smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc2nc(SCC(=O)Nc3ccc(CC)cc3)sc2c1 716771 BEPFKWHPZWMYFM-UHFFFAOYSA-N 372.515 4.988 0 50 FJAA Cc1nc2c(Cl)cccc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 759540 MULZKSKWAMYURR-FZMZJTMJSA-N 361.066 4.850 0 50 FJAA COc1ccc2oc(=O)c(-c3csc(NC4CCCCC4)n3)cc2c1 846061 VBADNPIKSZSWQV-UHFFFAOYSA-N 356.447 4.670 0 50 FJAA Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 1126746 ATVKEFFFNYBFLJ-UHFFFAOYSA-N 373.865 4.738 0 50 FJAA C[C@H](O)[C@H](C)O[C@@H]1CCC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4C3=CC[C@H]12 1319136 QGCRIKQJTFPYSZ-KQZVDBHASA-N 360.538 4.673 0 50 FJAA Cn1c2ccccc2c2nnc(SCc3cccc(C(F)(F)F)c3)nc21 1446244 BFLIYQNEFPITSB-UHFFFAOYSA-N 374.391 4.828 0 50 FJAA O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1cccs1 2849346 GVAKFVJYVZLSBM-UHFFFAOYSA-N 365.389 4.857 0 50 FJAA CCOc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(OCC)c1OCC 4672607 FSGBDOJJOBZDRR-MRXNPFEDSA-N 365.514 4.827 0 50 FJAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)c1C 12472832 BGLOMNWLUSIFIN-OAHLLOKOSA-N 367.880 4.562 0 50 FJAA COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC 13329999 ZGDIBHWTVXBQHR-JTQLQIEISA-N 369.248 4.893 0 50 FJAA O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(CCC2CCCCC2)o1 187961708 LUPOCUMZFOHMSR-KRWDZBQOSA-N 371.506 4.628 0 50 FJAA CCn1c2ccccc2c2cc(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc21 239433629 YERVCDSICSEZGX-CLOONOSVSA-N 360.545 6.215 0 50 FJAA CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1 241590478 PFFCNQUEFAYNEX-AWEZNQCLSA-N 358.404 5.059 0 50 FJAA CCCCNC(=O)OC[C@]12CO[C@H](c3cccnc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 252695165 VUUHTGJJJVCBFX-ZEYOQAPRSA-N 372.509 4.514 0 50 FJAA biogenic C[C@H](C[C@H](O)c1cccs1)N[C@H](C)c1ccc(-c2ccncc2)cc1 763415961 SSOHJQTYAOZBLG-QINHECLXSA-N 352.503 4.973 0 50 FJAA O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1CN1CCCCC1 828075204 VPUDDBLIQVAILA-UHFFFAOYSA-N 361.489 4.725 0 50 FJAA O[C@H](c1cccs1)C1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 1529192337 TYKVONUIHRCDHI-KRWDZBQOSA-N 373.415 4.852 0 50 FJAA COc1cc2ccc(NC(=O)N3C[C@@H]4CCCCC[C@H]43)cc2cc1OC 1875267728 MAGHHBFPCKFDRJ-MAUKXSAKSA-N 354.450 4.653 0 50 FJAA O=C(c1cc(CC2CCC2)c[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822520 ACQKQXGQRDXKOO-UHFFFAOYSA-N 372.896 4.694 0 50 FJAA C[C@H](NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 675584 ZCEAFLGQCHQXDZ-INIZCTEOSA-N 360.482 4.719 0 50 FJAA COc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1 997236 SIYWATSGRFIUAN-UHFFFAOYSA-N 351.189 4.631 0 50 FJAA COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)cc1 1071941 CHXPIVKKMHZUGB-DEOSSOPVSA-N 359.469 4.760 0 50 FJAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 1174086 HQHPUBICWSRHAG-AWEZNQCLSA-N 370.518 4.559 0 50 FJAA CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 1838586 HFYCJQYBWHSVGR-UHFFFAOYSA-N 373.412 4.931 0 50 FJAA CC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 2865358 XEDMFSGWJXFPLL-IRXDYDNUSA-N 350.462 4.500 0 50 FJAA CC[C@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1 4522906 XJURLICCSYKNIU-INIZCTEOSA-N 371.893 4.915 0 50 FJAA CN(CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)Cc1ccccc1 4667898 WJKGRJHFJWPCIU-UHFFFAOYSA-N 372.512 4.534 0 50 FJAA COc1c(Br)cc(Cl)cc1/C=C1\Oc2ccccc2[C@H]1O 4832693 GECIMHJOEPJRNP-XIEDVDOYSA-N 367.626 4.578 0 50 FJAA Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)c3ccccc3n2)o1 5048822 BGRFGZDLEHLUBT-UHFFFAOYSA-N 360.388 4.872 0 50 FJAA CC(C)CC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 11816809 CDGMVZVTSJUCRC-LJQANCHMSA-N 365.473 4.946 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3ccc(F)cc3Cl)c2C)cc1 12075019 FVFSFMWIYPLFKU-CYBMUJFWSA-N 373.859 4.833 0 50 FJAA C[C@H]1CCCCN1Cc1nc(NCc2cccs2)c2ccccc2n1 12135167 RUEXPPPCZVZYHO-HNNXBMFYSA-N 352.507 4.678 0 50 FJAA Clc1ccccc1-c1cncnc1[C@H]1CCCN(Cc2ccoc2)C1 20913011 BCCSZBMRQQEKDL-INIZCTEOSA-N 353.853 4.770 0 50 FJAA O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1cccc(F)c1 21791416 UGITVLXGXMPOJB-SFHVURJKSA-N 354.356 4.597 0 50 FJAA CCc1cc([C@H]2CCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)on1 33269932 WKQIWEQXCGTUHM-MRXNPFEDSA-N 371.824 4.523 0 50 FJAA COc1ccccc1Oc1ncccc1CNCc1c(F)cccc1Cl 55360217 IGQOGCUIZZWANW-UHFFFAOYSA-N 372.827 4.965 0 50 FJAA O=C(Nc1ncc(C(F)(F)F)s1)NC1(c2cccc(Cl)c2)CC1 225610107 HDOFOCNSFFQOAL-UHFFFAOYSA-N 361.776 4.626 0 50 FJAA O=C(c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1)N1CCCCC1 1244459741 AMEJNZFREAQDGE-UHFFFAOYSA-N 365.351 4.584 0 50 FJAA CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 804713 XKLKHTJAYJUSPC-UHFFFAOYSA-N 356.451 4.657 0 50 FJAA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1Cl 1081645 FFUWHWBFRGJHNT-UHFFFAOYSA-N 364.832 4.522 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1C 1208543 AOXJIZJWVHBQBY-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1Cl 2836924 RUQJSILBRDGFSK-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)C[C@H](c1cccs1)C2 4488749 XTRDJZYNWYBXLO-CQSZACIVSA-N 365.454 4.833 0 50 FJAA O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)c(C(=O)O)c1 4807514 HVSHAPWLKSGSDW-UHFFFAOYSA-N 371.845 4.922 0 50 FJAA CSc1ccc(/C=C/c2noc(-c3ccccc3OC(C)=O)n2)cc1 6697573 IBZLBNSGNIXZMB-FMIVXFBMSA-N 352.415 4.554 0 50 FJAA Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2ccccc2F)n1 13330437 NNVDSYZMAVKLMU-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA Cc1ccc(C(C)(C)C[C@H](C)NC2CCN(Cc3ccccc3)CC2)o1 22077582 PYEFDJYYEKYHKC-SFHVURJKSA-N 354.538 4.898 0 50 FJAA C[C@H](c1nccs1)n1ccnc1-c1cnc(-c2ccc(Cl)cc2)nc1 67803968 BZMWHSVQXPNBHL-GFCCVEGCSA-N 367.865 4.726 0 50 FJAA CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1 169754636 WFVNPIOLCHUCHD-IBGZPJMESA-N 361.445 4.837 0 50 FJAA CC1(C)[C@@H](C(F)(F)F)CCN1c1nc(-c2ccncc2)nc2ccccc12 170606559 ABBHSJHNNXOBKU-INIZCTEOSA-N 372.394 4.859 0 50 FJAA O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(Sc2ccccc2)cc1 170612745 DKMQTOFGRVORNN-OAQYLSRUSA-N 363.482 4.623 0 50 FJAA Oc1ccc(-c2noc([C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1 436898378 AISIGSDPKDCEPU-KGLIPLIRSA-N 362.307 4.612 0 50 FJAA CO[C@@H](c1ccccc1F)[C@H](C)Nc1nc2cc(C)nn2c2ccccc12 1458275063 HDIVWEALCYGIPV-VBKZILBWSA-N 364.424 4.518 0 50 FJAA O[C@@H](c1cccs1)C1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 1529192338 TYKVONUIHRCDHI-QGZVFWFLSA-N 373.415 4.852 0 50 FJAA C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1nc(-c2cccc(Cl)c2)cs1 1875319569 IFCSXFIRKTWELP-DABQJJPHSA-N 364.898 4.537 0 50 FJAA COc1cc(Br)c(CNc2cc(C)cc(C)c2)cc1OC 856875 SGAWEEGVRBBMMF-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA C[C@H](Oc1cccc(NC(=O)c2cccs2)c1)C(=O)c1ccccc1 993038 ZYYCYVSJFKHGKM-AWEZNQCLSA-N 351.427 4.651 0 50 FJAA CC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(Br)c3)cc12 999196 IRGHBYQSQRLPLQ-UHFFFAOYSA-N 373.202 4.926 0 50 FJAA CC(C)Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 1135282 PHWQIRRXWZFPHB-UHFFFAOYSA-N 353.447 4.781 0 50 FJAA Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 1148310 OVCXJCYTIRECKJ-LBPRGKRZSA-N 350.281 4.877 0 50 FJAA c1ccc(-c2cn3c4ccccc4nc3n2CCNC2CCCCC2)cc1 4786126 QHHWVCVQPTYAHV-UHFFFAOYSA-N 358.489 4.878 0 50 FJAA COc1cc2c(cc1OC)CN(Cc1ccc(Cl)c(Cl)c1)CC2 4990225 GQRBYUAHXYXBTA-UHFFFAOYSA-N 352.261 4.569 0 50 FJAA CN(Cc1cccnc1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 11937264 OLGDBTRXGHCAPR-OAQYLSRUSA-N 364.876 4.916 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)cc1 12750163 ZHGGBXJGMYXVJE-HNNXBMFYSA-N 372.465 4.674 0 50 FJAA Cc1cccc(-c2nc(CNC(=O)c3c(C)cc(C)cc3C)cs2)c1 17072777 ZMQJJDOCOJDXHA-UHFFFAOYSA-N 350.487 4.974 0 50 FJAA Cc1ccc(C(C)C)c(OCCCN2CCN(Cc3ccccc3)CC2)c1 20118191 QNUNVQVNDQHGCE-UHFFFAOYSA-N 366.549 4.705 0 50 FJAA CC(=O)Nc1ccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1 40216605 AZEIAIFUSXOLEX-UHFFFAOYSA-N 371.444 4.715 0 50 FJAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(-n2cccn2)cc1 125172947 MGUPHMDECXRWNZ-UHFFFAOYSA-N 370.250 4.504 0 50 FJAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4Cl)cc3)C(=O)[C@H]21 239038654 DQBMCXZHIPBGIK-AZOIQLNYSA-N 367.832 4.834 0 50 FJAA Cc1sc2nc(=S)n(-c3ccccc3)c(O)c2c1-c1ccccc1 240067971 SFRXSJZRYFKZJH-UHFFFAOYSA-N 350.468 5.498 0 50 FJAA CCCc1cccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 276805281 GSKDCKWXKKKHOT-HXUWFJFHSA-N 369.509 4.643 0 50 FJAA Cc1cccc2c1OC[C@H](NC(=O)NC(C)(C)c1ccc3ccccc3c1)C2 1478760169 APHZSPZIEUMMIM-OAQYLSRUSA-N 374.484 4.686 0 50 FJAA CN(C(=O)N1CCCC[C@H]1c1ccccc1Br)C1CCC1 2325828353 FEMKIQMGRJMCJC-INIZCTEOSA-N 351.288 4.580 0 50 FJAA Cc1ccc(NC(=O)c2ccccc2F)c(NC(=O)c2ccccc2F)c1 655917 BBLFMLXOUQUXTP-UHFFFAOYSA-N 366.367 4.778 0 50 FJAA COc1ccc(C2(CNC(=O)c3cccc(Cl)c3)CCCC2)cc1OC 857353 XXSOTKCNNVDDKZ-UHFFFAOYSA-N 373.880 4.599 0 50 FJAA Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1073263 LOYTZLUBVQCWRX-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc(C)c2O)c2ccccc2)cc1 1165179 WCDGZDCNSFTETR-QFIPXVFZSA-N 360.409 4.790 0 50 FJAA COc1ccc(OC)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 2081259 HBSUCLWSGDFZCU-UHFFFAOYSA-N 361.441 4.865 0 50 FJAA C[C@@H]1CC(C)(C)C[C@@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1 4092767 QQLVXYUIIGTHTC-KZULUSFZSA-N 371.399 4.951 0 50 FJAA COc1c(Br)cc(Cl)cc1/C=C1\Oc2ccccc2[C@@H]1O 4832694 GECIMHJOEPJRNP-GSHXUFRSSA-N 367.626 4.578 0 50 FJAA Cc1oc(-c2ccco2)nc1CN1CCCC[C@H]1CCc1ccccn1 12299593 VCGFOEXCZWOBJY-SFHVURJKSA-N 351.450 4.625 0 50 FJAA C(=C/c1ccco1)\CN1CC[C@H](c2ccnc(-c3ccc4c(c3)OCO4)c2)C1 65382059 QQWYCLGKHVBKAS-UJXFUWLCSA-N 374.440 4.573 0 50 FJAA Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Oc4ccccc4)cc3)C2=O)c1 97922826 VDPUQGBOKFGFNQ-OAQYLSRUSA-N 372.424 4.531 0 50 FJAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCC2)CC1 176032020 LHGFFRHHHLRREE-MRXNPFEDSA-N 369.509 4.542 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 825720099 YDVSWSLNLGOFMO-VQTJNVASSA-N 366.471 4.934 0 50 FJAA CCn1nc(C)c(CNCC[C@H](c2ccc(F)cc2)c2ccco2)c1C 952989695 RRHDNNMXLYCMHI-LJQANCHMSA-N 355.457 4.564 0 50 FJAA COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C[C@H]1CC[C@H](O)CC1 1875344088 DFELWQBGSXYLLS-KJXAQDMKSA-N 367.533 4.680 0 50 FJAA Cn1c(C(=O)O[C@H](Cc2ccccc2)c2cccnc2)cc2ccccc21 2325827055 UIEYKUCSVISVRL-JOCHJYFZSA-N 356.425 4.714 0 50 FJAA CCN(CC)C(=O)Nc1cccc2c(NC(=O)N(CC)CC)cccc12 640973 IRTRNUXQPMXMDV-UHFFFAOYSA-N 356.470 4.587 0 50 FJAA O=c1c2c(-c3ccccc3)csc2ncn1Cc1c(F)cccc1Cl 955624 KVKLWQPSRWXFCL-UHFFFAOYSA-N 370.836 4.966 0 50 FJAA Cc1c(Br)ccc(NC(=O)Cc2ccc(Cl)cc2)c1C 1136103 SGNDKJUMFZAEKB-UHFFFAOYSA-N 352.659 4.901 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(Br)c1 2748691 GJOCBPZPAWWDLL-NSHDSACASA-N 368.658 4.817 0 50 FJAA Cc1nn2c(C(F)F)cc(-c3ccc(F)cc3)nc2c1Br 2786460 UGJVJIWKVMOIJG-UHFFFAOYSA-N 356.145 4.544 0 50 FJAA Cc1ccccc1NC(=O)CCCC(=O)OCC(Cl)=C(Cl)Cl 2847289 CYULGPMZYQNDQO-UHFFFAOYSA-N 364.656 4.533 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1-c1ccccc1 3267634 OBUDTHMUXXGYLT-UHFFFAOYSA-N 366.442 4.548 0 50 FJAA Cc1ccn2c(NC(=O)/C=C/c3ccccc3)c(-c3ccccc3)nc2c1 4095167 QGZBIVWUYLFPRD-OUKQBFOZSA-N 353.425 4.962 0 50 FJAA COc1cccc2c1O[C@H](c1ccccc1)N1N=C(c3ccccc3)C[C@H]21 4281944 BTTJNNGGFUWDFS-NFBKMPQASA-N 356.425 4.938 0 50 FJAA Cc1scc(C(=O)Nc2nnc(C(F)(F)F)s2)c1-c1ccccc1 4749753 FHHRQPQODFCVGD-UHFFFAOYSA-N 369.393 4.846 0 50 FJAA O=C(Nc1ccncc1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 6829966 UZTVQPIXJHTJHJ-UHFFFAOYSA-N 360.804 4.598 0 50 FJAA COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccnc1 12318068 BZMHXLYOSFWUFR-XMMPIXPASA-N 369.468 4.719 0 50 FJAA COCC1(COC)[C@@H](c2ccccc2)CC(OC)C[C@@H]1c1ccccc1 20601808 NUHARMJHXGEBKE-FGZHOGPDSA-N 354.490 4.642 0 50 FJAA CC(C)CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C(F)(F)F)c2)C1 20856726 NUVDKAIHOWIXET-OAHLLOKOSA-N 351.416 4.931 0 50 FJAA COc1ccccc1CN(Cc1cccnc1)Cc1csc(C(C)=O)c1 55243550 MORURANYADCESD-UHFFFAOYSA-N 366.486 4.557 0 50 FJAA CCCc1c(-c2ccccc2)ncn1Cc1ccc(C(=O)N2CCCC2)cc1 65408652 LIXBEEFRXWWSFR-UHFFFAOYSA-N 373.500 4.787 0 50 FJAA CCCc1ccc(-c2ccc(C(=O)N3Cc4cnc(CC)nc4C3)cc2)cc1 67673109 RQZYCHOZMTVTLK-UHFFFAOYSA-N 371.484 4.815 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)c(C)c2c1 91486766 SMMLZWFQCNRTOA-ZDUSSCGKSA-N 355.507 5.000 0 50 FJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 101904224 YADDAZHFALFGLP-LVNJIZSUSA-N 361.441 4.631 0 50 FJAA O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cc(F)ccc2F)C1 191215355 DVUUPHQLIQDIQJ-MRXNPFEDSA-N 352.384 4.533 0 50 FJAA Cc1cccc(-c2cccc(C(=O)N3CCC(c4cccc(O)c4)CC3)c2)n1 299797572 OKXMKZOOSBHHKO-UHFFFAOYSA-N 372.468 4.782 0 50 FJAA Cc1ccc(C)c(-n2ncc(N[C@H](C)c3nc(C(C)(C)C)no3)c2C)c1 435986072 VCROYMYKAAQLMA-CQSZACIVSA-N 353.470 4.651 0 50 FJAA CCNc1nc(C)c(C(=O)N(C)[C@H](C)c2cccc3ccccc23)s1 952981579 NYEFXDLJOWEXPF-CQSZACIVSA-N 353.491 4.870 0 50 FJAA O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(-c2ccccc2)[nH]1 1465837445 JSTOOSDIKGMGJD-UHFFFAOYSA-N 364.355 4.602 0 50 FJAA Cc1cccc(Oc2coc3cc(OC(=O)c4ccncc4)ccc3c2=O)c1 921113 OKBVBDMZJLEBGM-UHFFFAOYSA-N 373.364 4.508 0 50 FJAA COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 995189 JXJTTZZHDZRNMK-UHFFFAOYSA-N 374.849 4.733 0 50 FJAA Cc1cc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)sc1C 2731480 NZAOXGABNDUFEZ-UHFFFAOYSA-N 354.403 4.828 0 50 FJAA CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]3CCC4(OCCO4)[C@@]3(C)CC[C@H]12 3054777 WAFJRNODYIQPFV-BWEVDEMYSA-N 358.522 4.898 0 50 FJAA CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2CCC2)cc1 11700912 GXPXOOCOUHRFOC-QHCPKHFHSA-N 374.484 4.841 0 50 FJAA Cc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)s1 20541986 AYRNVQRPDFVNFS-MRXNPFEDSA-N 355.482 4.965 0 50 FJAA Cc1cccc(Cn2nc(C)cc2NC(=O)c2c(F)cccc2Cl)c1 65490770 RGCSYZFXQFTHCT-UHFFFAOYSA-N 357.816 4.593 0 50 FJAA Cc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)s2)o1 122111043 FNFHXFBMMWBPJC-UHFFFAOYSA-N 370.405 4.593 0 50 FJAA Cc1nc(/C=C/C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cs1 170640704 ZNMXATBTWBUAJV-VOTSOKGWSA-N 366.408 4.679 0 50 FJAA Cc1c(C(=O)N(CC2CCC2)CC(F)(F)F)oc2c1C(=O)CC(C)(C)C2 170654470 YNWKKUADAOUICQ-UHFFFAOYSA-N 371.399 4.548 0 50 FJAA CC(C)CC(=O)Nc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1F 172808047 NEDNUVUOOOKOAY-UHFFFAOYSA-N 372.415 4.542 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 245297626 VHTCQRPKUANPBY-PEHNBRFBSA-N 355.478 4.971 0 50 FJAA CCC(=O)c1cccc(-c2cccc(C(=O)N(C)C[C@@H]3CCCCO3)c2)c1 426470598 KKVIXOJRTCWZFY-NRFANRHFSA-N 365.473 4.587 0 50 FJAA Cc1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1C 812265 RUHNLLUENJSKNQ-UHFFFAOYSA-N 361.441 4.674 0 50 FJAA COc1ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc2c1 1138548 LYHSKININNTATA-UHFFFAOYSA-N 354.255 4.752 0 50 FJAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 1218607 OMKGDDMUTKPTRS-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA CCCCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 2500299 GUWUPXMKJYXBRJ-UHFFFAOYSA-N 354.475 4.768 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1ccc(Cl)c(C)c1C 2985722 WVJUVQNTRFVMMR-UHFFFAOYSA-N 364.869 4.748 0 50 FJAA COc1cc(CNCc2ccncc2)ccc1OCc1ccccc1Cl 4413561 PYJDENDJJYEZIK-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccccc2)cc1 4854060 KNUFSHCWERZOMD-XUZZJYLKSA-N 368.436 4.748 0 50 FJAA aggregator O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCCCCC1 6829254 JDRAHCGFDHIBMR-UHFFFAOYSA-N 365.864 4.966 0 50 FJAA CC[C@H](Sc1cc(C)c2cccc(OC)c2n1)C(=O)Nc1nccs1 11907486 BOMFMBIORYUFEH-AWEZNQCLSA-N 373.503 4.518 0 50 FJAA CC(C)C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 12381838 FSSHOJVIRYAHTC-UHFFFAOYSA-N 361.873 4.707 0 50 FJAA CC(C)c1ccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 15072877 BWWFYRIIZGVWPN-UHFFFAOYSA-N 374.484 4.972 0 50 FJAA Cc1nc(C)c(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)s1 16552244 BUXIRALFVMILEL-UHFFFAOYSA-N 360.442 4.622 0 50 FJAA COCc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)o1 19226258 KKTPVTCSSNYJKO-SFHVURJKSA-N 365.477 4.504 0 50 FJAA C[C@@H](O)CCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21 95726696 USLCLHHNJHEBGL-MRXNPFEDSA-N 374.440 4.570 0 50 FJAA in-vitro CCCN(C/C=C/c1ccccc1)C(=O)c1ccc(CN2CCCC2)cc1 97532724 PYOSJUYUHREZMN-DHZHZOJOSA-N 362.517 4.848 0 50 FJAA FC(F)(F)c1cnc(-c2nc(Cl)cc(C(F)(F)F)n2)c(Cl)c1 169621095 GXCAQDFGXXAFHE-UHFFFAOYSA-N 362.060 4.883 0 50 FJAA c1ccc(-c2ccc(CN3CCc4[nH]cnc4[C@@H]3c3ccccn3)s2)cc1 222901869 FJKVHPOYNWASDC-QFIPXVFZSA-N 372.497 4.681 0 50 FJAA Clc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1Cl 239275113 BEZVXVHCCOVMBX-WOJBJXKFSA-N 367.364 5.222 0 50 FJAA CC(C)C[C@H](N)c1noc(-c2ccc(Oc3ccncc3)c(Cl)c2)n1 414627119 YYGHVSRPOMYBMT-HNNXBMFYSA-N 358.829 4.623 0 50 FJAA CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCC34CCOCC4)sc2C1 1875357820 YCCPHUXKEVWOPC-CABCVRRESA-N 362.539 4.584 0 50 FJAA C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cc(F)ccc1F 2325728442 RERXXPSODKGUPH-CQSZACIVSA-N 365.379 4.687 0 50 FJAA Cc1cc(Cl)ccc1C(=O)NCCc1nc(-c2ccccc2)oc1C 2325742220 TYVBPZPCFDIXFS-UHFFFAOYSA-N 354.837 4.584 0 50 FJAA COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3nccs3)c2c1 635394 KPBBXASPLWZNJY-UHFFFAOYSA-N 350.399 4.817 0 50 FJAA Cc1cccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)c1 696075 UWODQXDXXBXZAB-UHFFFAOYSA-N 353.425 4.535 0 50 FJAA O=C(Nc1nnc(-c2ccco2)s1)Nc1ccc(Cl)cc1Cl 784398 UROZBRNHLXWALD-UHFFFAOYSA-N 355.206 4.749 0 50 FJAA O=C(Nc1ccccc1Br)Nc1ccccc1Br 1038935 KGIPPUCGBSFACI-UHFFFAOYSA-N 370.044 4.856 0 50 FJAA CCOc1cc(C)c(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1C(C)C 1163158 IPBZGQSPPHXRLL-CPNJWEJPSA-N 364.445 4.614 0 50 FJAA Cc1ccc2oc(-c3cc(NC(=O)c4cccs4)ccc3O)nc2c1 1207897 CSZDELGVQDRVBU-UHFFFAOYSA-N 350.399 4.823 0 50 FJAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1Cl 4868347 UYNZULFPTIURHM-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccncc2)C1 12197985 UOERYGBEQSEUMT-QHCPKHFHSA-N 356.469 4.844 0 50 FJAA O=C1CC[C@@H](N2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccccc1Cl 12218122 JSYSWNKHUVBVIV-CMKODMSKSA-N 374.956 4.733 0 50 FJAA C/C=C(\C)CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 12320490 AMDLWSWKFAGPFB-PKJWAPKXSA-N 365.477 4.633 0 50 FJAA CCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)c2cccnc12 32622577 XBZHMZMXVYHWTK-UHFFFAOYSA-N 365.414 4.602 0 50 FJAA COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccc(Cl)cc3)c2c1 49581086 GUHNPPMPTCIHFB-ZHACJKMWSA-N 355.821 4.858 0 50 FJAA Cc1ccc(Cn2cnc(-c3ccccc3)c2-c2nccn2C)c(F)c1F 65386914 DSOFYXJBBFAHNZ-UHFFFAOYSA-N 364.399 4.586 0 50 FJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2ccon2)cc1 72476456 XBQFLUJPYHBOKY-UHFFFAOYSA-N 373.456 4.839 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)Cc3cccc4ncccc34)oc2c1 77299735 TYNUXSKCXBFJTI-UHFFFAOYSA-N 360.413 4.570 0 50 FJAA Cc1noc(C)c1C[C@@H](C)NCCCCc1cccc(C(F)(F)F)c1 170601676 GEVBACFDJOHSGY-CYBMUJFWSA-N 354.416 4.854 0 50 FJAA Cc1cc(C(=O)Nc2nccn2Cc2ccccc2Cl)c(C)n1C(C)C 170627249 HQCITWUMABJZAQ-UHFFFAOYSA-N 370.884 4.836 0 50 FJAA Cc1sc(C(=O)Nc2ccccc2CC(=O)O)cc1-c1ccc(F)cc1 237703038 SIRIEOYSJJRRKZ-UHFFFAOYSA-N 369.417 4.742 0 50 FJAA CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cncn1C1CCCCC1 244873624 WTCCFFWJGKVLQO-UHFFFAOYSA-N 357.889 4.550 0 50 FJAA Cc1ccc(CNC(=O)C[C@@]2(c3ccccc3C)CCOC(C)(C)C2)s1 299778873 RGMVSCLINMLYBF-QFIPXVFZSA-N 371.546 4.898 0 50 FJAA CC[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CCO1 1463194040 MBAFNKAKKDMJSM-MXKPZRPRSA-N 365.473 4.573 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(Cl)c1 2325817099 GABRSXOGWRGUQG-UHFFFAOYSA-N 373.861 4.816 0 50 FJAA Cc1ccccc1C[C@H](NC[C@H](CO)Cc1ccccc1C)c1ccco1 2325841922 JZCSUMFWIRHRNG-OFNKIYASSA-N 363.501 4.621 0 50 FJAA C[C@@H](CO)N(Cc1cc2cc(Cl)ccc2[nH]1)C[C@H](C)c1ccccc1 2325855725 MOUZXHBGRWGJJU-HOTGVXAUSA-N 356.897 4.808 0 50 FJAA Cc1cccc2sc(NC(=O)CSc3nc4ccccc4s3)nc12 1115038 UEUZTTSVZBQLKI-UHFFFAOYSA-N 371.512 4.945 0 50 FJAA O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)-c1ccccc1CC3 2298506 UIYWUEMGPNIYTH-UHFFFAOYSA-N 362.479 4.875 0 50 FJAA Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)o2)c(C)c1Cl 2762329 GHDFLMICBXHSRM-UHFFFAOYSA-N 364.232 4.700 0 50 FJAA O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1CCc2ccccc21 2763857 MWTZOLBPQKHDLT-UHFFFAOYSA-N 353.805 4.715 0 50 FJAA Cc1ccc(Cl)cc1-n1nnnc1C1(Nc2ccccc2)CCCCC1 3880036 XKNCJDVPKPDXHQ-UHFFFAOYSA-N 367.884 4.896 0 50 FJAA Cc1ccc(NC(=O)CCc2ccccc2Br)c(Cl)c1 4542944 FHPPKNHIDKLBSW-UHFFFAOYSA-N 352.659 4.982 0 50 FJAA CCCCOC(=O)Nc1nnc(CSCc2ccc(Cl)cc2)s1 5013327 PEAOLIBVFOAWGC-UHFFFAOYSA-N 371.915 4.974 0 50 FJAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 13540278 IEPGNWMPIFDNSD-HZJYTTRNSA-N 354.531 4.696 0 50 FJAA endogenous,in-man Cc1nn(C)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 13957049 HSFLGVCPGCXDBL-UHFFFAOYSA-N 370.172 4.725 0 50 FJAA BrC1(Br)[C@@]23CC=CC[C@]12Cc1ccccc1C3 101037990 VRXMJVLAEYAFRM-ZIAGYGMSSA-N 354.085 4.608 0 50 FJAA Cc1ccccc1-c1noc([C@H](C)N2C[C@H](C)O[C@H](c3ccsc3)C2)n1 120525623 RWXDUVVULURVFQ-MPGHIAIKSA-N 369.490 4.630 0 50 FJAA CCN(CCN1CCCCCC1)C(=O)Nc1ccc(Cl)c2ncccc12 299799385 RXKLROAZAFYEBC-UHFFFAOYSA-N 374.916 4.618 0 50 FJAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1 426431451 WQZVWIZSEZQPPF-HXUWFJFHSA-N 355.865 4.566 0 50 FJAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cccc(-c3cncc(N)c3)c2)C1 426690708 PTMQEGFQNQJXAR-HXUWFJFHSA-N 371.484 4.659 0 50 FJAA O=C(/C=C/c1ccc(Br)cc1)NCc1ccc2ccoc2c1 2325735856 RRIXKPLBAPFCCC-XBXARRHUSA-N 356.219 4.525 0 50 FJAA CCn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1 653751 HXAHKYQUDIHABE-UHFFFAOYSA-N 360.870 4.549 0 50 FJAA c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 948409 DLYGJSBTRYQBHJ-UHFFFAOYSA-N 361.426 4.873 0 50 FJAA O=C(Cc1c(F)cccc1Cl)NC(c1ccccc1)c1ccccc1 1049057 YIGOIHHSUQWNMC-UHFFFAOYSA-N 353.824 4.927 0 50 FJAA CCOc1ccc(NC(=O)c2c(N)sc(-c3ccccc3)c2C)cc1 1064655 LNHIWQURRDWXGX-UHFFFAOYSA-N 352.459 4.957 0 50 FJAA COc1ccc(-c2noc(-c3cc(Br)ccc3Cl)n2)cc1 1116866 WHVURXYRKRFJHC-UHFFFAOYSA-N 365.614 4.828 0 50 FJAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 2887796 MZEQKADSDMAXBF-KRWDZBQOSA-N 374.440 4.653 0 50 FJAA Oc1cc(O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2n1 5491491 FNBUNMGBYSZVCD-UHFFFAOYSA-N 362.332 4.942 0 50 FJAA Cc1cc(OCCCCn2cnc3ccccc3c2=O)ccc1C(C)C 6477395 PTHHGNNHRZSUGP-UHFFFAOYSA-N 350.462 4.688 0 50 FJAA O=C(Nc1cc(F)ccc1F)c1cccnc1-c1nc2ccccc2s1 6719701 XYLFCCPOFGYADC-UHFFFAOYSA-N 367.380 4.889 0 50 FJAA Cc1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 12305238 OYONVECLHQWXFP-FQEVSTJZSA-N 360.505 4.687 0 50 FJAA Nc1cc(Cl)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl 20218582 JISBMFNWDKLIAT-UHFFFAOYSA-N 365.186 4.513 0 50 FJAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 100978477 JNSHLLYGGNDDOC-BIPCEHGGSA-N 367.832 4.668 0 50 FJAA CCn1c(SCc2ccc(Cl)nc2Cl)nnc1-c1ccccc1 170617547 KDSJNYCKRAHOIN-UHFFFAOYSA-N 365.289 4.959 0 50 FJAA Cc1nc(C)c2c(C)c(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)sc2n1 229728208 SXYQOAMLKKKJLW-ARGWCVDVSA-N 357.523 4.561 0 50 FJAA C[C@H](N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 248239684 GNGMYUPULPXERU-XTMYYITASA-N 366.480 4.920 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)on1 333500196 NXBLKZPOYGLLFV-YXWQFLTLSA-N 372.494 4.712 0 50 FJAA C[C@H](CCCC(C)(C)O)n1ccnc1-c1cc2ccc(Cl)cc2nc1O 1857681482 KYOGRUCYHKRKLP-CYBMUJFWSA-N 373.884 4.960 0 50 FJAA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 625849 RHOXGFTVHPCNGH-UHFFFAOYSA-N 371.465 4.909 0 50 FJAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C)C2 837687 FWWBUQYMSQEFPG-JTQLQIEISA-N 362.882 4.737 0 50 FJAA O=C(CCC1CCCCC1)Nc1ccc(I)cc1 1085184 YDNRKWKMLSURJH-UHFFFAOYSA-N 357.235 4.590 0 50 FJAA C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 1114912 CDXSUGXUADKHOA-JTQLQIEISA-N 374.264 4.663 0 50 FJAA CCc1cc(Br)ccc1NC(=O)Cc1ccc(Cl)cc1 1135858 JEMVOFHGFWUHDL-UHFFFAOYSA-N 352.659 4.846 0 50 FJAA O=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1 1167354 ZRUYAOVAOCBANI-UHFFFAOYSA-N 355.187 4.634 0 50 FJAA Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1C 1169276 NJISJSFPDLHCTB-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA N=C1S/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1nccs1 4451586 ZRZRTQOQRKJDNE-OGJKRULYSA-N 371.418 4.598 0 50 FJAA O=c1c2ccccc2nc(/C=C\c2ccccc2Cl)n1-c1ccccc1O 4725295 UYTXUVRJZNSTPB-YPKPFQOOSA-N 374.827 4.915 0 50 FJAA C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4912142 ZJXJEOGJZZPLGA-XGACYXMMSA-N 357.837 4.622 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 5052309 LLCKILDDPDKVFO-STZFKDTASA-N 373.383 4.749 0 50 FJAA CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 5094314 CNFLISYAXSQBCQ-UHFFFAOYSA-N 354.793 4.811 0 50 FJAA Cc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)c(C)c1 6844319 PELLLQYTHGDVIE-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA Cc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 9332092 AVZDHIFGLFXDGA-UHFFFAOYSA-N 374.263 4.528 0 50 FJAA O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(Cl)cc2)CC1 13326938 USFIKRYBMGRXCS-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(CC)c3n2)cc1 20605479 BBQLJJKHMHHCRJ-UHFFFAOYSA-N 361.417 4.641 0 50 FJAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2c(s1)CCCC2 20606439 CPXVGMWLOURZNO-UHFFFAOYSA-N 363.504 4.680 0 50 FJAA Cc1nc([C@@H](C)Sc2ncnc3[nH]cnc23)oc1-c1ccc(Cl)cc1 130128611 NAWUXBJGNALGSU-SNVBAGLBSA-N 371.853 4.823 0 50 FJAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1nc2c(s1)CCC2 170622099 FYPORRYHHSZMKM-MRXNPFEDSA-N 371.893 4.705 0 50 FJAA COc1ccc2[nH]c(CNC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2c1 670474112 CKVKHBCJFTWFPL-UHFFFAOYSA-N 368.864 4.568 0 50 FJAA COCCN(Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[C@@H]1C 1875355877 DDZQQSNPVUWCGX-MGPUTAFESA-N 373.928 4.742 0 50 FJAA CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1OC 949023 KOEVCEVXRGBJIM-UHFFFAOYSA-N 366.417 4.562 0 50 FJAA O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2cc3c(cc2N1)OCCO3 1461068 MNXZWKYOQVQKGL-SFHVURJKSA-N 357.409 4.599 0 50 FJAA CCCOc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1OCC 2865938 LGDIFNOXXGFPJX-UHFFFAOYSA-N 351.805 4.919 0 50 FJAA COc1cc(C(=O)Nc2ccccc2-c2ccccc2)cc(OC)c1OC 3603775 YZDUUPBVZOIUSE-UHFFFAOYSA-N 363.413 4.632 0 50 FJAA CCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 4644534 LMOFLVHZCANYES-AQTBWJFISA-N 355.821 4.863 0 50 FJAA Cc1ccc(SCC(=O)NCCSc2ccc(Cl)cc2)cc1 4689802 SDUXTYSBZIAOAD-UHFFFAOYSA-N 351.924 4.649 0 50 FJAA COc1ccccc1OCCCOc1ccc(C)cc1Br 4701935 FUEFOGQXLVLGGW-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA Cc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc2C)cc1C 5601779 QKSJPOPQAUFSEZ-JKSUJKDBSA-N 372.490 4.565 0 50 FJAA COc1cc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)ccc1F 12713109 OANZUHTTWBZRMD-KRWDZBQOSA-N 373.493 4.651 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@H]2c2ccccn2)c2ccc(C)c(C)c2n1 77485671 NLBWRKJMVKKPEG-NRFANRHFSA-N 359.473 4.922 0 50 FJAA Cc1cc([C@@H]2CCCCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)no1 91645599 MBPNLQBBTGVPHO-KRWDZBQOSA-N 351.450 4.757 0 50 FJAA C[C@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1cc2ccccc2s1 171547255 DUPPSMPXXNFVOS-AWEZNQCLSA-N 359.539 4.524 0 50 FJAA O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cccn1C1CC1 187313355 OTYDDBNZUNPKOI-INIZCTEOSA-N 374.868 4.677 0 50 FJAA COc1cc(Cl)c(CN(C)[C@H](C)c2nc(C)sc2C)cc1OC 215810589 QSYZCFWACWVKEG-SNVBAGLBSA-N 354.903 4.624 0 50 FJAA Cn1cc(NC(=O)N[C@@H]2CCCc3sccc32)c(C2CCCCC2)n1 333637863 IHTFRPYHZURTQA-OAHLLOKOSA-N 358.511 4.728 0 50 FJAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1 426509289 DURFQXVAUFFDLY-SFHVURJKSA-N 373.880 4.744 0 50 FJAA CCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12 1875323127 YFYGJYIUBMDXQF-UHFFFAOYSA-N 359.422 4.569 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1cc(C)ccc12 637490 AWSNEOYSHTXRGN-UHFFFAOYSA-N 357.409 4.809 0 50 FJAA O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc(Cl)cc2)n1 753322 UDGBCKNUZXVPJS-UHFFFAOYSA-N 355.802 4.943 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1C 881431 IOQIRXNUKWDXQZ-UHFFFAOYSA-N 367.499 4.554 0 50 FJAA CC(C)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 956584 XOQMSVWMJCHHDC-UHFFFAOYSA-N 363.280 4.544 0 50 FJAA CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc(C(C)=O)c1C 1116574 BKTPIOJHZIHIGC-OAHLLOKOSA-N 373.474 4.568 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 1149001 FSEACNXWKPJDSW-NSHDSACASA-N 354.233 4.716 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1Cl 1179950 SJJIKNKAANZZRQ-JXMROGBWSA-N 351.258 4.520 0 50 FJAA CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 1293480 ZWOPTFYRXIIHSB-UHFFFAOYSA-N 359.385 4.541 0 50 FJAA CCN(CC)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2742100 ICDGHXIASIGVTD-UHFFFAOYSA-N 373.305 4.640 0 50 FJAA O=C(CCc1ccc(-c2ccc(Br)cc2)o1)NC1CCCC1 4542720 GHNILMDNZJFCHR-UHFFFAOYSA-N 362.267 4.701 0 50 FJAA COc1cc2c(c(OC)c1)[C@@H](c1ccc(-c3ccccc3)cc1)CC(=O)N2 4912966 AHUFDOKNWRGUFZ-LJQANCHMSA-N 359.425 4.845 0 50 FJAA COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 36620343 XOMHXQABDFFZSH-KRWDZBQOSA-N 360.841 4.726 0 50 FJAA c1ccc(-c2ncn(CCc3nc4c(s3)CCC4)c2-c2ccncc2)cc1 65382589 CEUVHLHGFDFSIU-UHFFFAOYSA-N 372.497 4.800 0 50 FJAA Cc1ccsc1-c1c(-c2ccccc2)ncn1C[C@H](O)c1cccnc1 65410470 FDCOBARPGLSKPI-SFHVURJKSA-N 361.470 4.716 0 50 FJAA CCSc1ncc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)cn1 65507553 IZWAWYSJKNOXHZ-UHFFFAOYSA-N 373.485 4.562 0 50 FJAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72418341 OYFUZZWYPUGQAN-OAHLLOKOSA-N 359.897 4.877 0 50 FJAA Cc1cc(C(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)c2cccc(C)c2n1 82147768 GEAFMMSCLZYZEM-LJQANCHMSA-N 363.461 4.940 0 50 FJAA c1ccc(-c2ccc(CN3CCc4[nH]cnc4[C@H]3c3ccccn3)s2)cc1 230509291 FJKVHPOYNWASDC-JOCHJYFZSA-N 372.497 4.681 0 50 FJAA O=C(O[C@@H]1C[C@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@]31C2)c1ccc(Br)cc1 257355635 BUGJTNHLPOOKIC-XQBFZOAOSA-N 361.279 4.821 0 50 FJAA CC(=O)c1cccc(-c2ccc(C(=O)NCCCC[C@H]3CCCO3)cc2)c1 426372549 ZEJPADGLHXMTQX-QFIPXVFZSA-N 365.473 4.635 0 50 FJAA Cc1c(C)n(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc12 902652 GQDOAJUAWQIXGO-UHFFFAOYSA-N 363.442 4.741 0 50 FJAA CCOc1cc(C=O)cc(Br)c1OCc1ccccc1Cl 1086279 DWUVBUFBMZOUJW-UHFFFAOYSA-N 369.642 4.893 0 50 FJAA O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1Br 1136912 ZNWBJNIMWWJWCJ-UHFFFAOYSA-N 362.610 4.870 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1C 1218374 WYWBSZNOEBZJLW-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA Cc1ccc2[nH]c(C)c(CCn3c(C)nc(=O)c(-c4ccccc4)c3C)c2c1 1421878 RBNJPTIJFFLRGL-UHFFFAOYSA-N 371.484 4.868 0 50 FJAA CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1 1480426 MFSLJLADKBBSPT-QGZVFWFLSA-N 365.458 4.530 0 50 FJAA Cc1cc(=O)oc2cc(OC(=O)c3ccc(-c4ccccc4)cc3)ccc12 4036599 ZWGXZKOJLWIYEN-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA COc1cc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc(OC)c1 15867111 XBVICMZSUBUXPI-QGZVFWFLSA-N 360.479 4.915 0 50 FJAA Cc1ccc2nc(NC(=O)c3sc(-c4cccnc4)nc3C)sc2c1 20607101 IEHPFHDZORMVTR-UHFFFAOYSA-N 366.471 4.684 0 50 FJAA Clc1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 43198639 LAZDHJOKXLERBM-UHFFFAOYSA-N 360.914 4.803 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1Cl 65395579 OXZPIZWGAMVILZ-UHFFFAOYSA-N 351.233 4.903 0 50 FJAA COc1cccc(-c2ccccc2NC(=O)N2CCOC3(CCCC3)C2)c1 97527811 BLTCAFPZLLGGFA-UHFFFAOYSA-N 366.461 4.539 0 50 FJAA O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc2ccsc12 466266116 WPNSZLHJPLPEPO-DNVCBOLYSA-N 351.471 4.799 0 50 FJAA Cc1cccc([C@H](NC(=O)N2CCC3(CCCO3)CC2)c2cccs2)c1 584886183 GOBGCTUAXFJMKH-IBGZPJMESA-N 370.518 4.501 0 50 FJAA O=C(Nc1cnn(-c2ccccc2Cl)c1)C1CCC(C(F)(F)F)CC1 766611832 RIQXYCCYPAMELM-UHFFFAOYSA-N 371.790 4.833 0 50 FJAA CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@H]1CCCc2ccccc21 823662636 PMNDIKOJUQKLLZ-QHCPKHFHSA-N 362.517 4.822 0 50 FJAA COc1ccc2[nH]c(CN3CCC[C@@H](C(=O)c4cccs4)C3)c(C)c2c1 824757892 UPPCTCSBVDBBQQ-OAHLLOKOSA-N 368.502 4.641 0 50 FJAA C[C@@H](CC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1)c1c[nH]c2ccccc12 1875349669 IALNZXPGLLTPOC-AWEZNQCLSA-N 364.445 4.662 0 50 FJAA CCc1c(C)[nH]c2ccccc2c1=NCc1csc(C(F)(F)F)n1 2325826936 QMPKBZFUZJVWDS-UHFFFAOYSA-N 351.397 4.615 0 50 FJAA O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CC(CCc2ccccc2)C1 2325866503 NLFBRMOJIIFYSA-XUTJKUGGSA-N 368.908 4.860 0 50 FJAA O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Cl)cc1Cl 1146392 UTTHJZUMNRHBAO-UHFFFAOYSA-N 357.196 4.953 0 50 FJAA C[C@H]1CCc2c(sc3ncnc(SCCOc4ccccc4)c23)C1 1783372 ZZNAFZIFFZSIGG-ZDUSSCGKSA-N 356.516 4.987 0 50 FJAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(F)cc3)n2)cc1Cl 13330904 SKVPRTKOQOXHMI-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA O=C(CC1CCCC1)N(Cc1cccc(OC[C@H]2CCCCO2)c1)C1CC1 14980761 ILBJWDAJJHJRES-JOCHJYFZSA-N 371.521 4.706 0 50 FJAA Fc1ccc(CN2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cc1 14986019 OVESRKOFGNHXSA-UHFFFAOYSA-N 353.416 4.735 0 50 FJAA Cc1cccc(C)c1NC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 15072428 OBTXQFBLQNMQPC-INIZCTEOSA-N 359.420 4.690 0 50 FJAA O=C(c1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2Cl)no1 20912322 XPRZYRVBMJTMQJ-QGZVFWFLSA-N 367.836 4.757 0 50 FJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2cccc(C)n2)cc1 39508862 AHOUWNOPYNOKIC-OAQYLSRUSA-N 360.505 4.687 0 50 FJAA C[C@H](c1nccs1)N(C)C(=O)c1cccc(NCc2cccs2)c1 55393702 SHIZUWDWNPUXOB-CYBMUJFWSA-N 