VAJZSUVEAJEMCW-LBPRGKRZSA-N 359.212 4.522 0 40 FJAB Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H](C)c3cccs3)[nH]c2c1 140097218 PHWTUOOJISAUEW-XJKSGUPXSA-N 354.479 4.541 0 40 FJAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 222676282 HZZQAQSUADGSQR-UXHICEINSA-N 374.569 4.657 0 40 FJAB O=C(Nc1nnc(-c2ccccc2)s1)/C(=C/c1ccco1)c1ccccc1 223589068 GZRXLKIVDCYGGD-NBVRZTHBSA-N 373.437 4.977 0 40 FJAB CCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408585153 BPCHPCYRRRDZDW-UHFFFAOYSA-N 367.228 4.822 0 40 FJAB CC(=O)c1ccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 409174322 RZECNHLALNLWQT-UHFFFAOYSA-N 360.409 4.996 0 40 FJAB O=C(CCc1cnc2ccccc2c1)Nc1ccc(Oc2cccnc2)cc1 564134953 KKERSJSMWMFOBY-UHFFFAOYSA-N 369.424 4.993 0 40 FJAB Clc1ccccc1Cn1cc(CN[C@H]2CCCc3sccc32)cn1 681009969 ZGISTKMUCAYMIM-SFHVURJKSA-N 357.910 4.814 0 40 FJAB CC(C)c1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 935689 XVYANZCUPMNVDG-CQSZACIVSA-N 352.503 4.755 0 40 FJAB Cc1c(/C=C/c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 1082472 IWGMWHMFMGAGRP-PKNBQFBNSA-N 359.256 4.962 0 40 FJAB CCOc1ccc(-c2nn(CNc3ccccc3Cl)c(=S)o2)cc1 1438260 GTBRIHOUFOEHNT-UHFFFAOYSA-N 361.854 4.994 0 40 FJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)nc2ccccc21 4033565 FSLIGTNEOMYEGR-OAHLLOKOSA-N 367.880 4.929 0 40 FJAB CCOc1ccccc1-c1csc(NC(=O)c2cc3ccccc3[nH]2)n1 4393184 QSBMEHZXISOAOI-UHFFFAOYSA-N 363.442 4.942 0 40 FJAB CCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1 4678969 SAGZEUAEYGQNBR-UHFFFAOYSA-N 359.832 4.890 0 40 FJAB CCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1Br 4776747 WBPUYNLNCKOHCN-UHFFFAOYSA-N 371.234 4.648 0 40 FJAB Cc1cccc(-c2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1 5867236 JBKYBFZKLZYYGC-UHFFFAOYSA-N 368.502 4.923 0 40 FJAB COC(=O)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CCCO[C@@H]21 6950755 XHZWJEBSGBXCGA-LJHODMEESA-N 357.837 4.761 0 40 FJAB CSc1ncccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 7657181 QUUPIXATLZONFK-IBGZPJMESA-N 363.438 4.585 0 40 FJAB CCn1c(-c2ccccc2)c(C)s/c1=N\c1ccc(NC(C)=O)cc1 8654262 SPJCSCGFEBLDAY-XDOYNYLZSA-N 351.475 4.736 0 40 FJAB Cc1cc(C)cc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 12274583 BMIIXGOGNABIKR-UHFFFAOYSA-N 370.246 4.994 0 40 FJAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2nc3ccccc3[nH]2)c1 12544294 KAZZDNCTNLCSGL-UHFFFAOYSA-N 368.396 4.552 0 40 FJAB C[C@@H]1Oc2c(C(=O)Nc3ccc(N4CCCCC4)cc3)cccc2[C@@H]1C 12623746 YAPULLWRZLEIFG-CVEARBPZSA-N 350.462 4.814 0 40 FJAB CCOc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)ccc1OC 12806649 CJHXQQCITZMFTC-UHFFFAOYSA-N 359.425 4.917 0 40 FJAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc(C(C)(C)C)cc1 14094220 LLRYRQHWURHGFU-LBPRGKRZSA-N 355.463 4.726 0 40 FJAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccco3)N3CCCC3)oc2c1 15831672 BJHUQASACBUWIL-QGZVFWFLSA-N 366.461 4.518 0 40 FJAB COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(C)o1)[C@H]3c1cccnc1 19216635 OIXSQMCFGBJGGT-QHCPKHFHSA-N 373.456 4.621 0 40 FJAB CCC(=O)N1CCC(c2cc(Cc3ccccc3Cl)cc(C)n2)CC1 19691635 