357.504 4.650 0 50 FJAA CNC(=O)c1cccc(Cn2cnc(-c3ccccc3)c2-c2ccsc2)c1 63835250 SWTDANHEIHFZAZ-UHFFFAOYSA-N 373.481 4.687 0 50 FJAA O=C(c1ccccn1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71405791 UITAXTQSSGSTTA-HNNXBMFYSA-N 362.395 4.585 0 50 FJAA CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Cl)c(C)c2)c(C)n1O 136088692 KOWMPHUKYKTEMX-UHFFFAOYSA-N 355.845 4.807 0 50 FJAA Cc1ccc(NC(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)c2cccnc12 426496892 KKCHFDZXHDJFGC-SFHVURJKSA-N 374.488 4.533 0 50 FJAA c1ccc(-c2ncc(CN3CCCC[C@@H]3CCc3cccs3)cn2)nc1 952960155 ANXFXXQVELGDCI-GOSISDBHSA-N 364.518 4.587 0 50 FJAA c1ccc(Cc2ncoc2-c2cnc3c(-c4ccccc4)cnn3c2)cc1 2356153945 BJUZCBWCEVBXFK-UHFFFAOYSA-N 352.397 4.642 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 626864 VCDSEIGLTYTHCB-UHFFFAOYSA-N 353.205 4.814 0 50 FJAA O=C(COc1ccc(Br)cc1)Oc1ccc2ccccc2c1 1138506 RYKMYVUVKOZBBZ-UHFFFAOYSA-N 357.203 4.587 0 50 FJAA O=C(NC1CCCCC1)c1ccccc1NC(=S)Nc1ccccc1 1152621 MUBKOKVQPDXNJP-UHFFFAOYSA-N 353.491 4.558 0 50 FJAA O=C(Nc1cccc(OCc2ccccc2)c1)C(=O)c1c[nH]c2ccccc12 2561935 PKAJTDYJPNBMLA-UHFFFAOYSA-N 370.408 4.568 0 50 FJAA CC[C@@H](C)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5061680 CRSBMRJNJIXPFW-DOMZBBRYSA-N 365.304 4.850 0 50 FJAA Cc1c([C@@H](C)NC(=O)c2ccsc2)cnn1-c1cccc2ccccc12 12709814 LBRBGVQMUICXIQ-CQSZACIVSA-N 361.470 4.886 0 50 FJAA FC(F)(F)c1cccc(-c2ccc(CNCCOc3ccccn3)o2)c1 57354907 PPQFHPSHYMLLNB-UHFFFAOYSA-N 362.351 4.529 0 50 FJAA Nc1ncccc1CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71764797 PZKBWJPOMOBVJX-HNNXBMFYSA-N 363.427 4.527 0 50 FJAA Cc1cccc(SC2CCN(C(=O)c3cccc4cccnc34)CC2)c1 77298101 AGGYKDKAUUZJJZ-UHFFFAOYSA-N 362.498 4.940 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1C 101704777 BVYQQUAKLMRBDS-SNHGZMDHSA-N 361.441 4.631 0 50 FJAA O=C1[C@H]2[C@H]3C4=C([C@H]5CC[C@H]4C5)[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccccc1 257355881 DEUZBUZVORBQQL-RLJMAYKOSA-N 371.480 4.649 0 50 FJAA FC(F)(F)CNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1 263639804 JKTDQWMXCSQRGS-UHFFFAOYSA-N 361.698 4.852 0 50 FJAA COc1cncc(-c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2)c1 426360020 VYWNKBNHCBXGGS-QFIPXVFZSA-N 373.456 4.520 0 50 FJAA CC(=O)c1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cs1 1506404182 BHSDYOQRSNZOTQ-HNNXBMFYSA-N 356.516 4.940 0 50 FJAA Cc1nc([C@H](C)NC(=O)/C=C/c2ccc(-c3ccccc3F)s2)[nH]c1C 2325731498 UAZQEQJVBDCUPR-MARXPDLDSA-N 369.465 4.785 0 50 FJAA CC(C)C(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 950502 PGUHFKNYJPELBU-UHFFFAOYSA-N 352.217 4.807 0 50 FJAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 1140883 IFUDUQWGDXCBGS-OAHLLOKOSA-N 362.429 4.700 0 50 FJAA CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1Br 1156777 QDPRXOMQMZKYDE-UHFFFAOYSA-N 362.267 4.971 0 50 FJAA O=S(=O)(Cc1ccccc1)Nc1ccccc1Sc1ccccc1 4731542 MLDYUSJMYMRCMP-UHFFFAOYSA-N 355.484 4.780 0 50 FJAA Cc1sc2nc(SCC(=O)c3ccc(Cl)cc3)nc(N)c2c1C 4758460 BEPQLEICSSCJNV-UHFFFAOYSA-N 363.895 4.519 0 50 FJAA COc1ccccc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 4817299 FLIKVGYOJWGWQE-UHFFFAOYSA-N 370.496 4.589 0 50 FJAA Cc1cccc2c(C(=O)NCCc3ccccc3)cc(-c3cccnc3)nc12 6789506 XJMNYMLRMJXRSI-UHFFFAOYSA-N 367.452 4.578 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3cc(C)cc(C)c3)s2)cc1 17180562 KGZQJZXTLJDQDO-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2cccc(C)n2)cc1 39508864 AHOUWNOPYNOKIC-NRFANRHFSA-N 360.505 4.687 0 50 FJAA O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Cc2ccncc2)cc1 71376494 RATLRFHMKZPBSF-UHFFFAOYSA-N 354.812 4.646 0 50 FJAA CCN1C[C@H](c2ccccc2)CC2(CCN(Cc3csc(C)n3)CC2)C1 91793804 LXQPKPUJVLKAQJ-HXUWFJFHSA-N 369.578 4.543 0 50 FJAA COCCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 96149263 NRBFTTZSMXONHG-LJQANCHMSA-N 372.440 4.610 0 50 FJAA CNc1cc2ccc(-c3ccc(OC)c(OC)c3)c(NC)c2cc1OC 2049513477 BTQRXNUTNSNRKM-UHFFFAOYSA-N 352.434 4.616 0 50 FJAA COc1ccc2c(N[C@H](C)c3ccc4nc(C5CC5)[nH]c4c3)ncnc2c1 2325878415 OLLIPMLNLDBMHH-GFCCVEGCSA-N 359.433 4.565 0 50 FJAA COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Br 671065 CKBQVJHNGRMCTB-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)cc1 951499 XCLHMCZZXRSSHV-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA COc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1 991880 HUCDSDHJSZGPFK-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA COc1ccc2c(c1)sc1nc(-c3ccccc3Br)cn12 1199515 GILGVEYFEPQPRJ-UHFFFAOYSA-N 359.248 4.987 0 50 FJAA S=c1n(CN2CCCCC2)nc(-c2ccccc2)n1-c1ccccc1 4571158 WCQYBGJFZCQXDB-UHFFFAOYSA-N 350.491 4.514 0 50 FJAA CC[C@H](C)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5061683 CRSBMRJNJIXPFW-SWLSCSKDSA-N 365.304 4.850 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 44934943 MWKLWPJOVVIWOR-GOSISDBHSA-N 368.496 4.532 0 50 FJAA CC(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2scnc2C)cs1 96166371 XWTSFJTWWSKXHL-UHFFFAOYSA-N 370.499 4.558 0 50 FJAA 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@@]12C 257349655 PWDNBUZSKOZXCR-VLYWNLDHSA-N 362.554 4.815 0 50 FJAA CC(C)(C)OC(=O)N1CCC(CN2CCC(Cc3ccccc3)CC2)CC1 526056047 IFESAUANYXGXTD-UHFFFAOYSA-N 372.553 4.588 0 50 FJAA CNC(=O)[C@H]1CCCc2sc(C=Cc3csc(C(F)(F)F)c3)nc21 1857527348 PDFZYFJHLCJHPR-JTQLQIEISA-N 372.437 4.560 0 50 FJAA O=C(N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2c(O)n1 1875260416 BOLVFRXSXSGQNA-AEFFLSMTSA-N 366.848 4.660 0 50 FJAA COc1ccccc1C1(CN[C@@H]2c3ccccc3OC[C@@H]2F)CCCC1 1875336333 XBICYACIUAWYKS-GHTZIAJQSA-N 355.453 4.568 0 50 FJAA O=C(Nc1cccc(Br)c1)Oc1ccc(Br)cc1 640922 JDPKZXDOKMZYLV-UHFFFAOYSA-N 371.028 4.823 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccoc1C 680066 AFJJALGFDTVWSX-UHFFFAOYSA-N 355.415 4.746 0 50 FJAA Clc1ccc(CCNC2CCN(Cc3ccccc3)CC2)c(Cl)c1 757764 WMEXQHGRMWPOEF-UHFFFAOYSA-N 363.332 4.790 0 50 FJAA COC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 1056386 YQBHSNLAXLWUQP-UHFFFAOYSA-N 366.442 4.523 0 50 FJAA CCC(=O)c1c(OC(=O)c2ccccc2Cl)ccc2c(C)cc(=O)oc12 1140304 YDMWDPFYUVFAJM-UHFFFAOYSA-N 370.788 4.567 0 50 FJAA biogenic O[C@@H](CNc1cccc(Cl)c1)Cn1c2ccccc2c2ccccc21 2333718 KITYXOSZSFHNRT-KRWDZBQOSA-N 350.849 4.921 0 50 FJAA Cc1ccccc1OCCNC(=O)/C=C/c1ccc(-c2ccccc2)cc1 2810330 ZIIIGWUYUXNCNZ-DTQAZKPQSA-N 357.453 4.870 0 50 FJAA biogenic Cc1cc(=O)oc2cc(OCCSc3nc4ccccc4s3)ccc12 2827766 KELBOPLPVGINDV-UHFFFAOYSA-N 369.467 4.882 0 50 FJAA biogenic COc1cc2c(cc1NC(=S)NCc1ccco1)oc1ccccc12 2858942 KBSYDLQOBWVCSJ-UHFFFAOYSA-N 352.415 4.674 0 50 FJAA CC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 3069673 QONAMHQEEVYIEJ-UHFFFAOYSA-N 366.244 4.994 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)cc1 12301074 BKSUIUGIHWMCQW-QGZVFWFLSA-N 364.514 4.985 0 50 FJAA Cc1ccc(C)c(-c2cn3c(C(=O)N4CCCCCC4)csc3n2)c1 12445155 ZMOHGZRCXNQGIB-UHFFFAOYSA-N 353.491 4.696 0 50 FJAA CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cs1 12719102 XFKBIFVPXNXWSZ-MRXNPFEDSA-N 361.894 4.699 0 50 FJAA Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)cc(Cl)c3)no2)cc1 16579642 YLQSMJUBOVHISJ-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA CCCc1nc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)cs1 77299259 AGCJMHYJQNPZME-IBGZPJMESA-N 371.550 4.525 0 50 FJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1c[nH]nc1-c1cccc(F)c1 92061695 UNGXFJLIOAJOFK-IBGZPJMESA-N 366.440 4.614 0 50 FJAA C[C@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(C)O 239284809 CBNTXTSZXBMDJP-LOAVNOHISA-N 364.316 5.402 0 50 FJAA COc1cccc(C(=O)Nc2ccccc2[C@H](O)c2ccc(Cl)cc2)c1 1857526182 VIPCEFIQMJNMGY-HXUWFJFHSA-N 367.832 4.683 0 50 FJAA Fc1cc(CNCc2ccc3ccoc3c2)ccc1OCC(F)(F)F 2325734860 QGRSNYABIXZUJH-UHFFFAOYSA-N 353.315 4.803 0 50 FJAA CCOc1cc(C(=O)Nc2cccc(CC)c2)cc(OCC)c1OCC 671719 GMOGXKWLQBOWME-UHFFFAOYSA-N 357.450 4.697 0 50 FJAA CCOc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 675085 OGFWPHFYEHXELV-UHFFFAOYSA-N 372.218 4.761 0 50 FJAA COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 754678 JUOJFKDHERKCTJ-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1ccc(C(=O)C[C@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 868795 MQFMDJVSNAFYFS-HXUWFJFHSA-N 370.495 4.845 0 50 FJAA Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 888455 MLJLZVLLDQCCOB-UHFFFAOYSA-N 365.380 4.766 0 50 FJAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)c(Cl)cc12 2287566 KKPMNZFZHGZZAD-UHFFFAOYSA-N 363.196 4.670 0 50 FJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1C2CC3CC(C2)CC1C3 4599857 KFCNRRNKZOGWFV-STDAWHRDSA-N 368.304 4.702 0 50 FJAA Cc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 4733381 NKVPTJUYRWEGPQ-UHFFFAOYSA-N 361.493 4.859 0 50 FJAA CCCn1ncc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c1C 14972966 NGCKLWRBBJFDMQ-QGZVFWFLSA-N 373.928 4.658 0 50 FJAA O=C(C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)NCc1cccnc1 16623795 IIIBRVOCGTUQIM-FQEVSTJZSA-N 368.839 4.713 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c(OC)c1 36621164 NPMIQXRDAGERFF-QGZVFWFLSA-N 360.841 4.726 0 50 FJAA CCCc1ccc(CN2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)o1 67896278 GQNDVQCCDLLPGF-UHFFFAOYSA-N 364.489 4.572 0 50 FJAA Cn1ccnc1-c1ccccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 77407865 IODKCLKYHYPRFJ-FQEVSTJZSA-N 363.436 4.594 0 50 FJAA O=C(O)c1ccc(Nc2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)cc1 170621816 OKKFHGQKTNGZNT-UHFFFAOYSA-N 374.322 4.681 0 50 FJAA Fc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 1506397089 PIBRJKJTKKKGIK-UHFFFAOYSA-N 352.375 4.557 0 50 FJAA CC1=CC2(CCN(C(=O)c3ccccc3-c3ccc(F)cc3)CC2)OCC1 2356159759 PHKMWMOPVNITHK-UHFFFAOYSA-N 365.448 4.834 0 50 FJAA CC(=O)c1ccc(N2CCN(CCC3=C(C)CCCC3(C)C)CC2)cc1 756634 DPFOTDPFHHAALV-UHFFFAOYSA-N 354.538 4.928 0 50 FJAA CCCc1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12 857463 XVZXIEPDUSRTHB-SFHVURJKSA-N 360.457 4.582 0 50 FJAA Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(N)c1 1143543 ZUKGRVUEHXEDBE-UHFFFAOYSA-N 352.507 4.654 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 1204129 SFJBKKLZHJKIGK-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA Cc1cccc(C(=O)N[C@@H](Oc2ccccc2)C(Cl)(Cl)Cl)c1 1232907 XFSIMZGVOITSER-HNNXBMFYSA-N 358.652 4.500 0 50 FJAA CCCCC(=O)Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 2856006 NCNBOBNFWNTHOJ-UHFFFAOYSA-N 353.447 4.677 0 50 FJAA Cc1ccccc1-c1noc(-c2ccccc2C(=O)NCc2ccccc2)n1 4820711 LYSUTEDLZSIAHB-UHFFFAOYSA-N 369.424 4.642 0 50 FJAA CC(=O)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 5495598 SUHHNNDIEZEUBH-HNNXBMFYSA-N 371.742 4.602 0 50 FJAA O=C(Nc1cccc(-c2noc(Cc3ccccc3)n2)c1)c1cccs1 6697906 GHSJMFXMYPYHHM-UHFFFAOYSA-N 361.426 4.641 0 50 FJAA COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 6701460 TUFXSCFPAIRBDJ-UHFFFAOYSA-N 373.412 4.768 0 50 FJAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccc(F)cc1F 13331267 HWMPIHIYOZBDDO-UHFFFAOYSA-N 374.366 4.610 0 50 FJAA Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc2[nH]ccc2c1 13691691 LQVJSQYGXKIWIZ-UHFFFAOYSA-N 351.406 4.991 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cc1C 22457871 ICOWXOFSXGFKIP-UHFFFAOYSA-N 370.412 4.668 0 50 FJAA Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc(O)c2)c1 32639525 ACQFIOBLPYQSQF-SEYXRHQNSA-N 354.409 4.570 0 50 FJAA CCN(CC)CCN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21 71770231 HEOHNSKXQPODRH-FQEVSTJZSA-N 354.519 4.599 0 50 FJAA Cc1nccc(-c2ccccc2)c1C(=O)N(C)Cc1cccc2ncccc12 82096481 OHJIRSHHGKLSRV-UHFFFAOYSA-N 367.452 4.877 0 50 FJAA Cc1cc(Cl)ccc1NC(=O)N1CCC(c2nccn2C(C)C)CC1 92020151 HWAVDTUBJXGNSQ-UHFFFAOYSA-N 360.889 4.837 0 50 FJAA CN(CC[C@H]1CCCCO1)C(=O)Nc1ccc(SCc2ccco2)cc1 95498573 KASHRNJATQQRCH-QGZVFWFLSA-N 374.506 4.995 0 50 FJAA OC1=C[C@]2(CCC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 100671121 CEGXVWAWDVNTOW-FPOVZHCZSA-N 350.393 4.691 0 50 FJAA Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@@H]4CCCC[C@H]43)[nH]2)o1 230085690 VLVWGMXMHWHUKW-ALZIZJOTSA-N 358.511 4.625 0 50 FJAA C[C@@H]1CN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)CCCO1 299803193 ZSFHDSWURAYPGV-CQSZACIVSA-N 363.379 4.623 0 50 FJAA C[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1 825550546 LEZOZCPDRTXIRA-GFCCVEGCSA-N 359.832 4.863 0 50 FJAA Cc1ccccc1-n1nc(CC(C)C)nc1CCOc1cccc(F)c1 1875348535 UQNCDFSQNGIREL-UHFFFAOYSA-N 353.441 4.535 0 50 FJAA O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(-c2ccccc2)cc1 2295637 QIMQMTYCMVNFNL-UHFFFAOYSA-N 356.377 4.722 0 50 FJAA biogenic CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 2882067 UDAWVHFSOVLDOH-UHFFFAOYSA-N 367.898 4.971 0 50 FJAA FC(F)(F)c1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1 8038860 LNGULSDNZKXCHT-UHFFFAOYSA-N 356.351 4.785 0 50 FJAA CC(C)c1nc2cc(C(=O)N3CC[C@@H](c4ccccc4F)C3)ccc2o1 12592452 KWQYEOFZXORBPQ-OAHLLOKOSA-N 352.409 4.720 0 50 FJAA O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1 13829441 KINMYBBFQRSVLL-UHFFFAOYSA-N 350.370 4.777 0 50 FJAA in-vivo Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1C 17889240 AGABDVAOEBUVHP-LPTQZCDUSA-N 361.441 4.797 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)c2ccncc2Cl)cc1 73846802 ZLHZFUIRKPUPAN-UHFFFAOYSA-N 354.793 4.788 0 50 FJAA COc1ccccc1-c1ncc(CN2CCC[C@@H]2c2c(C)noc2C)s1 215404963 DRNMNUYQESXAAA-QGZVFWFLSA-N 369.490 4.761 0 50 FJAA CCC[C@H](C)c1n[nH]c2c1CN(Cc1ccc([C@H]3CCCCO3)o1)CC2 244724739 MZUGPDVKLYDSDC-HNAYVOBHSA-N 357.498 4.706 0 50 FJAA FC(F)(F)c1ccc2c(c1)CN(c1nccc(Oc3ccccc3)n1)CC2 1458537815 PSQHHYYQIIIYOM-UHFFFAOYSA-N 371.362 4.850 0 50 FJAA CCN(CC)CCN(CC(C)C)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 1464011636 JUINGOIWEBFWPJ-UHFFFAOYSA-N 357.542 4.731 0 50 FJAA CC(C)(C)[C@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H](c2ccccc2)O1 1529105790 IBPLVCXGUCKETG-RBUKOAKNSA-N 359.416 4.593 0 50 FJAA Cc1ccc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)o1 1704343045 IQPORFBMQQUHQB-HSZRJFAPSA-N 359.473 4.525 0 50 FJAA Cc1cc(O)nc2ccc(NC(=O)N[C@@H](C)c3cccc4cccnc34)cc12 1875336222 WTQQCGWLCRBIBJ-AWEZNQCLSA-N 372.428 4.680 0 50 FJAA CC[C@H](Nc1cc(Nc2ccccc2)ncn1)c1cccc(OC)c1OC 2325839907 JHVRXVCOWVICBM-KRWDZBQOSA-N 364.449 4.801 0 50 FJAA O=C1NC(=S)N(C2CCCCC2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 756495 PTXAETVOBJKGAB-UXHICEINSA-N 364.514 4.561 0 50 FJAA CCSc1ccccc1C(=O)Nc1cc(OC)c(Cl)cc1OC 2853977 PWWVLNZPRCJAHH-UHFFFAOYSA-N 351.855 4.722 0 50 FJAA CC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2Cl)cc1 2858738 FBXUVTHBJQCSJS-UHFFFAOYSA-N 367.630 4.949 0 50 FJAA CCCCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 2913543 BNEYBLYACJGJJM-UHFFFAOYSA-N 357.397 4.849 0 50 FJAA CCOc1ccc(OCCOCCOc2ccc(Cl)c(CC)c2)cc1 2983590 XZRKRVOTJLZTKY-UHFFFAOYSA-N 364.869 4.776 0 50 FJAA O[C@H](c1ccccn1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 13282592 LUDFDSXDVJABBT-HNNXBMFYSA-N 372.268 4.749 0 50 FJAA in-vitro Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 240407410 FMAUFLZCNHINFW-ZIBCJSCZSA-N 367.489 4.586 0 50 FJAA Cc1ccc(NC(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c(C)c1 252517953 VYLMWEABEGEBJB-NGRWLJPCSA-N 365.521 4.582 0 50 FJAA CCn1c(C)cc2cc(NC(=O)N[C@H](c3cccc(C)n3)C3CC3)ccc21 299801161 VGBWZYCDNMUWNU-NRFANRHFSA-N 362.477 4.946 0 50 FJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[C@@H]1c1ccccc1 755098 NGPJRMALIRIVRY-WOJBJXKFSA-N 353.425 4.744 0 50 FJAA CCOc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 949040 FBRBRIFDHYRJCL-UHFFFAOYSA-N 363.461 4.522 0 50 FJAA O=C(Nc1cccc2cccnc12)c1cc(Br)ccc1Cl 1065308 LOLAAYPIXNHKTO-UHFFFAOYSA-N 361.626 4.903 0 50 FJAA CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 1461205 LEGIFIOZTPFJBR-RISCZKNCSA-N 359.853 4.845 0 50 FJAA Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)cc1F 2796557 KXECXCDNDWAMOW-UHFFFAOYSA-N 373.815 4.581 0 50 FJAA Cc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl 2814724 VNVUXZNIVQYWBQ-UHFFFAOYSA-N 354.302 4.965 0 50 FJAA COc1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 2818400 MOYSUKPYZZVCSD-UHFFFAOYSA-N 370.301 4.665 0 50 FJAA Cc1nc2ccccc2n1C[C@@H](O)Cn1c2ccccc2c2ccccc21 3876789 JPPYNSLIOBRLRO-QGZVFWFLSA-N 355.441 4.514 0 50 FJAA C[C@@H](c1ccon1)N(C)C(=O)CC1c2ccccc2CCc2ccccc21 15063958 ZBSSPUWJLSNNFX-INIZCTEOSA-N 360.457 4.515 0 50 FJAA COc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c(OC)c1 15867107 GLTCKDBYWLVENR-MRXNPFEDSA-N 360.479 4.915 0 50 FJAA Cc1csc([C@@H](C)N(C)Cc2nc(-c3cccc(F)c3F)oc2C)n1 20535714 IGAMBTJWJWHUBI-LLVKDONJSA-N 363.433 4.886 0 50 FJAA Cc1cnc(NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)nc1N 71523660 WKYMYURSXDKZKS-UHFFFAOYSA-N 361.424 4.575 0 50 FJAA Cc1cc(CNC(=O)c2nc(C)oc2C)c2[nH]c(-c3ccccc3)c(C)c2c1 71755389 KTRCIAILGFXFFR-UHFFFAOYSA-N 373.456 4.987 0 50 FJAA O=C(c1ccc(-c2cccnc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71762497 VGGOQESWCZNIHF-LJQANCHMSA-N 357.457 4.554 0 50 FJAA Oc1cccc(CN2CCCC23CCN(c2ccc4ncccc4c2)CC3)c1 72433644 VTKNDHYORZRPSV-UHFFFAOYSA-N 373.500 4.575 0 50 FJAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 77284738 WOZGUELFOOVYPC-GOSISDBHSA-N 370.456 4.578 0 50 FJAA CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)CC(C)(C)CC(C)=O 170609484 JEYBZUPQWIZRSJ-LJQANCHMSA-N 370.493 4.516 0 50 FJAA Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 170630949 XGEZHQDJNPCJIE-WIYYLYMNSA-N 366.505 4.628 0 50 FJAA CN(Cc1cnc(C2CCCCC2)nc1)Cc1cc(-c2ccccc2)no1 215836017 IIOWKWXPCJVKIQ-UHFFFAOYSA-N 362.477 4.811 0 50 FJAA Cc1cc(-c2noc(CNc3ccc4c(c3)[C@H](O)CC4(C)C)n2)ccc1F 253419654 QOEXTSXPZRCFPT-GOSISDBHSA-N 367.424 4.511 0 50 FJAA CN(Cc1ccccc1OCc1c(F)cccc1Cl)C[C@H]1CCOC1 823715110 OOAFVRKBZJOSNN-OAHLLOKOSA-N 363.860 4.526 0 50 FJAA OCC1([C@H](NCc2cccc(O)c2Cl)c2ccccc2)CCCCC1 1474581436 NGOFAGWVXQHHNM-HXUWFJFHSA-N 359.897 4.819 0 50 FJAA Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1nccc2[nH]ccc12 2325791769 PKJXYCJGHRVHGF-SFHVURJKSA-N 361.470 4.647 0 50 FJAA COc1ccc(Br)cc1-c1cc(Br)ccc1OC 641514 YAJRLSQAVCETBJ-UHFFFAOYSA-N 372.056 4.896 0 50 FJAA biogenic O=C(NCc1ccc(Cl)c(Cl)c1)c1ccccc1Br 671417 YUABUCQKHJEZMB-UHFFFAOYSA-N 359.050 4.686 0 50 FJAA O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 868791 GYYHTKCNTQNSRK-LJQANCHMSA-N 374.845 4.721 0 50 FJAA O=C(Nc1ccc(Cl)cc1F)c1cccc(OC(F)(F)C(F)F)c1 1001887 SYJTYIGNGGEXHH-UHFFFAOYSA-N 365.685 4.968 0 50 FJAA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(F)c1F 1022825 QUZDIMMGGFAXAJ-UHFFFAOYSA-N 352.312 4.619 0 50 FJAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 1131271 RUSOYIPXLZXXQL-HZPDHXFCSA-N 370.518 4.643 0 50 FJAA COc1cccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)c1 5408866 NMEIMKXERKEJQE-UHFFFAOYSA-N 366.467 4.785 0 50 FJAA Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1 5488787 KVUPCMOXROJXJM-UHFFFAOYSA-N 350.292 4.927 0 50 FJAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc(C)c1 6743931 PHFCIJQWOOQXEX-UHFFFAOYSA-N 370.840 4.752 0 50 FJAA COc1ccc([C@@](C)(O)[C@@H](c2ccc(Cl)cc2)c2ccccn2)cc1 71767127 JZQKTTVXWBFJEY-LEWJYISDSA-N 353.849 4.783 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCCC[C@@H]3c3cccnc3)c2c1 91713625 UICHWCTUTLXEHN-OAQYLSRUSA-N 361.489 4.784 0 50 FJAA Cc1c(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)[nH]c2ccccc12 91849247 DBRATPHQEGEMGE-MRXNPFEDSA-N 372.472 4.681 0 50 FJAA COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)c1 100739034 CRHIFKBJGUGNCB-UYAOXDASSA-N 356.853 4.874 0 50 FJAA Cc1ccc(CNC(=O)C[C@]2(c3ccccc3C)CCOC(C)(C)C2)s1 299778870 RGMVSCLINMLYBF-JOCHJYFZSA-N 371.546 4.898 0 50 FJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H]1[C@H]1CCCc2ccccc21 372039731 VLCHKGGBBXCNBP-OALUTQOASA-N 365.477 4.977 0 50 FJAA O=C(c1ccc(-c2cc(O)c(F)c(F)c2)cc1)N1C[C@H]2CCC[C@H](C2)C1 426734515 ODOVNOCWSPVFLV-OKILXGFUSA-N 357.400 4.600 0 50 FJAA O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc(O)nc2ccccc12 1457638313 ZRYRQUOVTKLWBV-JOCHJYFZSA-N 372.399 4.599 0 50 FJAA Cn1cc(-c2cc(CN3CCCC3)ccc2F)c(-c2ccc(F)cc2)n1 1875290207 GLHCUEKLUCACFN-UHFFFAOYSA-N 353.416 4.628 0 50 FJAA O[C@@]1(c2ccccc2)CCC[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@H]21 2356162362 AEKAIPFOFALBMG-NYSBEXSLSA-N 359.872 4.599 0 50 FJAA O=C(CSCc1ccccc1Br)Nc1ccc(Cl)cc1 1178966 OMKVPOQFKNUFRY-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA CCCC(=O)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 2971535 QAJKXWJYKJZSCB-UHFFFAOYSA-N 370.277 4.929 0 50 FJAA CCCC[C@H](CC)C(=O)NCC(C)(C)CNC(=O)[C@@H](CC)CCCC 4893772 KEPBYSCSYYGEIU-ROUUACIJSA-N 354.579 4.678 0 50 FJAA COc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2n1 5627501 AJWUXJAXWWSPII-UHFFFAOYSA-N 358.850 4.628 0 50 FJAA CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 13786034 VDOHPCAQFNNDNS-DENIHFKCSA-N 360.413 4.921 0 50 FJAA CC(=O)c1ccccc1-c1cccc(-c2ccn(Cc3cscn3)n2)c1 20637807 ZQRHBTIFJOWOMJ-UHFFFAOYSA-N 359.454 4.925 0 50 FJAA CC(C)CN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2cc(F)ccc12 63870868 CAIZTBAVUFLTKO-UHFFFAOYSA-N 368.456 4.546 0 50 FJAA CC(=O)c1ccccc1C(=O)N1CCC(Sc2ccccc2C)CC1 77323699 CRMVCTFVUPTRHR-UHFFFAOYSA-N 353.487 4.595 0 50 FJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)CCC2=O 96180775 OCOFWJVEOVURDD-IBGZPJMESA-N 351.450 4.606 0 50 FJAA OC1=C[C@@]2(CCC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 100671119 CEGXVWAWDVNTOW-PZJWPPBQSA-N 350.393 4.691 0 50 FJAA COc1ccsc1CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1C 241126185 JKDKQDAENMMABU-OAHLLOKOSA-N 358.507 4.692 0 50 FJAA c1ccc(Cn2cc(CNCc3ccc4c(c3)OCO4)c3ccccc32)cc1 248089814 FHNSKSFZPABMEN-UHFFFAOYSA-N 370.452 4.708 0 50 FJAA CC(C)(CO)[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccs1 253427354 FHVISRRPHHVJMR-INIZCTEOSA-N 373.440 4.539 0 50 FJAA Cc1cc(C)c(-c2ccc(C(=O)NCCCNc3cccnc3)cc2)c(C)c1 426596472 JGJGQZREPBBJBG-UHFFFAOYSA-N 373.500 4.906 0 50 FJAA Cc1cc(NC(=O)[C@H](C)CCOc2ccccc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 1357830796 DBZSLIWLPCISTI-HGKSCXNLSA-N 367.493 4.596 0 50 FJAA COc1ccc(OC)c(NC(=O)Oc2c(C)cc(Cl)cc2Cl)c1 641176 VTJVXMJTTKFGSC-UHFFFAOYSA-N 356.205 4.930 0 50 FJAA COc1ccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1OC 647310 XTNDQFHZAMBZPE-UHFFFAOYSA-N 353.418 4.530 0 50 FJAA biogenic Cc1cc(Cl)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 671695 ZHRLDGBOLBAKKA-UHFFFAOYSA-N 357.881 4.509 0 50 FJAA CCCCOC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 2898603 IMXNQOXSGSGJOS-UHFFFAOYSA-N 360.266 4.784 0 50 FJAA COc1cccc(OCCOc2ccc(Br)cc2Cl)c1 2984164 ISNXIFGCHJLYFS-UHFFFAOYSA-N 357.631 4.569 0 50 FJAA C[P@](=O)(c1ccccc1)C(c1ccccn1)[P@@](C)(=O)c1ccccc1 4530402 WTZNUBAJGIFJLY-DQEYMECFSA-N 369.341 4.717 0 50 FJAA Cc1ccc(C(=O)N[C@@H](Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 5798805 REELBROHIWZMOI-MRXNPFEDSA-N 371.695 4.842 0 50 FJAA C[C@@H](Cc1cccnc1)NC1CCN(c2cccc(-c3ccccc3)c2)CC1 63855281 HONLOUBAMIBSFY-FQEVSTJZSA-N 371.528 4.938 0 50 FJAA O=C(c1ccc2cccc(F)c2n1)N(Cc1ccncc1)C1CCCCC1 91690623 SWQAFRVFEFZLJJ-UHFFFAOYSA-N 363.436 4.744 0 50 FJAA O=C1CCCc2cc(NCc3ccc(OCc4ccncc4)cc3)ccc2N1 130404507 PTPKQVFWWJERIX-UHFFFAOYSA-N 373.456 4.548 0 50 FJAA FC(F)(F)c1cc(Cl)c2c(Br)nc(C(F)(F)F)n2c1 261494852 MGDZFBQJEKQIEZ-UHFFFAOYSA-N 367.474 4.788 0 50 FJAA CC(C)(C)c1cc2c(Nc3ccc4c(cnn4C(F)F)c3)nccn2n1 1875334802 FIXBKJXAXRPFHY-UHFFFAOYSA-N 356.380 4.515 0 50 FJAA FC(F)(F)c1cc(Nc2nnnc3ccccc23)cc(C(F)(F)F)c1 1404326 GGRNSEKXBKGCEF-UHFFFAOYSA-N 358.245 4.806 0 50 FJAA COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1OC 2853557 JCSSUXUEXBVVEN-UHFFFAOYSA-N 356.369 4.532 0 50 FJAA Cc1ccc([C@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c(O)c1 4169940 MPLPNTXKJTUBEE-WMZHIEFXSA-N 373.496 4.970 0 50 FJAA Clc1ccc(-c2onc3ccc(I)cc23)cc1 4523798 CUYVSTHFPNJFFT-UHFFFAOYSA-N 355.562 4.753 0 50 FJAA O=C(Nc1ccc(F)cc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4600013 XCMNHUDNUWGCDV-UHFFFAOYSA-N 372.469 4.789 0 50 FJAA O=c1nc(/C=C/c2ccc(OCc3ccccc3)cc2)cc(C(F)(F)F)[nH]1 4810223 URYFTSHCRXXPSJ-RMKNXTFCSA-N 372.346 4.538 0 50 FJAA OC[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(-c3ccco3)cc2)C1 12053103 DVCFVXGCZULIGM-XMMPIXPASA-N 361.485 4.764 0 50 FJAA COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1 13327022 MPUVLMPBPXDOSD-UHFFFAOYSA-N 356.809 4.873 0 50 FJAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 95381851 JOQLCZUFKFSUMW-CQSZACIVSA-N 370.884 4.619 0 50 FJAA Cc1nc(N2CCCC2)ccc1NC(=O)N(Cc1ccco1)C1CCCC1 122203823 PPGDPVXKCZMNTO-UHFFFAOYSA-N 368.481 4.560 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 584895510 QDVZONBBDYTPOE-OAQYLSRUSA-N 374.484 4.933 0 50 FJAA O=C(c1cccc(-c2cccc(F)c2)c1)N(CC1CCC1)C[C@H]1CCCO1 826621339 DQMVFCFWSSEDOQ-JOCHJYFZSA-N 367.464 4.914 0 50 FJAA O=C(NC[C@@H]1CCCc2ccccc21)C1(Cc2cccc(F)c2)CCC1 1358073887 CJXQNTXHOFNNGA-IBGZPJMESA-N 351.465 4.775 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@H](C(C)C)O1 1857715992 RAOYICDXVIKUGL-FGZHOGPDSA-N 372.553 4.733 0 50 FJAA COC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1 1875332434 RPMFTJMWWHEWQI-UHFFFAOYSA-N 356.219 4.759 0 50 FJAA Nc1ncc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl 2325702286 GXUYUWHSNREHJT-AWEZNQCLSA-N 370.667 4.601 0 50 FJAA C[C@@H](Cc1cncc2ccccc12)C(=O)NC[C@H]1C[C@@H](c2ccccc2)C1 2325757719 XKIOICAEEVFQJV-BBTUJRGHSA-N 358.485 4.723 0 50 FJAA O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1 625242 NCQDDZVSJBSIPU-UHFFFAOYSA-N 373.275 4.749 0 50 FJAA CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1Br 1095240 IGCWUPXNUGNKTI-UHFFFAOYSA-N 354.631 4.754 0 50 FJAA CCOC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1113489 DDTMRTLXBDPGFT-UHFFFAOYSA-N 353.827 4.814 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 1116129 RACWADVJJPXMLS-LLVKDONJSA-N 368.658 4.817 0 50 FJAA CCCCc1ccc(NC(=O)COc2ccccc2Br)cc1 1768734 MBAFWTRLONVQGE-UHFFFAOYSA-N 362.267 4.809 0 50 FJAA O=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2597458 FEJYDIIUCHKBGH-UHFFFAOYSA-N 370.040 4.603 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 22130518 RDOROCRTFHATLH-UHFFFAOYSA-N 373.422 4.505 0 50 FJAA CC(C)(C)C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1cccnc1 55393286 WSLQAUMBBVFVTK-LJQANCHMSA-N 352.457 4.878 0 50 FJAA OCC1(Cc2ccccc2)CCN(c2ccc3cccc(Cl)c3n2)CC1 67675708 VSMTVGYXWPIHOQ-UHFFFAOYSA-N 366.892 4.710 0 50 FJAA Cc1nc(CN2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)co1 71639690 NWUHIZHXYFSYOR-INIZCTEOSA-N 352.400 4.847 0 50 FJAA O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccccc2Cl)CC1 77322210 HVOVCTDIUOEQSS-UHFFFAOYSA-N 372.877 4.633 0 50 FJAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 95381852 JOQLCZUFKFSUMW-AWEZNQCLSA-N 370.884 4.619 0 50 FJAA c1ccc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)cc1 670466104 MQVWJSPRWFJLFU-UHFFFAOYSA-N 370.562 4.525 0 50 FJAA O[C@H]1CCN(c2ccnc3cc(OC(F)(F)F)ccc23)Cc2ccccc21 1875270506 VJAJRFIIRWUJML-IBGZPJMESA-N 374.362 4.577 0 50 FJAA O=C(Nc1ccc2cccnc2c1)c1cc(F)c(C(F)(F)F)c(F)c1 1875332347 PKOGBXMHSBQQNR-UHFFFAOYSA-N 352.262 4.784 0 50 FJAA O=C(N[C@H]1CCC[C@H](c2ccc(F)cc2)C1)c1cc2ccccc2nc1O 1875341585 YQFFLJWLUJHEBB-YJBOKZPZSA-N 364.420 4.536 0 50 FJAA Cc1ccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C 2325709983 PFLVFPJYXCKKGT-UHFFFAOYSA-N 373.503 4.542 0 50 FJAA CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 11903227 ZBYYTKBAPVUMFP-ZDUSSCGKSA-N 353.491 4.807 0 50 FJAA Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)cc1 20201660 QCPURNUUWMOOHE-NRFANRHFSA-N 363.461 4.911 0 50 FJAA Cc1cc(C)cc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c1 169755216 RCJPBESSSPKVQQ-OAHLLOKOSA-N 367.836 4.527 0 50 FJAA CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CCCc2ccccc21 823662635 PMNDIKOJUQKLLZ-HSZRJFAPSA-N 362.517 4.822 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc3c2CCCC3)c(Br)c1 756521 JYCNUCPAXLGBDO-UHFFFAOYSA-N 374.278 4.654 0 50 FJAA COc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 1168361 BRBRCJXVCOLDJM-OOMBGRCJSA-N 355.437 4.931 0 50 FJAA CCCOC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 2091574 GDHFIKSZNMHCEF-UHFFFAOYSA-N 353.201 4.779 0 50 FJAA CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(C)o2)CC1 2828222 GSNXVVPLZCTFGX-UHFFFAOYSA-N 368.521 4.629 0 50 FJAA CCOc1cccc(OCCOCCOc2cccc(Cl)c2Cl)c1 2984033 ZZDFPLQNRAOUSB-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1 3243219 HWTVNBHOJFRFBN-UHFFFAOYSA-N 360.442 4.557 0 50 FJAA COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 12373741 DLROLLGNAWCZEA-GOSISDBHSA-N 369.505 4.818 0 50 FJAA COCCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(C)C 12576685 WNZVPJVQVLLPIF-UHFFFAOYSA-N 356.388 4.526 0 50 FJAA C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 13329879 SQSKBPKDRAKYEG-SECBINFHSA-N 353.205 4.605 0 50 FJAA COc1ccc2ccccc2c1CN1CCN(c2cccc(C)c2C)CC1 19632987 FLGJXLALAKQFQL-UHFFFAOYSA-N 360.501 4.787 0 50 FJAA C1=C(c2ccc3c(c2)CN(Cc2cccnc2)CCO3)Cc2ccccc21 55036077 ZYZOHYNTDOBHCQ-UHFFFAOYSA-N 354.453 4.573 0 50 FJAA O=C(c1ccccn1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71479584 GMIZOTOOIKJHJN-INIZCTEOSA-N 362.395 4.585 0 50 FJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@H]3c3nccs3)[nH]c12 91444459 IZSURSFUKAEQDZ-HNNXBMFYSA-N 353.491 4.917 0 50 FJAA CC(C)COc1cc(F)cc(-c2ncccc2C(=O)N2CCCCC2)c1 97679789 IUYAPDIRRTVMOH-UHFFFAOYSA-N 356.441 4.549 0 50 FJAA O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC[C@@H](N2CCCC2)CC1 150791284 UXIPDZDRAVQEEY-GOSISDBHSA-N 372.509 4.645 0 50 FJAA Cc1ccc(Sc2ccc(CN3CCC[C@H](c4n[nH]c(C)n4)C3)o2)cc1 215581680 LUBBOSQQBYOBCO-INIZCTEOSA-N 368.506 4.545 0 50 FJAA O=C(Cc1c[nH]c2ccccc12)N(CCC(F)(F)F)Cc1ccccc1 241846677 SMSRYOYWWUDEQH-UHFFFAOYSA-N 360.379 4.692 0 50 FJAA O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 252483575 FFKZHYRFVRGHPL-QZTJIDSGSA-N 350.462 4.667 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(-c3nc(C)c(C)s3)c2)on1 299800865 VZPSIVAIAKOKSN-KRWDZBQOSA-N 367.474 4.701 0 50 FJAA Cc1nn(C)c(Cl)c1CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 328594566 VAAUUFQWRQVPQO-HAQNSBGRSA-N 358.700 4.725 0 50 FJAA CC(C)(C)c1cnc(CCC(=O)N2C[C@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)o1 374642879 RJAHTXKYXNVTGN-ZJBJCVSYSA-N 366.505 4.905 0 50 FJAA Cc1nc(N2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)n(C)n1 1704339514 KHZLFTIEIZJLLS-UHFFFAOYSA-N 371.488 4.656 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 631533 VEBJXARNPPZDKS-UHFFFAOYSA-N 363.866 4.709 0 50 FJAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 677707 SKONFNZPZDEYLP-UHFFFAOYSA-N 369.339 4.635 0 50 FJAA COc1ccc(-c2cc(C(=O)Nc3ccccc3O)c3ccccc3n2)cc1 709083 MMTKTMZGLVMTAL-UHFFFAOYSA-N 370.408 4.868 0 50 FJAA COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 1111924 SQWJKQZQPNFGER-UHFFFAOYSA-N 357.262 4.820 0 50 FJAA Cc1ccc(-c2csc3nnc(SCCOc4ccccc4)n23)cc1 1803357 SUSDASYPMCOYOJ-UHFFFAOYSA-N 367.499 4.937 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)c1C 2883087 VFDUVEBWBQVCKS-UHFFFAOYSA-N 367.470 4.780 0 50 FJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCC[C@H](C)C1 5941528 ZDDJWKRUCPUTPF-ZDUSSCGKSA-N 374.531 4.630 0 50 FJAA O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1 12404412 JFBUAAANJPYAHQ-UHFFFAOYSA-N 369.808 4.507 0 50 FJAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1C1CCCCC1 15074370 QSWGTELULQXTEK-FQEVSTJZSA-N 365.477 4.610 0 50 FJAA C[C@H]1CN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 16247784 HJWZZUDNWVQXHL-KDURUIRLSA-N 353.506 4.501 0 50 FJAA Clc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1 19536718 GTTFNFJHRHJVOR-QPJJXVBHSA-N 361.316 4.824 0 50 FJAA Oc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 20604743 LPBWPFSVIAATSY-UHFFFAOYSA-N 373.309 4.951 0 50 FJAA CCn1cc(-c2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc3n2)cn1 63871465 HJRVKCCLHMLSGJ-IYBDPMFKSA-N 362.477 4.521 0 50 FJAA CC(C)c1nc2ccc(NC(=O)NCCc3csc(C(C)C)n3)cc2[nH]1 97679763 BPJXBPBXCISWHP-UHFFFAOYSA-N 371.510 4.630 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@@]4(C)C3=O)cc2)c1C 169687675 YTMFUJMILRNSCU-HUXRQEAXSA-N 373.452 4.797 0 50 FJAA CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N([C@H](C)CCc2ccccc2)C1=O 245253566 HVPIHAPTVNHLJF-BRZWXCIUSA-N 368.565 4.927 0 50 FJAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C12CCCC2 252515866 OFHRAKPDKMYADK-XUWVNRHRSA-N 361.448 4.551 0 50 FJAA FC(F)(F)c1cnc(COc2ccc([C@H]3NCCS3)cc2)c(Cl)c1 263639654 CCMXHWKZDXHGPK-HNNXBMFYSA-N 374.815 4.668 0 50 FJAA Cc1nc([C@H]2CCCOC2)sc1-c1nc(-c2ccc(C(C)C)nc2)no1 366605949 UKTYLUQOLGKQDC-AWEZNQCLSA-N 370.478 4.581 0 50 FJAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100544655 CWMDZJUQFYHYSV-GEEKYZPCSA-N 373.880 4.530 0 50 FJAA CC(=O)N1c2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2C[C@@H]1C 2325823727 BTTIHZKXIYWRHD-LBPRGKRZSA-N 367.449 4.990 0 50 FJAA Cc1ccc([C@@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 729527 OCHGTWOMKYPFEX-YADHBBJMSA-N 361.416 4.978 0 50 FJAA CCC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1 754974 UUUGAUNGAVSWGE-UHFFFAOYSA-N 366.642 4.948 0 50 FJAA Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C 1079228 DZUGXZGHOSOAFF-UHFFFAOYSA-N 351.471 4.699 0 50 FJAA COc1ccccc1C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccccc1 1164583 JYYPMLDTBYAVCH-QFIPXVFZSA-N 360.409 4.785 0 50 FJAA O=C(CCSc1nc2ccccc2o1)Nc1ccccc1C(F)(F)F 1176482 OGGZMTVYDPVCCB-UHFFFAOYSA-N 366.364 4.968 0 50 FJAA O=C(c1ccco1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 1187286 ADTFECBIJLPTKY-IADYWGNCSA-N 362.385 4.902 0 50 FJAA C/C=C/c1ccc(OCCOC(=O)Nc2cccc(CC)c2)c(OC)c1 2167664 XTRSTSDPUWVBJM-QPJJXVBHSA-N 355.434 4.918 0 50 FJAA O=C(Nc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 9007862 HDZVGFAIISBZTL-UHFFFAOYSA-N 354.479 4.650 0 50 FJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 21791052 GQZDQBOXBXFAIE-IBGZPJMESA-N 350.393 4.766 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C 44856369 WPHKZJQKHTZEGG-GOSISDBHSA-N 368.496 4.532 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn(C(C)(C)C)c2)cc1 82125405 ZTCGBUWKDKPKQM-NRFANRHFSA-N 367.537 4.672 0 50 FJAA C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 480086954 BQCNHSPAWNOYGQ-YADARESESA-N 357.501 4.674 0 50 FJAA CN(Cc1cc2ccccc2[nH]1)C(=O)c1cnccc1Oc1ccccc1 1875252090 SSNLWNVXEKGFEL-UHFFFAOYSA-N 357.413 4.627 0 50 FJAA O[C@@H](c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 858235 PBSIFLXJRUCIGN-FQEVSTJZSA-N 366.823 4.959 0 50 FJAA O=C(O)c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1036042 UQIQATUQTRCGCT-UHFFFAOYSA-N 362.225 4.653 0 50 FJAA O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1F 1154956 LUWDPGPOWOACSY-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C 1181085 UWLYNVZKXXSCBT-UHFFFAOYSA-N 370.496 4.933 0 50 FJAA CCOc1ccccc1OCCOCCOc1ccc(Cl)c(C)c1C 2984385 MBHRZWFBFQSSMV-UHFFFAOYSA-N 364.869 4.830 0 50 FJAA COc1ccc(-c2nc(CN(C)C(C3CC3)C3CC3)c(C)o2)c(OC)c1C 12439224 IAZSAHDCOULURS-UHFFFAOYSA-N 370.493 4.596 0 50 FJAA CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 16361798 WVMVYUWKZYGWGR-JKSUJKDBSA-N 365.452 4.742 0 50 FJAA C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 43757773 OXHFKWFVXTYEGN-RCNQDMIQSA-N 374.565 4.514 0 50 FJAA Cc1ccccc1-c1ncc(CN[C@H](C)c2cn3ccsc3n2)s1 65374060 XDRAVNIPAUHQIM-CYBMUJFWSA-N 354.504 4.679 0 50 FJAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(=O)Nc1cc(C)cc(C)c1 239009582 AWIZUGJCTVHBSP-CUDHKJQZSA-N 358.526 4.599 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=C\CC[C@H]32)c1 245297627 VHTCQRPKUANPBY-PELAHVRRSA-N 355.478 4.971 0 50 FJAA CCCC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1cccnc1 299801711 XHBVJGPECGZXIX-QGZVFWFLSA-N 350.384 4.691 0 50 FJAA Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 470587855 MAXBXDSHVGTEKN-IBGZPJMESA-N 367.493 4.527 0 50 FJAA Oc1cccc(C2=CCCN(c3nc(-c4ccccc4F)cs3)C2)c1 1875339288 ZJQXGGLOVQKZHT-UHFFFAOYSA-N 352.434 4.949 0 50 FJAA Cc1cc(C)cc(NC(=N)NCc2cc(Cl)cc(Br)c2)c1 1875356230 LLHPIRZHACXGAQ-UHFFFAOYSA-N 366.690 4.856 0 50 FJAA Cc1cc(OCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc(C)c1Cl 673131 UXCYHTXJTXSNFN-AWEZNQCLSA-N 361.844 4.843 0 50 FJAA CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 1121485 YSIASFSCSPNHGR-OAHLLOKOSA-N 356.491 4.528 0 50 FJAA Fc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 1161426 RNAWSYIFKPNTNL-UHFFFAOYSA-N 370.449 4.959 0 50 FJAA Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3Cl)c2n1 5271654 BGUXLXASNSOOCW-UHFFFAOYSA-N 363.852 4.674 0 50 FJAA Cc1nn2c(NC[C@H]3CCCO3)cc(C(C)(C)C)nc2c1-c1ccccc1 5576916 NYBBLMZEXAANIK-QGZVFWFLSA-N 364.493 4.593 0 50 FJAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc3cnccc23)C1 12579709 XMGCGYXVHCWJRW-KRWDZBQOSA-N 366.411 4.608 0 50 FJAA CC(=O)OC1=C(C)[C@H](c2ccccc2)N(C(C)=O)[C@H](c2ccccc2)[C@H]1C 16425262 ZWGFKDQMUUUAAT-KBJGYGKASA-N 363.457 4.804 0 50 FJAA Cc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)[nH]c2ccc(F)cc12 72432031 MPHPRQMRXVGOSB-UHFFFAOYSA-N 363.392 4.543 0 50 FJAA Cc1ccc(C)n1-c1ncc(OCc2ccccc2)cc1Br 145101029 HCPQBNNCIMQKLM-UHFFFAOYSA-N 357.251 4.831 0 50 FJAA O=C(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 252486121 HHNANNMRBKMVHS-GOSISDBHSA-N 350.805 4.925 0 50 FJAA O=C(CCn1ccc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2[nH]1 252497279 QCVSJQFXJNRTJF-NRFANRHFSA-N 372.472 4.662 0 50 FJAA Cc1cccc2sc(NC(=O)CSc3ccc4ccccc4n3)nc12 334161076 SHKDVMXRVZYIMF-UHFFFAOYSA-N 365.483 4.884 0 50 FJAA C[C@H](CCN(C)C(=O)c1ccc(-c2cc(F)ccc2F)cc1)N1CCCC1 426430974 FULMQULGMKSHTB-MRXNPFEDSA-N 372.459 4.578 0 50 FJAA CCOCc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 440417739 FBGJORVUVQSXJV-UHFFFAOYSA-N 371.440 4.814 0 50 FJAA CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)C(C)C)c2ccccc21 855964 NZUKXTSTQIFSJP-IERDGZPVSA-N 350.462 4.562 0 50 FJAA CC(=O)[C@H](C(=O)Nc1ccccc1)C1c2ccccc2Oc2ccccc21 1060997 SDRARVMWUKJYRE-NRFANRHFSA-N 357.409 4.768 0 50 FJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 1115341 JDBZZWYEJFIWBL-JTQLQIEISA-N 354.631 4.509 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 1205523 LPTRWNGWDJDMKI-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)Nc1cccc(Cl)c1 2760166 RKOOCIDQLVQBHF-UHFFFAOYSA-N 354.841 4.846 0 50 FJAA COC(=O)c1cn(C(=O)[C@H](C)Sc2ccc(C)cc2)c2ccccc12 2881399 XENNIJVXUZDBTO-AWEZNQCLSA-N 353.443 4.557 0 50 FJAA CC(C)(C)n1cc(C(=O)c2ccc3ccccc3c2OCCCF)cn1 6262777 KSKJZGHQPSBEKA-UHFFFAOYSA-N 354.425 4.761 0 50 FJAA Cc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccn2)o1 8586615 NMJUSVCHRRIAOF-UHFFFAOYSA-N 370.836 4.557 0 50 FJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccccc1F 13331511 WTDYUKRJFCWXSO-UHFFFAOYSA-N 372.831 4.985 0 50 FJAA CSC[C@@H](C)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 14950375 ZBNZJOSZOJNKES-CYBMUJFWSA-N 372.937 4.661 0 50 FJAA C[C@H]1Cc2ccccc2N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 15023014 YNTDVDRZBUZHJM-PGRDOPGGSA-N 359.469 4.545 0 50 FJAA O=C(NC1CCCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 20136966 JENGUUDAHAOGLC-UHFFFAOYSA-N 362.517 4.698 0 50 FJAA COc1ccc2cc([C@@H]3CN(c4nccc5occc45)CCO3)ccc2c1 71730333 JKHVNRWGBXEWRZ-NRFANRHFSA-N 360.413 4.568 0 50 FJAA Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(C(F)(F)F)cn1 225431370 JOMJKNPAWKEPFZ-UHFFFAOYSA-N 357.335 4.723 0 50 FJAA Cc1nc(C)c(-c2cccc(C(=O)N(Cc3ccccn3)C3CC3)c2)s1 426635746 YOLANTWRIHDHAM-UHFFFAOYSA-N 363.486 4.627 0 50 FJAA COc1cccc(CN(C(=O)N[C@@H](C)c2ccc(C)cc2C)C2CC2)c1 534662645 GKZBELYVAAPNKY-KRWDZBQOSA-N 352.478 4.747 0 50 FJAA O=C(c1ccc(F)c2ccccc12)N1CCC[C@@H]1C[C@H](O)c1cccs1 797736840 HNCAAEDOANAKIF-KUHUBIRLSA-N 369.461 4.769 0 50 FJAA COc1ccc(NC(=O)N2CCCC[C@@H]2CCc2cccs2)c(OC)c1 824576104 OSCNQUACJTXDPT-OAHLLOKOSA-N 374.506 4.785 0 50 FJAA C[C@H](NCc1ccc(-c2ccccn2)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952965481 SAHZHGGWQUYUHC-PVUAYWKYSA-N 362.517 4.558 0 50 FJAA CCCc1csc(NC(=O)c2cnn(CC(C)C)c2-c2ccccc2)n1 1358176534 FMCNEYGMYXMBBZ-UHFFFAOYSA-N 368.506 4.867 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCc1ccc(C(C)C)cc1)C2 1704306247 UADSVCYYWFRWSM-FYYLOGMGSA-N 357.538 4.940 0 50 FJAA Cc1cc(-c2ccccc2)ccc1-c1cncc(N(C)[C@@H]2CCCNCC2)n1 2325829500 LBMZPPUJDMELHY-OAQYLSRUSA-N 372.516 4.697 0 50 FJAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)C1(c2ccccc2)CCCC1 2325841580 AFZZYYXCSUSFPO-SFTDATJTSA-N 351.534 4.636 0 50 FJAA Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 633954 BFQKOOUXEDUCTH-CVEARBPZSA-N 363.223 4.870 0 50 FJAA O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1c1ccc(Cl)cc1 985521 DSXCTUFWUWOYDH-LJQANCHMSA-N 350.805 4.817 0 50 FJAA CCC(CC)C(=O)Nc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 1049045 WUDJIUADVSRNOK-KRWDZBQOSA-N 366.505 4.812 0 50 FJAA COc1ccc(OC)c(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1 2526076 KJMXLJAJNHCRNO-UHFFFAOYSA-N 357.793 4.579 0 50 FJAA Cc1ccc2cccc(OCCOCCOc3ccc(Cl)cc3C)c2n1 13285151 KGXVOKYNVUWJJB-UHFFFAOYSA-N 371.864 4.979 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)on1 47266778 MXFOQNPBMQYKAX-OAHLLOKOSA-N 356.809 4.874 0 50 FJAA Cc1cccnc1CN(Cc1cnc2c(-c3ccccc3)cnn2c1)C(C)C 67878112 GPKLRKIQVJDYGQ-UHFFFAOYSA-N 371.488 4.510 0 50 FJAA Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2nc3c(s2)COCC3)c1 170630705 CKPKIGZQDFJLFY-KRWDZBQOSA-N 371.506 4.673 0 50 FJAA c1ccc(Cn2cc(N[C@H]3CCCOc4c3ccc3ccccc43)cn2)nc1 253393740 HBXNPFBDDQCLDH-QFIPXVFZSA-N 370.456 4.805 0 50 FJAA Cc1ncn(-c2ccc(NCc3c(F)cccc3N3CCCC3)cc2)c1C 463044755 SAGDBWNEDOBVSL-UHFFFAOYSA-N 364.468 4.841 0 50 FJAA COc1ccc(F)c(F)c1C(=O)N1CCCC[C@H]1CCc1cccs1 952964041 LSIHMXGHGIABCN-ZDUSSCGKSA-N 365.445 4.662 0 50 FJAA C[C@H](Cc1cncc2ccccc12)C(=O)NC[C@H]1C[C@@H](c2ccccc2)C1 2325757720 XKIOICAEEVFQJV-OPYAIIAOSA-N 358.485 4.723 0 50 FJAA COc1ccccc1NC(=O)C[C@H](c1ccccc1)c1ccc(C)cc1O 985730 FRSIJISYFVLZLA-LJQANCHMSA-N 361.441 4.870 0 50 FJAA Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)c2C(N)=O)c1 1113652 KPGKROSDQLDYFX-UHFFFAOYSA-N 368.458 4.593 0 50 FJAA Cc1cc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2cc1C 1181013 ZUVNLOCVXZEVBO-UHFFFAOYSA-N 363.845 4.703 0 50 FJAA CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 2859077 MMSPFKXULCHQHV-UHFFFAOYSA-N 353.205 4.814 0 50 FJAA CCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 3002642 RGROHFIMACYUHL-CQSZACIVSA-N 370.518 4.573 0 50 FJAA 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 4097188 GPLGAQQQNWMVMM-MYAJQUOBSA-N 356.598 4.810 0 50 FJAA biogenic,in-man Cc1c([C@H](C)NCc2cccc(O)c2)cnn1-c1cccc2ccccc12 12468412 DEPZZGYRLLWCHC-INIZCTEOSA-N 357.457 4.890 0 50 FJAA CCOc1ccc(CCCC(=O)N(C)[C@H](C)Cc2cc(C)ccn2)cc1C 55359953 UMLBWCKNZFMVOP-LJQANCHMSA-N 368.521 4.509 0 50 FJAA C[C@H](N[C@H]1CC[C@@H](C)C1)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 239358441 NIBCJWVKZSSXQR-RKWOEDRJSA-N 371.996 6.345 0 50 FJAA Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccn4)=NN23)c1 328599891 UHIXRERJWJOJQC-CTNGQTDRSA-N 361.832 4.977 0 50 FJAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3ncccc3c2)cc1 426489687 RPBHCDVVJXULSV-QFIPXVFZSA-N 374.484 4.933 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2cccc3cccnc23)cc1C 822815918 GVPWHUZWTZQQOZ-UHFFFAOYSA-N 361.445 4.924 0 50 FJAA CCc1cccc(CN2CCC[C@H](NC(=O)CC3(C)CCCC3)[C@@H]2C)c1 1875406972 QGCVPXVAPSCRHV-RXVVDRJESA-N 356.554 4.689 0 50 FJAA Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](C1CCC1)C(F)(F)F 2325828979 XFJMMFQVSMSPIO-HNNXBMFYSA-N 356.775 4.657 0 50 FJAA CC(=O)Nc1cccc(NC(=O)c2sc3cccc(F)c3c2Cl)c1 1053583 RPSHJTKHQMRRFL-UHFFFAOYSA-N 362.813 4.905 0 50 FJAA Cc1ccc(NC(=O)CSc2ccc(Nc3ccc(C)cc3)nn2)cc1 1094366 BBANLLRLLMLVIT-UHFFFAOYSA-N 364.474 4.568 0 50 FJAA CC(C)[C@H]1Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CO1 1122977 SYVPSJMZMJHMCV-CQSZACIVSA-N 371.531 4.663 0 50 FJAA Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1 1489490 IBAKVEUZKHOWNG-UHFFFAOYSA-N 356.429 4.659 0 50 FJAA in-vitro CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2071322 XPNVOBZNQCYYBK-UHFFFAOYSA-N 374.509 4.989 0 50 FJAA biogenic Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 2342901 SNSTWVPIOYXNPJ-UHFFFAOYSA-N 358.854 4.735 0 50 FJAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 2848213 LKMZMLCJHBPDNL-JTQLQIEISA-N 373.758 4.773 0 50 FJAA CCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 3005174 KXAFSWAHVZMXGW-UHFFFAOYSA-N 371.440 4.810 0 50 FJAA Cc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C3CCCCC3)n2)cc1 4512700 PENRXDKXJZUDIM-UHFFFAOYSA-N 355.482 4.752 0 50 FJAA CC(=O)N[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)O 4534076 XTURYZYJYQRJDO-DZIKFAHUSA-N 367.555 4.728 0 50 FJAA in-vitro O=C(CSCc1ccc(Br)cc1)NC1CCCCCC1 4828418 NPTYBNVDZXLOHO-UHFFFAOYSA-N 356.329 4.521 0 50 FJAA COc1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 5072981 XZYXABUJEHKALY-UHFFFAOYSA-N 356.447 4.592 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccccc3Cl)n2)cc1 13330848 GLHRPULVQCDBAX-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA CCc1nc(C)c(CN2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)[nH]1 14981946 WTUXVLVPCIGHQB-FQEVSTJZSA-N 367.518 4.786 0 50 FJAA O=C(C1CCCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67818039 FNLUWJGBHUFHDC-UHFFFAOYSA-N 371.864 4.624 0 50 FJAA CN(Cc1cc(-c2ccncc2)no1)Cc1ccc([C@@H]2CCCCO2)s1 72137336 KFEDJJDLOAMQAY-IBGZPJMESA-N 369.490 4.672 0 50 FJAA COc1ccc(-c2cccc(C(=O)N(C)Cc3cc(C)cc(C)n3)c2)c(C)c1 426580756 LEAIXNXULPDTIS-UHFFFAOYSA-N 374.484 4.955 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 629811 UWSXIKJRTFIXOI-UHFFFAOYSA-N 367.445 4.502 0 50 FJAA COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(OC)cc1Cl 851389 FJYQYBHGUFENFT-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(Br)c1 994049 LSTCFXGFFHNHIC-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1Cl 1128605 GHONHJARAOFNSI-UHFFFAOYSA-N 358.869 4.981 0 50 FJAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 1131276 RUSOYIPXLZXXQL-HOTGVXAUSA-N 370.518 4.643 0 50 FJAA COc1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1OC 1140897 MORRQQAYVQXKNL-UHFFFAOYSA-N 351.189 4.728 0 50 FJAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 1148724 JCQFXIXRBLOJSM-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1ccc(O)c([C@@H](CC(=O)N[C@H](C)Cc2ccccc2)c2ccccc2)c1 1161788 SJWBLBROXZZCCA-KNQAVFIVSA-N 373.496 4.970 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cnc(Cl)s1 1394675 UNUCWDYODOCEEE-UHFFFAOYSA-N 369.229 4.770 0 50 FJAA O=c1c2ccccc2ncn1CCCCOc1ccccc1-c1ccccc1 3001072 FNHJGEZBXCQXIS-UHFFFAOYSA-N 370.452 4.923 0 50 FJAA S=C1NC(C23CC4CC(CC(C4)C2)C3)=C[C@@H](c2ccc(Cl)cc2)N1 4670998 VVIROQZSAINOAX-UTNBAMHJSA-N 358.938 4.959 0 50 FJAA CN(C)CC[C@]1(c2ccc(Cl)cc2)Cc2cc(Cl)ccc2C(=O)O1 4760005 YZUWAALSXOFHTI-LJQANCHMSA-N 364.272 4.554 0 50 FJAA Cc1c(O)ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc12 6765448 MKQLWOWZLSXYKK-UHFFFAOYSA-N 354.255 4.757 0 50 FJAA Cc1ccc2c(C)c(C(=O)NCc3nc4ccccc4s3)oc2c1C 11951787 TZRWXHDGFVRREN-UHFFFAOYSA-N 350.443 4.898 0 50 FJAA CC(C)CC(=O)[C@@H]1CCCN(c2nncc(-c3cccc4ccccc34)n2)C1 15063737 JYNISKBTRUMRPX-GOSISDBHSA-N 374.488 4.523 0 50 FJAA CN(Cc1nc(Cc2ccccc2F)no1)Cc1cc2ccccc2s1 19228970 WOMQCHOLKBPDKH-UHFFFAOYSA-N 367.449 4.646 0 50 FJAA C=C[C@](C)(C[C@@H](OCOC)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C)C(=O)CC 43762529 XPNSIXPLFJYLIN-PYYHNFOQSA-N 362.510 4.633 0 50 FJAA Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1[C@@H]1CCNC1 65455008 HBUBDKJTLFRNIH-LJQANCHMSA-N 370.456 4.715 0 50 FJAA CN(Cc1cccc2cnccc12)C(=O)c1ccc(-c2ccc(O)cc2)cc1 77505915 RHQNSUGFHPPTIZ-UHFFFAOYSA-N 368.436 4.880 0 50 FJAA Cc1ccccc1-c1cccc(CNC[C@H]2CC(=O)Nc3ccccc32)c1 237720132 KEAQSNCZWNXJQN-HXUWFJFHSA-N 356.469 4.878 0 50 FJAA CN(Cc1ccccc1F)C(=O)c1ccc(CSc2ccccn2)cc1 952991429 PGTLEORWPKEQGP-UHFFFAOYSA-N 366.461 4.785 0 50 FJAA O=C(OCc1nc2c(F)cccc2o1)[C@@H]1CCC[C@H]1Cc1ccccc1 1875342996 BYHLDWNVTYYCPP-JKSUJKDBSA-N 353.393 4.669 0 50 FJAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 710856 ZAVKCIXABGKYNY-UHFFFAOYSA-N 368.296 4.547 0 50 FJAA CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCCC2)cc1 784096 PJKYIDMIQHJUAB-NRFANRHFSA-N 363.461 4.544 0 50 FJAA O=C1S[C@@H](Nc2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 1218952 VYYLWIDWTMQORS-LJQANCHMSA-N 360.438 4.992 0 50 FJAA COC(=O)c1ccccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 2857072 BHCHVRFORRESQR-UHFFFAOYSA-N 362.385 4.910 0 50 FJAA Cc1ccc(C(C)C)c(OCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 4381142 LQDRGIKOQSTTLT-UHFFFAOYSA-N 355.522 4.830 0 50 FJAA CCCCOc1ccc(CN2CCN(c3ccccc3OCC)CC2)cc1 4980498 SSALAKQTIQWDHG-UHFFFAOYSA-N 368.521 4.586 0 50 FJAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 12191936 UTKRXVLAJDCBIT-OAHLLOKOSA-N 364.272 4.794 0 50 FJAA C[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O 13550018 BDNYCYNGFJHZGR-VIFPVBQESA-N 363.642 4.930 0 50 FJAA COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4)n3)cc2c1 17139017 MMOMBQKODJFISK-UHFFFAOYSA-N 350.399 4.669 0 50 FJAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c1 20109518 ABJVRBVFEIQNDN-OAHLLOKOSA-N 371.406 4.874 0 50 FJAA Cc1ccc2c(C)c(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)oc2c1C 20652674 IVEUNYXHLPUMEY-KRWDZBQOSA-N 362.351 4.786 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36621109 CSJDNDKQXNMIFF-SFHVURJKSA-N 372.852 4.886 0 50 FJAA O=C(c1ccc(CSc2ccccc2)o1)N(Cc1ccncc1)C1CC1 47630282 LOFGUBHULNNIAV-UHFFFAOYSA-N 364.470 4.772 0 50 FJAA O=C(c1ccc(-c2cccnc2)nc1)N1CCC(CCc2ccccc2)CC1 71416031 VGEOMSRGENVQHZ-UHFFFAOYSA-N 371.484 4.629 0 50 FJAA Cc1ncc(C(=O)N2CCCCC[C@@H]2c2ccco2)c(-c2ccccc2)n1 82138403 HNEBTVLKCYLCQG-LJQANCHMSA-N 361.445 4.803 0 50 FJAA CC(=O)N1CCc2cccc(NCc3ccc(-c4ccc(F)cc4C)o3)c21 159167086 AQNMMIXJXDBILB-UHFFFAOYSA-N 364.420 4.915 0 50 FJAA C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)c1csc(-c2ccccn2)n1 176695795 SYSRMGWYRXWKAJ-QWHCGFSZSA-N 367.499 4.735 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 239425653 UXVYGIBJGVASFV-GMAHTHKFSA-N 358.416 5.376 0 50 FJAA Cc1cc(C)n(Cc2ccc(-c3cccc([C@@H](C)N4CCCC4)c3)nc2)n1 426641457 GLYYIUKQUJMURY-LJQANCHMSA-N 360.505 4.767 0 50 FJAA O=C(NCc1ccc(-c2ccncc2)cc1)NCc1ccc(C2CC2)cc1 479326098 ULZMMJCEUCGMST-UHFFFAOYSA-N 357.457 4.625 0 50 FJAA c1csc(CN(c2nc(-c3ccncc3)nc3ccccc23)C2CC2)c1 733186962 MCOBQFVZQXDNAL-UHFFFAOYSA-N 358.470 4.922 0 50 FJAA COc1cccc2ccc(CN3C[C@H](C4CC4)O[C@H](c4ccccc4)C3)nc12 1529197032 JZGKWMDRSPZRLH-XZOQPEGZSA-N 374.484 4.596 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCCC2 1081676 HSOUTQCPRNCUNC-UHFFFAOYSA-N 357.475 4.754 0 50 FJAA CCOc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 1210438 NOPDWXLSYPWYJN-WQRHYEAKSA-N 364.426 4.808 0 50 FJAA CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(C)cc3)ccc12 2857654 BKLGBZVFOQAYBE-UHFFFAOYSA-N 350.414 4.706 0 50 FJAA Cc1ccc(C(=O)N[C@@H]2Sc3ccccc3N=C2c2ccccc2)cc1 4187458 WLVIAWFHUWOFNK-JOCHJYFZSA-N 358.466 4.978 0 50 FJAA C/C=C(\C)CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 12320488 AMDLWSWKFAGPFB-UZTGNQCKSA-N 365.477 4.633 0 50 FJAA COC1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 12458644 BLYKRPHJVABEAX-UHFFFAOYSA-N 367.537 4.746 0 50 FJAA Cc1cc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)ccc2o1 91966223 COTNJJLZURRGIV-IBGZPJMESA-N 359.429 4.985 0 50 FJAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc(C(F)(F)F)ccc1Cl 215050631 AUKNRLSROKYNRV-JTQLQIEISA-N 359.779 4.532 0 50 FJAA Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCCC(C)(C)C1 240471651 GDMAOCSLPHHAMD-UHFFFAOYSA-N 354.454 4.576 0 50 FJAA CSc1cccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)c1 299772993 BLSXBSKDRXJZPL-UHFFFAOYSA-N 369.534 4.668 0 50 FJAA C[C@@H](NC(=O)CC(C)(C)C)c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1875262831 PBGSAGFSCXJDEI-OAHLLOKOSA-N 358.526 4.625 0 50 FJAA O=C(C[C@@H]1CNc2ccccc21)NCc1cccc(Oc2ccccc2)c1 1875332686 FEVPKZFISGWJAO-GOSISDBHSA-N 358.441 4.695 0 50 FJAA O=C(CC1CC(F)(F)C1)N1CCC(c2ccccc2)(C(F)(F)F)CC1 2325792963 YKXJHMGEXGMDEJ-UHFFFAOYSA-N 361.354 4.545 0 50 FJAA COc1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OC 1063681 ZKHJDTKOUDJEAA-OAHLLOKOSA-N 371.477 4.653 0 50 FJAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C)cc1C 1180073 GYFQWCNXRGFTEB-UHFFFAOYSA-N 364.470 4.592 0 50 FJAA Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1216761 ZOIONUTZGLKCEZ-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@@H]1CCCCN1 1729526 VKLJPGAHSLIQKH-PZJWPPBQSA-N 352.865 4.731 0 50 FJAA in-vitro Cc1cc(OCCOCCOc2cccc3cccnc23)ccc1Cl 2985710 XODXDPNAXXMRJY-UHFFFAOYSA-N 357.837 4.671 0 50 FJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4163129 PXLOOYFRPQPLNL-ZWKOTPCHSA-N 373.836 4.962 0 50 FJAA CCOc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19842270 FUAUZYKWAFZQPD-UHFFFAOYSA-N 360.501 4.556 0 50 FJAA O[C@H](Cn1ccnc1-c1ccc(-c2ccccc2Cl)o1)c1cccnc1 67843152 IZAWKGBVWLDNAP-QGZVFWFLSA-N 365.820 4.592 0 50 FJAA COc1cccc([C@H]2CCCN2C(=O)c2cc(C)nc3ccc(C)cc23)c1 77287208 FSGDXMBUXITMRC-JOCHJYFZSA-N 360.457 4.838 0 50 FJAA Cc1cc(C)c2oc(NC(=O)Cc3nc(-c4ccccc4)oc3C)nc2c1 170652533 KTCUFLKAGREDOR-UHFFFAOYSA-N 361.401 4.589 0 50 FJAA Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@@H]1CCN2CCCC[C@H]12 462870066 YSEOOMHSDYMMNT-QZTJIDSGSA-N 357.885 4.550 0 50 FJAA COc1cncc(CNCc2ccc(Oc3ccc(F)cc3)cc2)c1C 1473918107 GMMUKHZEAHYCDD-UHFFFAOYSA-N 352.409 4.620 0 50 FJAA c1ccc([C@@H]2CN(CCCOC[C@@H]3CCCCO3)Cc3ccccc32)cc1 1875259819 VDEATESWLKGUBL-UPVQGACJSA-N 365.517 4.610 0 50 FJAA Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H]3CC[C@H]3C3CC3)cccc2c1=O 2325748163 XMODSWLUTWFHIL-PXNSSMCTSA-N 373.452 4.687 0 50 FJAA O=c1c2ccccc2c(-c2ccccc2)nn1Cc1c(F)cccc1Cl 1069438 KGTMEMXDUNXVSY-UHFFFAOYSA-N 364.807 4.904 0 50 FJAA CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1211202 GSBBQYSSZJGMRF-UHFFFAOYSA-N 371.396 4.706 0 50 FJAA CC(=O)[C@H](C)Oc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 1397895 RWNVSZYSWZEDAQ-JTQLQIEISA-N 359.731 4.902 0 50 FJAA COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccc(F)cc2)n1 2413587 AHARDRFGEPRLRC-UHFFFAOYSA-N 361.376 4.922 0 50 FJAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2ccccc2C)c1 12586736 UMKQTCIRAWVHTD-JOCHJYFZSA-N 373.500 4.534 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)c2cccc(NCc3sccc3C)c2)nc1 65527772 BTAFCABQRJHPNZ-MRXNPFEDSA-N 365.502 4.863 0 50 FJAA Cc1cccc(Cl)c1NC(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 82120897 UIUBAZNQTWHRQD-INIZCTEOSA-N 372.900 4.666 0 50 FJAA COc1ccc(-c2nc(Cl)nc3ccc(Cl)cc23)c(OC)c1OC 170619471 NQWKJWZYYAWJBR-UHFFFAOYSA-N 365.216 4.629 0 50 FJAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCC[C@@H]21 1857697727 KEWFBRXHEHEIAV-FHWLQOOXSA-N 354.519 4.807 0 50 FJAA O=C(O)c1cnccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 945304 LQENVHMXETWVDQ-UHFFFAOYSA-N 373.437 4.988 0 50 FJAA O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(Cl)c(Cl)c1 1041613 DUDNOYSNZTWVSV-RIYZIHGNSA-N 352.604 4.991 0 50 FJAA O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1116591 OOHQNWDGUWSYFR-UHFFFAOYSA-N 366.269 4.625 0 50 FJAA CCOc1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 1120444 FNWAUELTPPZOIR-UHFFFAOYSA-N 356.756 4.984 0 50 FJAA CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 1481744 ZZJYIKPMDIWRSN-TZBSWOFLSA-N 361.529 4.845 0 50 FJAA in-man CCCCCN(CCCCC)C(=O)NC(C(F)(F)F)C(F)(F)F 4965068 PPIWAXZJECLDBB-UHFFFAOYSA-N 350.347 4.872 0 50 FJAA biogenic COc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(C=O)cc2)cc1 5091795 MZDSEIRRZDSIKG-HXUWFJFHSA-N 362.454 4.925 0 50 FJAA aggregator Cc1cc(SCC(=O)c2ccccc2)n2ncc(-c3ccccc3)c2n1 5518198 DQASJNKQROFLIM-UHFFFAOYSA-N 359.454 4.680 0 50 FJAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 12320901 CHTGWENLARBXAB-GOSISDBHSA-N 360.933 4.582 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3cccc4cnccc34)c2C)cc1 12480552 VCVWDVOYQVEBOQ-MRXNPFEDSA-N 372.472 4.588 0 50 FJAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1 13956565 JRYVYNXXUHNTPO-UHFFFAOYSA-N 365.260 4.728 0 50 FJAA O=S(=O)(Cc1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl 15323619 BLOMCQQCBMOQLR-UHFFFAOYSA-N 351.638 4.556 0 50 FJAA in-vitro Cc1ccccc1-c1ncc(CNCc2ccc3c(c2)OCCCO3)s1 65397570 AUIPNYOFMJZDTR-UHFFFAOYSA-N 366.486 4.570 0 50 FJAA Cc1ccc([C@H](C)NC(=O)c2cccc(NCc3sccc3C)c2)nc1 65527775 BTAFCABQRJHPNZ-INIZCTEOSA-N 365.502 4.863 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC[C@@H]3c3ccccn3)c2c1 95508982 CXJOXZGOQDLVEE-OAQYLSRUSA-N 359.473 4.922 0 50 FJAA COc1cccc2ccc(N3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)nc12 96148579 MCHZLWAEXRYPSK-MRXNPFEDSA-N 372.472 4.579 0 50 FJAA COc1ccc(Cn2nc(C3CC3)nc2-c2c(F)cccc2Cl)cc1 97742984 IMMWJVJTZUSXPE-UHFFFAOYSA-N 357.816 4.672 0 50 FJAA Cc1nc2ccc(F)cc2c(OCc2csc([C@@H]3CCCO3)n2)c1C 170603538 RFEHTXQKNVCWSJ-KRWDZBQOSA-N 358.438 4.878 0 50 FJAA CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cn3)C2)n1 175881428 JJPCOTHZIJMTOB-GFCCVEGCSA-N 364.902 4.726 0 50 FJAA COc1ccc(Cl)c(NC(=O)CSc2ccc3ccccc3n2)c1 334160482 FRDYOFHULJCHRD-UHFFFAOYSA-N 358.850 4.628 0 50 FJAA COc1ccc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 465372581 CFMJWFJWATUZQT-UHFFFAOYSA-N 363.379 4.734 0 50 FJAA CC(C)c1ccc(-c2ccc(C(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2)nn1 534646601 ACMWNCWFQRMWNZ-LSTHTHJFSA-N 361.489 4.599 0 50 FJAA O=C(OCc1nc2ccccc2n1C(F)F)[C@@H]1CCSc2ccccc21 741891408 DCZFMADJEZCCOM-CYBMUJFWSA-N 374.412 4.754 0 50 FJAA Cc1ccccc1C[C@H](CO)CN[C@@H](CCC(C)C)c1cnccc1C 2325842090 NZHAXZZMEVSPOQ-REWPJTCUSA-N 354.538 4.617 0 50 FJAA Cc1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 729526 OCHGTWOMKYPFEX-VXKWHMMOSA-N 361.416 4.978 0 50 FJAA CCc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 1068854 RSQNTNMNVXGCOZ-UHFFFAOYSA-N 374.440 4.762 0 50 FJAA Cc1ccccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1167295 HTGBYUGLEHEDPQ-UHFFFAOYSA-N 355.397 4.964 0 50 FJAA CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1 1204552 HMHNQPGARDBDIY-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccn1 2522399 KFHAERJJEAWKGY-UHFFFAOYSA-N 365.289 4.959 0 50 FJAA O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cccs2)ccc1Cl 2977947 SKLMWDXHOVXJHZ-UHFFFAOYSA-N 370.861 4.835 0 50 FJAA COc1ccc(/C=C\c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 38167566 RZHQXFXLIKOEAO-SSZFMOIBSA-N 369.424 4.819 0 50 FJAA CC1(C)C[C@@H]1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67714178 BEANMXLKOZDRHN-OAHLLOKOSA-N 364.367 4.555 0 50 FJAA COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cccc(F)c3)cc2c1 77323697 FTDGWDICPDIZIM-FQEVSTJZSA-N 352.409 4.683 0 50 FJAA CCCc1nc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cs1 91624886 VBROZPXHCMWCQB-HNNXBMFYSA-N 374.897 4.603 0 50 FJAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C)cc1 100559541 HUWHMIJHFUTKCV-DOMZBBRYSA-N 362.256 4.670 0 50 FJAA CCc1c(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)[nH]c(C)c1C(C)=O 170634374 VIOIOVNYPOXNJD-KRWDZBQOSA-N 356.466 4.747 0 50 FJAA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 239433995 YWCQKKGLXGBROQ-NRAVZPKASA-N 356.422 4.568 0 50 FJAA COc1cc(OC)c(OC)cc1N[C@H](C)c1cccc(C(F)(F)F)c1 777700679 BUQCHODZSKLMSJ-LLVKDONJSA-N 355.356 4.904 0 50 FJAA O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1noc(C2CCC2)n1 859607562 NNOPQSWGPKVROI-UHFFFAOYSA-N 362.385 4.522 0 50 FJAA Cc1ccccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 1776029251 NJYJBYPNDWNZAH-UHFFFAOYSA-N 366.388 4.844 0 50 FJAA CN(C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1)C1CCC1 1875260524 IINVTAZIVMBOJD-UHFFFAOYSA-N 373.428 4.504 0 50 FJAA CC[C@@](C)(NC(=O)c1ccc(C(F)(F)F)cc1OC)c1nc(C)cs1 2325709123 ATVJZCXXNTYXPB-MRXNPFEDSA-N 372.412 4.534 0 50 FJAA COc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1 778064 ULTMCMVKWVPNLJ-UHFFFAOYSA-N 356.429 4.622 0 50 FJAA Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(F)cc3)c(N)c12 803976 IJVQAOHDUMGRHU-UHFFFAOYSA-N 369.343 4.597 0 50 FJAA COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O 855640 LCLGHPLLJWGEMX-OAHLLOKOSA-N 353.805 4.682 0 50 FJAA CN(C)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 1119817 HVNJNSQCCRGXJG-QFIPXVFZSA-N 359.425 4.534 0 50 FJAA Cc1cc(C)cc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 1144183 PUBJKAPZUZONBW-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2c(c1)OCCO2 1205079 BFIGXZHVCCSWPM-UHFFFAOYSA-N 372.380 4.518 0 50 FJAA O=C(Nc1nccs1)c1sc2cccc(OC(F)F)c2c1Cl 2782902 LMNRSCFHGAKFCE-UHFFFAOYSA-N 360.794 4.865 0 50 FJAA COc1cccc2cc(-c3csc(NC4CCCCC4)n3)c(=O)oc12 3911139 PLNGOOCXUPTCQE-UHFFFAOYSA-N 356.447 4.670 0 50 FJAA CC(C)(CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 4418497 VJXKDSOOBCYQHN-UHFFFAOYSA-N 369.892 4.933 0 50 FJAA Cc1ccc(NC(=O)N2CCCC[C@@H]2C)c(NC(=O)N2CCCC[C@@H]2C)c1 4776125 QRFCWAJRAAZCNU-IRXDYDNUSA-N 372.513 4.808 0 50 FJAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccsc2)C1 12028796 BCNMNIXIOFVLBE-CYBMUJFWSA-N 367.392 4.502 0 50 FJAA c1ccc2[nH]c(CSCCSCc3nc4ccccc4[nH]3)nc2c1 13231257 RGXJWPYQMJXZIT-UHFFFAOYSA-N 354.504 4.606 0 50 FJAA COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 13331376 LSRBKJSYUBMXMR-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c(OC)c1 14911220 OJNQKAQKRSBRJL-UHFFFAOYSA-N 372.421 4.527 0 50 FJAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCCCCC4)C3)C2)c1 15063389 GUWMJHBVDHRTEW-XMMPIXPASA-N 368.565 4.780 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)cc1 20205269 IOMXYWZPNVIDCH-MRXNPFEDSA-N 371.406 4.874 0 50 FJAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(C)c(C)c3)nc21 20603055 OCXJORPSIOKTMZ-UHFFFAOYSA-N 373.403 4.524 0 50 FJAA COc1ccc(COc2ccc(C[C@H](C)C(=O)O)cc2Cl)cc1Cl 45068592 OTFUWWMLGHYHPJ-NSHDSACASA-N 369.244 4.844 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 55542998 OVRCQASKWGSHLA-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2cc3ccccc3[nH]2)[nH]n1 67714427 SCTWGXIPKZADQD-UHFFFAOYSA-N 353.429 4.778 0 50 FJAA CC(C)c1cc(C2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)n[nH]1 67804105 PSPWMLIZTUJKGU-HXUWFJFHSA-N 357.498 4.747 0 50 FJAA Cc1cccc2cc(CN(C)Cc3ccncn3)c(-c3cccs3)nc12 72454710 FVIHGCLGHVKOIT-UHFFFAOYSA-N 360.486 4.694 0 50 FJAA CCCCCn1nc(C(=O)Oc2cccc3cccnc23)c2ccccc21 97758835 UWICFJAXLKCHTQ-UHFFFAOYSA-N 359.429 4.994 0 50 FJAA in-vitro C[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1nnnn1C1CCCCC1 189658718 STEXZRATPWGHHX-AUUYWEPGSA-N 357.477 4.509 0 50 FJAA Cc1nc(CCCC(=O)N2CC3(CCCC3)c3cccc(F)c32)cs1 225463001 PQBGUVDNESNHMW-UHFFFAOYSA-N 358.482 4.772 0 50 FJAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)c(C)c3)CC2=O)c(C)c1 1857799530 IULQBXKMFQQLOP-SFHVURJKSA-N 364.489 4.727 0 50 FJAA CCCN1Cc2cccc(NC(=O)c3ccc(-n4cccc4)cc3C)c2C1 2325720746 LBCZZCDROPOJFL-UHFFFAOYSA-N 359.473 4.764 0 50 FJAA C[C@@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 631070 NYFJULIQPSPMGS-QZTJIDSGSA-N 372.468 4.669 0 50 FJAA COc1ccc(OCC(=O)N2c3ccccc3CCc3ccccc32)cc1 869153 KEMNHPIDMQBSLO-UHFFFAOYSA-N 359.425 4.538 0 50 FJAA Cc1cc(Br)ccc1OCC(=O)Nc1cccc2ccccc12 1159658 NBEXDDBZBOVOFN-UHFFFAOYSA-N 370.246 4.928 0 50 FJAA O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 1192537 RXFZGSWNLNRQCP-UHFFFAOYSA-N 350.230 4.764 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 1210278 ZHOYTYCKBNEAQR-UHFFFAOYSA-N 374.396 4.851 0 50 FJAA COc1cc(CNc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 4981383 XUIMOHXTNRMOHL-UHFFFAOYSA-N 363.413 4.615 0 50 FJAA Cc1cccc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 11821049 PFXZMWWSACIWJI-IBGZPJMESA-N 350.506 4.782 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3ccc(SC)cc3)c2C)cc1 15068471 VSGKVWWOJDQQHQ-HNNXBMFYSA-N 367.518 4.762 0 50 FJAA CC[C@H](NC(=O)c1cccc(NCc2ccccn2)c1C)c1ccccc1 65396470 WLQPIZXDQQSKDY-NRFANRHFSA-N 359.473 4.883 0 50 FJAA OCc1ccc(-c2c(-c3ccccc3)ncn2CCCc2ccccc2O)o1 65423520 LJEQFDLKPDGEFI-UHFFFAOYSA-N 374.440 4.641 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H](c4nc(C(C)C)no4)C3)oc2c1 91536561 DLOHNOCEGMZSAH-OAHLLOKOSA-N 367.449 4.576 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3csc(C(C)C)n3)c(C)c2c1 91781301 ULCHNMHJBDYBML-UHFFFAOYSA-N 355.507 4.945 0 50 FJAA O=C(c1ccccc1)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95369156 FJJQSNWFKXWHKR-QFIPXVFZSA-N 374.528 4.561 0 50 FJAA CCC(=O)NCc1ccccc1-c1ccc([C@H](C)N2CCCCC2)cc1 96130759 FDJYYFFDBLRHPD-SFHVURJKSA-N 350.506 4.927 0 50 FJAA Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(C)n1 152238649 SBXNWUOGMXLKEX-INIZCTEOSA-N 352.463 4.677 0 50 FJAA O=C(Nc1ccnn1-c1ccccc1)c1cc(F)c(Cl)cc1Cl 174184173 CMZZPCHCAUQEHM-UHFFFAOYSA-N 350.180 4.571 0 50 FJAA CC(C)CCn1ncc(NC(=O)N2CCC[C@H]2c2cccn2C)c1C(C)C 331690057 XYXKWENLLZMPAE-IBGZPJMESA-N 371.529 4.760 0 50 FJAA CC(C)Cc1ccc(-c2cc(=O)c3cc(CC(=O)O)cc(Cl)c3o2)cc1 623209 FYGZXRDGJNXBRU-UHFFFAOYSA-N 370.832 4.939 0 50 FJAA COc1cc(C)c2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 706774 GHFDFDWDIJBHRT-UHFFFAOYSA-N 350.292 4.921 0 50 FJAA biogenic CC(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 722006 HYDWFGVCJDTBNG-UHFFFAOYSA-N 372.635 4.867 0 50 FJAA CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc1 861386 KBGCNKILBHPGEN-FQEVSTJZSA-N 370.493 4.533 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1 1116858 YUWXFEWNGBJTJG-UHFFFAOYSA-N 372.896 4.902 0 50 FJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)c3ccccc3)ccc12 1155536 CGHUFBKHOGVMGG-UHFFFAOYSA-N 370.404 4.911 0 50 FJAA aggregator CSC1=N[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 2501009 IKQVAWAYEBGDCK-NQIIRXRSSA-N 368.502 4.602 0 50 FJAA Cc1ccc2nc(NC(=O)Cc3ccc(Br)cc3)sc2c1 2623965 DMMWYVSKCUJKCJ-UHFFFAOYSA-N 361.264 4.548 0 50 FJAA CCSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 2887556 CPTFMZYMLJRTPF-UHFFFAOYSA-N 361.776 4.513 0 50 FJAA COC(=O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1C(=O)c1ccccc1 4744449 WNYHDIOZNFFNJJ-JSXRDJHFSA-N 352.474 4.965 0 50 FJAA biogenic O=C(O)c1ccc(-n2nc3c(c2-c2ccc(Cl)cc2)CCCC3)cc1 5763627 DHSWODKLMMAURM-UHFFFAOYSA-N 352.821 4.770 0 50 FJAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccc(O)c2)C1 20203299 ZINILCAHPHYAPU-MRXNPFEDSA-N 363.379 4.506 0 50 FJAA Cc1cc(NCc2csc(-c3ncccn3)n2)nc2cc(Cl)ccc12 55053518 FGONWZMVSJELQX-UHFFFAOYSA-N 367.865 4.722 0 50 FJAA CCC(=O)Nc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 64801177 HTPHEAZVBQVHOD-UHFFFAOYSA-N 353.470 4.622 0 50 FJAA O=C(c1cccc2cnccc12)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65395271 INTGJJFYWJNXNY-DEOSSOPVSA-N 370.452 4.706 0 50 FJAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1ccc2cccc(F)c2n1 91427151 QUVJOTDKMXOMLH-CQSZACIVSA-N 374.419 4.597 0 50 FJAA Cc1nc([C@@H](C)N(C)C(=O)c2ccc(-c3ccccc3)n2C)c(C)s1 95382662 FOJWLRICJWDBKK-CYBMUJFWSA-N 353.491 4.599 0 50 FJAA C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)C1 169299687 ROWKXAAHFUHOGZ-IIAWOOMASA-N 369.896 4.525 0 50 FJAA C/C=C/c1ccc(OC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 641451 KNWFSXMBHWRRMU-GQCTYLIASA-N 355.390 4.516 0 50 FJAA Cc1ccc(C(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1 706761 RQDWXUKFUIPSAJ-UHFFFAOYSA-N 364.470 4.573 0 50 FJAA O=C1N[C@@H](c2ccccc2Cl)Nc2c1sc(=S)n2-c1ccccc1 843005 GCRSECULWAXJOD-AWEZNQCLSA-N 373.890 4.776 0 50 FJAA O=S(=O)(Nc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 953445 ITVHYGMCBFXMCH-UHFFFAOYSA-N 351.349 4.659 0 50 FJAA O=Cc1cc(Br)ccc1OC(=O)c1cccc2ccccc12 1143359 DVCZHBITFDTBDG-UHFFFAOYSA-N 355.187 4.634 0 50 FJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1 1147832 SGDCQJYGXXGUSO-UHFFFAOYSA-N 361.022 4.714 0 50 FJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 1461208 HBZQALZMAAWLFO-ZDUSSCGKSA-N 357.475 4.787 0 50 FJAA C[C@@H]1CCCN(CCCCOc2ccc(Cl)cc2Br)C1 2824106 DMPWBCHLMBBPJZ-CYBMUJFWSA-N 360.723 4.993 0 50 FJAA CCOc1ccccc1NC(=S)Nc1ccc(Br)cc1C 2855886 