JPUOWNCYDVRGRB-UHFFFAOYSA-N 356.897 4.750 0 40 FJAB CCCc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 20033893 NLXJFUCVPNKCCC-UHFFFAOYSA-N 371.249 4.671 0 40 FJAB CCCOc1ccc(C(=O)CCC(=O)Nc2cnc3ccccc3c2)cc1 25531699 XBACCXGIPWCKFF-UHFFFAOYSA-N 362.429 4.625 0 40 FJAB CCc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)c2ccccn2)cc1 27664450 LMBCOGMDCOLPAX-UHFFFAOYSA-N 374.484 4.873 0 40 FJAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(F)ccc1F 30392001 WEOZBAFHOOIKAF-UHFFFAOYSA-N 357.331 4.935 0 40 FJAB O=C(/C=C\c1ccc(/C=C\C(=O)Nc2ccccc2)cc1)Nc1ccccc1 39738061 KHRMJDYXCLYDOY-IQRFGFHNSA-N 368.436 4.990 0 40 FJAB CC[C@@H](NC(=O)CSCc1cccs1)c1ccccc1OC(F)F 40089089 SFZFUZALYOXVKQ-CQSZACIVSA-N 371.474 4.850 0 40 FJAB CC(C)COc1ccc(NC(=O)CSCc2cccnc2)cc1Cl 41829172 YBKJKDDTGJVHDY-UHFFFAOYSA-N 364.898 4.642 0 40 FJAB CCCSc1ncc(CNC2(c3ccc(OC)cc3)CCCC2)cn1 57822961 RBVGYIXCCGMLEP-UHFFFAOYSA-N 357.523 4.546 0 40 FJAB Cc1cc(Br)ccc1NC(=O)[C@H](c1ccccc1)N1CCCC1 58379557 NROVVFPHWLRLOB-SFHVURJKSA-N 373.294 4.533 0 40 FJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccn(-c2cccc(Cl)c2)n1 59850841 SYXUCPBOPXUPJC-UHFFFAOYSA-N 365.742 4.797 0 40 FJAB CCO[C@@H]1CCCN(C(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 67557457 JGSMWZSIXUJXHJ-CQSZACIVSA-N 368.433 4.627 0 40 FJAB Fc1ccc([C@H](NCc2nc(-c3cccs3)no2)c2cccs2)cc1 89800300 WKCXRVXETRAMLM-KRWDZBQOSA-N 371.462 4.878 0 40 FJAB O=C(CCc1ccc(C(F)(F)F)cc1)N(Cc1ccsc1)C1CC1 96120295 VNDGCGUQMATAGK-UHFFFAOYSA-N 353.409 4.891 0 40 FJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 106690087 WXYBHFZUORAAOZ-PDGQHHTCSA-N 371.433 4.851 0 40 FJAB CCCCOc1cccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 216957309 VLPCZSRIBTWDLE-UHFFFAOYSA-N 351.402 4.515 0 40 FJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C 219532198 MURYAAHRVQOFFW-IBGZPJMESA-N 369.505 4.609 0 40 FJAB CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219651120 WGCJAYBHSLUNPI-INIZCTEOSA-N 359.491 4.697 0 40 FJAB CC[C@@H](Oc1ccccc1Cl)C(=O)n1cc(C(=O)OC)c2ccccc21 222620171 MWMYPEYVUFHFIM-QGZVFWFLSA-N 371.820 4.579 0 40 FJAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224080757 RNLCDORCSDESFB-SFHVURJKSA-N 369.505 4.563 0 40 FJAB CC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(OC)c(C)c1 224959265 FGZWNPRUKWLHBH-LJQANCHMSA-N 369.505 4.947 0 40 FJAB O=C(NCc1cncc(-c2cccs2)c1)c1ccccc1C(F)(F)F 225664362 NSSLEJSQXOPGSF-UHFFFAOYSA-N 362.376 4.759 0 40 FJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc2ccccc2s1 225756722 ZTMDXKKCZZSRTF-UHFFFAOYSA-N 350.468 4.955 0 40 FJAB CCCOC1(C(=O)Nc2ccc(OC)c3ncccc23)CCCCCC1 225910339 ZQBALLYRYLPISJ-UHFFFAOYSA-N 356.466 4.702 0 40 FJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccn(-c4ccccc4)c3)N21 260777638 QFAVEENCTTUDON-UIFIKXQLSA-N 374.513 4.852 0 40 FJAB COc1ccc(Nc2ccccc2C(=O)Nc2ccc(F)cc2F)cc1 612013388 UIXLQRIETBTMDX-UHFFFAOYSA-N 354.356 4.969 0 40 FJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523031 XTBIKCLIICBJTD-STQMWFEESA-N 365.264 4.590 0 40 FJAB O=C(Nc1cc(C(F)(F)F)c2cn[nH]c2c1)c1ccc(-n2cccc2)cc1 1638795470 ZXFIQQCBMARUMV-UHFFFAOYSA-N 370.334 4.625 0 40 FJAB