OFBCGFXPQDGOLW-UHFFFAOYSA-N 365.296 4.965 0 50 FJAA O=C(NCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12 2867555 CRWAYJBVGAGKML-UHFFFAOYSA-N 356.400 4.971 0 50 FJAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C4CCC4)C3)cc2)c1 15073531 OGCSYCJABBUENG-IBGZPJMESA-N 364.489 4.565 0 50 FJAA COc1ccccc1C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28289606 RSTRNPWIXDQXLJ-UHFFFAOYSA-N 370.811 4.730 0 50 FJAA C[C@H](O)C1=CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 71770688 XVDUTMWYPKSFPD-DAWVKNJWSA-N 358.522 4.609 0 50 FJAA Cc1cccc([C@H]2CCCCCN2C(=O)Nc2nc3c(s2)COCC3)c1 170630707 CKPKIGZQDFJLFY-QGZVFWFLSA-N 371.506 4.673 0 50 FJAA CO[C@H](C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 225610822 MHIWQHAJMOVQLH-ZHRRBRCNSA-N 361.441 4.624 0 50 FJAA Cc1nn(C(C)C)cc1-c1cccc(C(=O)N[C@@H](C)Cc2ccsc2)c1 299779171 QDDIKWSVIHWXBK-HNNXBMFYSA-N 367.518 4.862 0 50 FJAA CCN(Cc1c(F)cccc1Cl)C(=O)c1cnoc1-c1ccccc1 426420402 ANMNULVBYMBEFS-UHFFFAOYSA-N 358.800 4.796 0 50 FJAA C[C@H](Nc1cccc(N2CC(C)(C)C2=O)c1)c1ncc(-c2ccccc2)o1 1875386968 HNBHRFULDMLUQZ-HNNXBMFYSA-N 361.445 4.888 0 50 FJAA O=C(Nc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)c1ccccc1 639063 CNQTZVQPFFLUOM-UHFFFAOYSA-N 351.789 4.812 0 50 FJAA COc1ccc(CSc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)cc1 1111734 KPXITBGTTKGIPM-LLVKDONJSA-N 371.531 4.699 0 50 FJAA O=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12 1159526 XFJTYRKYIBWEPF-UHFFFAOYSA-N 356.400 4.971 0 50 FJAA Cc1cccc(C(=O)N[C@H](Oc2ccccc2)C(Cl)(Cl)Cl)c1 1232906 XFSIMZGVOITSER-OAHLLOKOSA-N 358.652 4.500 0 50 FJAA COc1cccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 2091275 LEBVQBZEIQHBIV-UHFFFAOYSA-N 372.376 4.688 0 50 FJAA biogenic O=C(c1ccccc1-c1nc(-c2ccccc2Cl)no1)N1CCCCC1 2238351 RMJKIJFAGONWME-UHFFFAOYSA-N 367.836 4.683 0 50 FJAA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(Cl)ccc1Cl 2764206 MJOZMEYJABJDCC-UHFFFAOYSA-N 364.207 4.630 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c(C)c1 2841827 CMMCYKGWRBQJCT-UHFFFAOYSA-N 358.488 4.536 0 50 FJAA COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c1 4302501 PHOADJGYJIOTMI-MRXNPFEDSA-N 368.483 4.810 0 50 FJAA C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 13824213 ITRLYOYEKVDKEE-MITUEXOSSA-N 358.522 4.634 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 17072930 ALZQGBPKHSLVMU-URKNILKWSA-N 351.446 4.581 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1cc2ccccc2o1 20995759 ARIBKSYBEYREGI-IBGZPJMESA-N 361.420 4.925 0 50 FJAA FC(F)(F)c1nccc(NC[C@H](c2ccccc2)N2CCCCCC2)n1 91391231 RUCAMUDEANPEFS-MRXNPFEDSA-N 364.415 4.525 0 50 FJAA Cc1nc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(C)s1 119774127 COBDKJFFNYQEOH-IBGZPJMESA-N 353.491 4.538 0 50 FJAA CC(C)Sc1ccccc1NC(=O)c1cnc(-c2ccccn2)s1 122060865 NCZSLWZRVIGVPG-UHFFFAOYSA-N 355.488 4.958 0 50 FJAA Cc1cccc(SC2CCN(C(=O)c3ccc(C(C)C)nc3O)CC2)c1 1506415340 WTEMIFGTFLNUFI-UHFFFAOYSA-N 370.518 4.616 0 50 FJAA CC(C)C1CCC([C@@](C)(O)CNC(=O)[C@@H]2CC=Cc3ccccc32)CC1 2325842014 LVKMDOUBPJLFND-JAUAWXEUSA-N 355.522 4.517 0 50 FJAA COc1cc(/C=C/C(=O)N2CCC(C)CC2)ccc1OCc1ccccc1 951238 OCSHFXNKYCDFLV-PKNBQFBNSA-N 365.473 4.546 0 50 FJAA Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)C)c1C 995328 FDGQZDHYGAVVIW-UHFFFAOYSA-N 351.855 4.836 0 50 FJAA Cc1ccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)cc1C 1108593 SZVHFPMVLKFPPT-UHFFFAOYSA-N 365.454 4.879 0 50 FJAA C[C@@H](NC(=O)CSCc1ccccc1Br)c1ccccc1 1173786 JWVZVVCQKYBSJJ-CYBMUJFWSA-N 364.308 4.560 0 50 FJAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C(N)=O)C1 1200069 UDWAZMZPFUANMP-ZDUSSCGKSA-N 362.539 4.517 0 50 FJAA Cc1n[nH]c(C)c1CCCCCCOc1ccc(Br)cc1 2494198 AIVAARLEMBFOGB-UHFFFAOYSA-N 351.288 4.971 0 50 FJAA COc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F 4542200 BZSGTAMJTOUMQX-UHFFFAOYSA-N 358.594 4.503 0 50 FJAA COc1ccc(C2=NN(C(=O)Cc3ccccc3)[C@H](c3ccccc3)C2)cc1 4618735 PDXQJWPDXTWEPY-QHCPKHFHSA-N 370.452 4.616 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1 4809654 HZTXWRWMYOAVQA-UHFFFAOYSA-N 371.440 4.961 0 50 FJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(F)cc3)oc2C)c1 11951807 IPJOAMGCVZRPJZ-CQSZACIVSA-N 354.425 4.991 0 50 FJAA CCCCN(Cc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1 12196986 DOYQUJFRTHEXFS-UHFFFAOYSA-N 353.441 4.602 0 50 FJAA C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)C1 12407497 ROWKXAAHFUHOGZ-LZWOXQAQSA-N 369.896 4.525 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccc3cccnc23)C1 12437716 HBJGKNBCHGRSOA-IBGZPJMESA-N 364.876 4.983 0 50 FJAA O=C(c1ccc(F)cc1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 14998033 KRVFGKLSKXVAIR-UHFFFAOYSA-N 353.437 4.809 0 50 FJAA COc1cccc(CN(C)Cc2nc(-c3cc(F)ccc3F)oc2C)c1 15064188 RESZFGKKTFKUAO-UHFFFAOYSA-N 358.388 4.569 0 50 FJAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C4CCC4)C3)cc2)c1 15073530 OGCSYCJABBUENG-LJQANCHMSA-N 364.489 4.565 0 50 FJAA c1ccc(CN2CCN(CCOc3ccc(-c4ccccc4)cc3)CC2)cc1 19891650 IKBSUJSLCUTAQX-UHFFFAOYSA-N 372.512 4.550 0 50 FJAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1 20455612 AFFJIAYDPKNZOM-DEOSSOPVSA-N 369.468 4.719 0 50 FJAA CCC(CC)c1n[nH]c2c1CN(Cc1c(C)noc1-c1ccccc1)CC2 20909869 GEPAUIIXMHHJPU-UHFFFAOYSA-N 364.493 4.835 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C 44856371 FSBNCYDWJQANMX-GOSISDBHSA-N 368.496 4.532 0 50 FJAA COC[C@H]1CCN(C(=O)Nc2ccccc2SCc2ccc(C)cc2)C1 96180378 UEEHVURMJWGZSW-SFHVURJKSA-N 370.518 4.788 0 50 FJAA CC(C)c1noc([C@H]2CCCCN2Cc2coc(-c3ccccc3)n2)n1 97717171 LQNHUJIOFOEXAX-QGZVFWFLSA-N 352.438 4.575 0 50 FJAA COc1ccccc1C[C@@H](C)NCc1nc(-c2ccccc2F)cs1 225636813 OJCXRZPZFHDHRO-CQSZACIVSA-N 356.466 4.679 0 50 FJAA Cc1cc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)ccc1Oc1cccnc1 237557724 NYLARHZLRLZIHR-KSFYIVLOSA-N 366.436 4.533 0 50 FJAA O=C(NC1CCCCCCC1)N(Cc1ccncc1)Cc1ccc(O)cc1 426518439 YJEWQUQRTBGVKJ-UHFFFAOYSA-N 367.493 4.612 0 50 FJAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(N2CCCCC2)cc1 828158021 RZXJXGZCDBRLFU-UHFFFAOYSA-N 363.505 4.525 0 50 FJAA FC(F)(F)c1ccc(N2CCC(F)(c3ccccn3)CC2)nc1Cl 845556716 RTWXGANXBTYTAO-UHFFFAOYSA-N 359.754 4.614 0 50 FJAA COc1cc2c(cc1OC)[C@H](c1ccc(-c3ccccc3)cc1)CC(=O)N2 1460957 BUPHTDQTDCVUHA-SFHVURJKSA-N 359.425 4.845 0 50 FJAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 4911098 JJOTYPJJHAHWOU-ZDUSSCGKSA-N 359.853 4.702 0 50 FJAA Sc1nnc(CCc2ccccc2)n1-c1cc(Cl)cc(Cl)c1 6402858 HKXQVKPCSMWZCY-UHFFFAOYSA-N 350.274 4.648 0 50 FJAA FC(F)(F)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19537646 NKDSUWQPWJBWQU-QPJJXVBHSA-N 360.423 4.536 0 50 FJAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)o1 19635471 NSXNENILHXSPOC-QGZVFWFLSA-N 374.912 4.550 0 50 FJAA CN(Cc1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 54991839 XAFPHMRYPYEZPB-UHFFFAOYSA-N 373.338 4.546 0 50 FJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(CCC(C)(C)O)cc1 72423491 MLARBVRRRHTCMX-NRFANRHFSA-N 351.490 4.676 0 50 FJAA COc1ccc(-c2ccc(C(=O)N[C@H](c3ncccc3C)C3CC3)o2)cc1 96151640 PERMDXIUCBJSQI-NRFANRHFSA-N 362.429 4.540 0 50 FJAA CN(Cc1ccccc1Cl)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173436 DIVPTKOHHBYOFV-NRFANRHFSA-N 362.860 4.866 0 50 FJAA CCCO[C@H]1CCCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 172996812 QUHJUSOJPRYNRE-HNNXBMFYSA-N 361.507 4.640 0 50 FJAA CCN1CCCC[C@@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1 299757100 MQEIIOFFKNRMKH-HXUWFJFHSA-N 368.546 4.680 0 50 FJAA c1csc(CC[C@@H]2CCCCN2Cc2cc(-c3ccncc3)no2)c1 1529126355 FZHZJFANIXWNJK-KRWDZBQOSA-N 353.491 4.785 0 50 FJAA O=C(Nc1ccc(-c2ccsc2)cc1)c1cccn1Cc1cccnc1 1875257222 LPYAXCYIRUAOKZ-UHFFFAOYSA-N 359.454 4.912 0 50 FJAA O=C(O[C@@H]1COC[C@@H]1CC1CC1)c1ccc(OCC2CCCCC2)cc1 1875357841 YRDYNTLMJFGTTB-PZJWPPBQSA-N 358.478 4.618 0 50 FJAA Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CC[C@@H]4CCC[C@H]43)cc2)o1 2325745367 LJWXOVNHWQMSPP-OXJNMPFZSA-N 373.456 4.727 0 50 FJAA Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)[C@H]3CCCO3)c3ccccc32)cc1 686896 QOFKWWKJHDRNGC-QPPBQGQZSA-N 363.501 4.995 0 50 FJAA Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2N)c(F)c1F 725818 CTYJQBYSUKSJHE-UHFFFAOYSA-N 364.298 4.992 0 50 FJAA COc1ccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)cc1OC 1140695 NXCQIIFVCOPJPK-NSHDSACASA-N 360.797 4.547 0 50 FJAA Cc1cc(Br)ccc1NC(=O)CSc1ccc(F)cc1 1145651 QYMUFLKSAYXTSQ-UHFFFAOYSA-N 354.244 4.627 0 50 FJAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc2ccccc12 2198579 RLBULTCACGVDPZ-UHFFFAOYSA-N 367.758 4.656 0 50 FJAA Cc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1C 2873612 PXLFEVZLTISSJV-UHFFFAOYSA-N 355.825 4.578 0 50 FJAA CCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2873836 UUGVEVNNPXPALJ-UHFFFAOYSA-N 356.422 4.524 0 50 FJAA O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1 3816269 XWVBOPKUSVZZPJ-UHFFFAOYSA-N 350.393 4.794 0 50 FJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1C 5046972 KPUUZMNRNKSILR-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA Cc1ccc2cccc(O[C@]3(c4ccccc4)OC(=O)c4ccccc43)c2n1 5798957 NZCPDYYDFYYYSF-XMMPIXPASA-N 367.404 4.994 0 50 FJAA COc1ccc(C(=O)N2CC3(CCCC3)c3ccccc3[C@@H]2C)cc1OC 22135274 XAKPNMNGQPAGRB-INIZCTEOSA-N 365.473 4.733 0 50 FJAA Cc1c(-c2c(-c3ccccc3)ncn2CC[C@H](C)O)[nH]c2ccc(F)cc12 67956303 ZSIKQASQEUTRHM-AWEZNQCLSA-N 363.436 4.917 0 50 FJAA Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 136684695 KNPIVFFADRSZNO-UTKZUKDTSA-N 363.567 4.882 0 50 FJAA Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)c(Br)c1 170691549 SWJKSTISEUTNPP-UHFFFAOYSA-N 374.263 4.528 0 50 FJAA CO[C@H](C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 225610864 MHIWQHAJMOVQLH-AOMKIAJQSA-N 361.441 4.624 0 50 FJAA CCC(=O)c1cccc(-c2ccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2)c1 426544344 HUFRZABNOHMHEG-SZPZYZBQSA-N 359.469 4.985 0 50 FJAA COc1cccc(-c2cccc(C(=O)N[C@H]3COC4(CCCCC4)C3)c2)c1 426580988 LVMGTOSNIJHRAO-HXUWFJFHSA-N 365.473 4.584 0 50 FJAA Cc1cc(=O)nc(-c2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)cc2)[nH]1 534646713 NEIVRZDQYNYLMH-KRWDZBQOSA-N 359.473 4.569 0 50 FJAA Cc1ccccc1-c1ncc(-c2nccn2CCC2(O)CCCC2)s1 1857699256 JXPVRWIENJIUHB-UHFFFAOYSA-N 353.491 4.677 0 50 FJAA CCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C(C)(C)C 1875324630 GHCQQONUOKCACG-UHFFFAOYSA-N 369.571 4.876 0 50 FJAA C[C@@H](C1CC1)n1nc(C2CCCC2)nc1-c1cccc(P(C)(C)=O)c1 1875330882 GWSZIRLOZZAVCD-AWEZNQCLSA-N 357.438 4.822 0 50 FJAA O=C(N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1)c1cc2ccccc2nc1O 1875341583 YQFFLJWLUJHEBB-MAUKXSAKSA-N 364.420 4.536 0 50 FJAA COc1c(Cl)cc(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1Cl 2325722648 JZVHMTHCCASTCX-OAHLLOKOSA-N 354.208 4.558 0 50 FJAA O=C(c1coc(C2CCCC2)n1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325820949 HNRHOZHFBGFKJL-UHFFFAOYSA-N 374.868 4.669 0 50 FJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](CCC(C)C)c1cnccc1C 2325842089 NZHAXZZMEVSPOQ-OFNKIYASSA-N 354.538 4.617 0 50 FJAA C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 727275 MYEYHWWQCKHFML-ROUUACIJSA-N 372.468 4.669 0 50 FJAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc3ccccc23)CC1 780510 DUVGWHZKWSQBKE-UHFFFAOYSA-N 372.468 4.639 0 50 FJAA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(OC)c1 1097949 YCNRSDLXQQZGKE-UHFFFAOYSA-N 361.441 4.865 0 50 FJAA C[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2Cl)C1 1460341 CHZUKCDZUBVPEF-LLVKDONJSA-N 374.706 4.518 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2 2082873 VVRQTOKAPVLYOO-UHFFFAOYSA-N 363.504 4.898 0 50 FJAA CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 2181417 YLMFXORTYASMCC-IBGZPJMESA-N 364.489 4.583 0 50 FJAA COc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2C)cc1 2761248 PIHMPJUBOPEROX-UHFFFAOYSA-N 365.404 4.974 0 50 FJAA C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 6700654 WWXKSNDTVPLZRW-GJZGRUSLSA-N 370.880 4.995 0 50 FJAA Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccncc4)nc3c12 13624931 YIHAHQITCAAEMI-UHFFFAOYSA-N 360.465 4.653 0 50 FJAA CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Nc1ccccc1 72139258 WHMZGTBYZGMVLL-UHFFFAOYSA-N 364.449 4.698 0 50 FJAA CCNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2cccs2)s1 77407760 FNWWKTHDUQKIRA-AWEZNQCLSA-N 363.552 4.572 0 50 FJAA O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)Nc1ccccc1Cl 169771914 ZEEZCKATYFUTMG-UHFFFAOYSA-N 367.840 4.579 0 50 FJAA Cc1nc(C)c(C(=O)O[C@@H](C)C(C)C)c(-c2ccccc2N=O)c1C(=O)O 207293974 KKQILAUVQAVWHF-ZDUSSCGKSA-N 370.405 4.663 0 50 FJAA Cc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)c1 263618316 SGGPIWFBNLRNID-QGZVFWFLSA-N 367.836 4.676 0 50 FJAA Cc1nc2ccc(C(=O)N3CCC[C@H](c4nc(C(C)C)cs4)C3)cc2o1 329994060 YZOSQVIYWHBFDX-HNNXBMFYSA-N 369.490 4.736 0 50 FJAA Cc1cc(=O)c(-c2noc(C=C[C@]3(C)CC[C@@H](C)C3(C)C)n2)c2n1CCC2 1857532175 OHWVULYMJWRDKJ-PEBXRYMYSA-N 367.493 4.629 0 50 FJAA O=C(N1CC[C@H]2CC[C@@H](C2)C1)[C@@]1(Cc2ccccc2)CCc2ccccc21 2325817782 WOUVLAPNKMSJJG-FZOAFFARSA-N 359.513 4.762 0 50 FJAA COc1ccc(NC(=O)C[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 892486 ZLPJWVDXNJJBLG-QHCPKHFHSA-N 367.489 4.859 0 50 FJAA biogenic Cc1ccc(-c2csc(NC(=O)COc3cccc(Cl)c3)n2)cc1 947006 GNAFKONKROCENA-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA O=C(C[C@H](C(=O)O)c1cccc(Br)c1)c1ccc(Cl)cc1 1397658 LGSXJUDEOUVXHL-AWEZNQCLSA-N 367.626 4.544 0 50 FJAA O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl 2853826 AJBZWBHFNLOZAN-UHFFFAOYSA-N 370.179 4.813 0 50 FJAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 2857929 WQTUDROCDQPRAX-UHFFFAOYSA-N 357.841 4.528 0 50 FJAA C[C@@H]1C[C@@H](C)CN(CCOCCOc2ccc(Cl)c3ccccc23)C1 4906575 YKVZILBGRZOAET-IAGOWNOFSA-N 361.913 4.867 0 50 FJAA Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccccc2F)n1 13329361 BGXRXTIEDZTWHE-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 15077497 IKPXAEVVZRHRAG-HNNXBMFYSA-N 374.937 4.770 0 50 FJAA C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 17045037 KPDBEVAORIQAOL-NSHDSACASA-N 374.853 4.976 0 50 FJAA O=C(O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1 40451257 MOKIYLJPWZICNR-QGZVFWFLSA-N 373.408 4.583 0 50 FJAA FC(F)(F)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)nc1 72163209 UCFYJQPYQOZEJF-UHFFFAOYSA-N 369.350 4.651 0 50 FJAA Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)N1C[C@@H](C)CC[C@H]1C 170652453 JBYBZOKNSGLKKF-LSDHHAIUSA-N 352.482 4.710 0 50 FJAA CCCCN(Cc1ccncc1)C(=O)c1ccc(-c2c(C)n[nH]c2C)cc1 426723881 NWFYYKQAUGEXDB-UHFFFAOYSA-N 362.477 4.531 0 50 FJAA COC(=O)c1c(C2CC2)csc1NC(=O)c1oc2ccccc2c1C 439667399 AXULRNXMXMLTEV-UHFFFAOYSA-N 355.415 4.719 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N[C@@H]3[C@H]4CCCC[C@H]43)c2c1 1875263949 DNJONCLFKYWJBZ-YPGOJHLTSA-N 357.457 4.524 0 50 FJAA CCc1cccc(CN2CCC[C@@H](NC(=O)CC3(C)CCCC3)[C@H]2C)c1 1875406973 QGCVPXVAPSCRHV-WIYYLYMNSA-N 356.554 4.689 0 50 FJAA COc1ccc(-c2c(-c3ccccc3)nn(-c3ccccc3)c2N)cc1OC 639560 DKAIUDQXFSDFJN-UHFFFAOYSA-N 371.440 4.806 0 50 FJAA Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)[C@@H]3CCCO3)c3ccccc32)cc1 686897 QOFKWWKJHDRNGC-XUZZJYLKSA-N 363.501 4.995 0 50 FJAA O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1174316 ZEFDPDOKOXFXOF-UHFFFAOYSA-N 359.050 4.686 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(Br)c1 1216833 GYXJZWTWPHXATI-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(C)cc1 1386395 VXDDMNWJERCSQR-UHFFFAOYSA-N 350.443 4.780 0 50 FJAA COc1ccc(OCc2nn(-c3ccccc3)c(N)c2-c2ccccc2)cc1 2442092 PMKNBTNQFXRTTJ-UHFFFAOYSA-N 371.440 4.709 0 50 FJAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1C 16945326 YZZGRTBGWGRJAT-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA COc1ccc(F)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 154465163 JWHJOEKQADZWMW-UHFFFAOYSA-N 373.815 4.543 0 50 FJAA Cc1cccc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1Cl 165679487 VPZFVMILYJGHCC-INIZCTEOSA-N 355.825 4.629 0 50 FJAA Cc1nc(C(F)(F)F)c(CNc2cccc(OC[C@H]3CCCO3)c2)s1 184317752 ZPUMQOSWZDEGRX-CQSZACIVSA-N 372.412 4.640 0 50 FJAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)c1 239328994 JZOWEIHQVPQDRU-GMAHTHKFSA-N 374.415 5.077 0 50 FJAA Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)ccc1Cl 676116 DRFVEXGQPUUUSW-NSHDSACASA-N 368.658 4.817 0 50 FJAA Cc1ccc(-c2csc3nnc(SCc4c(C)noc4C)n23)cc1 937513 NSSHSQUZORSXGA-UHFFFAOYSA-N 356.476 4.663 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 1205499 PMKSYCNQJUZDMR-UHFFFAOYSA-N 374.396 4.526 0 50 FJAA O=C(Nc1ccc(C(=O)O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1752621 BUYIGHNLUHGPLP-UHFFFAOYSA-N 358.703 4.701 0 50 FJAA Cc1cccc(C(=O)Oc2ccc(Br)cc2Br)c1 4646643 WMRWKZGNACYQGX-UHFFFAOYSA-N 370.040 4.739 0 50 FJAA Sc1nnc(-c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 5814013 OYGRFXCVIXBGAX-UHFFFAOYSA-N 359.454 4.802 0 50 FJAA CSc1ccccc1C(=O)N[C@H](C)c1cnn(-c2ccccc2C)c1C 12197129 KKEVFAMPWSTUGU-OAHLLOKOSA-N 365.502 4.702 0 50 FJAA Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1 17123187 AGRIZENNDLUDQH-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA COc1ccc2cc(CN(C)Cc3ccon3)c(-c3cccc(C)c3)nc2c1 72480191 VCGBKULCKZNGAV-UHFFFAOYSA-N 373.456 4.839 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2c1 95521818 KRCQPCOVTIUCET-QFIPXVFZSA-N 359.473 4.778 0 50 FJAA O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(-c2cc[nH]n2)s1 225459005 HRXGZPUQEDWDPT-UHFFFAOYSA-N 366.490 4.771 0 50 FJAA C[C@H](N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cc(Cl)cc(Cl)c1 241965763 UVLRPZABEUVMBQ-KEKQHROYSA-N 355.309 4.735 0 50 FJAA COc1cccc([C@H]2CCCN2Cc2[nH]c3ccc(OC)cc3c2C)c1 670452588 RSQOLDMWFFREFS-JOCHJYFZSA-N 350.462 4.831 0 50 FJAA O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1sccc1Cl 1472614921 HNSOGIMOWSBIBB-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA O[C@H](c1cccs1)C1CCN(Cc2ccccc2OC(F)(F)F)CC1 1529169340 WLQJQNJGULIMSY-KRWDZBQOSA-N 371.424 4.592 0 50 FJAA C[C@H]1CCN(CCOc2ccc(-c3cnc4c(F)cccc4c3)cc2)C1 1875408477 XLVNSOLZDMTICQ-INIZCTEOSA-N 350.437 4.762 0 50 FJAA O=C(Nc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccncc1 2325705117 YKPKGLBVASTDGD-UHFFFAOYSA-N 374.831 4.840 0 50 FJAA CC(C)OC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCCC2 668298 CEUZDZOJDWLZIS-UHFFFAOYSA-N 363.523 4.813 0 50 FJAA CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 2853781 FJQDLYWXSSUFTK-UHFFFAOYSA-N 358.441 4.746 0 50 FJAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC(C)=O)cc3)ccc21 2879723 KUMCFDPHVMZEGQ-UHFFFAOYSA-N 372.424 4.992 0 50 FJAA Clc1cc(Cl)c(OCc2nc(-c3ccncc3)no2)cc1Cl 5060106 DNLDCZFTFCYRJB-UHFFFAOYSA-N 356.596 4.671 0 50 FJAA COc1cccc(-c2nc(CN3CC[C@@H]4CCCC[C@H]4C3)c(C)o2)c1OC 12091988 YFQJCRWPWPQCEV-IRXDYDNUSA-N 370.493 4.679 0 50 FJAA CC(C)c1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 13322759 VXINUUBDAVOFQF-UHFFFAOYSA-N 371.912 4.813 0 50 FJAA CC(=O)OC1=C(C)[C@H](c2ccccc2)N(C(C)=O)[C@H](c2ccccc2)[C@@H]1C 16425265 ZWGFKDQMUUUAAT-UZQPLGKSSA-N 363.457 4.804 0 50 FJAA Cc1cc(=O)[nH]c2cc(NC(=O)N3CCCCC[C@@H]3c3ccco3)ccc12 97425282 JBOHXFXBPRGCJI-GOSISDBHSA-N 365.433 4.579 0 50 FJAA Cc1ccc(Cl)c2ccc(NC(=O)N[C@@H](c3nccs3)C3CC3)nc12 170593130 WKNQVIOSMLBSEH-MRXNPFEDSA-N 372.881 4.926 0 50 FJAA Cc1c(NC(=O)c2cccn2C2CC2)cccc1NC(=O)C1CCCC1 952983594 PRIKHYIQQLOZHD-UHFFFAOYSA-N 351.450 4.512 0 50 FJAA COc1ccc(CNc2ccc(Br)cc2C)c(OC)c1C 851067 USTFPUKAYWQKSZ-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA Cc1ccc(Sc2c(C)nn(C(=O)COc3ccccc3)c2C)cc1 1190075 BOLMLHFMKRPSTR-UHFFFAOYSA-N 352.459 4.679 0 50 FJAA CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 1232074 JNYFNQWRGSQZQC-SNVBAGLBSA-N 356.205 4.511 0 50 FJAA COc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)cc1OC 1818239 GJVCJNGEULTDBS-IBGZPJMESA-N 369.436 4.748 0 50 FJAA NNc1nc(Cc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 3028237 YLIIRKGDFLQCAK-UHFFFAOYSA-N 370.500 4.778 0 50 FJAA Cc1ccc(C)c(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1 4982440 DMXJRHDFHFHZOF-LICLKQGHSA-N 356.422 4.548 0 50 FJAA Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(Cl)c2)c1 6935263 IXWJTXWVJKZLPY-UHFFFAOYSA-N 356.809 4.776 0 50 FJAA Cc1ccccc1-c1cnnc(N(C)Cc2cccc(C(F)(F)F)c2)n1 12706450 QLQHKKAKVXXBIZ-UHFFFAOYSA-N 358.367 4.502 0 50 FJAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc(Cl)cc1)CCCC3 17074688 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CCOc1ccccc1OCCOCCOc1ccc(Cl)cc1C 2991401 INQSPHVEJISFCN-UHFFFAOYSA-N 350.842 4.522 0 50 FJAA COc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1 3907878 DXIWFKXNWFFNEZ-UHFFFAOYSA-N 362.307 4.621 0 50 FJAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4616694 VZWRHZPWLPDJSL-FYYLOGMGSA-N 356.425 4.938 0 50 FJAA Fc1ccccc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 4980376 MGGPFKOOBLGZBT-UHFFFAOYSA-N 358.460 4.719 0 50 FJAA COc1ccc(CN2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)cc1 11964583 MGBTZMDWUFSSSG-UHFFFAOYSA-N 365.452 4.604 0 50 FJAA Cc1ccc(SCCN(C)Cc2cccnc2NC(=O)C(C)(C)C)cc1 55042191 IRDLHDNEDXFDJZ-UHFFFAOYSA-N 371.550 4.599 0 50 FJAA O=S(=O)(O)c1ccccc1P(C1CCCCC1)C1CCCCC1 86016330 HGWGEQXOJCXFBA-UHFFFAOYSA-N 354.452 4.706 0 50 FJAA COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)cc3c2OCC3)cc1 120561572 RSTYMVXQSRZKQM-SFHVURJKSA-N 372.852 4.653 0 50 FJAA Cc1ccc2c(=O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)[nH]c2c1C 138935015 KRIZZJVXOLRIIH-HXOBKFHXSA-N 352.522 4.854 0 50 FJAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181097385 FWGPZOTZTXKKGT-OCCSQVGLSA-N 370.403 4.910 0 50 FJAA CC(C)c1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)no1 299782328 MJXTVJMSGVOBCT-JQHSSLGASA-N 364.449 4.541 0 50 FJAA Cc1ccc(F)cc1-c1ccc(C(=O)N2CCCC[C@H]2CCCO)cc1 426421123 KXBATAAAHMSZNY-FQEVSTJZSA-N 355.453 4.568 0 50 FJAA COCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc3ncccc3c2)cc1 426489686 RPBHCDVVJXULSV-JOCHJYFZSA-N 374.484 4.933 0 50 FJAA CCOCC1CCN(C(=O)c2ccc(-c3cc(C)c(C)c(C)n3)cc2)CC1 534676858 PCTXJAJGYHBEAE-UHFFFAOYSA-N 366.505 4.563 0 50 FJAA Cc1cc(C)cc([C@@H]2CCCN2C(=O)c2cnc3snc(C)c3c2)c1 1875258616 KKJYKELAMIFDME-SFHVURJKSA-N 351.475 4.594 0 50 FJAA Cc1nn(C)c(NC(=O)N[C@@H](C)c2ccc(F)cc2F)c1-c1ccccc1 1875303737 LCOLXTSYJRNSRA-LBPRGKRZSA-N 370.403 4.556 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Oc1cc(C)c(Cl)c(C)c1 1875318689 LYKLFUHXNOBNNH-UHFFFAOYSA-N 368.882 4.857 0 50 FJAA O=C(N[C@H]1CCC[C@H](c2ccc(F)cc2)C1)c1cnc(O)c2ccccc12 1875341031 CXUFEVPQYGGZNT-RDJZCZTQSA-N 364.420 4.536 0 50 FJAA CCc1ccc(-c2c(C)sc(NC(=O)C3CCC3)c2C(=O)OC)cc1 679905 FFOAKCRAKDRZHK-UHFFFAOYSA-N 357.475 4.811 0 50 FJAA CC(=O)c1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1158278 AIESCOSYJIXZIT-UHFFFAOYSA-N 358.393 4.596 0 50 FJAA CCN(CC)CCCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc12 1296758 JYLGNMMJGZFICR-UHFFFAOYSA-N 360.505 4.996 0 50 FJAA Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2n1 1425540 HNKLUYIZCUFLLS-UHFFFAOYSA-N 366.464 4.992 0 50 FJAA CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc2c(c1)OCO2 2287516 LGYVUXMSMGUEOE-SFHVURJKSA-N 363.350 4.792 0 50 FJAA CCOC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 2694945 QIRAZUFLGQEIIQ-UHFFFAOYSA-N 359.834 4.984 0 50 FJAA O=C(Nc1cc(Cl)cc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 2749985 KNCFSJZYZSRNFH-UHFFFAOYSA-N 356.077 4.941 0 50 FJAA O=C(Nc1c(Cl)nc(-c2ccccc2)nc1Cl)NC1CCCCC1 3102035 ASYAUCDUWNIAHL-UHFFFAOYSA-N 365.264 4.905 0 50 FJAA COc1cc(CNCc2cccnc2)ccc1OCc1cccc(Cl)c1 4413616 CCSHCQLZDZWMKJ-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA Cc1cccc(C)c1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 6697493 KLISXGMUFPZWRL-UHFFFAOYSA-N 363.288 4.573 0 50 FJAA c1ccc(Oc2ncccc2CNCc2ccc([C@@H]3CCCCO3)o2)cc1 12320069 XNODXFPJJHZFFG-FQEVSTJZSA-N 364.445 4.998 0 50 FJAA COc1ccccc1CN[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12593218 ONLAKLBOHLFOBT-NRFANRHFSA-N 361.489 4.665 0 50 FJAA CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)C(C)(C)C)O3)cc1 14994108 VJRTZOGOPZICSH-KRWDZBQOSA-N 355.503 4.541 0 50 FJAA O=C(Nc1cnccn1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 17074343 ARWKUIMDYMJIEP-UHFFFAOYSA-N 360.804 4.598 0 50 FJAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 72433252 IDMAKAHLSRTXHG-HXUWFJFHSA-N 355.453 4.507 0 50 FJAA CC[C@@H](Sc1nnc(-c2ccccc2OC)n1C)c1ccc(F)cc1 133253304 ZMMZDYIBZCNVNO-QGZVFWFLSA-N 357.454 4.873 0 50 FJAA CCc1cccc(CC)c1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O 226393012 WBIGAHOPUIDDCE-ITBHCLRTSA-N 373.496 4.741 0 50 FJAA CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(C2(F)CC2)n1 1875331868 XPHIUQAHGGUDJA-GFCCVEGCSA-N 355.207 4.567 0 50 FJAA Cc1oc2ccccc2c1CN(C)C(=O)[C@H](c1ccccc1)N1CCCC1 2325829320 GGRJOQMUMHELLJ-QFIPXVFZSA-N 362.473 4.537 0 50 FJAA O=C(C[C@@H](NC(=S)Nc1ccccc1)c1ccccc1)c1ccccc1 1158483 IUZPGFXOUOTRAA-HXUWFJFHSA-N 360.482 4.987 0 50 FJAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 2562096 UQSJMUSSYWOJBT-UHFFFAOYSA-N 364.276 4.656 0 50 FJAA COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(C)c1 2762692 IPPDJUKMXLVNRI-UHFFFAOYSA-N 365.454 4.686 0 50 FJAA CCCCOc1cccc(-c2nnc(NC(=O)Cc3ccccc3)s2)c1 2844499 WXJNQMSAQALARP-UHFFFAOYSA-N 367.474 4.565 0 50 FJAA COc1ccc(C2(C(=O)Nc3ccccc3Cl)CCCC2)cc1OC 2987661 PQGAXDRNKFBYBJ-UHFFFAOYSA-N 359.853 4.808 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 4134287 ALZQGBPKHSLVMU-IYJAJMOOSA-N 351.446 4.581 0 50 FJAA O=C(NC1CCCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 4725444 DXYADFITXDZFGK-UHFFFAOYSA-N 366.908 4.530 0 50 FJAA CSc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3C)C2)cc1 15072274 CRLTYSFVFXESTA-JOCHJYFZSA-N 355.547 4.534 0 50 FJAA Cc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)s1 19111380 KOJQAGSLVQFMIS-INIZCTEOSA-N 355.482 4.965 0 50 FJAA Fc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)cc1 23339147 HAYMSSQYKMIBPV-KRWDZBQOSA-N 353.416 4.735 0 50 FJAA O=C(O)[C@H](Cc1ccccc1)NCc1ccc(Sc2ccccc2)cc1 170612744 DKMQTOFGRVORNN-NRFANRHFSA-N 363.482 4.623 0 50 FJAA C[C@H](COCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 1467463933 OTFSZOPDJZQLIF-XFQXTVEOSA-N 357.881 4.523 0 50 FJAA O=C(c1cnoc1-c1ccccc1)N1CCCC[C@@H]1CCc1ccccc1 1506425467 BCNQXFJDMHDCCA-HXUWFJFHSA-N 360.457 4.969 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(Cc1cnn(-c3ccc(C(C)C)cc3)c1)C2 1704299151 OVWZSKIQNRNTKK-DHIUTWEWSA-N 367.537 4.777 0 50 FJAA Cc1cc(Oc2ccncc2)ccc1NC(=O)NC[C@@]12CCCC[C@H]1C2 1875338889 PHXXFYPUYGHTLR-KKSFZXQISA-N 351.450 4.884 0 50 FJAA O=C(/C=C/c1ccncc1)Nc1ccc(OCc2ccccc2Cl)cc1 2325714239 YAEWYHMWRPQKBT-BJMVGYQFSA-N 364.832 4.966 0 50 FJAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc2ccccc12 628673 AJZQTTWEIXVKCL-UHFFFAOYSA-N 352.393 4.592 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 843645 XFYUSPHRMLRBRL-GHTZIAJQSA-N 362.454 4.999 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc3ccccc23)c(Br)c1 947094 RYUAJOXAGXFUSS-UHFFFAOYSA-N 370.246 4.928 0 50 FJAA COc1ccc(C(=O)Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 1049534 AQKSYRPYXFUZHQ-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA CC(C)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)c(Br)c1 1141374 ORCRBCXBWGBDSZ-ZIAGYGMSSA-N 368.315 4.741 0 50 FJAA COc1cc2cc(C(=O)NC(C)C)cc(-c3ccc(C)cc3)c2cc1OC 1145901 MLZJWXGYOYBUDB-UHFFFAOYSA-N 363.457 4.971 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 1209654 SZWVLQDJTSUUEG-UHFFFAOYSA-N 363.804 4.724 0 50 FJAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c1 2053688 NHAFCUIKCJOCPS-UHFFFAOYSA-N 362.882 4.646 0 50 FJAA COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2714321 GJZXRMVLJVDKFA-UHFFFAOYSA-N 372.472 4.844 0 50 FJAA C/C=C/c1ccc(OCCCCOc2c(OC)cccc2OC)c(OC)c1 2985091 NKTXRZFVEZGQGO-WEVVVXLNSA-N 372.461 4.984 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)c3ccccc3)cc12 20616104 GXUJGZXJFYMQSX-AWEZNQCLSA-N 361.470 4.886 0 50 FJAA COC(=O)c1ccc(COc2ccc3c(-c4ccccc4)noc3c2)cc1 32102410 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1772815720 YRFAZMFOBFABNX-QFIPXVFZSA-N 363.501 4.683 0 50 FJAA O=C1CCCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc2N1 2325730800 AVRDFHFDNWJKBD-UHFFFAOYSA-N 353.422 4.968 0 50 FJAA O=C(CSCc1ccccc1)Nc1ccc(Br)cc1Cl 641943 VEKHPIQBUMBDNC-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)Nc1ccccc1-2 1191037 XFJCIWPGEMUFNW-INIZCTEOSA-N 370.865 4.807 0 50 FJAA CCOC(=O)/C=C/c1ccccc1-c1ccccc1/C=C/C(=O)OCC 2023043 DMCMSSKIBAKNKO-WXUKJITCSA-N 350.414 4.506 0 50 FJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(F)cc1 2860986 BLMQTCLXBKTSIR-UHFFFAOYSA-N 373.815 4.580 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3cccc(C)n3)c2c1 6401276 PTNCBRCWGGPHGU-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA Cc1ccccc1NC(=O)c1c(C)nc(Nc2nc3ccccc3o2)nc1C 9111529 XRTQGEJABBSWEL-UHFFFAOYSA-N 373.416 4.539 0 50 FJAA O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCCCCCC1 12476321 WKDRENWRWGPZAL-HXUWFJFHSA-N 365.473 4.730 0 50 FJAA COC(=O)c1ccc(-c2nc(CN(C)[C@@H](C)c3cccs3)c(C)o2)cc1 12714671 QGZCDPZMLXCUMH-ZDUSSCGKSA-N 370.474 4.691 0 50 FJAA Cc1ccsc1CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 15071123 JQCVYRKEIPTXGW-INIZCTEOSA-N 355.482 4.965 0 50 FJAA Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2cccc3ccccc23)oc1C 19226714 VBTSWBXBJMXOBK-FQEVSTJZSA-N 374.444 4.832 0 50 FJAA COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc12 19635026 NYEVQQUSTIHWPG-UHFFFAOYSA-N 366.892 4.824 0 50 FJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cn1 20604270 WZBBMQUPLGMFGS-UHFFFAOYSA-N 371.366 4.689 0 50 FJAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72418340 OYFUZZWYPUGQAN-HNNXBMFYSA-N 359.897 4.877 0 50 FJAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2csc(N3CCCC3)n2)C1 92078932 ZLKBVYPTXLJKEM-FQEVSTJZSA-N 361.555 4.618 0 50 FJAA Cc1nnc(-c2ccc(NC(=O)N(Cc3ccc(C)s3)C3CC3)cc2)o1 96140411 ZWTQIWYHLQJFAO-UHFFFAOYSA-N 368.462 4.611 0 50 FJAA O=C(Nc1cccc2c1CCC2)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 299762445 VKAXQDDYZQJIOR-LJQANCHMSA-N 364.424 4.560 0 50 FJAA O=C1CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)c2ccccc2N1 334162302 LUTMLJHRGLATEJ-NRFANRHFSA-N 374.465 4.505 0 50 FJAA COC(=O)c1cc2cc(NC(=O)c3cc4cc(C)c(C)cc4o3)ccc2o1 1355235316 DHEIVMJPQDVDIN-UHFFFAOYSA-N 363.369 4.835 0 50 FJAA CCCOc1ccccc1[C@@H](C)Nc1cc(C(=O)N2CCCCC2)ccn1 1704349057 YWDRJQGKKQZJPQ-QGZVFWFLSA-N 367.493 4.670 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCc3ccccc32)cn1 2356169850 JLCPLTMMIQLBLF-GOSISDBHSA-N 360.413 4.551 0 50 FJAA C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 1118147 OHRXCHAKZJLALN-SECBINFHSA-N 353.205 4.605 0 50 FJAA O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 2549318 KLGHLIUARUITQS-MDWZMJQESA-N 357.409 4.777 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 2964395 WKLITMAYGQOXGM-GFCCVEGCSA-N 363.866 4.636 0 50 FJAA COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3)sc2C)cc1OC 6185075 LAJLCJURCHCZIS-UHFFFAOYSA-N 372.421 4.527 0 50 FJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@@H]1c1nccn1C 11820416 GFVUZHLDNYENTM-GOSISDBHSA-N 370.884 4.764 0 50 FJAA OCC1(CCCc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 12582304 SMQSBLIQHMKXMS-UHFFFAOYSA-N 373.924 4.643 0 50 FJAA O=C(NC[C@H]1CCCN(C2CCCCC2)C1)C1(c2ccc(Cl)cc2)CC1 15077018 XXNGTJSEYIWZRC-QGZVFWFLSA-N 374.956 4.533 0 50 FJAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 15867099 MTEKOGUSNWEBTB-MRXNPFEDSA-N 358.463 4.684 0 50 FJAA C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C1SCCS1 43762243 YDAQKVWTWGRIQQ-GSJUVLCZSA-N 366.592 4.832 0 50 FJAA COc1ccc([C@H]2OCC[C@@H](C[C@@H](C)C3SCCCS3)O2)cc1 43763207 XYTNTSSIIVZIEO-COXVUDFISA-N 354.537 4.722 0 50 FJAA c1ccc2oc(CN3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)cc2c1 65397835 KSXDUZCJBWHKEZ-HXUWFJFHSA-N 355.441 4.879 0 50 FJAA CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc([C@H]2CCCNC2)c1 95384148 BQMUFEATOVGXAN-KRWDZBQOSA-N 374.887 4.608 0 50 FJAA Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1noc(C2CC2)n1 119502968 FLJLVZGWEFATSY-CYBMUJFWSA-N 354.479 4.572 0 50 FJAA S=c1sc(NCc2ccccc2)nn1CN1CCC[C@H]2CCCC[C@H]21 229979093 AIBGTLFHWPJRNK-IAGOWNOFSA-N 374.579 4.898 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N2CCC[C@@H](N)CC2)cc1 299790474 BTGFXPRFVINTBT-GOSISDBHSA-N 369.534 4.632 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(-c4ccccc4F)cc3)C[C@@H]21 1704298378 IWWSKBRCUVNIEE-QMHWCDLVSA-N 367.464 4.506 0 50 FJAA C[C@@H](C(=O)NCc1ccc(-c2cccc(Cl)c2)o1)c1ccc(O)cc1 1772811085 ONEWLZFMHRENMA-CYBMUJFWSA-N 355.821 4.726 0 50 FJAA c1ccc(-c2nc3ccc(NCc4nc5c(s4)CCCC5)cc3[nH]2)nc1 1875349894 RMJOVSUSECPRMN-UHFFFAOYSA-N 361.474 4.572 0 50 FJAA CC(C)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)nc1 2325822546 AYZLIQHIGFYGPE-UHFFFAOYSA-N 358.869 4.542 0 50 FJAA Cc1cc2ncn(C(=O)c3c(-c4ccccc4Cl)noc3C)c2cc1C 898137 ZZRBVIJIEZEWCS-UHFFFAOYSA-N 365.820 4.958 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 1094363 MYSVNXJFFPGEGH-UHFFFAOYSA-N 358.869 4.980 0 50 FJAA C[C@H](NC(=O)c1ccccc1NC(=O)Nc1ccccc1)c1ccccc1 1148739 VSYLZNWGTSCULJ-INIZCTEOSA-N 359.429 4.822 0 50 FJAA O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1F 1172780 VTRWGUZLXLOQHY-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA COc1ccc(CCNC(=O)c2sc3cc(C)ccc3c2Cl)cc1 1200682 NTHYMDXSBDPLIZ-UHFFFAOYSA-N 359.878 4.844 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCCC2)cc1 1211007 HQNSHGJQXVMMCQ-UHFFFAOYSA-N 350.462 4.700 0 50 FJAA COc1ccc(OCCCOc2ccc(Br)cc2Cl)cc1 2983971 NYZQANMEWYIJAH-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(CC1CC1)C[C@@H]1CCCO1 12111820 NIAHWNOEAGWTLP-SFHVURJKSA-N 360.885 4.694 0 50 FJAA Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1 12583412 DFFWYNZOMJQDNS-HXUWFJFHSA-N 357.453 4.883 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1 19360211 ORUGOANPAANSTP-UHFFFAOYSA-N 368.830 4.677 0 50 FJAA COc1ccc2c(c1)O[C@@H](C)CN(Cc1cnc(-c3ccccc3)s1)C2 64120768 LRTPJLLHJIFLDF-HNNXBMFYSA-N 366.486 4.602 0 50 FJAA c1ccc(-c2ncn(Cc3cccnc3)c2-c2nc3c(s2)CCCC3)cc1 65419569 GTRCUGBDBRAVSO-UHFFFAOYSA-N 372.497 4.996 0 50 FJAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@@H]2c2c(C)noc2C)n1 97347505 VNFQJXHVGXDRAZ-HXUWFJFHSA-N 368.456 4.570 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)N(C)C3[C@@H](C)CCC[C@@H]3C)cc2)nn1 170644026 RGPQGVSMZRDIDZ-GJZGRUSLSA-N 368.481 4.866 0 50 FJAA CC(C)C[C@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)c1cccnc1 299800961 JXYGTZYHJFUXFB-BUMILGAPSA-N 372.578 4.987 0 50 FJAA Cc1cc(=O)nc(-c2ccc(-c3cccc([C@H](C)N4CCCC4)c3)cc2)[nH]1 534647289 WHUNHARUZCPQMC-KRWDZBQOSA-N 359.473 4.569 0 50 FJAA C[C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)CCc2ccc(Cl)cc21 846436191 DQHUGFHGUKTBEC-LBWKMTJJSA-N 357.803 4.561 0 50 FJAA CN(CC[C@H]1CCc2ccccc21)C[C@H](O)c1cccc(Br)c1 1460238532 QMTZLPHDIXWDLO-UZLBHIALSA-N 374.322 4.534 0 50 FJAA C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H]1C[C@H]1c1ccccc1 2325728257 BKLZDBVKALOLFV-USCONSEESA-N 358.441 4.796 0 50 FJAA O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2ccccc2c1 1166355 PVSNXYJOOKOMPD-UHFFFAOYSA-N 356.381 4.937 0 50 FJAA CCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CC)cc3)nc2)cc1 3202598 SOBYTXILFJFUCE-UHFFFAOYSA-N 374.444 4.508 0 50 FJAA CC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 4593152 VTGLGRVSBRMGHA-UHFFFAOYSA-N 374.223 4.954 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(C)c1 5014045 KYCIXKYSNAQLPH-UHFFFAOYSA-N 358.441 4.737 0 50 FJAA COC[C@@H](C)NCc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 11790322 VKHOQMDYBBQVDC-OAHLLOKOSA-N 354.881 4.988 0 50 FJAA Cc1ccc2nccc(C(=O)N3CCC[C@@H](Nc4ccc(C)c(C)c4)C3)c2c1 11843955 TWKZJJDEEPVQEA-HXUWFJFHSA-N 373.500 4.877 0 50 FJAA Cc1ccccc1CCN1CCC(CN(C(=O)C(C)C)C2CCCC2)CC1 12385366 VYNNJEDJPJZMAZ-UHFFFAOYSA-N 370.581 4.677 0 50 FJAA Cn1cnc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc21 17180863 FWGBTNUDGOVKFU-UHFFFAOYSA-N 351.413 4.927 0 50 FJAA Fc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3c(F)cccc3F)C2)cc1 19958728 ODHUXIGSKMAATQ-HNNXBMFYSA-N 371.406 4.874 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)on1 33269987 RMARSWGDTJHDEL-KRWDZBQOSA-N 369.396 4.569 0 50 FJAA Cc1ccc(SCCN(C)Cc2c(C(=O)O)[nH]c3ccc(C)cc23)cc1 55244030 QUQFHVZTMMXBQK-UHFFFAOYSA-N 368.502 4.707 0 50 FJAA CCC[C@H](C)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67850826 HPTLYAOKLMOKMF-ZDUSSCGKSA-N 366.383 4.945 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC(c4nc(C(C)C)no4)CC3)oc2c1 91817616 HVEAHIJZBJLJQU-UHFFFAOYSA-N 367.449 4.576 0 50 FJAA O[C@@H](CNCc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 328589198 LINGJMRDKPJEKX-QFIPXVFZSA-N 367.876 4.742 0 50 FJAA COc1c(F)c(F)c(CN(C)[C@H](C)c2nc(C)sc2C)c(F)c1F 1772703172 ZMPMDHPYPHDZGO-SSDOTTSWSA-N 362.392 4.518 0 50 FJAA CCc1ccc(-c2n[nH]c(SC[C@H](Cc3ccc(F)cc3)OC)n2)cc1 1875279570 YPXHFLNAOIEMCC-SFHVURJKSA-N 371.481 4.523 0 50 FJAA CCc1cccc(C)c1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC 1875318940 MVLBRJYDGLBMON-UHFFFAOYSA-N 361.507 4.799 0 50 FJAA O=C(NC1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 2325853575 VEYATVWHBOVMRM-UHFFFAOYSA-N 363.432 4.539 0 50 FJAA COC(=O)c1cc(CSc2nc3ccc(C)cc3[nH]2)c(Cl)s1 2325863760 VTXWIVBMRVPHHV-UHFFFAOYSA-N 352.868 4.665 0 50 FJAA O=C(NC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1 625547 GNUKMEZTNXTNRJ-UHFFFAOYSA-N 369.218 4.564 0 50 FJAA CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccccc3)cc21 752647 RQGAZDFHTUJPHC-UHFFFAOYSA-N 356.425 4.722 0 50 FJAA biogenic CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1 755623 MNTTUAJBEMOKFA-UHFFFAOYSA-N 357.456 4.906 0 50 FJAA C[C@H](CN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 757439 SZWMKEAQKQRUKY-MRXNPFEDSA-N 374.322 4.536 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@H](C)C2 837704 ONDSJEBRNDPFLM-GFCCVEGCSA-N 357.475 4.610 0 50 FJAA CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1 944088 UDRAZHNCAWLSQT-UHFFFAOYSA-N 355.459 4.675 0 50 FJAA Cc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3cccs3)cc2)cc1 993018 IQOZRRCOTDWBEH-OAHLLOKOSA-N 365.454 4.959 0 50 FJAA Cc1ccccc1C(=O)Nc1cccc(O[C@H](C)C(=O)c2ccccc2)c1 993037 XFDLFEKKBOZEBJ-QGZVFWFLSA-N 359.425 4.898 0 50 FJAA CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1160782 WVYVCSXCKLKQQW-UHFFFAOYSA-N 352.478 4.622 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1 1183166 NBWOCHCYUWUWLO-RMKNXTFCSA-N 351.258 4.520 0 50 FJAA CCCC(=O)N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 2667189 FFTGFIAQRXDSTK-OAHLLOKOSA-N 359.684 4.864 0 50 FJAA CCC1(CC)O[C@H](c2ccc(OC)c(OC)c2OC)Nc2ccccc21 6659472 BTLLBHSIQVRVRF-HXUWFJFHSA-N 357.450 4.869 0 50 FJAA O=C(c1cc(F)c(Cl)nc1Cl)N1CCCCC[C@@H]1c1ccco1 170633547 JYTMZRCNCAUQLQ-GFCCVEGCSA-N 357.212 4.878 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1 174486371 QOLPIZCQYPWNFF-QGZVFWFLSA-N 358.869 4.719 0 50 FJAA CC(C)Oc1ccc(CN(Cc2ccc3[nH]ccc3c2)C2CC2)cc1CO 828817753 PWJDFXWKSUXDLX-UHFFFAOYSA-N 364.489 4.612 0 50 FJAA Clc1ccc2nc(N3CCC[C@H](OCc4ccccn4)C3)sc2c1 1506398161 MCBLQHQFQGBNRF-HNNXBMFYSA-N 359.882 4.530 0 50 FJAA COc1ccc(Br)cc1CN1CCC(Cc2ccccc2)CC1 755527 UYROPOBGQSUWKF-UHFFFAOYSA-N 374.322 4.912 0 50 FJAA BrC1(Br)CC1(c1ccccc1)c1ccccc1 1044364 QHZSIIJMQUCZGT-UHFFFAOYSA-N 352.069 4.863 0 50 FJAA Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 1206735 HFFSIXGLKDOGEH-UHFFFAOYSA-N 355.397 4.964 0 50 FJAA O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccs2)on1 2802627 SRYWVXNNYQAJJE-UHFFFAOYSA-N 367.199 4.557 0 50 FJAA CCCCSc1ccc(NC(=O)c2cncc(Br)c2)cc1 2846056 AIPLKBMYHVTKNA-UHFFFAOYSA-N 365.296 4.989 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C(=O)c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 4854062 KNUFSHCWERZOMD-ZJSXRUAMSA-N 368.436 4.748 0 50 FJAA aggregator O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)n1 5763710 GZXXYOGQURAPNS-UHFFFAOYSA-N 351.164 4.683 0 50 FJAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)cc1C 12300599 YFOZZGOPBODDSM-AWEZNQCLSA-N 371.506 4.925 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)N(C)Cc1csc(C(C)C)n1 77298534 CKQCXUZMFBMSDS-UHFFFAOYSA-N 355.463 4.502 0 50 FJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)[nH]c12 92046860 IJTHFOAFXSMGSW-SFHVURJKSA-N 372.472 4.947 0 50 FJAA CCOC(=O)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1 98213413 FUHREEUSMVPWLY-UHFFFAOYSA-N 351.490 4.811 0 50 FJAA Cc1nc(S[C@@H](C)c2ncc(C(C)(C)C)o2)n(C[C@@H]2CCCO2)c1C 170650867 YQEMQQFXPZQPKI-GJZGRUSLSA-N 363.527 4.818 0 50 FJAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)C1(C)C 242048084 VSPDUSWQQZCQAU-MNEFBYGVSA-N 351.494 4.773 0 50 FJAA COCc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 252507290 WGCCODKDDDFDIL-UHFFFAOYSA-N 370.836 4.713 0 50 FJAA CC(C)(C)[C@H]1CN(C(=O)Nc2ccc(F)cc2)C[C@@H](c2ccccc2)O1 1857733130 WQRZZEQQSCNGHC-RBUKOAKNSA-N 356.441 4.846 0 50 FJAA Cc1nc(-c2ccncc2)nc(N2CC[C@@H](C)[C@@H](c3ccccc3)C2)c1C 1875359101 UIXJGLOCICUPFJ-IERDGZPVSA-N 358.489 4.785 0 50 FJAA CC(CC[C@H]1CC(=O)OC1(C)C)(c1ccc(O)cc1)c1ccc(O)cc1 640289 WWWPWLOCWANBSX-KRWDZBQOSA-N 354.446 4.526 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 641827 NOVTVMVXEQSLAE-UHFFFAOYSA-N 369.446 4.734 0 50 FJAA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 1144284 JMYKZOFTDMJTCD-UHFFFAOYSA-N 370.456 4.906 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCCCC2 1217466 OASHUPBMHGGNDF-UHFFFAOYSA-N 361.463 4.738 0 50 FJAA CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C)C2 2502223 PTKUQXONJVFGKY-SNVBAGLBSA-N 362.882 4.737 0 50 FJAA CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)cc1 7572475 QFQYTIMDVKPKOQ-UHFFFAOYSA-N 371.444 4.715 0 50 FJAA Cn1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)n1 91486446 GILADWLAZYIBBT-KRWDZBQOSA-N 369.852 4.701 0 50 FJAA CSc1ccc(CN(C)N2C(=O)[C@@H](c3ccccc3)c3ccccc32)cc1 101357939 PYXHGRHBMACKMU-QFIPXVFZSA-N 374.509 4.934 0 50 FJAA Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)N1C[C@@H](C)CC[C@@H]1C 170652450 JBYBZOKNSGLKKF-GJZGRUSLSA-N 352.482 4.710 0 50 FJAA Cc1noc(-c2ccccc2)c1C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 190653302 GYZRHEXBPMZOAQ-CQSZACIVSA-N 366.383 4.701 0 50 FJAA O=C1[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C(=O)N1c1cccc2ccccc12 239377957 OGHYAEQLPCICKY-KZMGXOGOSA-N 367.448 4.769 0 50 FJAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(C(C)C)c1 667670442 OTGBHBWBFYIWCV-UHFFFAOYSA-N 350.462 4.607 0 50 FJAA C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(Br)c1 817069 SURJQHVSOIPGRV-GFCCVEGCSA-N 350.281 4.710 0 50 FJAA O=c1c2ccccc2nc(-c2ccccc2F)n1-c1ccc(Cl)cc1 1013751 ZXNSQJXSJZPEEU-UHFFFAOYSA-N 350.780 4.845 0 50 FJAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)o1 1114179 JWYDUEWOIQARIP-UHFFFAOYSA-N 367.199 4.557 0 50 FJAA CCOC(=O)c1c(C)n(CCOc2c(C)cccc2C)c2ccc(O)cc12 1157527 KLBKQKZIWUQCSJ-UHFFFAOYSA-N 367.445 4.528 0 50 FJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(OC)cc2)s1 2239428 GQTUZLANYNAXLU-MRXNPFEDSA-N 368.462 4.733 0 50 FJAA Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)cc1 6788208 ISLFYGHKMOHFQF-UHFFFAOYSA-N 367.452 4.844 0 50 FJAA O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C[C@H]2CC=CCC2)CC1 12431647 DEXGRTWUAQPCGN-SFHVURJKSA-N 364.489 4.953 0 50 FJAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 12575509 XBDYIKJXAKCJFV-OAHLLOKOSA-N 373.543 4.524 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 16474550 NAYSKQRCCYBSED-AXAPSJFSSA-N 357.475 4.643 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)no2)cc1 36620330 JXKDYGBYTNSVET-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA Cc1cc(NC(=O)NC2CCCCC2)ccc1NC(=O)c1ccccc1 64370019 DMFDWZOFRFOIIT-UHFFFAOYSA-N 351.450 4.702 0 50 FJAA COc1ccc(CN(C)C(=O)c2ccc3oc(C)cc3c2)c2cccnc12 91663072 VNHZFPFZJDYBLR-UHFFFAOYSA-N 360.413 4.570 0 50 FJAA CCSc1ccc(NC(=O)N(CCCO)[C@H](C)c2ccccc2)cc1 97814904 CVSUKJPXIWHAGZ-MRXNPFEDSA-N 358.507 4.776 0 50 FJAA COc1cc(C)ccc1CN[C@@H](C)c1sc(-c2cccnc2)nc1C 119843545 RARWUPAPYHRMAL-AWEZNQCLSA-N 353.491 4.681 0 50 FJAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Sc1ccccc1 239377549 OBWXFODKMAXEFK-YXUGBTPSSA-N 367.470 4.523 0 50 FJAA C[C@]1(CN)CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 262051219 RACWPRXFVHTPBL-QGZVFWFLSA-N 369.317 4.533 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)on1 333500192 NXBLKZPOYGLLFV-RZLSGREXSA-N 372.494 4.712 0 50 FJAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)CCc2cccnc2)C1 822416737 AHLYJYLSRUSWGY-HNNXBMFYSA-N 357.885 4.543 0 50 FJAA Fc1ccccc1CN1CCCN(Cc2cc(C3CCCCC3)no2)CC1 1506395874 AQWCBTGYSCLNQM-UHFFFAOYSA-N 371.500 4.569 0 50 FJAA COc1ccccc1C1(CN[C@@H]2c3ccccc3OC[C@H]2F)CCCC1 1875336336 XBICYACIUAWYKS-WIYYLYMNSA-N 355.453 4.568 0 50 FJAA CC(C)c1cccc2c1OCCC[C@@H]2NCC1(c2ncccc2F)CC1 1875408454 WZSGDOORJIPEDI-IBGZPJMESA-N 354.469 4.879 0 50 FJAA COc1ccc(Nc2nc(C3(c4ccccc4)CCNCC3)cs2)cc1 2356152272 WPMALOWSMJRPOW-UHFFFAOYSA-N 365.502 4.565 0 50 FJAA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1cccc2ccccc12 707373 OYRKCZJNAUWPRB-GOSISDBHSA-N 351.475 4.756 0 50 FJAA CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1 796527 MILGFGVHADJWGW-LBPRGKRZSA-N 358.488 4.814 0 50 FJAA Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 888457 WUQJNJNGHXRLFN-UHFFFAOYSA-N 365.380 4.766 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1Br 943490 JZTJYNUYPSJQFT-RMKNXTFCSA-N 360.251 4.726 0 50 FJAA COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 1022964 RXZGNXJINJVMCE-NRFANRHFSA-N 372.424 4.553 0 50 FJAA Cc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 1212162 AYGQSIKYNIATDN-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA Cc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2c1 1287779 OXYLHTUMDNQYKO-UHFFFAOYSA-N 365.380 4.621 0 50 FJAA CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1cccc(Cl)c1 1386429 DMZJVFFZWWDPCI-UHFFFAOYSA-N 354.793 4.766 0 50 FJAA Fc1ccc(-c2csc3ncnc(NCCN4CCCCCC4)c23)cc1 1472987 UUICGSYJBUYIEP-UHFFFAOYSA-N 370.497 4.785 0 50 FJAA CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 2774769 FHFBEFYTHAWSGR-UHFFFAOYSA-N 352.615 4.557 0 50 FJAA COC(=O)c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12 2846430 OLJVHNACGXAZSO-UHFFFAOYSA-N 351.446 4.939 0 50 FJAA CCOc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 2924040 UQDYRXNSJYIOAO-QGZVFWFLSA-N 350.245 4.539 0 50 FJAA O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(Cl)ccc1Cl 6514209 OONGOKHLXHLLSI-RMKNXTFCSA-N 351.258 4.520 0 50 FJAA CC[C@H](C)CC(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 12098110 XYLJGSLLQWCJGJ-YJBOKZPZSA-N 369.484 4.733 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)on1 33269998 PHYKSKWBMDVRLF-QGZVFWFLSA-N 357.454 4.811 0 50 FJAA NCCCCCn1cnc(-c2ccccc2)c1-c1c[nH]nc1-c1ccccc1 67605180 MEJRUQGWDSYJHC-UHFFFAOYSA-N 371.488 4.736 0 50 FJAA CC(C)c1nc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cs1 82127744 NECPSLMKEAGGQC-INIZCTEOSA-N 358.507 4.600 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2c[nH]nc2C2CCCCC2)no1 91526253 GRQDWBUULANGPH-QGZVFWFLSA-N 356.470 4.546 0 50 FJAA CN(Cc1ncc(-c2cccc(F)c2)o1)C1CCN(c2ccccc2)CC1 225519244 NZCVFCFAXNIISW-UHFFFAOYSA-N 365.452 4.582 0 50 FJAA Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3ccccn3)cc2s1 299784187 LJTKLDHAQAVRII-KRWDZBQOSA-N 352.463 4.759 0 50 FJAA Cc1ccc2[nH]c(C(=O)Nc3ccc(OC[C@H]4CCCCO4)cc3)cc2c1 825206823 XBYJORFFXHUGHG-LJQANCHMSA-N 364.445 4.677 0 50 FJAA Cc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c1 1857528197 CUVZENFWXZLNNQ-UXHICEINSA-N 359.429 4.628 0 50 FJAA COc1cccc2cc(C(=O)Nc3ccccc3-c3ccccc3)c(=O)oc12 778554 HAMRGZCRIPFEDE-UHFFFAOYSA-N 371.392 4.721 0 50 FJAA Cc1ccc(C(=O)Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1 955730 AJPBRBFQCSUXNM-UHFFFAOYSA-N 355.397 4.901 0 50 FJAA CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 1004659 FRKPDVXRFXEZFK-UHFFFAOYSA-N 358.869 4.980 0 50 FJAA O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(F)cc1 1051438 DCQWISVMACYJFC-UHFFFAOYSA-N 351.406 4.586 0 50 FJAA aggregator CCOc1ccccc1NS(=O)(=O)c1cc(C)c(Cl)cc1Cl 1174565 GGHUTBQVBYQDMR-UHFFFAOYSA-N 360.262 4.501 0 50 FJAA COc1ccc(OC)c(NC(=O)c2cc3oc4ccccc4c3cc2O)c1 4720969 IWWAOEHIGYWDRA-UHFFFAOYSA-N 363.369 4.561 0 50 FJAA COc1ccccc1NC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4858094 HHQVTTZWURLODV-UHFFFAOYSA-N 371.396 4.665 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)Cc1noc(-c2cccc(Cl)c2)n1 16579649 NNSGNJVQHWAELM-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@H]2[C@@H](C)O)C1 257356888 KXWWWRVUYQUXMN-XMGIVEAKSA-N 360.538 4.878 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(OC)c(F)c3)c2)C1 299762122 RKIHZNDKIAXUAC-LJQANCHMSA-N 371.452 4.533 0 50 FJAA CCCN(Cc1ccccn1)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1 584897840 OZAANFUQSXFMIJ-UHFFFAOYSA-N 372.468 4.736 0 50 FJAA O=C(Nc1cc[nH]n1)c1ccccc1Nc1ccc(SC(F)F)cc1 734429215 GFTLAXINOXJSTJ-UHFFFAOYSA-N 360.389 4.720 0 50 FJAA C[C@H](O)[C@@](C)(CN[C@@H]1CCC(C)(C)c2ccccc2C1)Cc1ccccc1 1875345104 RZHHKSAWRXQNRL-UWUFEASWSA-N 365.561 4.889 0 50 FJAA COc1ccc(C)cc1C1(CNCC2(CC3CC3)CCC2)CCOCC1 1875345271 UEMQHLVEFWCZBV-UHFFFAOYSA-N 357.538 4.612 0 50 FJAA Cc1ccccc1-c1nnsc1C(=O)NC(C1CCCC1)C1CCCC1 1875357767 WCGWIAZTPDMZJK-UHFFFAOYSA-N 369.534 4.992 0 50 FJAA COc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 802307 MMJHLDUURPGLJG-UHFFFAOYSA-N 374.396 4.521 0 50 FJAA Cc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1 1124396 XSJMJAPDFCLNSX-UHFFFAOYSA-N 352.488 4.713 0 50 FJAA CCCC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 2560005 RZZXDYZWHUAOEK-FQEVSTJZSA-N 367.445 4.511 0 50 FJAA biogenic CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(Cl)c1 2871395 FJAOIBSCOINUPT-UHFFFAOYSA-N 357.866 4.593 0 50 FJAA CC(C)(C)c1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1 2875837 BOVSPVPVNZMXPT-UHFFFAOYSA-N 352.438 4.956 0 50 FJAA CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 2951131 DSUFHHWPLNGINP-UHFFFAOYSA-N 364.401 4.573 0 50 FJAA Cc1cccc(O[C@@H](C)c2nc(-c3cccc(Br)c3)no2)c1 4832039 TVGXWMRHJJEYHW-LBPRGKRZSA-N 359.223 4.948 0 50 FJAA COC[C@@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C 12704672 XYHSXYRWTIPEBD-INIZCTEOSA-N 368.399 4.670 0 50 FJAA COc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)c(OC)c1 15867108 GLTCKDBYWLVENR-INIZCTEOSA-N 360.479 4.915 0 50 FJAA CCCCn1ccnc1[C@@H]1CCCN(c2ccc3cccc(OC)c3n2)C1 95356099 FLQSYBDYRXAZTD-GOSISDBHSA-N 364.493 4.624 0 50 FJAA Oc1cccc(C2CCN(Cc3cc(CN4CCCCC4)cs3)CC2)c1 216135768 JOXDGWOQNDDMOQ-UHFFFAOYSA-N 370.562 4.819 0 50 FJAA C=CC(=O)N(Cc1ccsc1C)C[C@@H]1CCCc2cc(OC)ccc21 1875386232 LJODEQRABXVWIN-SFHVURJKSA-N 355.503 4.700 0 50 FJAA CCC(=O)c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 625035 ODAWBXCHLFQJSR-UHFFFAOYSA-N 374.392 4.718 0 50 FJAA CC(=O)OC1=CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@]12C 625043 KPJNGUPMJAHAND-HIUFNZKISA-N 354.446 4.525 0 50 FJAA in-vitro Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C 670958 GNEGOXDKOUMPJX-UHFFFAOYSA-N 365.260 4.968 0 50 FJAA aggregator,in-vivo CCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(CC)cc1 695884 IBLHIVKTJZANPV-UHFFFAOYSA-N 357.475 4.811 0 50 FJAA CC[C@@H](C(=O)N(C)c1nnc(-c2ccc(C)cc2)s1)c1ccccc1 792832 VTMKXAOOXDMSKY-QGZVFWFLSA-N 351.475 4.670 0 50 FJAA CCN(CC)CCNc1nc(-c2cccc(Cl)c2)nc2ccccc12 941403 QLXNEZQKNDJLCI-UHFFFAOYSA-N 354.885 4.704 0 50 FJAA CCn1c2ccccc2c2cc(NC(=S)NC(=O)c3ccco3)ccc21 2860977 XARLZONXJHXTTF-UHFFFAOYSA-N 363.442 4.534 0 50 FJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@H]32)C1 5228076 WVHKCBDRQIXZLC-CQHGLTIFSA-N 360.494 4.582 0 50 FJAA biogenic Cc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccccc1 9925823 HTYKFTOHBDXFJB-UHFFFAOYSA-N 354.335 4.786 0 50 FJAA CN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 12203937 MNVQKIICCOERND-GOSISDBHSA-N 370.905 4.977 0 50 FJAA Cc1ccc2c(C)nc(N3CCC[C@@H](NC4CCCCC4)CC3)nc2c1 14991166 WICQRXFTQSPERA-LJQANCHMSA-N 352.526 4.528 0 50 FJAA Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 19633025 XSEYKIAJEOUVLS-OAQYLSRUSA-N 362.864 4.692 0 50 FJAA CCN(Cc1cnc2c(-c3ccccc3)cnn2c1)Cc1ccccc1F 67871498 HCWTYHBXJYNMER-UHFFFAOYSA-N 360.436 4.558 0 50 FJAA Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccn4)=NN32)c1 328599897 UHIXRERJWJOJQC-PZJWPPBQSA-N 361.832 4.977 0 50 FJAA COc1ccc([C@@H](C)NC(=O)N(Cc2ccc(SC)cc2)C2CC2)cc1 670441828 RRTJHNQBWRVORJ-OAHLLOKOSA-N 370.518 4.852 0 50 FJAA CC(=O)N1c2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc2C[C@H]1C 2325823726 BTTIHZKXIYWRHD-GFCCVEGCSA-N 367.449 4.990 0 50 FJAA COc1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 622194 GKJZNESOKPPSAE-UHFFFAOYSA-N 370.832 4.913 0 50 FJAA Cn1c([C@@H](O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 858198 FYHJKYCSVBKKTA-IBGZPJMESA-N 366.505 4.956 0 50 FJAA COc1ccc(Cl)cc1C(=O)NC(c1ccccc1)c1ccccc1 862275 IJMPIRCGWBTTGV-UHFFFAOYSA-N 351.833 4.868 0 50 FJAA COc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1 995201 RWPSMNXLMPFSJD-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA C[C@H](NC(=O)c1ccccc1Br)C1C2CC3CC(C2)CC1C3 1049460 GQPKFYXSJUCCOQ-XZELYNGVSA-N 362.311 4.640 0 50 FJAA CC[C@@]1(C)Cc2ccccc2-c2nc(SC)n(-c3ccccc3)c(=O)c21 1109718 ZJSCAVIPMRHQMJ-QFIPXVFZSA-N 362.498 4.845 0 50 FJAA CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 1131169 OXTFUWBXAJIBEY-UHFFFAOYSA-N 366.244 4.945 0 50 FJAA COc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccco2)cc1OC 1818240 GJVCJNGEULTDBS-LJQANCHMSA-N 369.436 4.748 0 50 FJAA O=C1CC(c2ccccc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 4180061 DIYXDNIGIWACKQ-UHFFFAOYSA-N 353.834 4.605 0 50 FJAA COC(=O)c1cn(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc12 4550696 PRZPMZARBUAZDX-UHFFFAOYSA-N 369.420 4.900 0 50 FJAA Cc1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2Cl)n1 6700897 WDLJWYNTHSQUDQ-UHFFFAOYSA-N 365.820 4.548 0 50 FJAA Cc1ccc(C(C)(C)C[C@@H](C)NC2CCN(Cc3ccccc3)CC2)o1 22077585 PYEFDJYYEKYHKC-GOSISDBHSA-N 354.538 4.898 0 50 FJAA Cc1noc2ccc(-c3c(-c4ccccc4)ncn3CCc3cn[nH]c3)cc12 67688705 YUQIHAXUPJAFFX-UHFFFAOYSA-N 369.428 4.633 0 50 FJAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1Sc1ccccc1 102309229 OBWXFODKMAXEFK-LSOMNZGLSA-N 367.470 4.523 0 50 FJAA C[C@@H]1CCc2c(sc3ncnc(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c23)C1 238899626 GWEZRYUFIJJLIF-LKBUQDJMSA-N 355.551 5.221 0 50 FJAA CCc1nnc(-c2ccc(NC(=O)N3CCC=C(c4ccccc4)C3)cc2)o1 375517106 NIWGLVXHRNDPMA-UHFFFAOYSA-N 374.444 4.620 0 50 FJAA CCc1ccc(NC(=O)c2c(C)nn(C)c2Sc2ccccc2)cc1 463511971 DZFVUSOLGOCWJP-UHFFFAOYSA-N 351.475 4.694 0 50 FJAA CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2cncc(C(C)(C)O)c2)cc1 584893880 RUFKXCKMVVAFOG-NRFANRHFSA-N 364.489 4.547 0 50 FJAA C/C(=C/c1nc(-c2cccc(OCc3cccnc3)c2)no1)c1ccco1 904502500 HDVYEWVOTYWIEL-PTNGSMBKSA-N 359.385 4.864 0 50 FJAA Cc1nc(Oc2ccc(-c3ccccc3)cc2Cl)c2cnn(C)c2n1 917387498 WNNFXEOUJMWHIP-UHFFFAOYSA-N 350.809 4.784 0 50 FJAA c1c(-c2nnc(C3CCC(OC[C@H]4CCCO4)CC3)o2)sc2c1CCC2 1349965936 XEGXETKFJQGHCJ-AVVWSFFYSA-N 374.506 4.509 0 50 FJAA Cc1cccc(COc2ccc(NC(=O)/C=C/c3cncs3)c(C)c2)c1 2325748762 FHMQVCIJWUQERX-VQHVLOKHSA-N 364.470 4.991 0 50 FJAA COc1ccc([C@@H](CC(C)C)NC[C@@H](CO)Cc2ccccc2C)cc1 2325842186 QQYRAXINNZTDOV-WMZHIEFXSA-N 355.522 4.532 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Cl)cc1C 951521 NVJCKRHJFYPDAL-UHFFFAOYSA-N 354.233 4.636 0 50 FJAA COc1cc(OC)c(NC(=O)c2cc(Cl)ccc2Cl)cc1Cl 1141258 DWBCHCQBAUTNBB-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA Cc1cc(OC(=O)c2ccco2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1144358 NIWANVHFXMIWIF-UHFFFAOYSA-N 374.392 4.813 0 50 FJAA CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@H](c1ccccc1)S3 1179975 GTNCEBSPJCHISY-JPYJTQIMSA-N 374.509 4.981 0 50 FJAA O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 1738558 KZSIKDZBNOIEGV-UHFFFAOYSA-N 370.179 4.813 0 50 FJAA O=Cc1ccc(OCCCCOc2ccc(Cl)c3cccnc23)cc1 2862596 IZOPEGGMQVXDOH-UHFFFAOYSA-N 355.821 4.939 0 50 FJAA CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)cc1 5626737 IMXYZXQAJSKCKC-AWEZNQCLSA-N 350.443 4.557 0 50 FJAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3F)C2)c1 20541709 ZXTOTOGZPXOFIF-QGZVFWFLSA-N 353.416 4.735 0 50 FJAA c1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccccc2-c2ccco2)nc1 23478468 DYQMZYJGOGKJPY-FQEVSTJZSA-N 370.456 4.695 0 50 FJAA CC/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O 34961964 LINXWSBRRJSWHL-IJVXPCIKSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)[nH]n2)s1 91625789 VAYIMOYCHRVSPW-MRXNPFEDSA-N 370.478 4.535 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 101706290 VCTLNUYPMBPRDQ-CXOVXGEYSA-N 356.293 4.702 0 50 FJAA O=C(/C=C/c1cccs1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 767135616 QJMMHBHTFCFUOF-HSBSLETESA-N 351.393 4.796 0 50 FJAA CC(C)C[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)c1cccnc1 821004164 SCVFMFVEAAMBEK-GOSISDBHSA-N 353.853 4.800 0 50 FJAA O=S(=O)(Nc1ccc(Cl)c(C(F)F)c1)c1ccc(Cl)s1 1875258595 PPRAHZSWKKTHOI-UHFFFAOYSA-N 358.218 4.793 0 50 FJAA CC(C)c1cc(O)cc(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1 1875344212 HEELDUYVJGTAAX-TWDDROGUSA-N 365.517 4.989 0 50 FJAA O=C(c1ccccc1-c1ccc(F)cc1)N1CCC(OC(F)(F)F)CC1 2356156689 MTKFGXYZDSLUDT-UHFFFAOYSA-N 367.342 4.634 0 50 FJAA Cc1cc(NC(=O)CSc2ccc(F)cc2)ccc1Br 624554 FABRADWEAVOJJA-UHFFFAOYSA-N 354.244 4.627 0 50 FJAA O=C(COc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 677710 SNBICZFIYMHDNT-UHFFFAOYSA-N 363.257 4.742 0 50 FJAA O=C(C[C@@H]1Sc2ccccc2N=C1O)Nc1cccc(C(F)(F)F)c1 712209 HKQKDMBOGKNTGK-AWEZNQCLSA-N 366.364 4.797 0 50 FJAA CC(=O)c1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 756444 KXCOCVAKJGMEDN-UHFFFAOYSA-N 355.397 4.949 0 50 FJAA Cc1c(OC(=O)c2ccccc2F)cccc1OC(=O)c1ccccc1F 825817 OIIGXUUVWCIOCC-UHFFFAOYSA-N 368.335 4.712 0 50 FJAA CCOc1ccc([C@@H]2CC(=O)n3nc(-c4cccc(C)c4)nc3S2)cc1 935555 LNTJQAWTFIXSSU-KRWDZBQOSA-N 365.458 4.530 0 50 FJAA CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 1059278 OIPFQKWGJWYDEQ-UHFFFAOYSA-N 353.349 4.515 0 50 FJAA CC1CCC(OC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 1423335 LNVAOMGKVXFAMP-UHFFFAOYSA-N 357.372 4.546 0 50 FJAA CCOC(=O)c1cc(CC)sc1NC(=O)c1c(F)cccc1Cl 2783168 HKNADJFBCOAGNO-UHFFFAOYSA-N 355.818 4.532 0 50 FJAA COc1cccc(OC)c1OCCCOc1ccc(Cl)c(C)c1C 2983914 LVDFTAYFPRBTTK-UHFFFAOYSA-N 350.842 4.822 0 50 FJAA Cc1ccccc1NC(=O)c1c(Br)sc2c1CCCC2 2999153 IPXKYUVTYUAJJO-UHFFFAOYSA-N 350.281 4.950 0 50 FJAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)OCC)c1ccccc1CC2 3894313 LBSZWGCDVZHZIZ-UHFFFAOYSA-N 354.406 4.648 0 50 FJAA COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 4553360 VRADYQACLQSYCT-UHFFFAOYSA-N 362.429 4.695 0 50 FJAA CCCCc1nc2cc(C(=O)NCc3ccc4ncccc4c3)ccc2o1 12308615 GEKQDXAVULKYSE-UHFFFAOYSA-N 359.429 4.649 0 50 FJAA CCOc1ccc(Cl)cc1/C=C1\Sc2nnc(C(F)F)n2N=C1C 20608337 TYZYJENXEWHGSC-GHXNOFRVSA-N 370.812 4.639 0 50 FJAA O=C(Nc1ccccc1Cc1cccnc1)[C@@H]1C[C@H]1c1ccc(F)cc1F 170597726 KGRRQBMBEQPJIT-RBUKOAKNSA-N 364.395 4.693 0 50 FJAA COc1cc(F)c([C@@H](C)Nc2cc(-c3cccs3)ncn2)cc1OC 1875321821 WYJYVXWUHOUHJP-LLVKDONJSA-N 359.426 4.535 0 50 FJAA Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)c(Cl)c1)C3 947492 DOQMVNGQGZWWKL-UHFFFAOYSA-N 362.212 4.765 0 50 FJAA O=C(O)c1nc(SCc2c(Cl)cccc2Cl)n2ccccc12 1040794 UIQANVXHRYRLPJ-UHFFFAOYSA-N 353.230 4.632 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1 1146352 GSBOQRRFVOBAJS-UHFFFAOYSA-N 370.861 4.835 0 50 FJAA COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(C(C)C)cc3)c2c1 2358660 GWBREUGZHUZLAS-UHFFFAOYSA-N 367.518 4.829 0 50 FJAA S=c1[nH]nc(CNc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 4619317 XSPFUUGBCGSSHB-UHFFFAOYSA-N 351.262 4.849 0 50 FJAA C[C@@H]1CCCCN1Cc1nc(NCc2cccs2)c2ccccc2n1 12135165 RUEXPPPCZVZYHO-OAHLLOKOSA-N 352.507 4.678 0 50 FJAA O=C(Nc1ccon1)c1sc2cccc(Br)c2c1Cl 16604505 GHJFTPGAZXARAX-UHFFFAOYSA-N 357.616 4.558 0 50 FJAA Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1C 28959781 BIICXZWYHQOUEQ-UHFFFAOYSA-N 368.440 4.756 0 50 FJAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 36621059 YXHMMXYQGKZYPZ-GOSISDBHSA-N 360.841 4.726 0 50 FJAA Cc1ccccc1Oc1ncccc1CNC(=O)c1c(F)ccc(F)c1F 67868506 NKZFMABPKHOJGO-UHFFFAOYSA-N 372.346 4.530 0 50 FJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2ccno2)cc1 72480380 YQYYPCBFMVMZRO-UHFFFAOYSA-N 373.456 4.839 0 50 FJAA O=C(Cc1c[nH]c2ncccc12)N(Cc1ccccc1F)C1CCCCC1 176528162 SMLQJNNZZSJBFL-UHFFFAOYSA-N 365.452 4.606 0 50 FJAA COc1ccc2[nH]c(CN3CCC[C@H](C(=O)c4cccs4)C3)c(C)c2c1 824757891 UPPCTCSBVDBBQQ-HNNXBMFYSA-N 368.502 4.641 0 50 FJAA Cc1ccc(NC(=O)OCc2ccco2)cc1NC(=O)OCc1ccco1 640745 UOHWXAZJICSLOM-UHFFFAOYSA-N 370.361 4.678 0 50 FJAA COc1ccc2oc(=O)c(-c3csc(Nc4cccc(C)c4)n3)cc2c1 1187301 SNCYQXRLHPOAFQ-UHFFFAOYSA-N 364.426 4.977 0 50 FJAA COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 1209880 PUKRRFUBJJFAPI-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA CCCCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 1778512 QDNCGZAMYDEHGG-UHFFFAOYSA-N 363.280 4.688 0 50 FJAA Cc1ccc(C(C)(C)C)c(OCCCCn2cnc3ccccc3c2=O)c1 3003819 WROMRZXIVVYEJJ-UHFFFAOYSA-N 364.489 4.862 0 50 FJAA O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1cccs1 3612169 FGABNBRHCVHXGQ-XBXARRHUSA-N 359.501 4.657 0 50 FJAA COc1cccc(CNCc2ccncc2)c1OCc1ccccc1Cl 4413567 YTCZFRKEPVOIFA-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA COc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1 4547049 UXYJJZIJCUJECM-UHFFFAOYSA-N 366.467 4.785 0 50 FJAA O[C@@H](c1ccccn1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 5162974 LUDFDSXDVJABBT-OAHLLOKOSA-N 372.268 4.749 0 50 FJAA in-vitro COc1cc(OC)c(NC(=O)Nc2cc(Cl)ccc2C)cc1Cl 17073415 JRYUYWQFSNWGIZ-UHFFFAOYSA-N 355.221 4.963 0 50 FJAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1 20603603 NDAAPUBOHXHKFU-UHFFFAOYSA-N 359.401 4.702 0 50 FJAA Oc1cccc(-c2c(-c3ccccc3)ncn2CCCNc2cccnc2)c1 65531005 GCCPLQZRWBVRPQ-UHFFFAOYSA-N 370.456 4.820 0 50 FJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C)c2)C1 95506190 KSQDAXVRTXXJJQ-QGZVFWFLSA-N 359.901 4.665 0 50 FJAA COc1cc(F)c(NC(=O)N2CCc3c(cccc3C(C)C)C2)cc1OC 241588307 PBVLTMGLEJILSH-UHFFFAOYSA-N 372.440 4.557 0 50 FJAA CO[C@H]1Cc2ccc(NC(=O)N3CCc4ccccc4[C@H]3C(C)C)cc2C1 752928010 BQURRVMWGMGICQ-RBBKRZOGSA-N 364.489 4.588 0 50 FJAA Cc1cccc2c1OC[C@@H](NC(=O)NC(C)(C)c1ccc3ccccc3c1)C2 1478760154 APHZSPZIEUMMIM-NRFANRHFSA-N 374.484 4.686 0 50 FJAA C=CC(=O)N(Cc1cnsc1)CC1(Cc2ccccc2)CCCCC1 1875386468 RBHDFQNCOKOBED-UHFFFAOYSA-N 354.519 4.851 0 50 FJAA Cc1cc(OCC(=O)Nc2cccc(F)c2)c(C)c(C)c1Br 1066629 WJPLJHLALYLQFW-UHFFFAOYSA-N 366.230 4.531 0 50 FJAA CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1088642 NNRIHWCKASZVCQ-UHFFFAOYSA-N 356.731 4.570 0 50 FJAA CSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 1191334 LFCNEMUJWOPFGR-SFHVURJKSA-N 364.474 4.887 0 50 FJAA COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 5520685 QAMKIRUZTVBZSB-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA Cc1ccc(-c2c(-c3nnc(S)n3C[C@@H]3CCCO3)csc2C)cc1 6923689 JEAXMJBYWQFVGO-HNNXBMFYSA-N 371.531 4.758 0 50 FJAA c1ccc(CSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 8990443 WZGHLONAHOANSX-UHFFFAOYSA-N 369.453 4.632 0 50 FJAA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 11842301 IDUKTILQISADCC-QHCPKHFHSA-N 364.533 4.522 0 50 FJAA CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 27640157 LLVVDFDWPQHXBA-QEJIITRLSA-N 364.526 4.916 0 50 FJAA in-vitro Cc1c(C(=O)N(C)CCn2c(C)cc3ccccc32)[nH]c2ccc(F)cc12 97334247 YAHJZHHUXQKJSP-UHFFFAOYSA-N 363.436 4.651 0 50 FJAA C[C@H](Nc1ccccc1-c1ccccc1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239434081 YYVZRCWKGPBHRM-PNJDVYOFSA-N 362.517 5.095 0 50 FJAA COc1cc2c(cc1OC)C(=Cc1ccc(Cl)cc1Cl)C(=O)OC2 2049445814 UDKCXKPFXIJZRS-UHFFFAOYSA-N 365.212 4.608 0 50 FJAA CC(C)c1nc(O)ccc1C(=O)N1CCCCC[C@H]1c1cccc(F)c1 2100539536 MYAPIVXWOQOMAL-SFHVURJKSA-N 356.441 4.807 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C(C)=O)c1C 668688 XDIXOKCAWGRKJD-UHFFFAOYSA-N 373.474 4.812 0 50 FJAA O=C(COC(=O)c1ccccc1Br)c1ccc2ccccc2c1 987253 DHIDKGRSXKISPZ-UHFFFAOYSA-N 369.214 4.642 0 50 FJAA COc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 1410862 IVXYKVLDNXKQSS-UHFFFAOYSA-N 364.470 4.974 0 50 FJAA CC(=O)[C@@H](C)Sc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2437820 CQNMPHYWOJSGON-CYBMUJFWSA-N 359.882 4.736 0 50 FJAA O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1cccc(F)c1F 2742297 OMYVEALDMQCOJM-UHFFFAOYSA-N 363.367 4.615 0 50 FJAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)c(Cl)c3)ccc12 2841004 JIGFZHZREBZQCV-UHFFFAOYSA-N 363.196 4.670 0 50 FJAA 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 4083863 WVHKCBDRQIXZLC-SPHVDITISA-N 360.494 4.582 0 50 FJAA biogenic CCC(=O)Oc1cccc2ccc(/C=C/c3ccc(C(=O)OC)cc3)nc12 5013678 FXIFHCQQCPIWGF-UKTHLTGXSA-N 361.397 4.507 0 50 FJAA CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1c(F)cccc1Cl 8587043 OJHBIUMMDSOMIZ-LJQANCHMSA-N 371.843 4.561 0 50 FJAA Cc1ccc(-c2cncnc2[C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)cc1 11787920 XKGAHVYRHFXIDR-PMACEKPBSA-N 361.489 4.514 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 17160682 NFHOSEHMPCGNHX-UHFFFAOYSA-N 368.506 4.958 0 50 FJAA COc1ccc2cc([C@H]3CN(CCC(F)(F)C(F)F)CCO3)ccc2c1 71735972 SMWNDIHGFQCLNL-QGZVFWFLSA-N 371.374 4.512 0 50 FJAA Cc1cc(C(=O)N(C)[C@H](c2ccccn2)C2CC2)c2ccc(C)c(C)c2n1 77424579 IXHBQDXVJLOFQF-QFIPXVFZSA-N 359.473 4.778 0 50 FJAA CC[C@H](C)[C@@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 334161484 ZTPHNJFWVFYKDE-FFZOFVMBSA-N 366.509 4.855 0 50 FJAA COc1ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc2c1 958107 IUJKCSAKBZHNDT-UHFFFAOYSA-N 350.292 4.921 0 50 FJAA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(Br)cc1 1065349 CAIYVQATLHFILK-CQSZACIVSA-N 365.267 4.593 0 50 FJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F 1139805 RGRYCPOZRMWLCK-VIFPVBQESA-N 372.621 4.648 0 50 FJAA COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 1209731 OLPAMXIAMCEIPY-UHFFFAOYSA-N 374.396 4.770 0 50 FJAA biogenic C/C=C/c1ccc(OCCOC(=O)Nc2cc(C)ccc2OC)c(OC)c1 2141402 DIRCASIORYQLNJ-AATRIKPKSA-N 371.433 4.673 0 50 FJAA CC(=O)Nc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 2881099 CIEZALUPKIATRB-UHFFFAOYSA-N 358.441 4.683 0 50 FJAA COc1ccc(OCCCOc2cc(C)c(C)cc2Br)cc1 2985907 CMFZORWHEZZBEG-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA Cc1cc(C)c(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c(C)c1 8607726 HBIZNBZNVYIYMP-UHFFFAOYSA-N 374.488 4.798 0 50 FJAA COc1ccccc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 11692883 CNBFDEVJWNMBIB-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA Cc1oc(-c2ccsc2)nc1CN(C)Cc1cccc(-n2cccn2)c1 11873774 MFDNGJSRWWOFFO-UHFFFAOYSA-N 364.474 4.529 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)on1 47266776 MXFOQNPBMQYKAX-HNNXBMFYSA-N 356.809 4.874 0 50 FJAA c1ccc(-c2ncn([C@H]3CCOC3)c2-c2c[nH]nc2C2CCCCC2)cc1 67935450 RYVREMMSTFYTPN-SFHVURJKSA-N 362.477 4.949 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2c1 77489846 QDFSJBQLXWZSBP-QFIPXVFZSA-N 359.473 4.724 0 50 FJAA O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 169754638 WGMKRLUNCOFJNZ-INIZCTEOSA-N 371.799 4.506 0 50 FJAA Cc1c(SCC(=O)Nc2ccc(Cl)cc2)c(O)nc2ccccc12 253537465 AUNCTJDARQCZMG-UHFFFAOYSA-N 358.850 4.633 0 50 FJAA CCN(Cc1ccc(C)o1)C(=O)c1cccc(CN2CCCCCC2)c1 426530769 HUWIJJZTMMGCSG-UHFFFAOYSA-N 354.494 4.626 0 50 FJAA CCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1Cl 446349937 FPMOEQYXMZJQMU-UHFFFAOYSA-N 374.868 4.613 0 50 FJAA Cc1cc(NC(=O)c2ccc3cccc(Cl)c3n2)n([C@@H](C)C2CC2)n1 1529095605 RABJVZWMAMSMRO-LBPRGKRZSA-N 354.841 4.616 0 50 FJAA Cc1cc(Cl)cc(-c2cncc(OC(C)C)c2)c1OC1CCNCC1 1875330165 QTJQGXVSOANALN-UHFFFAOYSA-N 360.885 4.628 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccs1 724607 WOFQINDLSKGJSB-UHFFFAOYSA-N 365.694 4.835 0 50 FJAA O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 860693 QMJYLUHPTRCYFE-UHFFFAOYSA-N 369.420 4.636 0 50 FJAA COc1cccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c1 995166 ZDZDYZBSKJCFGQ-UHFFFAOYSA-N 360.457 4.973 0 50 FJAA CC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(F)cc1 2222062 NQVKLAJMQKOKIU-OAQYLSRUSA-N 351.421 4.989 0 50 FJAA Cc1cc(OCC(=O)Nc2cc(Cl)ccc2C)ccc1Br 2493658 CWUNWXCLFJASPE-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cc1ccc(NC(=S)Nc2cnn(Cc3ccccc3C)c2)cc1C 2798733 GAXAKQHWUGYMPN-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA O=C(NCCc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1 2876513 QJNNMRVUMHYHGV-UHFFFAOYSA-N 359.347 4.938 0 50 FJAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)N(c1ccccc1)c1ccccc1 3190611 XCTRFNZSTRTXEH-QFIPXVFZSA-N 373.452 4.773 0 50 FJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)NCCc2ccccc2)cc1 4595378 ONNQCVJTTVXIRQ-XMMPIXPASA-N 369.508 4.968 0 50 FJAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 4980298 TXPIKTHCMKXRPK-OAHLLOKOSA-N 366.402 4.598 0 50 FJAA CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 13745390 IAEOCDKZZPBIBT-LBPRGKRZSA-N 363.255 4.731 0 50 FJAA COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccccc2C)no1 36619719 ZJWQBIFXZIBBEG-LJQANCHMSA-N 362.429 4.636 0 50 FJAA Clc1ccc2[nH]c(-c3ccccc3OCCCn3ccnc3)nc2c1 67739511 ZZWQFLRUARJMBE-UHFFFAOYSA-N 352.825 4.549 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1C 239025594 BVYQQUAKLMRBDS-LVNJIZSUSA-N 361.441 4.631 0 50 FJAA COc1ccc(CO[C@@H]2[C@H]3CC[C@@H]([C@H]4CCC(C)(C)[C@@]42O)C3(C)C)cc1 257358942 XLOOCWUKUKOMND-AAGQGRHCSA-N 358.522 4.814 0 50 FJAA CC(C)c1nn(C)cc1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1 280652539 CJGNFSROPWSWCM-UHFFFAOYSA-N 358.873 4.518 0 50 FJAA CC[C@@H](NC(=O)c1cc(N2CCCCC2)ccc1Cl)c1ncccc1C 299768224 ITRFRSRUNNHROQ-LJQANCHMSA-N 371.912 4.915 0 50 FJAA C[C@H](c1cccc(CN(C)Cc2ccccc2CN2CCCC2)c1)N(C)C 823712724 JJISHQRCLHEAKU-HXUWFJFHSA-N 365.565 4.537 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NCc1cccc(CN(C)C)c1 2325862826 JYYFQLVGQDLAMX-UHFFFAOYSA-N 364.489 4.767 0 50 FJAA COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1OC 666791 QOOYNBDUQRYVHV-UHFFFAOYSA-N 357.793 4.870 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1I 675359 XZWLEOXWEHYHHN-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(N)cc2s1 693195 BHMSGONTSWNEOX-UHFFFAOYSA-N 363.895 4.571 0 50 FJAA COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 1100349 FBTQFXNCCNXYOF-UHFFFAOYSA-N 373.861 4.816 0 50 FJAA Cc1cc(C)nc(NC(=O)Nc2ccc(Br)cc2Cl)c1 1122028 CWNGFNQJNYPECO-UHFFFAOYSA-N 354.635 4.758 0 50 FJAA COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(OC)c1 1158744 CIZAIUNCYIJOCB-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]32)cc(OC)c1OC 35360412 AQBBFSKOSSOTID-NQERJWCQSA-N 369.461 4.655 0 50 FJAA CC(C)(C)c1cc(Oc2nn3c(=O)ccnc3s2)cc(C(C)(C)C)c1 170595472 KOKLNNNCIAGAOL-UHFFFAOYSA-N 357.479 4.538 0 50 FJAA Cc1cc(C)nc(-c2ccc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2)c1 534630539 SHMCEJPRMXUWGZ-QHCPKHFHSA-N 374.484 4.561 0 50 FJAA CC1CCC([C@](O)(CNCc2ccc3c(c2)CCCC3)C(F)(F)F)CC1 2325841661 CIWWJOADMLJJJQ-RGKRWLCDSA-N 369.471 4.775 0 50 FJAA CCc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)cc1 669212 JJCNZBPIJBSQAG-UHFFFAOYSA-N 367.452 4.789 0 50 FJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[C@H](C)C2 943484 XAKPQEHSKQQWKB-WONIAPNHSA-N 369.486 4.702 0 50 FJAA Cc1cc(OCc2ccc(F)cc2Cl)c2c3c(c(=O)oc2c1)CCC3 1162491 QGHZIFVWZURMSE-UHFFFAOYSA-N 358.796 4.962 0 50 FJAA O=C(Nc1nncs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2744959 VJOFGKJZODFBKB-UHFFFAOYSA-N 372.862 4.721 0 50 FJAA Cc1cccc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)c1C 2807856 XFGRDKFADXLOHV-UHFFFAOYSA-N 367.449 4.630 0 50 FJAA CC(=O)c1cccc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 11879803 SUQWRZDCSHBFGR-HSZRJFAPSA-N 373.500 4.859 0 50 FJAA Cn1nc(-c2ccc(F)cc2)cc1NC(=O)c1cc2ccccc2s1 12427789 HNGCQIGKLXIDIF-UHFFFAOYSA-N 351.406 4.693 0 50 FJAA CCC[C@@H](C)c1nnc(NC(=O)N2CC=C(c3ccccc3)CC2)s1 19146675 PETKWXVGYJUCFP-CQSZACIVSA-N 356.495 4.763 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)on1 33269990 KYHRMFJCCQVMEM-QGZVFWFLSA-N 369.396 4.569 0 50 FJAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 71755345 RUFLTTSCOSHUBY-LJQANCHMSA-N 373.500 4.870 0 50 FJAA NCC[C@H]1CCCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C1 96163146 OYNGRBLYDJPGEN-OAHLLOKOSA-N 357.885 4.600 0 50 FJAA CCCC[Sn](CCCC)(CCCC)C1=CC(=O)OC1 169822357 SFOGKNHRVGTLCF-UHFFFAOYSA-N 373.125 4.858 0 50 FJAA O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@@H]1C[C@H]2CC[C@H]1C2 250236404 KFSZYCSMNNWDMM-GMXVVIOVSA-N 364.417 4.786 0 50 FJAA Cc1csc(NC2CCN(C(=O)Nc3ccc(C4CC4)c(F)c3)CC2)n1 252492036 MBEPJJACJUDIGA-UHFFFAOYSA-N 374.485 4.576 0 50 FJAA Cc1sc2nc([C@@H](C)N3CCC[C@H]3c3ccsc3)nc(O)c2c1C 253531057 SFQSUEAQEVWPDA-RISCZKNCSA-N 359.520 4.973 0 50 FJAA c1ccc(OC[C@@H]2[C@H]3[C@@H]4CC[C@H]5[C@@H]6[C@H]7CC[C@@H]8[C@H]7[C@@H]7[C@H]([C@H]3[C@H]([C@H]54)[C@@H]76)[C@@H]82)cc1 257355696 CAULSJQBACQMOW-SYKKRCRZSA-N 358.525 4.978 0 50 FJAA O=C(Nc1cccc2c1CCC2)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 299762442 VKAXQDDYZQJIOR-IBGZPJMESA-N 364.424 4.560 0 50 FJAA COc1nscc1[C@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1875328792 NAFDTPMBJWMUFN-ZDUSSCGKSA-N 354.479 4.525 0 50 FJAA Cc1cccc(C[C@H](CC(=O)O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 985977 FQLFYVDQXMXCFA-CYBMUJFWSA-N 366.244 4.574 0 50 FJAA COc1ccc(OCc2nc3ccccc3n2CCOc2ccccc2)cc1 1166258 CCHZCZLGVIFXOV-UHFFFAOYSA-N 374.440 4.703 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1C 1184904 USSLNROMYGMTDW-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCCCN(CCCC)C(=S)NC(=O)c1ccc(Cl)cc1Cl 1793977 VAAFXVAWGHFNSD-UHFFFAOYSA-N 361.338 4.910 0 50 FJAA CCOc1cccc(OCCOCCOc2cc(C(C)C)ccc2C)c1 4701925 CICGCIZNTONBJP-UHFFFAOYSA-N 358.478 4.992 0 50 FJAA C[C@H](N/C=C(/C(=O)N[C@@H](C)c1ccccc1)C(F)(F)F)c1ccccc1 5285708 WQORNXYVQAVJIS-GAKZUBPLSA-N 362.395 4.661 0 50 FJAA Cc1ccccc1Oc1c(C(F)(F)F)oc2c(C)c(O)ccc2c1=O 5648556 AWLUDJOSHLDZNA-UHFFFAOYSA-N 350.292 4.927 0 50 FJAA Cc1c(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc2n1C 9423499 XGBOMHZFGBKDJO-UHFFFAOYSA-N 363.442 4.512 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1cccc2cnccc12 12313988 GCVZUSNBKMBZMD-NRFANRHFSA-N 372.447 4.727 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 13125998 HPLQXQMAOFYMSV-UHFFFAOYSA-N 374.396 4.526 0 50 FJAA biogenic,in-vitro CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c2cccnc12 32622591 WZFHFLDBOFEVNX-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1Cc1cc(C(C)C)no1 67817637 JABVCDSWSFHILA-UHFFFAOYSA-N 361.449 4.717 0 50 FJAA Cc1ocnc1C(=O)NCc1ccc2[nH]c(-c3ccc(F)cc3)c(C)c2c1 71662162 GCRWDAQIELJMQA-UHFFFAOYSA-N 363.392 4.509 0 50 FJAA Cc1ccc2[nH]c(C(=O)N(C)Cc3cc(-c4ccccc4)no3)c(C)c2c1 72409740 NCYZGIKJGHKQLO-UHFFFAOYSA-N 359.429 4.712 0 50 FJAA CN(Cc1ccno1)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72454447 YPVUQTPPIJTNRA-UHFFFAOYSA-N 365.820 4.749 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)cc1 77453519 ACZHQARTWWVWFJ-QHCPKHFHSA-N 373.500 4.664 0 50 FJAA COc1ccc(-c2ccccc2)cc1NC(=O)N(C)CC[C@H]1CCCCO1 95531780 CSCOMHYENGLWKY-LJQANCHMSA-N 368.477 4.785 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 96027855 DOMLQNJBAMPKKT-TXTKFYIRSA-N 352.522 4.751 0 50 FJAA CCCC[Sn](CCCC)(CCCC)c1ccncn1 169747736 HQMLIWXIPSYXMY-UHFFFAOYSA-N 369.141 4.533 0 50 FJAA COc1ccccc1NCc1ncc(-c2ccccc2Br)o1 172845851 HSLRLVOEDZJYSJ-UHFFFAOYSA-N 359.223 4.725 0 50 FJAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 184520516 JDFOUXGGWPVDCL-SNVBAGLBSA-N 370.877 4.906 0 50 FJAA CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)nc1 823394731 AJCPJFHGSOZOIL-UHFFFAOYSA-N 364.401 4.534 0 50 FJAA O=C(Nc1cnc2c(c1)CCC2)N1CCC(c2cccc3cnccc23)CC1 1875264069 MMFMWEUPKRPSFO-UHFFFAOYSA-N 372.472 4.530 0 50 FJAA Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2-n2nc(C)cc2C)cc1 2050025185 YKLWRCHGXQKXQK-UHFFFAOYSA-N 372.428 4.705 0 50 FJAA C[C@H](Cc1cccnc1)OC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 2325725143 MAAULYFTCXOCSE-MYSGNRETSA-N 368.433 4.532 0 50 FJAA CCOc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1 979548 XYVLKOOWKRWITD-UHFFFAOYSA-N 372.421 4.719 0 50 FJAA COc1ccccc1O[C@@H](C)C(=O)c1ccc(OCc2ccccc2)cc1 993412 CRKVPGCQGXFDCZ-KRWDZBQOSA-N 362.425 4.924 0 50 FJAA c1ccc(CSc2nnc3n(-c4ccccc4)c4ccccc4n23)cc1 1050814 LDIUIRRJTLICIX-UHFFFAOYSA-N 356.454 4.966 0 50 FJAA CC1CCN(Cn2c(=S)n(CN3CCC(C)CC3)c3ccccc32)CC1 1157890 CLXCLHDSNCCGRK-UHFFFAOYSA-N 372.582 4.551 0 50 FJAA CC(C)c1cc(I)ccc1NC(=O)c1ccccc1 1164095 MAAGIOOCFUKYCD-UHFFFAOYSA-N 365.214 4.667 0 50 FJAA CC(C)(C)c1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)cc1 1398985 ABCFHBLEYYCQHT-UHFFFAOYSA-N 366.486 4.535 0 50 FJAA aggregator CC(C)Oc1ccccc1/C=C1/N=C(c2cccc3ccccc23)OC1=O 2753198 MDDYZDOXFOZYNV-XSFVSMFZSA-N 357.409 4.972 0 50 FJAA Cc1ccccc1Cn1cc(NC(=O)c2ccc(Cl)cc2Cl)cn1 2767201 SBNLSCYLBIXKHK-UHFFFAOYSA-N 360.244 4.799 0 50 FJAA CCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 3959410 NHHDLIDLZHKDBI-UHFFFAOYSA-N 352.217 4.813 0 50 FJAA O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1 4700897 WIHRFNNSKIZHAF-UHFFFAOYSA-N 365.776 4.501 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1 4820785 ALHIBRXXZJXTIM-UHFFFAOYSA-N 370.880 4.584 0 50 FJAA COc1cccc(-n2c([C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]c2=S)c1 5423633 HYWPIDHLCBKOFI-JKSUJKDBSA-N 357.866 4.863 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 12138459 JZWSRNBLDDJBJS-UHFFFAOYSA-N 370.880 4.537 0 50 FJAA Cc1sc(NC(=O)C[C@H](C)CC(=O)O)nc1-c1ccc(C(C)(C)C)cc1 17076667 IJTMRWAXJNHYLA-LBPRGKRZSA-N 374.506 4.855 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)c(C)c1 20607102 CPMNAEYJUMPUPP-CQSZACIVSA-N 351.475 4.621 0 50 FJAA CCC(CC)N(CC)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)cccc12 63883239 WBKHVNQQFVEIBY-UHFFFAOYSA-N 364.493 4.594 0 50 FJAA Cc1cc(NCc2cc(-c3ccccc3Cl)no2)n2nc(C)c(C)c2n1 72408841 ICZQJVBPXDVPDD-UHFFFAOYSA-N 367.840 4.575 0 50 FJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC[C@](CO)(CC2CC2)C1 91746660 WTIJPBQSFXKHJJ-QHCPKHFHSA-N 367.464 4.508 0 50 FJAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(F)ccc2OC(C)C)cs1 188848171 IDYDQKFKJDMFOG-INIZCTEOSA-N 363.458 4.747 0 50 FJAA O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc2ccccc2oc1=O 253421786 WMASOLRWDPCXSE-IBGZPJMESA-N 367.832 4.718 0 50 FJAA Cc1ccc2[nH]c([C@@H]3CCCN3Cc3cn4cc(Cl)ccc4n3)nc2c1 253428431 JTETUSAQFAXGLZ-SFHVURJKSA-N 365.868 4.510 0 50 FJAA CC(=O)c1sccc1-c1cccc(C(=O)N(C)CC[C@H]2CCCCO2)c1 426421821 JVWTVVUSLKPXNK-GOSISDBHSA-N 371.502 4.649 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3c3nccs3)o2)cc1 824689233 GERRWVADNOWMDB-INIZCTEOSA-N 368.458 4.779 0 50 FJAA O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1CCc1cccs1 952988916 AIOSQNBJMFQKGY-GOSISDBHSA-N 365.502 4.561 0 50 FJAA Cc1ccc(-c2nnc([C@@H](C)OC(=O)CSc3cccc(F)c3)o2)cc1 2325822694 JLLBXLRHLXCNPF-CYBMUJFWSA-N 372.421 4.581 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 2325862792 IYASLBBZZOXTIL-PKOBYXMFSA-N 368.521 4.770 0 50 FJAA Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)[C@H]3CCCO3)c3ccccc32)cc1 686895 QOFKWWKJHDRNGC-ZJSXRUAMSA-N 363.501 4.995 0 50 FJAA O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1ccccc1 1057318 MOXXAOLSVFWWTC-HXUWFJFHSA-N 353.377 4.543 0 50 FJAA COc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1 4724470 ODZBAPZDTGQSRJ-UHFFFAOYSA-N 363.482 4.918 0 50 FJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1F 4821495 AOFGQBSCFJMSPN-UHFFFAOYSA-N 373.815 4.580 0 50 FJAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccsc2)C1 12028800 BCNMNIXIOFVLBE-ZDUSSCGKSA-N 367.392 4.502 0 50 FJAA CC(=O)c1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)c1 12093034 RQGCTGUNRVDCKC-QFIPXVFZSA-N 373.500 4.878 0 50 FJAA C[C@@H]1CN(CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 20166804 HVDDKMIHPYAPGZ-HZPDHXFCSA-N 353.934 4.906 0 50 FJAA CN1CCCC[C@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45284908 MOBWRRIAIHYXLB-INIZCTEOSA-N 352.522 4.991 0 50 FJAA in-vitro Cc1oc(-c2ccccc2F)nc1CN1CCC[C@H]1c1nc(C(C)C)no1 77301699 OUEMQKNUFWPTFE-KRWDZBQOSA-N 370.428 4.633 0 50 FJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 95366388 DSIGOUPXLWWZNH-GOSISDBHSA-N 365.477 4.758 0 50 FJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCO[C@@H]1c1ccccc1 170591284 GULXEYVMEVZLMY-CXAGYDPISA-N 366.244 4.805 0 50 FJAA O=C(c1cnc2c(c1)CCCC2)N(Cc1c(F)cccc1Cl)C1CC1 215107467 RIYFOQYCGQQGBZ-UHFFFAOYSA-N 358.844 4.558 0 50 FJAA COc1ccc(-n2nc(C(=O)O[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2C)cc1 1352369483 GGZNMNFOLFFAQG-SQGPQFPESA-N 368.477 4.705 0 50 FJAA Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2ccco2)cc1 637806 DZYITXMCRDTSGD-HXUWFJFHSA-N 372.417 4.515 0 50 FJAA Cc1ccc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1 662462 LRDYNRRPMVACDH-QFIPXVFZSA-N 364.466 4.783 0 50 FJAA COc1ccccc1CCNC(=O)c1csc(C)c1-c1ccccc1 1056181 YMSNYQUUQZHSKR-UHFFFAOYSA-N 351.471 4.705 0 50 FJAA COc1ccc(C(=O)Oc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 1159441 NEPUDIDXVMPIPV-UHFFFAOYSA-N 368.385 4.534 0 50 FJAA biogenic O=c1c2cccnc2n(-c2ccccc2)n1Cc1c(Cl)cccc1Cl 1397113 ZQVGQBGNWOWBKU-UHFFFAOYSA-N 370.239 4.542 0 50 FJAA COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1cccs1 4413548 UEGSAZIUMUIBNU-UHFFFAOYSA-N 374.893 4.674 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 4852923 PVEPTSNJPWLFHR-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1cc(C)n(-c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)n1 5271642 ZHZGLVHLHPMGKQ-UHFFFAOYSA-N 365.440 4.866 0 50 FJAA Cc1ccc(C)c([C@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=N)c1 17073406 NCGVGFCPFWKDIH-ZDUSSCGKSA-N 354.837 4.674 0 50 FJAA CCOc1cc(CN(C)[C@@H](C)c2ccon2)c(Cl)cc1OC(C)C 55225879 BYEBYOUPYNPWDH-ZDUSSCGKSA-N 352.862 4.707 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nn1 65363818 RKGCPKZJDSMODC-UHFFFAOYSA-N 356.788 4.573 0 50 FJAA C[C@@H](c1cccs1)N(C)Cc1cccc(C(=O)Nc2ccncc2F)c1 67867524 RICKMYFOEPKRGH-AWEZNQCLSA-N 369.465 4.728 0 50 FJAA O=C1CCCCN1c1cccc(NCc2cccc(-c3ccncc3)c2)c1 156599134 WJXPFEKRCHDISO-UHFFFAOYSA-N 357.457 4.878 0 50 FJAA Cc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3C3(CCCCC3)C2)cc1 211586764 SFRYOACXNICWQH-UHFFFAOYSA-N 369.530 4.710 0 50 FJAA O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 247759519 ZTRBOBVGGNZMJG-WTBHFOSASA-N 358.485 4.875 0 50 FJAA COCC1(COC)[C@H](c2ccccc2)C[C@@H](OC)C[C@@H]1c1ccccc1 254387370 NUHARMJHXGEBKE-KOUNCHBCSA-N 354.490 4.642 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N2CCC[C@H](CO)C2)cc1 299779485 RRJGZSQGKIGVBH-SFHVURJKSA-N 370.518 4.524 0 50 FJAA CCCN(Cc1ccsc1)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 584893767 KUJNOZCBXKYNLI-CYBMUJFWSA-N 350.459 4.579 0 50 FJAA Cc1nnc(-c2ccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2)c2ccccc12 584898863 ZFUWHZGTOGCVKE-BGYRXZFFSA-N 369.468 4.643 0 50 FJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2ccccc2c1 1124251 XOJZKBQRFDQLMF-UHFFFAOYSA-N 371.440 4.660 0 50 FJAA Cc1ccc2nsnc2c1NC(=O)C(c1ccccc1)c1ccccc1 1194121 HCTIJFKNHCFPCC-UHFFFAOYSA-N 359.454 4.770 0 50 FJAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)ccc2nsnc12 4736585 PRRYHPMMAUKYGZ-UHFFFAOYSA-N 368.245 4.567 0 50 FJAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 12457690 IXPZRYIYTKXYMI-AWEZNQCLSA-N 360.816 4.606 0 50 FJAA COc1cccc2c1OCCCN(Cc1nc(-c3cccs3)oc1C)C2 12459071 UMAKSBLUPZDKSN-UHFFFAOYSA-N 370.474 4.505 0 50 FJAA C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc5ccccc45)cn1c23 33088849 JAPLAYPJBKGGJQ-AWEZNQCLSA-N 354.409 4.524 0 50 FJAA OCCn1cnc(-c2ccccc2)c1-c1ccc([C@H]2CCCCO2)s1 65387427 HZMPZGCELSKZQP-MRXNPFEDSA-N 354.475 4.513 0 50 FJAA CSc1ccc2c(C)cc(N3Cc4cnc(CC(C)C)nc4C3)nc2c1 67446910 WIQQAIRKXRNEPW-UHFFFAOYSA-N 364.518 4.774 0 50 FJAA Cc1nn(CC(C)C)c2sc(C(=O)Nc3cnc4ccccc4c3)cc12 170634345 DBJRXNVQHKQEOP-UHFFFAOYSA-N 364.474 4.863 0 50 FJAA Cc1nc([C@@H]2CCCN2C(=O)NCC2(c3ccc(F)cc3)CCC2)cs1 186713447 FMOOWYDVQJBDJL-SFHVURJKSA-N 373.497 4.559 0 50 FJAA Cc1cc([C@@H]2CCCCN2Cc2cccc(OCc3ccccn3)c2)no1 216537686 VSJDHBRWSXJDEF-QFIPXVFZSA-N 363.461 4.684 0 50 FJAA COCc1ccc(NC(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1 239672498 BTLRKBCJXMIXFT-UHFFFAOYSA-N 353.447 4.909 0 50 FJAA c1ccc2c(Oc3ccc(-n4cccn4)cc3)nc(-c3ccncc3)nc2c1 301349016 ICJIHCXCFKGSER-UHFFFAOYSA-N 365.396 4.670 0 50 FJAA Cc1cc(C)cc(OCC(=O)Oc2ccc(N3CCCCC3)c(Cl)c2)c1 1460983764 GMIGTXHIEDXRDD-UHFFFAOYSA-N 373.880 4.932 0 50 FJAA Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCC[C@H]2CCCN21 2325841766 FPRHKHZCTKMYEN-UGKGYDQZSA-N 363.505 4.563 0 50 FJAA COc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)c1 949216 SYBAGEMNMYVOBQ-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA biogenic C[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1ccccc1O 1175210 CFWPSADUAIPBNB-GCJKJVERSA-N 359.469 4.662 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccnc3)nc2c1 1185729 ZLKSNJCFDVSDQZ-UHFFFAOYSA-N 363.804 4.724 0 50 FJAA O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccccc2)CC1 1226003 DGCUSJTUNHYODF-UHFFFAOYSA-N 356.878 4.517 0 50 FJAA Cc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1794270 MBMJUXUNSMUTSW-UHFFFAOYSA-N 352.261 4.777 0 50 FJAA c1cc(C[n+]2csc3ccccc32)cc(C[n+]2csc3ccccc32)c1 2870859 CHJMIEPLUBHNIC-UHFFFAOYSA-N 374.534 4.788 0 50 FJAA CCCCOC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 2937609 KMMFAFQXZWUFDT-UHFFFAOYSA-N 372.309 4.754 0 50 FJAA Cc1ccc(C(=O)Oc2ccc(-c3nccc(-c4ccccn4)n3)cc2)cc1 4049757 JYYKUMDZLIJHRA-UHFFFAOYSA-N 367.408 4.733 0 50 FJAA Cc1cccc(C)c1N1CCc2cnn(C(=O)Nc3ccc(Cl)cc3)c21 4560646 JBBWFYWFNRXPND-UHFFFAOYSA-N 366.852 4.928 0 50 FJAA C/C(=C\c1ccccc1)CN1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 4725579 KKKWPCQEYDOALJ-XJZVHDHVSA-N 362.517 4.679 0 50 FJAA S=C(NCc1ccccc1)Nc1ccn(Cc2cccc3ccccc23)n1 17076339 GFVLGEAQEYBLBW-UHFFFAOYSA-N 372.497 4.571 0 50 FJAA Cc1cc(Cn2ccc(-c3cccc(-c4ncccc4Cl)c3)n2)no1 19606551 KJPUXBAZDUXPDN-UHFFFAOYSA-N 350.809 4.610 0 50 FJAA O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@H]1c1cccs1 35561767 ZIZBKIYFPSLRLL-HNNXBMFYSA-N 358.463 4.669 0 50 FJAA O=C([C@H]1CCOc2ccccc21)N(CC1CCCCC1)c1ccccn1 157549160 LSAUIUNTOYTXAE-IBGZPJMESA-N 350.462 4.561 0 50 FJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 239672770 BVDPOOBPQDIQEU-CYBMUJFWSA-N 357.404 4.739 0 50 FJAA COC[C@@H](C)C1CCN(C(=O)C2(Nc3ccc(C)cc3)CCCCC2)CC1 1506420108 UROCMYUWNCXAKQ-LJQANCHMSA-N 372.553 4.631 0 50 FJAA CSc1ccc2c(C)cc(NCCC(=O)NC3CCCCC3)nc2c1 1704347918 IBODZJAALAPWGR-UHFFFAOYSA-N 357.523 4.516 0 50 FJAA CCCN1CCC[C@@H](n2ccnc2-c2cccc(CC(F)(F)F)c2)C1 1857712237 UEGBVOIOWIEQOV-QGZVFWFLSA-N 351.416 4.702 0 50 FJAA CN1CC[C@H](NCc2ccc(N(C)c3ccccc3)nc2)c2ccccc21 2325747752 YENAGYDAABOUHN-NRFANRHFSA-N 358.489 4.520 0 50 FJAA CC1(C)CC(=O)c2sc(NC(=O)c3c(Cl)cccc3Cl)nc2C1 795402 COMNNQMOEKQRQQ-UHFFFAOYSA-N 369.273 4.857 0 50 FJAA O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1cccs1 970539 KEMKMCKNVAQPGL-UHFFFAOYSA-N 368.483 4.803 0 50 FJAA COc1c(C)cccc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 1070639 NOJQQORAVPPHBA-UHFFFAOYSA-N 358.869 4.900 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 1115495 WWCDUOBVFJBSER-DTQAZKPQSA-N 372.424 4.599 0 50 FJAA CCC(=O)Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1 1135998 AQXDXDYGRPRYCX-UHFFFAOYSA-N 359.425 4.982 0 50 FJAA CC(=O)[C@H](C)Sc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2437818 CQNMPHYWOJSGON-ZDUSSCGKSA-N 359.882 4.736 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)c1 2594986 PXZRPZXICYPOFS-UHFFFAOYSA-N 350.443 4.870 0 50 FJAA COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 2998340 YKZUZIZPYXRCMB-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA O=C(CC(=O)c1cnc(Nc2ccccc2Cl)s1)Nc1ccccc1 3029779 LVIUAXWGKRCGJF-UHFFFAOYSA-N 371.849 4.752 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(F)cc2)c1 4841342 DLDRXQRIMKADLD-UHFFFAOYSA-N 362.404 4.568 0 50 FJAA Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1C 8291703 SBGJNRKTKAXSHJ-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA O[C@H](c1ccccc1)c1nc2ccccc2n1CCCCOc1ccccc1 13815031 PXKXPRPPYBMZKA-HSZRJFAPSA-N 372.468 4.977 0 50 FJAA CCC[C@@H](c1nccn1C)n1cnc(-c2ccccc2)c1-c1cccnc1 65404777 QWMUOXAQGPPDMB-IBGZPJMESA-N 357.461 4.735 0 50 FJAA Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCCC(=O)N(C)C)c1 65535785 ORLVMKVPQSBINT-UHFFFAOYSA-N 365.452 4.533 0 50 FJAA COC[C@@H]1CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72411285 GIRUEGOLMYCBFO-INIZCTEOSA-N 368.864 4.739 0 50 FJAA Cc1ccc(N2CCN(C(=O)Nc3cccc4nc(C)ccc34)[C@@H](C)C2)cc1 96140223 QEJXEFMWWQCTKJ-SFHVURJKSA-N 374.488 4.594 0 50 FJAA CC(C)c1nccn1Cc1cccc(NC(=O)Cc2ccc(Cl)s2)c1 193628341 DTMSOKUJCKQJCZ-UHFFFAOYSA-N 373.909 4.951 0 50 FJAA Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2C)ccc1Cl 243492891 NQWJTCBSKBHSLQ-UHFFFAOYSA-N 374.687 4.520 0 50 FJAA Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@H]1CCN2CCCC[C@H]12 462870068 YSEOOMHSDYMMNT-ZWKOTPCHSA-N 357.885 4.550 0 50 FJAA CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cccc(Cl)c2Cl)C1 464774999 NDPOVBDKFJVYAU-NWDGAFQWSA-N 361.338 4.538 0 50 FJAA C[C@@H](c1cccc(CN(C)Cc2ccccc2CN2CCCC2)c1)N(C)C 823712723 JJISHQRCLHEAKU-FQEVSTJZSA-N 365.565 4.537 0 50 FJAA C[C@H]1C[C@H](NC(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CO1 1875343776 UJQCDIBLMKSYCI-XOBRGWDASA-N 364.316 4.914 0 50 FJAA COc1ccc(-c2ccc(-c3nccn3C[C@H](C)OC)c(C)c2)cc1F 2356146376 CRXXCKHARILPLQ-HNNXBMFYSA-N 354.425 4.708 0 50 FJAA Cc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1 853349 WCFVPEYROOCQPO-UHFFFAOYSA-N 364.430 4.516 0 50 FJAA in-vitro Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)OC(C)C)c1C 1200866 WCCLLEPYGOIZSS-UHFFFAOYSA-N 351.855 4.836 0 50 FJAA CCCCCOc1ccc(/C=C/C(=O)NCc2ccccc2)cc1OC 1799556 ISIWJCSHINZWDI-WYMLVPIESA-N 353.462 4.594 0 50 FJAA CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 4818988 OKINMRFGVREILB-UHFFFAOYSA-N 366.244 4.994 0 50 FJAA CCCN(CCC)C(=O)c1ccccc1NC(=O)c1ccccc1Cl 5073657 SIRUTDMTMAKAAO-UHFFFAOYSA-N 358.869 4.855 0 50 FJAA Cc1ccccc1Cn1ccc(NC(=S)Nc2ccccc2Cl)n1 8571203 OWWKKVXWZYPALX-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA CC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2Cl)no1 12381607 CWYOLUOVCCRVSJ-UHFFFAOYSA-N 357.635 4.640 0 50 FJAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cn(C3CCCCCC3)nn2)C1 12438279 BLQXQNYEVYKMMX-GOSISDBHSA-N 366.509 4.502 0 50 FJAA CCOc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 12575462 VRCVATNTWXYAJU-OAHLLOKOSA-N 353.441 4.569 0 50 FJAA Clc1cccc(-c2noc(CN3CCC[C@@H](c4ccccc4)C3)n2)c1 20598246 ILJWZMYJAWUNOA-QGZVFWFLSA-N 353.853 4.770 0 50 FJAA Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)c1 21790941 GYJQLJMKAMBDGE-LJQANCHMSA-N 350.393 4.766 0 50 FJAA Cc1cc(/C=C2/SC(=N)NC2=O)c(-c2ccccc2)n1-c1ccccc1 23128352 AQOLQTOWQIGNPV-QGOAFFKASA-N 359.454 4.591 0 50 FJAA CCN(C(=O)c1cc(-c2cnn(CC)c2)nc2cc(C)cc(C)c12)C(C)C 63868291 RTBSGHQOJCIQEA-UHFFFAOYSA-N 364.493 4.606 0 50 FJAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2-c2nc3ccncc3[nH]2)o1 72156069 CBUPMHVQSFVVJY-UHFFFAOYSA-N 359.364 4.518 0 50 FJAA CCCCn1nc([C@H]2CCOC2)nc1-c1ccc(-c2ccc(OC)cc2)o1 96132727 IRZTYKDHYIFGNI-INIZCTEOSA-N 367.449 4.518 0 50 FJAA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1 100727469 CYHQCUBKDGXDQN-UYAOXDASSA-N 356.853 4.874 0 50 FJAA CCC(O)(CC)CN1CCC(c2nc(-c3ccccc3OC)cs2)CC1 191515583 GDJXVAZWCIWDDF-UHFFFAOYSA-N 374.550 4.549 0 50 FJAA Cc1ccccc1-c1noc([C@H](C)N2C[C@H](c3ccsc3)O[C@H](C)C2)n1 246572996 RWXDUVVULURVFQ-RVKKMQEKSA-N 369.490 4.630 0 50 FJAA CN(c1ccccc1NCc1nc(-c2cnn(C)c2)cs1)C1CCCC1 252536248 HZELFXCLAPIHIB-UHFFFAOYSA-N 367.522 4.535 0 50 FJAA O=C(c1ccc(Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 263639787 ISFFIYCFUVRVLY-UWVGGRQHSA-N 359.697 4.543 0 50 FJAA O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnc2c(F)cccc2c1 429912896 YVHIELITQMIVHL-UHFFFAOYSA-N 364.376 4.668 0 50 FJAA Cc1ncsc1CCn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857691459 MGMUISZAFJIQMP-UHFFFAOYSA-N 351.397 4.663 0 50 FJAA Oc1nc(N[C@H](c2ccccc2)[C@@H]2C[C@H]2c2ccccc2)ncc1Cl 1875337333 RKMPLYBRFHLQDR-LZLYRXPVSA-N 351.837 4.793 0 50 FJAA COc1cncc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 2325729285 GNBWGPLYZPMCQZ-DHZHZOJOSA-N 374.440 4.630 0 50 FJAA O=C(Cc1ccccc1)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 808630 ZXYDFPDPQCHNHQ-OAHLLOKOSA-N 374.720 4.834 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)c(C)c3)n2)cc1C 1000992 BROMLIUYQDBEEG-UHFFFAOYSA-N 373.456 4.820 0 50 FJAA CC1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 1076634 YSGIJDKVKDPEFS-UHFFFAOYSA-N 363.255 4.531 0 50 FJAA O=C(Nc1cccc(Cl)c1)c1ccc(NC(=O)c2cccs2)cc1 1188371 WXKOBYISJGXHKK-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA COC(=O)c1ccccc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 1431442 FMORNDCKJNEMMZ-HNNXBMFYSA-N 357.475 4.518 0 50 FJAA CN(c1ccccc1)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 2943735 YTGZJZXULJWRAU-PGMHBOJBSA-N 354.409 4.799 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C2 1704315270 QKHDQKWIINRRCM-NVXWUHKLSA-N 357.281 4.806 0 50 FJAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC34CCC(F)(F)CC4)cc2)c1C 2325840765 PGEQMEJBQFQNBD-KRWDZBQOSA-N 359.420 4.643 0 50 FJAA Cc1cc(CC(=O)O)ccc1OCc1ccc(OCC(C)C)c(Cl)c1 623218 UMMCSSZAXOJPJX-UHFFFAOYSA-N 362.853 4.889 0 50 FJAA O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 864935 WHUAMDBNBWVOFX-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA CCOc1ccccc1NC(=O)CSCc1c(F)cccc1Cl 1111019 LJJFQFNTTYKHMA-UHFFFAOYSA-N 353.846 4.750 0 50 FJAA O=C(Oc1ccccc1)c1ccc(COC(=O)c2ccccc2Cl)cc1 1132724 AAENPRSXKVUAJF-UHFFFAOYSA-N 366.800 4.916 0 50 FJAA CSc1cccc2c(C)cc(N3CCN(c4ccc(F)cc4)CC3)nc12 1215471 QTIUZZLLZIITGT-UHFFFAOYSA-N 367.493 4.731 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)n2)c1 4858379 WUPFXRWYPJTORK-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(-c2cccs2)s1 4902460 GMZSRTNECCIONV-UHFFFAOYSA-N 359.520 4.812 0 50 FJAA Cc1ccccc1CSCc1nnc(S)n1-c1ccc(Cl)cc1 6401695 QKTNJIIQKCZWRD-UHFFFAOYSA-N 361.923 4.951 0 50 FJAA CC(C)(C)[C@H](Cn1cccn1)NC(=S)Nc1ccc(Cl)cc1Cl 6824691 FWQDCYOXGUKVFG-AWEZNQCLSA-N 371.337 4.591 0 50 FJAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 6844613 QPZPHFDDLJAYTD-RYUDHWBXSA-N 364.898 4.636 0 50 FJAA CC(=O)c1cc(CN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)cs1 72162208 SSVFCZPOLYMFBT-KRWDZBQOSA-N 357.454 4.693 0 50 FJAA CCCN1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 95506693 UAKDROIOJRBSEX-IBGZPJMESA-N 361.489 4.895 0 50 FJAA CN(C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 96132150 GCSYYZTYVVEROY-KRWDZBQOSA-N 371.456 4.566 0 50 FJAA Cc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(Br)n1 127980106 FZAMCRAFXZHAFX-UHFFFAOYSA-N 374.263 4.528 0 50 FJAA CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 238881503 AGBQIJBWBYNINA-MRXNPFEDSA-N 355.825 4.517 0 50 FJAA 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 253595621 GPLGAQQQNWMVMM-RZRYCVTMSA-N 356.598 4.810 0 50 FJAA Cc1nc(-c2cccc(C(=O)NCCCC[C@H]3CCCO3)c2)sc1C 299756180 IXYHSZYPHCDIAM-SFHVURJKSA-N 358.507 4.506 0 50 FJAA O=C(c1cccc(-c2ccc(CN3CCCC3)cc2)c1)N1CCCCCC1 426658600 YKIAOEQWSLBTIJ-UHFFFAOYSA-N 362.517 4.966 0 50 FJAA CCc1nccn1CCCn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857684150 ASEBGFVQJWDSDK-UHFFFAOYSA-N 362.399 4.504 0 50 FJAA O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)cc1 629396 LOFIYZHUYKCYTR-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1C 673846 FEGPVWIPFBYSKU-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA O=C(NC[C@H]1CCCO1)c1ccc(CSc2ccc(Cl)cc2)cc1 833348 NZIACMZEAPBGII-QGZVFWFLSA-N 361.894 4.541 0 50 FJAA Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccc(Cl)cc2)c1 1139993 BUBZYGKKCUMPGP-UHFFFAOYSA-N 357.866 4.513 0 50 FJAA CCCCNC(=O)Nc1cccc2c(NC(=O)NCCCC)cccc12 2163964 ORLBFUUNSKSZSN-UHFFFAOYSA-N 356.470 4.683 0 50 FJAA Cc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc2C)cc1C 5601775 QKSJPOPQAUFSEZ-HOTGVXAUSA-N 372.490 4.565 0 50 FJAA CCN(CC)C(=O)c1cccc(NCCC(=O)c2ccc(Cl)cc2)c1 8783002 WKVATWBWZKSQPS-UHFFFAOYSA-N 358.869 4.507 0 50 FJAA O=C1c2ccccc2N[C@@H](c2cccc3ccccc23)N1C[C@@H]1CCCO1 15502942 SOXNPQCXRRBRMX-HTAPYJJXSA-N 358.441 4.585 0 50 FJAA CN(Cc1csc(-c2ccccc2)n1)Cc1nc(-c2cccs2)no1 20775977 QGHLCVZCCMYEFD-UHFFFAOYSA-N 368.487 4.554 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)on2)cc1 21525323 GIDNHXXMUXJGLF-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA COC1=CC(c2cc3ccccc3n2Cl)=N/C1=C\c1[nH]c(C)cc1C 43898727 FANXABUATTUKEX-YVLHZVERSA-N 351.837 4.962 0 50 FJAA in-vitro CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 170631222 VQTJVYGHBMFUCE-QXAKKESOSA-N 362.489 4.514 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(O)cc2)cc1 245242038 XGLGQKLBYJEKIX-GMAHTHKFSA-N 372.424 4.643 0 50 FJAA O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1ccc(C(F)(F)F)cn1 253414090 WLPNYFOKNVJEMX-INIZCTEOSA-N 359.351 4.520 0 50 FJAA CC(C)[C@H]1N(C(=O)Nc2ccc(-c3csnn3)cc2)CC12CCCC2 333236214 PGHRRQDTFXLVKV-QGZVFWFLSA-N 356.495 4.638 0 50 FJAA COc1ccccc1C1CCN(C(=O)NCc2ccc(SC)cc2)CC1 426584817 PQOBHBXNXFQVQO-UHFFFAOYSA-N 370.518 4.506 0 50 FJAA O=C(CCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 672004 KDZZOBWWDBTOOG-UHFFFAOYSA-N 351.233 4.741 0 50 FJAA COC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccccc1 937343 WCABSPVPCFASSL-UHFFFAOYSA-N 357.456 4.824 0 50 FJAA O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1ccccc1 1057510 AHSBUICAJHOMAC-HXUWFJFHSA-N 371.367 4.682 0 50 FJAA CCOc1cc(CO)c(Br)cc1OCc1ccccc1Cl 1141486 UTIGVZBDOCWMDP-UHFFFAOYSA-N 371.658 4.573 0 50 FJAA O=C(CCNc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 2519791 IJUNDKIPRPLEQJ-UHFFFAOYSA-N 356.622 4.927 0 50 FJAA CC(C)c1ccc(N[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 2885274 XGUYFJYPWUCQIW-HXUWFJFHSA-N 350.462 4.677 0 50 FJAA CC(=O)Nc1ccc(C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 3105413 VPXPOPNDTZOUFG-UHFFFAOYSA-N 364.470 4.785 0 50 FJAA O=C(O)C(=C\c1ccc(Cl)cc1)/C(=C/c1ccc(Cl)cc1)C(=O)O 3136268 MEPWVXYRSORXBM-VULZFCBJSA-N 363.196 4.630 0 50 FJAA Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C)n1C1CCCCC1 4384751 IPLDPAIZWJQASC-UHFFFAOYSA-N 368.506 4.856 0 50 FJAA COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1 4622013 GZJYHKMPUBEUSL-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA Cc1ccc([C@H]2C[C@H]2c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 5426633 KWTOVCPNYJHNIC-ZIAGYGMSSA-N 359.857 4.928 0 50 FJAA O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(Cc2ccsc2)C1 11879373 UCHPXRXBGADQOU-SFHVURJKSA-N 366.486 4.859 0 50 FJAA Cc1ccc(/C=C2\Sc3nnc(C)n3N=C2c2ccc(F)cc2F)s1 20602335 KAHMJCWNLVCWBG-NVNXTCNLSA-N 374.441 4.634 0 50 FJAA Clc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 55543654 MIVPROTVZNLQNP-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA Cc1cccc(C)c1NC(=O)Cn1nccc1-c1ccc(F)c(Cl)c1 225450336 HKXRNXNZTGZKIQ-UHFFFAOYSA-N 357.816 4.598 0 50 FJAA CC(=O)Nc1cccc([C@H](C)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 225556091 GFIKGCLTMJWPPT-RXYZOABWSA-N 368.477 4.500 0 50 FJAA CC[C@H](C)C(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 252669062 GJJKYTBLENQIRA-QRTARXTBSA-N 357.416 4.678 0 50 FJAA Cc1ncsc1CN(Cc1ccccc1)C(=O)NCC1CCCCC1 426373641 POZIOEVYHHPGPJ-UHFFFAOYSA-N 357.523 4.744 0 50 FJAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1 426431447 WQZVWIZSEZQPPF-FQEVSTJZSA-N 355.865 4.566 0 50 FJAA Cc1ccc(N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c(C)c1 741181542 UVTWPBFVPDSRIL-JKSUJKDBSA-N 363.379 4.969 0 50 FJAA COc1cccc2c1OC[C@@H](n1ccnc1-c1c(F)cccc1Cl)C2 1857734462 SRSFUEAREFKIJP-ZDUSSCGKSA-N 358.800 4.527 0 50 FJAA FC(F)c1ccc(C[C@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)cc1 1875264151 XILCZFSZKGYHRT-OAHLLOKOSA-N 357.404 4.672 0 50 FJAA Cc1cc(OCc2cccnc2)ccc1NC(=O)c1ncsc1C(C)C 2325781765 IEOMGTSUGBMMTN-UHFFFAOYSA-N 367.474 4.801 0 50 FJAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1Br 821200 GSBJZFSORHZNLV-GFCCVEGCSA-N 350.281 4.710 0 50 FJAA O=C(Nc1cccc(F)c1)c1cccc(-c2cc3ccccc3oc2=O)c1 1078778 HPFVUKHUWLMCMI-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA CCc1cc(Br)ccc1NC(=O)Nc1cccc(C(C)=O)c1 2858470 FNSSQUCUZKCXDC-UHFFFAOYSA-N 361.239 4.858 0 50 FJAA CCCCCC(=O)N[C@@H](Nc1ccccc1C)C(Cl)(Cl)Cl 3153139 WUSPLVMZMBEMED-CQSZACIVSA-N 351.705 4.800 0 50 FJAA COc1ccc(CNCC[C@]2(c3ccccc3)CCO[C@H](C(C)C)C2)cc1 4038355 NJKRITVJGFNMNK-ZEQRLZLVSA-N 367.533 4.948 0 50 FJAA biogenic CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C 4896375 UEGPYBRSXQPMTH-AUHDTZKSSA-N 355.478 4.788 0 50 FJAA COc1ccc(C)cc1-n1c(S)nnc1CSCc1ccccc1C 6400547 HUHAICCUELKAFE-UHFFFAOYSA-N 371.531 4.615 0 50 FJAA Cc1cccc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)n1 11667973 DESFKVDNHFKWMY-FQEVSTJZSA-N 370.496 4.737 0 50 FJAA COC[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 11935398 HKGKYAXVKVCKHH-SFHVURJKSA-N 361.489 4.602 0 50 FJAA CC(C)[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 13616388 WBRDMBKUNJDWNH-MJGOQNOKSA-N 371.278 4.975 0 50 FJAA CC(=O)c1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 55031416 OCGWRJDTMZJOSY-UHFFFAOYSA-N 370.496 4.878 0 50 FJAA Cc1ccc2c(C(=O)N(C)CC(C)C)cc(-c3cnn(C(C)C)c3)nc2c1 63848819 MUDQXAPWSJRAHZ-UHFFFAOYSA-N 364.493 4.716 0 50 FJAA Cc1c[nH]c(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)c1 71613790 AAVQFKGIPJPBBB-HNNXBMFYSA-N 364.411 4.827 0 50 FJAA O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239415358 UFQISGODMCVDRI-MUDKKEKZSA-N 374.311 5.634 0 50 FJAA Oc1ccc(-c2noc([C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)cc1 436898380 AISIGSDPKDCEPU-ZIAGYGMSSA-N 362.307 4.612 0 50 FJAA O=C(Nc1cc(C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21 722996816 QAUCZYWIGHSSRE-UHFFFAOYSA-N 365.410 4.807 0 50 FJAA Fc1cccc(-c2ncnc(Nc3cccc(-c4ccncc4)c3F)n2)c1 1875358435 WBGUHIJYACPKRO-UHFFFAOYSA-N 361.355 4.622 0 50 FJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCCCC1 758179 OYXQTJBGHKGPHH-UHFFFAOYSA-N 353.249 4.973 0 50 FJAA CCCC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 867332 QPBRJLNYRUYCSF-UZLBHIALSA-N 351.446 4.818 0 50 FJAA O=c1[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)nc2c1CCC2 934694 OJGSLZXJPWNZGJ-UHFFFAOYSA-N 361.681 4.511 0 50 FJAA COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 1126047 JBDOVMISSIENIR-UHFFFAOYSA-N 356.425 4.678 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C 1181034 ULNMZDDJDHQJBD-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA COC(=O)c1ccccc1S[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 1431441 FMORNDCKJNEMMZ-OAHLLOKOSA-N 357.475 4.518 0 50 FJAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 1461204 LEGIFIOZTPFJBR-SMDDNHRTSA-N 359.853 4.845 0 50 FJAA O=C(CCc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 14567062 QEQKCSJYJCVKMM-UHFFFAOYSA-N 370.880 4.537 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C\c2ccco2)c1C 15746245 BNPQMWTYGHHDEP-SEYXRHQNSA-N 360.413 4.801 0 50 FJAA Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccccc2Cl)n1 16579553 MGCJLWBGXXLJSI-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1ccccc1F 36620757 NZOYEUQHENWIFW-SFHVURJKSA-N 354.356 4.597 0 50 FJAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2noc(C(C)C)n2)oc1C 65490750 XPXJUCLTYVGOQO-UHFFFAOYSA-N 362.433 4.982 0 50 FJAA Cc1cccc(C(=O)NCc2cccnc2Oc2ccccc2)c1Cl 67675444 OVFYJPZHERKEHG-UHFFFAOYSA-N 352.821 4.766 0 50 FJAA CC(C)n1ccnc1C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 95530119 XPXVVLVTFSPESD-UHFFFAOYSA-N 366.292 4.791 0 50 FJAA CC[C@H](NC(=O)c1cccc(-c2cn(C(C)C)nc2C)c1)c1ccncc1 299778394 HGFNSBJBAMLSBI-NRFANRHFSA-N 362.477 4.716 0 50 FJAA O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CC[C@H]2CCC[C@@H]21 333443345 MGOHCICCVHEFCY-WBMJQRKESA-N 359.376 4.558 0 50 FJAA Cc1c(NC(=O)[C@@H](c2ccccc2)C2CCCC2)cccc1C(=O)N(C)C 827648957 LSWCYBZDVUFGCN-NRFANRHFSA-N 364.489 4.609 0 50 FJAA Cc1ccc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)o1 1704343046 IQPORFBMQQUHQB-QHCPKHFHSA-N 359.473 4.525 0 50 FJAA C[C@H](NC(=O)c1ccc2c(ccn2C)c1)c1ccc(-c2cccnc2)cc1 1875303298 LVIOPECWKXYRER-INIZCTEOSA-N 355.441 4.731 0 50 FJAA CC(=O)O[C@H](C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2)c1ccccc1 792784 LTPNQOJKVBFWQJ-FQEVSTJZSA-N 365.429 4.504 0 50 FJAA O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccnc1 848970 XIPITXQWWBJFLL-UHFFFAOYSA-N 367.767 4.935 0 50 FJAA CC(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 1183827 QCMFBTRPBPQXLH-UHFFFAOYSA-N 362.410 4.863 0 50 FJAA Fc1ccc(C2=CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 2498206 AEBQVJQJBLKZRT-UHFFFAOYSA-N 350.481 4.579 0 50 FJAA CCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 2631100 DYVVLNOSAIWLLN-UHFFFAOYSA-N 352.217 4.813 0 50 FJAA O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCCc1ccccc1 2850495 NDDOETQUYGKCBE-UHFFFAOYSA-N 372.679 4.775 0 50 FJAA Cc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1C 3454273 RJUJQPCEMUDLQU-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1csc2ccccc12 4749769 WDWZPMQAJGZWFW-UHFFFAOYSA-N 364.470 4.780 0 50 FJAA Cc1ccc2c(c1)CN(Cc1cccc(C)n1)C[C@@H](c1ccsc1)O2 12183905 DLAJATNQNMJPKA-NRFANRHFSA-N 350.487 4.896 0 50 FJAA Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccccc3)cc2O)n1 15952632 MFOLFNOAAAKJMQ-UHFFFAOYSA-N 369.424 4.677 0 50 FJAA biogenic COc1cccc2c1O[C@H](C(C)C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 25581533 XVUKEUKQVQDVTF-YLJYHZDGSA-N 356.853 4.874 0 50 FJAA Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)(C)C)c3)nc12 63856685 YEDYVCYLLRKXQD-UHFFFAOYSA-N 364.493 4.642 0 50 FJAA Cc1ccc(C)n1CCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1 253412601 RMECATNSDYWWJP-UHFFFAOYSA-N 363.505 4.732 0 50 FJAA biogenic Fc1ccccc1[C@@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299741591 GPWBIMZJXKUWRB-LSTDLKDCSA-N 350.393 4.725 0 50 FJAA CC(=O)c1ccccc1-c1cccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1 426613620 KDQSYJAYZUBSCI-SGNKAXLRSA-N 359.469 4.674 0 50 FJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(N(C)C)c(C)c1 2325739135 YQEBXNOELHOHGV-UHFFFAOYSA-N 350.466 4.596 0 50 FJAA CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1NCc1ccco1 645727 APGAOBLQAYDRAY-UHFFFAOYSA-N 364.323 4.635 0 50 FJAA CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 1081637 PAEFMMRBGBXENM-UHFFFAOYSA-N 360.413 4.590 0 50 FJAA Cc1cccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1C 1133048 VKUIOILDMZGLOA-IBGZPJMESA-N 351.490 4.552 0 50 FJAA CCOc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 2729777 WKSYBCZHJDRHAD-UHFFFAOYSA-N 354.519 4.737 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 8241078 ACMLWROAMJIPIL-ZIAGYGMSSA-N 362.930 4.545 0 50 FJAA C[C@H]1CCC[C@H](C)N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 8298342 ACMLWROAMJIPIL-KBPBESRZSA-N 362.930 4.545 0 50 FJAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cccc2nccnc12 77340222 VGPVDBWQXFUJSC-UHFFFAOYSA-N 369.424 4.694 0 50 FJAA COc1ccc(N(C(=O)c2coc(-c3ccccc3)n2)[C@H](C)C2CC2)cc1 118951098 QZUAEOGQCVNGJU-OAHLLOKOSA-N 362.429 4.796 0 50 FJAA COc1cc(CSCc2cccc(Br)c2C)cc(OC)n1 1875322999 RFOXYDAJDUOQCL-UHFFFAOYSA-N 368.296 4.603 0 50 FJAA CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C1CCC1 651825 UOEMTZHKZQDQRF-UHFFFAOYSA-N 357.475 4.947 0 50 FJAA CC(=O)c1cccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)c1 998446 MLEVDZSKMDFEIL-UHFFFAOYSA-N 369.804 4.967 0 50 FJAA COc1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC 1121157 ZOMBKVXLBMUSRQ-UHFFFAOYSA-N 372.755 4.603 0 50 FJAA O=C(CSc1cccc2cccnc12)Nc1ccccc1C(F)(F)F 1153802 UNYAMUQRZIIPIM-UHFFFAOYSA-N 362.376 4.984 0 50 FJAA S=C(Nc1ccn(Cc2ccccc2)n1)Nc1cccc2ccccc12 2781673 PJLUJRNHJXIGIU-UHFFFAOYSA-N 358.470 4.894 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccccc1O 4828897 AYSBREIJFAMXSP-SDNWHVSQSA-N 374.827 4.915 0 50 FJAA C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4912157 XSOJYVSGFFYQAH-ITDFMYJTSA-N 357.837 4.622 0 50 FJAA COc1cccc(Oc2cc(Br)ccc2C(OC)OC)c1C 44127075 IUSQKYCYDMEUHB-UHFFFAOYSA-N 367.239 4.850 0 50 FJAA CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)cc1 65395410 VCCRIPUZKFFCLA-UHFFFAOYSA-N 357.413 4.817 0 50 FJAA CC[C@@H]1COCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72420336 PSASHHZAWGLIAB-MRXNPFEDSA-N 368.864 4.739 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3nc(C(C)C)no3)oc2c1C 77299462 GGUWPJWEUUAZOU-INIZCTEOSA-N 367.449 4.842 0 50 FJAA Cc1cc2cc(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)ccc2o1 91943058 XQNWAQYPNAGAIM-UHFFFAOYSA-N 353.809 4.543 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 101710531 GNIXJMMCZSNWBX-ATVPRXPUSA-N 358.869 4.858 0 50 FJAA Cc1ccc(C)c(NCN2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1 164967382 BXEDPXNLGUKYDC-YVLHZVERSA-N 356.422 4.548 0 50 FJAA COCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 426734051 PQKDBFGJXWKWRG-GOSISDBHSA-N 359.416 4.663 0 50 FJAA Cc1cc2cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)ccc2o1 825302631 RXCOWWUZCAVBKB-UHFFFAOYSA-N 362.429 4.538 0 50 FJAA Fc1cc(CNCc2cccc(COC3CCOCC3)c2)c2occc2c1 2325773821 IQXZUVQXLUYELE-UHFFFAOYSA-N 369.436 4.557 0 50 FJAA NCCCN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(F)cc1 2325827878 SXELMBBEQXEZFO-UHFFFAOYSA-N 370.255 4.515 0 50 FJAA CCN(C(=O)COc1ccc(Cl)cc1Br)c1ccccc1 676784 DVPSEBUOGHKSIH-UHFFFAOYSA-N 368.658 4.534 0 50 FJAA C[C@@H](CN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 757438 SZWMKEAQKQRUKY-INIZCTEOSA-N 374.322 4.536 0 50 FJAA O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 843647 ZUXHVMXOTOYINI-LAUBAEHRSA-N 360.438 4.501 0 50 FJAA CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C1=O 1104525 WRXSWEQTCSPSJI-PDGQHHTCSA-N 353.443 4.630 0 50 FJAA CCc1ccc(OCC(=O)Nc2ccccc2N2CCC(C)CC2)cc1 1115720 MEARYOANYGFFER-UHFFFAOYSA-N 352.478 4.503 0 50 FJAA O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc(Cl)ccc1Cl 1183943 FYDPCGJILZCJSC-UHFFFAOYSA-N 373.692 4.703 0 50 FJAA Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1 4755147 ALHCDDVFGHDFHL-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA COc1ccc(-n2c(/C=C\c3cccc(C)c3)nc3ccccc3c2=O)cc1 32639547 NLVSXPLCOJDWSN-GDNBJRDFSA-N 368.436 4.873 0 50 FJAA CC[C@@H](C)N(Cc1sccc1C)C(=O)c1cccc(-c2ncc[nH]2)c1 55270889 TVMVGBXYSKLTED-OAHLLOKOSA-N 353.491 4.888 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN[C@@H]2CC3(CCCC3)Oc3ccccc32)o1 131251564 HXGSKFMTDMIWTE-GOSISDBHSA-N 363.461 4.904 0 50 FJAA C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(Cl)c(Cl)[nH]1 170624997 VBKFEZWZNNCBRW-LKFCYVNXSA-N 373.667 4.577 0 50 FJAA O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239347389 MUZUZXBNNZQLPH-OYQDBORRSA-N 358.696 5.135 0 50 FJAA aggregator c1ccc(Oc2ncccc2-c2noc(-c3ccc4c(c3)CCOC4)n2)cc1 904453647 HXZVODFLQDAXKK-UHFFFAOYSA-N 371.396 4.664 0 50 FJAA CCCCN(Cc1ccsc1)C(=O)CCc1nc2ccc(F)cc2[nH]1 952965679 SUQZQYBVLHVCBI-UHFFFAOYSA-N 359.470 4.525 0 50 FJAA NCCC[C@@H](NCc1cc(-c2cccc(Cl)c2)on1)c1ccccc1 1875298832 OXNXGEJZVGGROY-LJQANCHMSA-N 355.869 4.565 0 50 FJAA C[C@H](CC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1)c1c[nH]c2ccccc12 1875349670 IALNZXPGLLTPOC-CQSZACIVSA-N 364.445 4.662 0 50 FJAA FC(F)(F)c1cc2c(Nc3cccc([C@@H]4CC4(F)F)c3)nccn2n1 1875407938 KLWDLCAMHHAVSK-NSHDSACASA-N 354.282 4.614 0 50 FJAA O=C(OCc1ccc(Oc2cccnc2)cc1)c1scnc1C1CC1 2325709317 XWEICVLZVOFUFR-UHFFFAOYSA-N 352.415 4.565 0 50 FJAA COC(=O)[C@@]1(C)CC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1(C)C 910525 PHFJOKJPCMCBQR-APPDUMDISA-N 358.265 4.547 0 50 FJAA O=C(Nc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)cc1Cl 1249388 GJVUNMTUYNLUEN-UHFFFAOYSA-N 366.233 4.551 0 50 FJAA O=C1CS[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 2939856 VCKWUMGKJALCBP-INIZCTEOSA-N 368.241 4.501 0 50 FJAA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(-c2ccccc2)cc1 100316169 ICTRNWORWUHRTE-NRFANRHFSA-N 354.409 4.575 0 50 FJAA CCCSc1ccccc1NC(=O)N1CCC(c2ccncc2)CC1 299782486 PXTFMQZMSQNESO-UHFFFAOYSA-N 355.507 4.995 0 50 FJAA Cc1c(-c2ccccc2)noc1NC(=O)c1ccc([C@@H]2CCCO2)s1 1506403449 RTJPGJGFJTZYNE-AWEZNQCLSA-N 354.431 4.815 0 50 FJAA c1ccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)ncnc3s2)cc1 632050 RKUIZUGKJGVSPP-UHFFFAOYSA-N 361.426 4.873 0 50 FJAA Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1c(C)cccc1C 959375 LQYJHFSQRSJQGK-UHFFFAOYSA-N 374.436 4.827 0 50 FJAA CC(C)c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCOCC2)cc1 1134166 CAVJQELPLQDJRK-JLHYYAGUSA-N 363.501 4.688 0 50 FJAA O=C(Cc1ccccc1)Nc1c(C(=O)c2ccccc2)oc2ccccc12 1170907 UMQMUXBAGHISKH-UHFFFAOYSA-N 355.393 4.845 0 50 FJAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1 1175591 MXIWVWQTPXKCLU-UHFFFAOYSA-N 367.452 4.778 0 50 FJAA CCOC(=O)Cc1csc(Nc2ccc(Oc3ccccc3)cc2)n1 2582399 HQOSDNFQFKDFCO-UHFFFAOYSA-N 354.431 4.785 0 50 FJAA O=c1c2ccccc2ncn1CCCCOc1ccc(Cl)cc1Cl 2863294 KWCKUTQUWBNJMA-UHFFFAOYSA-N 363.244 4.563 0 50 FJAA CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@@H]1C)Nc1ccccc1-2 4420229 VDVFMPOMKNVTKW-PMUMKWKESA-N 368.506 4.773 0 50 FJAA COc1ccc(C2=NN(C(=O)Cc3ccccc3)[C@@H](c3ccccc3)C2)cc1 4618736 PDXQJWPDXTWEPY-HSZRJFAPSA-N 370.452 4.616 0 50 FJAA O=C(CCCc1ccccc1)Nc1ccc(-c2cn3ccccc3n2)cc1 4809706 QIIFCAYAKRVGLD-UHFFFAOYSA-N 355.441 4.963 0 50 FJAA C[C@@H](CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4981333 DTIZNRFBKSXDAV-KRWDZBQOSA-N 362.439 4.849 0 50 FJAA CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccc(SC)cc3)ccc2O1 12218165 LSNFLTIBYOUDGF-KSSFIOAISA-N 355.503 4.541 0 50 FJAA Cc1ccc(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)c(C)n1 20862973 NMMRKVCSACXOJN-UHFFFAOYSA-N 358.445 4.882 0 50 FJAA COc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1Br 22023224 FOVARMAZZDHLBE-KRWDZBQOSA-N 361.283 4.580 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)no1 33269786 IUDZJIORTJPCGC-QGZVFWFLSA-N 369.396 4.569 0 50 FJAA CCc1ccc(N2N=C(c3ccccc3)NN2c2ccc(CC)cc2)cc1 98045317 SLVDKJUTEJPOKG-UHFFFAOYSA-N 356.473 4.919 0 50 FJAA O=C(c1sccc1-c1ccccc1)N1CCC(Nc2nccs2)CC1 190406556 WEIUNOXOJURHFR-UHFFFAOYSA-N 369.515 4.588 0 50 FJAA Fc1cc(CNCc2ccc(COC3CCOCC3)cc2)c2occc2c1 2325773980 MAYGJKBIVZERJE-UHFFFAOYSA-N 369.436 4.557 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3c(Cl)cccc3Cl)C1)CC2 2356142243 JZHHLVMYEHBXLY-IBGZPJMESA-N 362.304 4.572 0 50 FJAA CCc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1 888710 VTAVMLBYURGETF-UHFFFAOYSA-N 358.492 4.839 0 50 FJAA Cc1cccc(C(=O)N[C@@H](Nc2ccccc2C)C(Cl)(Cl)Cl)c1 939589 IYZVPLMGRYTPHS-MRXNPFEDSA-N 371.695 4.842 0 50 FJAA O=C(Nc1ccccc1)c1cccnc1Nc1ccc(Br)cc1 1076182 WMZJQYLPUNXMSW-UHFFFAOYSA-N 368.234 4.840 0 50 FJAA CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 1178140 GATDYJWSCIHAIW-UHFFFAOYSA-N 370.832 4.969 0 50 FJAA biogenic O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)cc1Cl 1212663 XMUVCKAHFQWARQ-RMKNXTFCSA-N 351.258 4.520 0 50 FJAA O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1 1392171 WXGAKJODBJVEOJ-UHFFFAOYSA-N 354.759 4.585 0 50 FJAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 11911525 CGPNREFTMCXNJP-NRFANRHFSA-N 373.500 4.700 0 50 FJAA Cc1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)nnn1-c1ccccc1 12274279 AZVSVJFTIAPCBF-UHFFFAOYSA-N 369.428 4.572 0 50 FJAA COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CCCCCC3)cc1OC 17076513 VVXSAZUMAXINGF-AWEZNQCLSA-N 373.518 4.915 0 50 FJAA COCc1cc(CN(Cc2ccc(SC)cc2)C2CC2)ccc1OC 55042100 BQDOPDWVCQJRBF-UHFFFAOYSA-N 357.519 4.728 0 50 FJAA CCC[C@@H](C)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67850825 HPTLYAOKLMOKMF-CYBMUJFWSA-N 366.383 4.945 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3cccnc3)oc2c1 97480243 LJQXTTUQKUBAHE-GOSISDBHSA-N 350.418 4.512 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1C 100295164 YTMFUJMILRNSCU-UTLNKFNPSA-N 373.452 4.797 0 50 FJAA Fc1ccc(OC(F)F)c(NCc2nnc(-c3cccc(Cl)c3)o2)c1 134167282 NEOKKBVYODQELB-UHFFFAOYSA-N 369.730 4.743 0 50 FJAA O=C(Nc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCO[C@@H]1c1ccccc1 170626768 XPCLATSMQPAENO-IFMALSPDSA-N 374.440 4.980 0 50 FJAA CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1 426397985 AXTKRMDRHPJQPC-GOSISDBHSA-N 373.880 4.744 0 50 FJAA COc1nscc1[C@@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1875328791 NAFDTPMBJWMUFN-CYBMUJFWSA-N 354.479 4.525 0 50 FJAA O=C(O[C@H](Cc1ccccc1)c1ccccc1)c1cccc(-c2nnco2)c1 2325741689 WYOBDEATEQPGCK-OAQYLSRUSA-N 370.408 4.877 0 50 FJAA O=S(=O)(Nc1ccccc1F)c1cc(Cl)c(Cl)cc1Cl 641797 BEKFXNHDESZJQR-UHFFFAOYSA-N 354.617 4.587 0 50 FJAA Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2cccs2)cc1 868798 WZHDFAGELLOQDW-FQEVSTJZSA-N 370.495 4.845 0 50 FJAA COc1ccc(NC(=S)NCC(c2ccccc2)c2ccccc2)cc1 1073418 DVEBYLSMLIGXTP-UHFFFAOYSA-N 362.498 4.814 0 50 FJAA O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccs2)nc2ccccc12 1198829 ODSPRQHMDNGHKM-UHFFFAOYSA-N 374.421 4.944 0 50 FJAA COc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1Cl 2978424 QIYLEVWSFAULNF-UHFFFAOYSA-N 368.658 4.980 0 50 FJAA O=C(c1ccccc1)c1cc(C(F)(F)F)cnc1C(=O)c1ccccc1 3134952 CGPGWIWGADDEFG-UHFFFAOYSA-N 355.315 4.562 0 50 FJAA CCOC(=O)[C@H](Cc1ccccc1)C(=O)N(c1ccccc1)c1ccccc1 3190612 XCTRFNZSTRTXEH-JOCHJYFZSA-N 373.452 4.773 0 50 FJAA O=C(N1CCN(c2ccccc2)CC1)N(c1ccccc1)c1ccccc1 4190216 UYLIKJJOHSDPPW-UHFFFAOYSA-N 357.457 4.767 0 50 FJAA O=Cc1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 4809763 NLYCLNPKMIKJOK-UHFFFAOYSA-N 359.410 4.762 0 50 FJAA Cc1cccc(-c2nc(CN(C)CC3CCN(CC(C)C)CC3)c(C)o2)c1 12111724 GDUBWSCVFBXVCT-UHFFFAOYSA-N 369.553 4.758 0 50 FJAA CC[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12242380 SEEAGKFBAOHZCY-SJLPKXTDSA-N 361.489 4.982 0 50 FJAA CCn1ccc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)n1 65398753 GJQJBUJNGKRGOA-UHFFFAOYSA-N 357.461 4.546 0 50 FJAA CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 147739676 NOOGZPAXOVJEBK-UHFFFAOYSA-N 359.882 4.983 0 50 FJAA O=C(N[C@@H]1CCCOc2ccccc21)c1csc(-c2ccccc2F)n1 170608389 QIKTUGVBVCJKOP-MRXNPFEDSA-N 368.433 4.593 0 50 FJAA CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 239306133 GLTAMRONJSYAQQ-SKNMWMDOSA-N 362.256 4.641 0 50 FJAA O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 299764227 YLWOIFXQBRXBLB-QGZVFWFLSA-N 369.465 4.620 0 50 FJAA O=C1C[C@H](c2ccco2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 409415298 AAARYKKYSSLDBP-INIZCTEOSA-N 360.388 4.896 0 50 FJAA Cc1cccc(Cn2nc(C3(c4ccccc4)CC3)nc2[C@H]2CCCO2)c1 670448685 WONGMMCYYASIIH-HXUWFJFHSA-N 359.473 4.566 0 50 FJAA CCC1(CNC2CC(c3ccccn3)C2)CCN(Cc2ccccc2)CC1 2325734417 DZYIANVVRQLXQM-UHFFFAOYSA-N 363.549 4.610 0 50 FJAA Clc1ccc2nc(-n3nc4ccccc4n3)nc(-c3ccccc3)c2c1 754021 ZJBQNTDUVUKTOG-UHFFFAOYSA-N 357.804 4.684 0 50 FJAA Fc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)cc1 756784 ITEJGRURSJYFNH-UHFFFAOYSA-N 358.420 4.827 0 50 FJAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 1132636 IVCCLOUMYJZLAO-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 1174226 VHLXLPOUOYGROB-UHFFFAOYSA-N 362.882 4.562 0 50 FJAA CCCCOc1ccccc1NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1777454 AOHMYOQAZCVJQB-WYMLVPIESA-N 369.461 4.925 0 50 FJAA Cc1ccc(SCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 2348102 UNLBAUNAMUKIPW-UHFFFAOYSA-N 374.466 4.922 0 50 FJAA Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 2840541 FMPXUBUVNHKDOY-UHFFFAOYSA-N 351.471 4.699 0 50 FJAA Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CCCC3 2855839 NVSVYNXXWAWRIO-UHFFFAOYSA-N 359.422 4.560 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccccc1-2 2912146 ZDRHOIYFSRNUHX-QGZVFWFLSA-N 368.437 4.683 0 50 FJAA COc1ccc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 4140790 SUQHUXBRQGMWJT-RMKNXTFCSA-N 356.219 4.882 0 50 FJAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 12596376 HPEUSQYOVIGOPH-SXSDINLZSA-N 371.839 4.614 0 50 FJAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1cccnc1 16623744 ZDXNIQMTPKISAZ-HXUWFJFHSA-N 350.849 4.573 0 50 FJAA Cc1sc(NC(=O)C[C@@H](C)CC(=O)O)nc1-c1ccc(C(C)(C)C)cc1 17076666 IJTMRWAXJNHYLA-GFCCVEGCSA-N 374.506 4.855 0 50 FJAA COc1cccc([C@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 20601161 ZGZLQFKUXYEPIN-GOSISDBHSA-N 351.475 4.662 0 50 FJAA Fc1ccccc1OC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 215020710 BNIATXQAOOWUQZ-OAHLLOKOSA-N 365.395 4.718 0 50 FJAA C[C@@H]1C[C@@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)o1 239287485 CWPUUEVQCULTTL-XAGWURHQSA-N 350.340 4.532 0 50 FJAA C[C@]1(c2ccc(Cl)c(Cl)c2)N=C(O)N(c2ccccc2Cl)C1=O 328594771 BIXMDGATZGOJPP-MRXNPFEDSA-N 369.635 4.823 0 50 FJAA COc1ccc(Cl)cc1-c1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1 426510537 YLPPFBAVAJYJRN-GOSISDBHSA-N 373.880 4.657 0 50 FJAA C[C@@H]1CCCN(CCNC(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 584887760 KIVINMHZVDNEOF-OAHLLOKOSA-N 374.887 4.608 0 50 FJAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N(Cc1ccsc1)C1CC1 952860850 ADHSBQSIHFEWHS-GOSISDBHSA-N 350.487 4.841 0 50 FJAA CSc1ccc(CN(Cc2cc(-c3ccncc3)no2)C2CC2)cc1 1506420610 NBSBLGMRNPYJBR-UHFFFAOYSA-N 351.475 4.623 0 50 FJAA FC(F)C1(CN2CCc3c(Br)ccc(Cl)c3C2)CC1 2325747434 BJWKXWYZWQGGJC-UHFFFAOYSA-N 350.634 4.506 0 50 FJAA O=C(O)CCn1c(SCc2cccc3ccccc23)nc2ccccc21 799508 KSTWFDOHGMGHHK-UHFFFAOYSA-N 362.454 4.957 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1 945356 GGTKQSGIKIUATB-UHFFFAOYSA-N 367.430 4.631 0 50 FJAA O=C(CCSc1ccc(Cl)cc1)NCCSCc1ccccc1 2170063 PMDHXCSNWQDZCV-UHFFFAOYSA-N 365.951 4.872 0 50 FJAA CCc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1 2525948 PTFBUZMYQPUVHA-UHFFFAOYSA-N 356.219 4.925 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)NCCCCc1ccccc1 2865020 MPMMFFTWGMJFSQ-UHFFFAOYSA-N 352.261 4.511 0 50 FJAA O=C(Nc1ccccc1Br)c1sccc1Br 4542007 HSMYWMSRHQVEMZ-UHFFFAOYSA-N 361.058 4.525 0 50 FJAA O=C(CCSc1ccccc1)NCCSCc1ccc(Cl)cc1 4701918 OMJNAUDLGVENJX-UHFFFAOYSA-N 365.951 4.872 0 50 FJAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cc1 21790845 DEGXXADPRHDJSS-IBGZPJMESA-N 350.393 4.766 0 50 FJAA CCCN(C)Cc1cccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)c1 48488764 NSUUVAWVMLRZFA-UHFFFAOYSA-N 367.880 4.599 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(CCCn2cccn2)C1 65419730 IAPNAFNFFUNLLR-HSZRJFAPSA-N 373.500 4.535 0 50 FJAA CN(CC(C)(C)CO)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72477908 DHHXLNCCMBIYFN-UHFFFAOYSA-N 370.880 4.579 0 50 FJAA O=C(CCSCc1ccc(F)cc1)N1CCCC[C@@H]1c1ccccn1 221163495 CSOCIPDLKMVWPF-LJQANCHMSA-N 358.482 4.598 0 50 FJAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 248175722 ACVCKOAEWFQOOF-RXVVDRJESA-N 362.454 4.999 0 50 FJAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(OC)cc2)c1 328578998 GOUTVLPTANIMLW-UHFFFAOYSA-N 353.805 4.864 0 50 FJAA CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c(C)n1 952962706 CMGYBEMZNSYGPS-UHFFFAOYSA-N 365.433 4.655 0 50 FJAA CC1(C)C[C@]1(C(=O)Nc1cccc(CN2CCCC2)c1)c1cccs1 952984200 OWNKDVNXLWJEPQ-OAQYLSRUSA-N 354.519 4.650 0 50 FJAA CC(C)c1ccc(-c2csc(N3CCN(CC(F)(F)F)CC3)n2)cc1 2325866730 XWEDAQJLORNUIP-UHFFFAOYSA-N 369.456 4.618 0 50 FJAA O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 643204 YERIRYNFJBWVRE-UHFFFAOYSA-N 361.426 4.502 0 50 FJAA CCOc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 1144552 WFMWFIJMQIVRKV-QGZVFWFLSA-N 353.462 4.536 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 1164680 STEZYAJHZCVEGI-UHFFFAOYSA-N 361.441 4.900 0 50 FJAA Cc1cccc(N2C(=O)c3ccc(-c4nc5ccccc5o4)cc3C2=O)c1 1207571 UFRCXKJYSZUYPK-UHFFFAOYSA-N 354.365 4.604 0 50 FJAA Cc1c2occ(-c3ccc4c(c3)OCO4)c2cc2c3c(c(=O)oc12)CCC3 2109448 AQNIILQKLFKRDN-UHFFFAOYSA-N 360.365 4.732 0 50 FJAA biogenic CCOc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 2907382 OQEOURSBBKHIOR-HOTGVXAUSA-N 350.245 4.611 0 50 FJAA CCN(CC)c1nc(-c2ccc(Br)cc2)nc2ccccc12 2928470 GJZVPHFZKBCLMZ-UHFFFAOYSA-N 356.267 4.906 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 2964397 WKLITMAYGQOXGM-LBPRGKRZSA-N 363.866 4.636 0 50 FJAA O=C(Nc1cccc(-c2noc(-c3cccs3)n2)c1)c1cccs1 6697355 RPZMNEQGMUHWML-UHFFFAOYSA-N 353.428 4.779 0 50 FJAA c1nc(CCNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)cs1 12050582 ZWXKRTJRMXARCP-UHFFFAOYSA-N 365.506 4.697 0 50 FJAA Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(Cc2ccoc2)CC3)cc1 12593586 HWZBZVVLMRITPC-UHFFFAOYSA-N 374.484 4.718 0 50 FJAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2cccc(F)c2)c1C 13331416 VNAYAGIQVFGJLE-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA CCc1cccc(C)c1NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 13789006 ZVECZGDOFOAIEA-UHFFFAOYSA-N 352.459 4.781 0 50 FJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cscn1)C2 67773978 VVPSAVAZAOFQPQ-UHFFFAOYSA-N 372.877 4.564 0 50 FJAA COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(Cl)cc2c1OCC2 120496187 RVBUCNOXPQRUND-KRWDZBQOSA-N 372.852 4.653 0 50 FJAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 252452328 CEURVGHEEKZXOH-DOMZBBRYSA-N 364.898 4.574 0 50 FJAA COc1cc(C)c(-c2nc(NC(=O)C[C@@H]3CC3(F)F)sc2C)cc1C 1940198324 FUQQGLGZZHZKKS-GFCCVEGCSA-N 366.433 4.728 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 849012 GJNSQCKRPDVTSC-UHFFFAOYSA-N 364.401 4.571 0 50 FJAA Cc1ccc(C)c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c1 944644 UAMBBWLIIDNRQR-UHFFFAOYSA-N 369.515 4.528 0 50 FJAA CCCc1cc(C(=O)OC)c(NC(=O)c2cccc(OC(C)C)c2)s1 1190464 GPVLVQBWABXCSC-UHFFFAOYSA-N 361.463 4.527 0 50 FJAA Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccc(F)cc2)cs1 1384306 KHHROYQQNPKBFU-UHFFFAOYSA-N 354.385 4.523 0 50 FJAA CCCOc1cccc(C(=O)Nc2sc(CCC)cc2C(=O)OC)c1 2756585 RHOPALQJOICYAY-UHFFFAOYSA-N 361.463 4.528 0 50 FJAA CCOC(=O)c1ccccc1-c1cn2cc(C(F)(F)F)cc(Cl)c2n1 4002417 YVJPADXTHUEOOZ-UHFFFAOYSA-N 368.742 4.850 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 4843345 XNDSUKBWKJGQQU-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Br)cc1 4992151 NVZIRDRQLAHHTQ-UHFFFAOYSA-N 373.275 4.754 0 50 FJAA CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1 5643168 VCLZNSKKBGUXBB-ZUZCIYMTSA-N 365.886 4.615 0 50 FJAA CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 11903225 ZBYYTKBAPVUMFP-CYBMUJFWSA-N 353.491 4.807 0 50 FJAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1 12710207 AJQHTQDDBYSHEQ-IBGZPJMESA-N 371.443 4.607 0 50 FJAA O=C(c1ccncc1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71681425 PMIFRNWNVOISAP-HNNXBMFYSA-N 362.395 4.585 0 50 FJAA C[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 71786697 MNOBWYXQIILDKX-FQEVSTJZSA-N 359.469 4.821 0 50 FJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cc2cc(OC)ccc2n1C 215400155 RZHSYJQKDAMAIH-LJQANCHMSA-N 365.477 4.585 0 50 FJAA CCc1cc2c(N[C@@H](C)c3cccc(-n4ccnc4)c3)nc(C)nc2s1 1875321442 IOWSCWZJCSPMQE-ZDUSSCGKSA-N 363.490 4.921 0 50 FJAA COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 826450 JXJNRODPYGOYGE-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA CC(C)c1ccc(CNC(=O)CSc2cccc3cccnc23)cc1 828937 MWRUPEQEDXOTQI-UHFFFAOYSA-N 350.487 4.767 0 50 FJAA O=C(Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)c1ccco1 947023 YDMAPBJNPTZOML-UHFFFAOYSA-N 366.756 4.926 0 50 FJAA biogenic Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 2846347 PCLPBFNDVLBTBB-JTQLQIEISA-N 356.278 4.520 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 6700655 WWXKSNDTVPLZRW-HUUCEWRRSA-N 370.880 4.995 0 50 FJAA O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc12)N1CCCCCC1 6829170 XXYVMSDBLXNEGV-UHFFFAOYSA-N 365.864 4.966 0 50 FJAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)cc1C 12318354 FDUCONKQGAFDBC-HXUWFJFHSA-N 359.473 4.568 0 50 FJAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)[C@H](C)c1ccon1 12443243 JUCXZELPUKEBNM-LLVKDONJSA-N 365.355 4.850 0 50 FJAA CCCOc1ccc([C@@H]2CC(=O)Nc3cc(OCC)c(OCC)cc32)cc1 17075740 RNFCSWYCIIAMDU-KRWDZBQOSA-N 369.461 4.747 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(C[C@@H]2CC=CCC2)C1 216184770 ZPNSOHUNLGXFFF-CVEARBPZSA-N 357.448 4.891 0 50 FJAA 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 257349967 SXJDNUFKBLXQHF-LMLDJKJJSA-N 362.554 4.769 0 50 FJAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(OCc2ccccc2)cc1 656700 KGEQOPVOQYVHSL-NTUHNPAUSA-N 373.408 4.646 0 50 FJAA O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc2ccccc2c1 949201 MNYFXMLPIUIRPB-UHFFFAOYSA-N 370.404 4.697 0 50 FJAA COC(=O)[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCCC1 1122219 XQFQBANTSCLMQJ-HNNXBMFYSA-N 358.265 4.692 0 50 FJAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1 2052355 BVNSIFSGEFIJSK-UHFFFAOYSA-N 356.491 4.609 0 50 FJAA Cc1cc2nc(SCCOC(=O)NC3CCCCC3)nc(C)c2cc1C 2327114 XVFRNLJSRRPYOB-UHFFFAOYSA-N 373.522 4.706 0 50 FJAA Cc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1C 2789193 WOOXELVUHLEOAY-ZDUSSCGKSA-N 355.821 4.554 0 50 FJAA COc1ccc(OC)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 2875226 CEBZFARSPPRUNC-UHFFFAOYSA-N 369.461 4.769 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)Nc1ccccc1-2 3664271 QLMLYTJVSIXODK-SFHVURJKSA-N 364.474 4.852 0 50 FJAA CC(=O)c1c(C)nn([C@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 4511312 RKEWOVBZUKDYNC-SECBINFHSA-N 368.264 4.599 0 50 FJAA COc1cc(C(=O)Nc2ccccc2F)ccc1OCc1ccc(C)cc1 4867654 LOWNJFSNOSYEGL-UHFFFAOYSA-N 365.404 4.974 0 50 FJAA Cc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCC2=CCCCC2)cc1 12056867 UHPABZNOCUGEHZ-JOCHJYFZSA-N 366.549 4.604 0 50 FJAA O=C(c1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCCCCC1 12298456 VIKSHCVTDAQGSW-UHFFFAOYSA-N 359.882 4.732 0 50 FJAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccc(F)cc3F)c2C)c1 13331467 IHZQMVNIELMHFG-UHFFFAOYSA-N 370.403 4.779 0 50 FJAA C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 18276237 MYEYHWWQCKHFML-HDICACEKSA-N 372.468 4.669 0 50 FJAA c1ccc2c(CN3CCN(Cc4c[nH]c5ccccc45)CC3)cccc2c1 19360185 UCUYMXSMUBCWGS-UHFFFAOYSA-N 355.485 4.639 0 50 FJAA C[C@@]1(c2ccncc2)Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 25572946 JKTAGXCCYMLMKN-IRLDBZIGSA-N 359.404 4.637 0 50 FJAA CCC1CCC(N(Cc2csc(N(C(C)=O)C3CC3)n2)C2CC2)CC1 172156014 PJAXBIRAJGAMFA-UHFFFAOYSA-N 361.555 4.592 0 50 FJAA COc1ccccc1-c1ncc(CN2CCC[C@H]2c2c(C)noc2C)s1 215404919 DRNMNUYQESXAAA-KRWDZBQOSA-N 369.490 4.761 0 50 FJAA Cc1nc2ccc(NC(=O)N(Cc3ccsc3)C3CCCC3)cc2[nH]1 244787664 QBDWBPCUPJQEIS-UHFFFAOYSA-N 354.479 4.910 0 50 FJAA COC(=O)c1sc(-c2ccc(Oc3ccc(OC)cc3)cc2)cc1N 328579130 TWPDWTIWTGEZPY-UHFFFAOYSA-N 355.415 4.585 0 50 FJAA in-vitro C[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc2ccncc2s1 850470009 XPTZEWJAVIWNSU-IAQYHMDHSA-N 366.408 4.699 0 50 FJAA c1csc(CN2CCCN(Cc3ccccc3OC3CCCC3)CC2)c1 1506422751 DHFGPWVBQPQMQK-UHFFFAOYSA-N 370.562 4.777 0 50 FJAA Cc1cc(CN[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(C)nn1 2325788596 QXHOKVUJZPQJKD-QGZVFWFLSA-N 368.481 4.523 0 50 FJAA CC(C)C1CCC([C@](C)(O)CNC(=O)[C@@H]2CC=Cc3ccccc32)CC1 2325842016 LVKMDOUBPJLFND-ZJIWQVHUSA-N 355.522 4.517 0 50 FJAA O=C(NOc1ccccc1Cl)c1ccc(C(F)(F)F)c(Cl)c1 2325874680 WXNGWQGVBNBHER-UHFFFAOYSA-N 350.123 4.736 0 50 FJAA COc1cc(OC)c(CNc2cc(C)cc(C)c2)cc1Br 851055 XHPRVBLFFZMYOR-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 943306 ZXJKLUWMYCNWKS-CXUHLZMHSA-N 359.425 4.926 0 50 FJAA biogenic COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2F)cc1 1144604 IAZAQUKGVSFWPC-UHFFFAOYSA-N 351.377 4.666 0 50 FJAA CCCCOc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 1791404 GIPPNJOSONPPJN-UHFFFAOYSA-N 353.447 4.636 0 50 FJAA O=C(NCCOc1ccccc1Cl)C(c1ccccc1)c1ccccc1 2322109 ZHYWTSYVCAHCDL-UHFFFAOYSA-N 365.860 4.667 0 50 FJAA O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2)CC1 2696149 QUHAGFXUEAOZFL-UHFFFAOYSA-N 374.868 4.656 0 50 FJAA C[C@@H]1CCc2c(sc3nc(SCc4ccccc4F)n(C)c(=O)c23)C1 4985714 MCQKYNOKPSGHOY-LLVKDONJSA-N 374.506 4.551 0 50 FJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C\c1ccccc1 5046762 QCBJDAQPHATMML-BENRWUELSA-N 355.397 4.850 0 50 FJAA Cc1cc(C)c(OCCOCCOc2cccc3cccnc23)c(C)c1 5749549 LAMBMPPXPVGLEV-UHFFFAOYSA-N 351.446 4.634 0 50 FJAA Cc1ccccc1CN(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 12441821 PBWRWHBGAONDMV-DEOSSOPVSA-N 370.581 4.631 0 50 FJAA COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13746215 VRPGXBJGYKQGAB-AWEZNQCLSA-N 354.450 4.653 0 50 FJAA Cc1ccc(CNc2nncc(-c3cccc(C(F)(F)F)c3)n2)s1 20997272 AGFGNMZOOQUQDE-UHFFFAOYSA-N 350.369 4.539 0 50 FJAA Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)c1 35561766 WAYHSYZKPOQTOJ-LJQANCHMSA-N 366.461 4.915 0 50 FJAA CC(C)c1cc(=O)[nH]c(-c2ccccc2CN(C)C2CCCCCC2)n1 48373870 LSQKLWSAHAMXLS-UHFFFAOYSA-N 353.510 4.715 0 50 FJAA Cc1cc(C(=O)N2CCCN(c3ccccc3C)CC2)c2cccc(C)c2n1 82147011 OSDJSHUCVMVQPC-UHFFFAOYSA-N 373.500 4.513 0 50 FJAA c1csc(Oc2ccc(OCc3csc([C@H]4CCCO4)n3)cc2)n1 153435886 QMSKLYCXDLUOCL-OAHLLOKOSA-N 360.460 4.822 0 50 FJAA CC[C@H](C)c1ccc(NC(=O)COc2ccc(-c3nncs3)cc2)cc1 225544207 UUCSSDNWWFHOBF-AWEZNQCLSA-N 367.474 4.736 0 50 FJAA O=C(Nc1ccc2ncccc2c1)N(Cc1ccsc1)C[C@H]1CCCO1 299776989 JACKOMQSAWEHEE-GOSISDBHSA-N 367.474 4.509 0 50 FJAA CCC[C@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccccn3)cc2)cc1 426667369 KDMRLXVDDRBXPD-QHCPKHFHSA-N 374.484 4.854 0 50 FJAA Cc1cc([C@@H](NCc2ccc3ncccc3c2)c2cccnc2)ccc1F 479483586 NQJJKSYBIMPZBO-HSZRJFAPSA-N 357.432 4.957 0 50 FJAA c1ccc(CC(Cc2ccccc2)CN2CCOC[C@H]2CC2CCC2)cc1 1875344251 ICUNTTPCFAIRIH-RUZDIDTESA-N 363.545 4.979 0 50 FJAA CCc1ccccc1N(C)CC(=O)NC1c2ccccc2-c2ccccc21 2325853117 DPKVDTAZHBKYHV-UHFFFAOYSA-N 356.469 4.571 0 50 FJAA Cc1oc2ccccc2c1CN(C)C1=NC[C@@H](c2ccc(Cl)cc2)N1 2325864531 RHRWFNAAIRDWFT-SFHVURJKSA-N 353.853 4.527 0 50 FJAA CSc1nnc(-c2cccc(NC(=O)c3cccc4ccccc34)c2)n1C 680612 RTAHLZFXJAUOFV-UHFFFAOYSA-N 374.469 4.610 0 50 FJAA CCOC(=O)N1CCC(N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 757900 VLQNFQKQXKPXFT-HXUWFJFHSA-N 372.896 4.640 0 50 FJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 1080598 IIGUBCSMYHCTFE-OAHLLOKOSA-N 369.436 4.864 0 50 FJAA O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(Cl)cc1 1171569 MMBCOQSPZOXPEH-UHFFFAOYSA-N 364.828 4.976 0 50 FJAA CCc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)s1 1230673 QQWYXXPCCMWWRE-UHFFFAOYSA-N 362.248 4.986 0 50 FJAA CC(C)Oc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 2316550 XHVLHLPVSGCQKO-UHFFFAOYSA-N 358.488 4.814 0 50 FJAA Cc1cccc(OC(=O)COc2ccc(Br)cc2Cl)c1C 2882813 SVSXAWPFQOJXPN-UHFFFAOYSA-N 369.642 4.704 0 50 FJAA CCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 2970915 SJDJLZLFDUJRTD-UHFFFAOYSA-N 361.825 4.558 0 50 FJAA Cc1cc(SCC(=O)c2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 5575497 NZRDPMITMSJFLS-UHFFFAOYSA-N 373.481 4.988 0 50 FJAA COc1ccc(CCNCc2cccc(Oc3ccccc3)c2)cc1OC 19831553 SPTYPHKZQPMVEL-UHFFFAOYSA-N 363.457 4.828 0 50 FJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCSCC1 20999701 ZIQSQEZGDDFNRB-UHFFFAOYSA-N 350.487 4.866 0 50 FJAA O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CN2CCCC2)cc1 44917285 WZIXVGGRXSASCE-UHFFFAOYSA-N 364.489 4.856 0 50 FJAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3sc(C(C)C)nc3C)[nH]c2c1 61229955 OZXAJKADYMHVKT-MRXNPFEDSA-N 368.506 4.737 0 50 FJAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCc1coc(-c2ccccc2)n1 91547309 QKLXTGXREPKTLB-UHFFFAOYSA-N 373.456 4.607 0 50 FJAA CCn1ccnc1C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 95523453 JKIXNZQKSMHMIP-UHFFFAOYSA-N 356.470 4.550 0 50 FJAA O=C(Nc1ccc(Br)cn1)c1ccc(Oc2ccccc2)cc1 716783 HOOAGGKFJYVJFQ-UHFFFAOYSA-N 369.218 4.889 0 50 FJAA COc1cc(OC)c(NC(=O)c2c(Cl)cccc2Cl)cc1Cl 1136166 GQIWCWWYCFTOMM-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA CCc1ccc(OCc2nc(-c3ccccc3)no2)c(Br)c1 1139937 PRQAFCFBTJJURE-UHFFFAOYSA-N 359.223 4.641 0 50 FJAA Cc1cccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 2941428 QRPTWRFHSQNCRB-UHFFFAOYSA-N 360.891 4.990 0 50 FJAA Cc1nc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cs1 3505936 AVTJVAJGMUWLBF-UHFFFAOYSA-N 354.460 4.585 0 50 FJAA CC[C@@H](OC(=O)c1ccc2c(c1)-c1ccccc1C2=O)C(=O)c1ccccc1 4525893 YWHUBYZPKPWQNV-OAQYLSRUSA-N 370.404 4.716 0 50 FJAA CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c(O)cc1O 5013091 DQGTXSGJJUMZCR-UHFFFAOYSA-N 351.431 4.635 0 50 FJAA Fc1cccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)c1 6738904 KZOQNTZGQJMJGV-UHFFFAOYSA-N 361.424 4.828 0 50 FJAA CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1 20603236 NTMSJEQULMBUNR-UHFFFAOYSA-N 373.428 4.956 0 50 FJAA Cc1nc(-c2cccc(N3CCC(NCCc4ccco4)CC3)c2)cs1 23368872 HLIFRRJILQGHRQ-UHFFFAOYSA-N 367.518 4.513 0 50 FJAA Clc1cccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 55292203 ZERALKDNTNPIKK-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA Cc1nc(Nc2cccc(Cl)c2Cl)sc1-c1ccnc(N)n1 221597560 SALPYELFSKDPMS-UHFFFAOYSA-N 352.250 4.541 0 50 FJAA CCc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3cnc4ccccc4n3)C2)cc1 225512100 PKQWKTKQIDMZSB-JOCHJYFZSA-N 372.472 4.526 0 50 FJAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 240407409 FMAUFLZCNHINFW-VMXMFDLUSA-N 367.489 4.586 0 50 FJAA CC(=O)Nc1cccc([C@H](C)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 252533191 GFIKGCLTMJWPPT-ARBPTSGCSA-N 368.477 4.500 0 50 FJAA CCOc1ccc(NCc2cnc(-c3ccc(Cl)cc3)s2)cc1CO 790551728 ZURJWQYFYSICCG-UHFFFAOYSA-N 374.893 4.967 0 50 FJAA Cc1nccc(-c2ccc(NC(=O)c3scnc3C3CCCC3)cc2)n1 1875259977 USFWJHGNGLETLS-UHFFFAOYSA-N 364.474 4.818 0 50 FJAA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1 756264 PAWMDFURAZONCN-UHFFFAOYSA-N 371.502 4.785 0 50 FJAA CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)c1ccccc1 993959 WCMIWQBDVFTJTO-UKRRQHHQSA-N 371.502 4.792 0 50 FJAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 1049804 DWQNJMUTVZNTAV-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA O=C(CSc1ccc2ccccc2n1)Nc1cccc(C(F)(F)F)c1 1096620 HHBMPYAIBXOSMY-UHFFFAOYSA-N 362.376 4.984 0 50 FJAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CCCCC1 1114193 FZTYIHRAOPQZLS-UHFFFAOYSA-N 361.438 4.860 0 50 FJAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccccc3)c2c1 2867718 LGPNSXPQNKZXTQ-UHFFFAOYSA-N 367.452 4.844 0 50 FJAA C/C=C/c1ccc(OCCCOc2c(OC)cccc2OC)c(OC)c1 2985415 TYIIVBDXRKWTKV-VMPITWQZSA-N 358.434 4.593 0 50 FJAA CCCCCC(=O)N[C@H](Nc1ccccc1C)C(Cl)(Cl)Cl 3153138 WUSPLVMZMBEMED-AWEZNQCLSA-N 351.705 4.800 0 50 FJAA Cc1cc2nc(CN(C)Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1C 12463278 MBCIWCRLOBMOOU-UHFFFAOYSA-N 366.490 4.837 0 50 FJAA Cc1cc2oc(=O)cc(CN[C@H](C)c3nc4c(s3)CCCC4)c2cc1C 65463949 SAVADIGHUSGQFV-CQSZACIVSA-N 368.502 4.596 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C2CCCC2)[nH]n1 135702456 ZEODPZCHGPHWEJ-UHFFFAOYSA-N 370.840 4.936 0 50 FJAA O=Cc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 148754543 YKURYGCYBKKVRF-UHFFFAOYSA-N 357.409 4.538 0 50 FJAA C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCC2)CC1 176032005 LHGFFRHHHLRREE-INIZCTEOSA-N 369.509 4.542 0 50 FJAA O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 252444132 AJNCNBVGZHXQGT-HZSPNIEDSA-N 353.915 4.840 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 299768449 VJMRDEHIHWEYCY-LJQANCHMSA-N 368.477 4.785 0 50 FJAA CC[C@@H](C)n1nc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1C 330730704 IGWUTQCWNIZXKW-IUODEOHRSA-N 362.543 4.884 0 50 FJAA Cc1cc(CN[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(C)nn1 2325788595 QXHOKVUJZPQJKD-KRWDZBQOSA-N 368.481 4.523 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 670391 BSZAGWCZBWPHRI-NSHDSACASA-N 352.217 4.602 0 50 FJAA CC(C)c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 692591 ADURYXIRBLOGOG-UHFFFAOYSA-N 353.340 4.726 0 50 FJAA CCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 989981 DLPZOOSOWNYQGJ-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA CCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)Nc2ccccc2C)c1 1059294 RIYPNOQWNZYYHA-UHFFFAOYSA-N 365.477 4.586 0 50 FJAA Brc1cccc(CSc2ncc(-c3ccccc3)nn2)c1 1117063 HOHLDEMFWJSFBM-UHFFFAOYSA-N 358.264 4.593 0 50 FJAA CCOc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)c1 1187855 MKIARJFUUAZHKJ-UHFFFAOYSA-N 360.385 4.739 0 50 FJAA CC[C@]1(C)Cc2c(sc3[nH]c(SCc4ccccc4)nc(=O)c23)CO1 1196059 YWLMLUNLULPYOG-LJQANCHMSA-N 372.515 4.518 0 50 FJAA CC(=O)[C@@H](C)Oc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 1397896 RWNVSZYSWZEDAQ-SNVBAGLBSA-N 359.731 4.902 0 50 FJAA Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)O)c1C 4865570 LHNRQKHYFWGBQD-UHFFFAOYSA-N 365.454 4.834 0 50 FJAA C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1C(F)(F)F 7058572 NZNRFZLURCRPGG-JTQLQIEISA-N 365.380 4.701 0 50 FJAA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)c1 12099172 ITNLBAWEURUABZ-LJQANCHMSA-N 365.521 4.903 0 50 FJAA CC(C)N(C)Cc1cccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)c1 63870051 UNULLZALXFWGRO-UHFFFAOYSA-N 367.880 4.598 0 50 FJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 95366389 DSIGOUPXLWWZNH-SFHVURJKSA-N 365.477 4.758 0 50 FJAA COc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(Cl)cccc2n1C 97546470 SQTXKYIOWUYIMR-ZDUSSCGKSA-N 356.853 4.674 0 50 FJAA COc1cc(C)c(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1C 239339020 LPDWVKCSVCIFOF-JTHBVZDNSA-N 356.554 4.541 0 50 FJAA O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@@H]1Cc2ccccc21 763010239 HYROPWPAVRBESK-DHIUTWEWSA-N 357.453 4.631 0 50 FJAA COc1ccc(-c2nc(CC(C)C)n(CCC(F)(F)F)n2)cc1Cl 1875348570 VTWFLULQNIBFHF-UHFFFAOYSA-N 361.795 4.758 0 50 FJAA Cn1c(C(=O)O[C@@H](Cc2ccccc2)c2cccnc2)cc2ccccc21 2325827056 UIEYKUCSVISVRL-QFIPXVFZSA-N 356.425 4.714 0 50 FJAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cn1 864643 UBXIFAMNIYLJST-UHFFFAOYSA-N 361.026 4.795 0 50 FJAA Cc1nnc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)s1 959317 KCCWOGAVIVBPER-UHFFFAOYSA-N 361.511 4.578 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc2c1CCCC2 1112241 NYLXCCCQJHOSRJ-UHFFFAOYSA-N 357.475 4.673 0 50 FJAA Cc1cc2nc(-c3cc(NC(=O)Cc4ccccc4)ccc3O)oc2cc1C 1207282 ZPKDQJMBOYZKKW-UHFFFAOYSA-N 372.424 4.998 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 1210771 ROEBLGAMQGOBFP-UHFFFAOYSA-N 352.246 4.601 0 50 FJAA COc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CCCC2)cc1OC 2417055 WHUKYQSIYPZTQX-UHFFFAOYSA-N 359.853 4.808 0 50 FJAA COc1ccc(Cl)cc1NCCC(=O)c1ccc(Br)cc1 2521065 UAOZJPRJHQDPMB-UHFFFAOYSA-N 368.658 4.796 0 50 FJAA O=C1c2ccccc2-c2nn(C(=O)c3cccs3)c(-c3ccccc3)c21 2582168 YHRLUUVWMIZRKK-UHFFFAOYSA-N 356.406 4.512 0 50 FJAA Cc1ccc(NC(=S)NCCOc2cccc3ccccc23)c(C)c1 2873307 SDDCBUIJQMCENR-UHFFFAOYSA-N 350.487 4.822 0 50 FJAA CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cc(C)ccc1C 4884461 PUNKBURGNJUTPK-UHFFFAOYSA-N 362.473 4.787 0 50 FJAA O=C(Nc1ccccc1Br)c1ccc(CN2CCCCC2)cc1 10333823 UYXFFZBLFDMOOJ-UHFFFAOYSA-N 373.294 4.687 0 50 FJAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 12137905 WUZUUQGQLPZDPI-QGZVFWFLSA-N 365.351 4.516 0 50 FJAA Cc1c([C@H](C)NCc2c(C)n(C)c3ccccc23)cnn1-c1ccccc1 12435042 JFVYMMDWFKSKLR-INIZCTEOSA-N 358.489 4.832 0 50 FJAA COc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1OC 13330001 ZGDIBHWTVXBQHR-SNVBAGLBSA-N 369.248 4.893 0 50 FJAA CC[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27645296 FFXKPSNQCPNORO-SDRHCZSHSA-N 362.510 4.715 0 50 FJAA endogenous,in-man Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc2cc(Cl)ccc12 67965865 OULFJSFSHLYBDE-UHFFFAOYSA-N 352.869 4.705 0 50 FJAA CC[C@H]1c2ccsc2CCN1C(=O)C(C)(C)c1ccc(OC)c(OC)c1 120953731 HLWKZSMUWWIELY-INIZCTEOSA-N 373.518 4.579 0 50 FJAA Cc1nc(S[C@H](C)c2ncc(C(C)(C)C)o2)n(C[C@@H]2CCCO2)c1C 170650869 YQEMQQFXPZQPKI-CABCVRRESA-N 363.527 4.818 0 50 FJAA CCc1ccc(NC(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1Cl 490854370 MNBMTGLOQCGZRO-UHFFFAOYSA-N 367.280 4.621 0 50 FJAA COCCn1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c2ccccc21 497334318 WLHAMSHPTXHLJZ-QGZVFWFLSA-N 372.468 4.932 0 50 FJAA CCCC[C@@H](CC)CNC(=O)c1cccc2c1nc(O)n2CC(C)(C)C 1875356609 NBXAZXSZGYJPST-OAHLLOKOSA-N 359.514 4.734 0 50 FJAA O=S(=O)(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 992688 WLXVIOKHVSFGOC-UHFFFAOYSA-N 359.834 4.933 0 50 FJAA COC(=O)c1sccc1NC(=O)c1csc(C)c1-c1ccccc1 1054222 IJEJFBFLVWKDPR-UHFFFAOYSA-N 357.456 4.824 0 50 FJAA O=C(Oc1ccc(Cl)cc1)c1ccc(COC(=O)c2ccco2)cc1 1075247 KMMDUFYJBJVMBX-UHFFFAOYSA-N 356.761 4.509 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C 1158534 BAJLVXOSJQDYKF-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA O=C(O)[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 1168490 HARVQWZXNSNBQV-QFIPXVFZSA-N 372.376 4.665 0 50 FJAA biogenic COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC 1212463 ZTKOTLIHWQEFMV-UHFFFAOYSA-N 357.793 4.870 0 50 FJAA COc1ccc(O[P@](C)(=O)Nc2ccccc2Br)cc1 1232642 SBBBJTZPLAGIBL-FQEVSTJZSA-N 356.156 4.772 0 50 FJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Nc1ccccc1F 1303304 YEUKEGYZUZJKTL-UHFFFAOYSA-N 362.817 4.565 0 50 FJAA O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1 2756093 PZQCDTFVPWETSB-HSZRJFAPSA-N 352.437 4.956 0 50 FJAA Cc1c(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)[nH]c2ccc(Cl)cc12 11822082 MUGZEGFWIDIVFH-QGZVFWFLSA-N 367.880 4.846 0 50 FJAA CC(=O)c1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11874253 SSRMLGYDQZKJGQ-HXUWFJFHSA-N 364.489 4.729 0 50 FJAA CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)cnn23)cc1 21799029 GKKBOAPUIYWZLT-UHFFFAOYSA-N 362.408 4.986 0 50 FJAA Cc1ccc2c(C)c(C(=O)N(C)Cc3ccccc3-n3cccn3)oc2c1 91915135 VSUNYTVRWAJPQN-UHFFFAOYSA-N 359.429 4.508 0 50 FJAA CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cn(-c2ccccc2)nc1C 183709023 JWZRTFKVGWIFOI-GOSISDBHSA-N 366.490 4.784 0 50 FJAA Cl[C@@]12C[C@H]3C[C@@H](C1)[C@H](N[C@H]1[C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@H](C3)C2 239165218 NRVVIVURBWFXID-ZYJARPOASA-N 354.365 4.948 0 50 FJAA O=C1CCCN1Cc1ccc(Nc2ncnc3sc4ccccc4c23)cc1 440635665 DHNADMMRMDKXHQ-UHFFFAOYSA-N 374.469 4.711 0 50 FJAA Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(-c4cnn(C)c4C)cc3)C2)c1 534670779 YDEMEGDJXKSHLE-JOCHJYFZSA-N 373.500 4.724 0 50 FJAA O=C(c1ccc(F)c2ccccc12)N1CCC[C@@H]1C[C@@H](O)c1cccs1 797736838 HNCAAEDOANAKIF-AUUYWEPGSA-N 369.461 4.769 0 50 FJAA O=C(C[C@H]1CNc2ccccc21)NCc1cccc(Oc2ccccc2)c1 1875332687 FEVPKZFISGWJAO-SFHVURJKSA-N 358.441 4.695 0 50 FJAA CC(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1NCC(F)(F)F 1875357679 QVQZVIIBIRGIAE-GXTWGEPZSA-N 362.823 4.869 0 50 FJAA CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3ccccc3)c(C)s2)c1C 1094561 LZPLSGPBELCVGY-UHFFFAOYSA-N 352.459 4.931 0 50 FJAA COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1218602 DEQJJHOQMVCBID-UHFFFAOYSA-N 363.257 4.985 0 50 FJAA CCCCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1787822 VGPWFURYTANLFD-NTUHNPAUSA-N 355.434 4.535 0 50 FJAA C[C@@H]1CCC[C@H](N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 2735246 SFOSMKKSCGZSAJ-XXBNENTESA-N 362.517 4.690 0 50 FJAA COc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 2869922 WAWRHUSGCKLGBW-UHFFFAOYSA-N 371.392 4.721 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1ccccc1C)Nc1ccccc1-2 3003882 PTIIUJSFGSQHIR-SFHVURJKSA-N 364.474 4.852 0 50 FJAA CC[C@H](C)NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5061681 CRSBMRJNJIXPFW-WFASDCNBSA-N 365.304 4.850 0 50 FJAA O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCc1ccccc1 5768890 DWGROQGMQQLFGX-UHFFFAOYSA-N 374.267 4.694 0 50 FJAA CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 16527071 RSEXTVRYNKLARL-QGZVFWFLSA-N 370.880 4.997 0 50 FJAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1sc(C(C)C)nc1C 55283824 NRSDWEVQMNYMKU-UHFFFAOYSA-N 356.447 4.550 0 50 FJAA CSc1ccc(-c2nccn2C2CCN(Cc3ccncc3)CC2)cc1 71499206 FWODKLLEKSXYJC-UHFFFAOYSA-N 364.518 4.504 0 50 FJAA O=C(NCc1scnc1-c1ccccc1)c1ccc([C@@H]2CCCO2)s1 91586495 CTHZIDOJGANYEP-AWEZNQCLSA-N 370.499 4.653 0 50 FJAA CC(C)CN(C(=O)c1noc2c1CCCCC2)[C@@H]1CCCc2cccnc21 158162472 AJUIIHLTAXPNDY-GOSISDBHSA-N 367.493 4.514 0 50 FJAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1Cl 239025568 BTYRELSNOQTVBI-TWRRNRRFSA-N 365.860 4.578 0 50 FJAA FC(F)c1ccc(C[C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)cc1 1875264150 XILCZFSZKGYHRT-HNNXBMFYSA-N 357.404 4.672 0 50 FJAA Cc1c(Br)cc(OC(=O)c2ccccc2)cc1Br 639998 FOLJCEGNCQFGIJ-UHFFFAOYSA-N 370.040 4.739 0 50 FJAA O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 1011769 PKRBXCFOCLHFMF-AUWJEWJLSA-N 366.225 4.940 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)ccc1Cl 1064316 NWHHZFUPWQMSAO-UHFFFAOYSA-N 372.896 4.902 0 50 FJAA COc1ccc(OCCCCOc2ccc(Br)cc2)cc1 2904696 JYWKMCACJVNTSX-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA CC(C)(C)c1ccc(Cn2cnc3ccc(Br)cc3c2=O)cc1 4542317 WEYSSHUQQDKXDC-UHFFFAOYSA-N 371.278 4.505 0 50 FJAA N=C1NC(=O)/C(=C/c2cccc(OCc3cccc4ccccc34)c2)S1 5650287 RARXDCVMDHDSET-UNOMPAQXSA-N 360.438 4.557 0 50 FJAA CCCCC[C@H](C)n1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21 6042570 KJLTUXHNZZZVJP-AWEZNQCLSA-N 368.481 4.875 0 50 FJAA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 11842300 IDUKTILQISADCC-HSZRJFAPSA-N 364.533 4.522 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccccn2)C1 12305073 DNTGSFAWVLLJCK-QFIPXVFZSA-N 356.469 4.844 0 50 FJAA COCCOc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(F)cc1 96149264 NRBFTTZSMXONHG-IBGZPJMESA-N 372.440 4.610 0 50 FJAA CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3)C[C@@H]21 226522175 CVNMIRONZCQHJW-REWPJTCUSA-N 371.440 4.723 0 50 FJAA CC(C)Cc1ccc([C@H](C)c2nc3nccc(-c4ccncc4)n3n2)cc1 253404162 HRYFIXARNNSIEA-INIZCTEOSA-N 357.461 4.537 0 50 FJAA CCC(CC)N(C(=O)c1oc(C2CC2)nc1C)[C@H]1CCCc2cccnc21 800959917 JKUKSOZLZHFFBQ-SFHVURJKSA-N 367.493 4.964 0 50 FJAA CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccncc1Oc1ccccc1 1361282597 QUMBCBAQLPSFPV-UHFFFAOYSA-N 357.413 4.627 0 50 FJAA O=C(N[C@H]1CCC[C@H](c2ccc(F)cc2)C1)c1cc(O)nc2ccccc12 1875341003 CAINAEHOVHIIHG-RDJZCZTQSA-N 364.420 4.536 0 50 FJAA CCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 1125236 NJXCTPXSQKCUIB-UHFFFAOYSA-N 365.351 4.706 0 50 FJAA CC(C)c1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1 1147838 PCFYZJYPYFONKI-UHFFFAOYSA-N 374.238 4.597 0 50 FJAA COc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 1186460 YFVOFLIIEKPQGM-UHFFFAOYSA-N 374.396 4.770 0 50 FJAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 1461202 XBGMHVBJNSTQDA-AWEZNQCLSA-N 359.853 4.702 0 50 FJAA Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)c(F)c2)cc1F 1807098 MZJDNFIXPBCYLV-UHFFFAOYSA-N 360.404 4.719 0 50 FJAA O=C(Nc1ccc2c(c1)oc1ccccc12)C(=O)c1c[nH]c2ccccc12 2503948 ZPFJZALOOFNCJP-UHFFFAOYSA-N 354.365 4.889 0 50 FJAA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc2c(c1)OCO2 2750127 JOVQFXPLGSUHST-UHFFFAOYSA-N 374.421 4.944 0 50 FJAA CCCCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 2753309 KRHLNEKCZSKDCZ-UHFFFAOYSA-N 351.490 4.960 0 50 FJAA CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 2822252 XOTXOZWGZQIOCL-UHFFFAOYSA-N 354.450 4.712 0 50 FJAA c1ccc(-c2ccccc2OCCOCCN2CCc3ccccc3C2)cc1 2845413 DKOLTNOMOCFJKI-UHFFFAOYSA-N 373.496 4.807 0 50 FJAA O=C(Nc1cccc2nsnc12)c1ccc(-c2cccc(Cl)c2)o1 2966671 IPTGRSACOGFTEC-UHFFFAOYSA-N 355.806 4.857 0 50 FJAA aggregator Cc1ccn2c(C(=O)CSc3cccc(C(F)(F)F)c3)c(C)nc2c1 4003157 BNGSSQBXZCESEO-UHFFFAOYSA-N 364.392 4.945 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 5017043 HQRQUMGEEJQXCP-UHFFFAOYSA-N 370.449 4.507 0 50 FJAA Cc1cccc(C)c1NC(=O)c1ccc(-n2nncc2-c2ccccc2)cc1 11692789 BHAVPCOXWTVSTL-UHFFFAOYSA-N 368.440 4.803 0 50 FJAA CCn1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cn1 20615770 OPSKGIDQDIHZRN-UHFFFAOYSA-N 372.472 4.775 0 50 FJAA CCOC(=O)c1oc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c1N 25781624 BNZMNBUCAUVXFX-UHFFFAOYSA-N 364.323 4.581 0 50 FJAA FC(F)Oc1ccccc1C1=C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 100717327 BMSPNASRXDYFRD-OAHLLOKOSA-N 374.778 4.589 0 50 FJAA Cc1csc(N(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C2CC2)n1 131619229 JXCGVGASHPYESS-UHFFFAOYSA-N 369.877 4.976 0 50 FJAA C[C@H]1CCN(C(=O)c2csc(-c3ccccn3)n2)c2ccccc2S1 195011155 WGVORWPBJHPUQB-ZDUSSCGKSA-N 367.499 4.736 0 50 FJAA CCCCCCC1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc(Cl)cc1 239331295 KLBPIDLYDHSJTG-UNMCSNQZSA-N 368.908 6.504 0 50 FJAA O=C1C[C@H](C(=O)N2Cc3ccccc3-c3ccccc3C2)c2ccccc21 476002652 WREAQGJMDUCVGN-QFIPXVFZSA-N 353.421 4.566 0 50 FJAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccnc2ccccc12 670452715 ZDYFMXOXOYVPHX-QHCPKHFHSA-N 373.500 4.582 0 50 FJAA C[C@H]1CC[C@@H](C2CCCCC2)CN1C(=O)c1cccc2ccc(O)nc12 1875327757 JYGHNHAULAOOLF-MAUKXSAKSA-N 352.478 4.761 0 50 FJAA Cc1cccc(-c2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2)c1 1875345770 IPZKDUUSIFCXPL-FQEVSTJZSA-N 356.425 4.727 0 50 FJAA CCOc1cc(C(=O)Oc2ccccc2Cl)cc(OCC)c1OCC 959494 XCHUHPAAAOQLAE-UHFFFAOYSA-N 364.825 4.755 0 50 FJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Br 997264 BQXMPAXTEQOSGX-SNVBAGLBSA-N 354.631 4.509 0 50 FJAA COc1ccc(OC)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1 1105717 CAKDFQMNXAFLGZ-UHFFFAOYSA-N 361.397 4.784 0 50 FJAA COc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1218158 DEVMQMKKCSZMMN-UHFFFAOYSA-N 363.257 4.985 0 50 FJAA CCCCc1ccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 2836453 DQZWRGWDOIHFDP-UHFFFAOYSA-N 371.525 4.687 0 50 FJAA Fc1ccc(N2CCN(C(=S)c3ccc(Cl)c(Cl)c3)CC2)cc1 2886135 VXSJHKSNCSKCGF-UHFFFAOYSA-N 369.292 4.630 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1ccccc1C)Nc1ccccc1-2 3003881 PTIIUJSFGSQHIR-GOSISDBHSA-N 364.474 4.852 0 50 FJAA CCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 4832365 FKVHQOIMGZWXAC-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3c(F)cccc3F)C2)c1 20109519 ABJVRBVFEIQNDN-HNNXBMFYSA-N 371.406 4.874 0 50 FJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccc(F)c3F)C2)c1 20293906 SUUQGAMPRHWMAT-INIZCTEOSA-N 371.406 4.874 0 50 FJAA CCOCCn1cnc(-c2ccccc2)c1-c1c(Cl)cncc1Cl 65386501 ILMQMNXPZUGWOI-UHFFFAOYSA-N 362.260 4.955 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)CCCOc3cccc(C)c3)oc2c1 91462394 MGAQWOMZNVCMMY-UHFFFAOYSA-N 367.445 4.599 0 50 FJAA Nc1c(Cl)cc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1Cl 119068814 OLLXHQKVMHOPLQ-UHFFFAOYSA-N 365.216 4.604 0 50 FJAA C[C@@H](CCC(=O)N[C@@H](c1cccs1)C(C)(C)C)NC(=O)OC(C)(C)C 170614738 NEBVQHAVOIBDKW-BBRMVZONSA-N 368.543 4.645 0 50 FJAA Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](c4ccncc4)C3)o2)cc1C 333749937 XMDBQLZKMYBDIK-XLIONFOSSA-N 362.477 4.689 0 50 FJAA CC1(C)C[C@H]2C[C@@](C)(CN2c2cc(C(=O)OC3CCCCC3)ccn2)C1 1875356645 OGXSADPCGSVFSP-HTAPYJJXSA-N 356.510 4.976 0 50 FJAA Cc1nscc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1 2325819974 WWKOPLFSFMKVJI-NWDGAFQWSA-N 362.252 4.535 0 50 FJAA COC(=O)c1c(-c2cccs2)csc1NC(=O)/C=C/c1ccccc1 679875 SBPONDBOOHJBEY-MDZDMXLPSA-N 369.467 4.915 0 50 FJAA CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccc(Cl)cc2Cl)N1 813355 MZGGBNPFQQLSFS-YVLHZVERSA-N 361.272 4.897 0 50 FJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 1120545 NUCINDYETNFFHD-UHFFFAOYSA-N 368.658 4.899 0 50 FJAA CCN(CC)c1ccc(NC(=O)c2ccccc2Br)c(C)c1 1158340 USHDVTACKUKWPO-UHFFFAOYSA-N 361.283 4.856 0 50 FJAA COc1ccc(CCCC(=O)Nc2ccc(Br)cc2)cc1C 1162409 UUSFFEPMJNLRTI-UHFFFAOYSA-N 362.267 4.728 0 50 FJAA CN(C)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 2876939 BGPXHPGFTGEKMW-UHFFFAOYSA-N 359.433 4.645 0 50 FJAA CCOc1cccc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c1 6784193 GDTZYLUMRQQVLE-UHFFFAOYSA-N 368.462 4.865 0 50 FJAA COCCCC1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 12073390 PAWJNESLVLXJGJ-UHFFFAOYSA-N 362.901 4.942 0 50 FJAA Fc1ccc([C@@H]2CCCCN2Cc2nc(CCc3ccccc3)no2)cc1 12075595 UPFKSYLNJVYZGJ-FQEVSTJZSA-N 365.452 4.721 0 50 FJAA Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1[C@H]1CCNC1 65455010 HBUBDKJTLFRNIH-IBGZPJMESA-N 370.456 4.715 0 50 FJAA O=C(c1cc(-c2ccccc2)on1)N1CCC2(C=Cc3ccccc32)CC1 72168016 VLOWANVWBRMOSG-UHFFFAOYSA-N 356.425 4.542 0 50 FJAA COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 238936931 SOLFGTIEYURABM-XSXPHNMFSA-N 361.557 5.467 0 50 FJAA Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](c4ccncc4)C3)o2)cc1C 333749940 XMDBQLZKMYBDIK-YLJYHZDGSA-N 362.477 4.689 0 50 FJAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](c2nc3ccccc3o2)C1 363700812 XDAYXPGDKCEQRG-INIZCTEOSA-N 373.412 4.503 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C4)C3)cc2)c(OC)c1 1565528243 HFTBRCBIAXGGHF-IRXDYDNUSA-N 365.473 4.633 0 50 FJAA O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(Cl)cc1 985520 DSXCTUFWUWOYDH-IBGZPJMESA-N 350.805 4.817 0 50 FJAA CCNc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 991890 MMSRQLJMQFIITM-UHFFFAOYSA-N 359.425 4.825 0 50 FJAA CCOc1ccccc1NC(=O)c1ccsc1NC(=O)c1ccoc1C 1055214 VMDYFGHARPDCBX-UHFFFAOYSA-N 370.430 4.553 0 50 FJAA CCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 2995032 WELNPLITDQCXMQ-UHFFFAOYSA-N 363.413 4.668 0 50 FJAA COc1ccc(CNC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 4541834 YLMSHTQLNUROTN-UHFFFAOYSA-N 369.848 4.858 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1C2CC3CC(C2)CC1C3 4599856 KFCNRRNKZOGWFV-SYSDIAMWSA-N 368.304 4.702 0 50 FJAA Cc1ccc2nccc(C(=O)N3CCC[C@H](Nc4ccc(C)c(C)c4)C3)c2c1 11843954 TWKZJJDEEPVQEA-FQEVSTJZSA-N 373.500 4.877 0 50 FJAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 12240980 DQVLQNPOZFOUGH-UHFFFAOYSA-N 371.406 4.874 0 50 FJAA Cc1cc(C)cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 15076494 WUOVHNFVCNCXGR-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA Cc1ccc(CNC[C@](O)(c2ccccc2)c2ccc(Cl)cc2)cc1 20219114 MYNKYKFAAVZKFR-QFIPXVFZSA-N 351.877 4.674 0 50 FJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cccc(C)c3)cc2)n1 64800724 GNSNHWWXTYSSDE-UHFFFAOYSA-N 361.449 4.521 0 50 FJAA COc1ccc2oc(CNCc3cnc(-c4ccccc4C)s3)nc2c1 65526701 BVMBEJZQOOBSBC-UHFFFAOYSA-N 365.458 4.558 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nn1 72437470 NGDRYSCTRSFOCV-UHFFFAOYSA-N 352.369 4.669 0 50 FJAA CSc1ccc(CN(C(=O)Nc2ccnn2C2CCCC2)C2CC2)cc1 96148980 HHLQMWVCQJQJOW-UHFFFAOYSA-N 370.522 4.917 0 50 FJAA COc1cc(F)c(NC(=O)c2cccc(-c3csc(C)n3)c2)cc1OC 170643297 FMQPIVPOGGARIH-UHFFFAOYSA-N 372.421 4.527 0 50 FJAA Cc1nc(CC2CCN(Cc3cccc(-c4ccccc4C)c3)CC2)no1 216267382 ISPHOKJSPSBWCR-UHFFFAOYSA-N 361.489 4.808 0 50 FJAA CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H](OC(C)=O)CC[C@H]23)[C@@]2(C)CC[C@@H]3C[C@@]132 257348694 IAAONRVTBJWTGZ-MBUSRXEWSA-N 374.521 4.502 0 50 FJAA Clc1ccc(-c2ccnc3nc(CCc4c[nH]c5ccccc45)nn23)cc1 263587333 FSKSPUDUXNUOFZ-UHFFFAOYSA-N 373.847 4.711 0 50 FJAA CN(Cc1cccc(OC2CCNCC2)c1)Cc1cccc2ccccc12 299789168 SCNBMAUNLVQAGL-UHFFFAOYSA-N 360.501 4.603 0 50 FJAA Cc1cccc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 410251613 ZBLJIFTYLVDNHV-UHFFFAOYSA-N 365.502 4.694 0 50 FJAA CC(C)[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 750445098 LSWXBIVWSMVHRD-GOSISDBHSA-N 370.836 4.873 0 50 FJAA C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 1118145 OHRXCHAKZJLALN-VIFPVBQESA-N 353.205 4.605 0 50 FJAA COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)sc3n2)c1 1125850 ZEECBIZWIAYIBD-UHFFFAOYSA-N 366.364 4.776 0 50 FJAA COc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 1168360 BRBRCJXVCOLDJM-KOENEWCDSA-N 355.437 4.931 0 50 FJAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N(C)C 1173491 YTMBJWAAGKGPCK-GFCCVEGCSA-N 367.276 4.774 0 50 FJAA Cc1ccc2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3O)nc2c1 1206763 VDWAKROBCHBGGT-UHFFFAOYSA-N 358.397 4.690 0 50 FJAA CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1 1490299 AVXQPEKZIGPIJW-UHFFFAOYSA-N 371.488 4.913 0 50 FJAA in-vitro Cc1ccc(-c2cc(C(=O)Nc3ncccn3)c3ccccc3n2)cc1C 2745671 SDDFLMZXTXTWFX-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA Cc1cccc(C)c1NC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2760144 AIKCAQHNPOZBOA-UHFFFAOYSA-N 369.358 4.973 0 50 FJAA CCOc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 2924036 UQDYRXNSJYIOAO-KRWDZBQOSA-N 350.245 4.539 0 50 FJAA C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 4676254 UZLGOHSCYBOAIB-OAHLLOKOSA-N 374.887 4.569 0 50 FJAA COc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn23)cc1 21798802 BSEHMBJAQBDBKK-UHFFFAOYSA-N 362.408 4.904 0 50 FJAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 33269822 XOQGSNMAUJPODK-MRXNPFEDSA-N 371.824 4.577 0 50 FJAA COCc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2cc(C)sc2C)o1 162703789 LNTINKGGVRLXCM-CXAGYDPISA-N 362.495 4.712 0 50 FJAA COCc1cc(Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)n2ncnc2n1 170591705 NTUVTEPHEUGPLM-UHFFFAOYSA-N 368.481 4.658 0 50 FJAA C[C@H](Nc1ccc2c(c1)CC(=O)N2C)c1ncc(-c2ccc(Cl)cc2)o1 193334512 MTUVQFITWPDHDQ-LBPRGKRZSA-N 367.836 4.687 0 50 FJAA C[C@@H](C(=O)Nc1nccc(-c2ccccc2)n1)c1ccc(F)c(Cl)c1 1875332297 VKEGHFUGHMOVGD-GFCCVEGCSA-N 355.800 4.678 0 50 FJAA O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(OCc2ccncc2)cc1 2325720745 KMYCKTRRWCYMRY-RUDMXATFSA-N 364.832 4.966 0 50 FJAA CC(C)CCN1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O 692870 NOTBGPPHISGIIX-UHFFFAOYSA-N 350.443 4.605 0 50 FJAA CCOc1ccc(/C=C/C(=O)Nc2c(CC)cccc2CC)cc1OC 951410 KGJBCAVQHKDSHJ-WYMLVPIESA-N 353.462 4.871 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1C 1124301 UMVSLNXCOYKJKG-UHFFFAOYSA-N 359.385 4.866 0 50 FJAA O=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1175359 BMZWCKKORAOHAV-UHFFFAOYSA-N 359.454 4.961 0 50 FJAA aggregator COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 1207686 JWBPRZWEKRGVEE-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA Sc1nnc(-c2ccc(Cl)c(Cl)c2)n1CCc1ccccc1 1303039 ZJHDAUZBGGKGLL-UHFFFAOYSA-N 350.274 4.783 0 50 FJAA CC(C)(C)c1ccc([C@H]2[C@H](C(=O)O)CCC(=O)N2Cc2ccccc2)cc1 12336767 CRPGJWHGKJNBKZ-CTNGQTDRSA-N 365.473 4.549 0 50 FJAA CCc1nc(C)c(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)[nH]1 20912717 YTCUOKPZIIBDBF-SFHVURJKSA-N 367.537 4.673 0 50 FJAA COc1cccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 28289608 WBZIEJCXWOQPLS-UHFFFAOYSA-N 370.811 4.730 0 50 FJAA O=C(c1ccc2scnc2c1)N1CCC(Cc2ccc(F)cc2)CC1 82157650 VSXKROVCBKQVBH-UHFFFAOYSA-N 354.450 4.530 0 50 FJAA O=C(CSc1ccc2ccccc2n1)NCC12CC3CC(CC(C3)C1)C2 334163342 PJCYXAXUWMRSGC-UHFFFAOYSA-N 366.530 4.660 0 50 FJAA CC(C)n1c([C@H]2CCCN2C(=O)CCCn2cccc2)nc2ccccc21 1444755442 QWHLCUPPLHDPCC-HXUWFJFHSA-N 364.493 4.563 0 50 FJAA C[C@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(C2CC2)n(C)n1 1875328998 WXOQIQAXKCSMRZ-HNNXBMFYSA-N 357.461 4.785 0 50 FJAA C[C@H](CNC(=O)c1cccc(-c2cc[nH]n2)c1)c1c(Cl)cccc1Cl 1875350001 WPUPBOBXCNRJBE-GFCCVEGCSA-N 374.271 4.917 0 50 FJAA Cc1nc2cc(Br)c(Br)cc2n1-c1ccccc1 752208 FTJCLOFCYMTDCJ-UHFFFAOYSA-N 366.056 4.859 0 50 FJAA CC(C)Oc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 951932 KVAYUCBZMICZAV-UHFFFAOYSA-N 358.239 4.923 0 50 FJAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(F)cc1 998774 KHPGLIYOUYRQSA-UHFFFAOYSA-N 357.816 4.593 0 50 FJAA Cc1scc(C(=O)Nc2ccc3c(c2)OCCO3)c1-c1ccccc1 1054016 AQZOAWMLJRVLDV-UHFFFAOYSA-N 351.427 4.747 0 50 FJAA COc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1OC 1108793 NTTIKFHLBQJVEV-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)sc2c1 1230395 ULHALFCWFWXYMT-UHFFFAOYSA-N 358.488 4.734 0 50 FJAA CNc1cc(CSC)nc(SCc2ccc(Cl)cc2Cl)n1 1387642 ADANYFWPHVSRKE-UHFFFAOYSA-N 360.335 4.980 0 50 FJAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)Cc1ccccc1Cl 2730460 MZPKUJJWKAGRKO-UHFFFAOYSA-N 365.882 4.883 0 50 FJAA COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1 4820409 XDYSAKLUNSNZRI-NZQKXSOJSA-N 357.409 4.670 0 50 FJAA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1Cl 4838763 FVRDEPOXKPBPFW-UHFFFAOYSA-N 356.853 4.609 0 50 FJAA CC(=O)Nc1cccc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)c1 4840971 VJBJXKQSXRMOSB-UHFFFAOYSA-N 374.440 4.785 0 50 FJAA COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 5049966 FSONJVASVAHMCL-UHFFFAOYSA-N 374.868 4.600 0 50 FJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)C4CCCC4)C3)C2)cc1 12314235 XKBHMXPJUZPEHK-XMMPIXPASA-N 368.565 4.815 0 50 FJAA CC(C)N1C[C@H](C)[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C 15188208 ISISUCXOWWQKPO-SFYKDHMMSA-N 351.490 4.878 0 50 FJAA Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)c1 21790937 GYJQLJMKAMBDGE-IBGZPJMESA-N 350.393 4.766 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ccccc1F 21791314 CXIZSAUGZKPNRY-GOSISDBHSA-N 354.356 4.597 0 50 FJAA CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 71769310 OKARETPOLGJSFX-PMACEKPBSA-N 363.423 4.825 0 50 FJAA CN(C[C@@H]1CCCO1)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72426412 YKSHTMVQBKYADU-INIZCTEOSA-N 368.864 4.739 0 50 FJAA CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(-c2ccccc2)cc1 100316173 ICTRNWORWUHRTE-OAQYLSRUSA-N 354.409 4.575 0 50 FJAA C[C@@H](Cc1nnc(SCc2csc(Cl)n2)o1)c1ccccc1 253425395 ATWGXEVKUGUXFE-JTQLQIEISA-N 351.884 4.818 0 50 FJAA O=C(c1ccc(F)c2ccccc12)N1CCC[C@H]1C[C@H](O)c1cccs1 797736841 HNCAAEDOANAKIF-LIRRHRJNSA-N 369.461 4.769 0 50 FJAA Cc1cc(-c2cc(OC(F)(F)F)ccc2O)c2nc(N)sc2c1C 1772709081 GTCRZCSYYJEZNE-UHFFFAOYSA-N 354.353 4.767 0 50 FJAA O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1c(F)cccc1Cl 2325871461 MCDZHWCFIZZXNO-LJQANCHMSA-N 368.839 4.934 0 50 FJAA Cc1ccc(C)n1-n1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 628487 LWLHLXBBMNZGSC-UHFFFAOYSA-N 369.877 4.817 0 50 FJAA Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C 1073144 PHKQCMKITXVRMR-UHFFFAOYSA-N 358.290 4.576 0 50 FJAA CCCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1OC 1770336 JSRMXDAVZQWEQK-PKNBQFBNSA-N 368.458 4.746 0 50 FJAA CCCCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 1801382 RYVTZCWTCQFXNG-UHFFFAOYSA-N 369.461 4.784 0 50 FJAA CCCOc1ccc([C@@](O)(CCN2CCCCC2)c2cccc(C)c2)cc1 2810474 OPRJXLALLTVEEO-DEOSSOPVSA-N 367.533 4.896 0 50 FJAA CCn1c2ccccc2c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 2836796 XZHHKEDKHWUZNU-UHFFFAOYSA-N 358.397 4.795 0 50 FJAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2849385 DUJIHUGNCKSACG-INIZCTEOSA-N 362.429 4.845 0 50 FJAA Cc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 4349125 XLEJTJNAUCHOIW-UHFFFAOYSA-N 354.409 4.736 0 50 FJAA COc1ccc(C(=O)Nc2cc(-c3cnc4ccccc4n3)ccc2C)cc1 4857325 PIBWUJFYGSMEQC-UHFFFAOYSA-N 369.424 4.866 0 50 FJAA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1OC(C)C)CC(=O)N2 4986647 XOTCGYLRXKJSNY-INIZCTEOSA-N 369.461 4.745 0 50 FJAA O=C1/C(=C/Nc2ccc(Cl)cc2)c2ccccc2C(=O)N1c1ccccc1 5650185 NXAMOGPRGCEMRJ-XSFVSMFZSA-N 374.827 4.980 0 50 FJAA C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H](C)O1 72168253 YOPBCWLXXXXOSU-OKILXGFUSA-N 368.864 4.738 0 50 FJAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72456630 OSMCVUFEIIWNKQ-INIZCTEOSA-N 364.489 4.705 0 50 FJAA CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 225444300 JISIZIKSKXOTMC-MRXNPFEDSA-N 370.518 4.899 0 50 FJAA CN(Cc1cc(-c2ccccc2)no1)Cc1cncn1C1CCCCC1 244724351 MSLMSWFXIHNUTC-UHFFFAOYSA-N 350.466 4.675 0 50 FJAA Oc1c(Cl)cccc1-c1nc(-c2ccccc2OC(F)(F)F)no1 761581826 JWLKQSRLYXLHBY-UHFFFAOYSA-N 356.687 4.661 0 50 FJAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccnc2ccccc12 822409930 TXVUGNPMASWXAZ-MRXNPFEDSA-N 373.456 4.502 0 50 FJAA O=C1CCc2cc(Cc3nc(-c4c(Cl)cccc4Cl)no3)ccc2N1 1875330231 TWTHUJPDWSHMPM-UHFFFAOYSA-N 374.227 4.519 0 50 FJAA O=C(Nc1cnn2cccnc12)C1(Cc2cccc(Cl)c2)CCCCC1 2325818486 FKGMYJUBDJSVAT-UHFFFAOYSA-N 368.868 4.514 0 50 FJAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H]1c1cc(F)ccc1F 2325818659 PPQOVMSWYVUDPZ-LJQANCHMSA-N 368.387 4.724 0 50 FJAA COc1ccc2ccnc([C@H](C)NC(=O)c3cc(Cl)ccc3C)c2c1 2325842872 LMXRAHOKFJPUPX-ZDUSSCGKSA-N 354.837 4.696 0 50 FJAA COc1ccc(C=O)cc1COc1ccc(Br)cc1Cl 650851 WZVQUQHUVYXWTG-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA CCN(C(=O)COc1ccc(Br)cc1Cl)c1ccccc1 676588 KEMXFUBTHJWBHB-UHFFFAOYSA-N 368.658 4.534 0 50 FJAA COc1ccc(C(=O)c2ccc(C(=O)c3ccc(OC)c(C)c3)cc2)cc1C 1054549 WLIXJWKSCUIEGK-UHFFFAOYSA-N 374.436 4.783 0 50 FJAA biogenic CC(C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCCC1 2247571 KCLSNRYSSRSMDK-UHFFFAOYSA-N 356.491 4.636 0 50 FJAA CCc1cc(OCCOCCOc2ccc(C)cc2OC)ccc1Cl 4701932 COHBBHFLHDCLMM-UHFFFAOYSA-N 364.869 4.694 0 50 FJAA Cc1cccc(-c2nnc(-c3cccc(NC(=O)Cc4ccccc4)c3)o2)c1 4842219 YPHULPNADLZQBU-UHFFFAOYSA-N 369.424 4.893 0 50 FJAA COc1cccc(-c2cccc(NC(=O)C3CCN(CC(C)C)CC3)c2)c1 11873110 IHTVUBMYUFZERY-UHFFFAOYSA-N 366.505 4.669 0 50 FJAA Cc1nn2c(N3CCCC3)cc(-c3ccccc3)nc2c1-c1ccccc1 23114881 ZDWWLNBGOIKDGI-UHFFFAOYSA-N 354.457 4.972 0 50 FJAA Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCc3n[nH]cc3C2)c1 72418250 WCBYRHAIHSRIFR-UHFFFAOYSA-N 368.484 4.800 0 50 FJAA CN(C)Cc1ccc(C(=O)N(Cc2ccsc2)C2CCCCC2)cc1 97528891 AGIMVHXSYGZVQM-UHFFFAOYSA-N 356.535 4.785 0 50 FJAA Cc1nc([C@H](C)NC(=O)c2c(-n3cccc3)sc(C)c2C)c(C)s1 299796047 PLQDFNCRQOXXDW-NSHDSACASA-N 359.520 4.720 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(CCCO)Cc3cccs3)cc2)cc1 952962427 BPPAQXLFFBVUDQ-UHFFFAOYSA-N 365.498 4.748 0 50 FJAA Cc1cccc(N2CCC(NCc3ccc([C@H]4CCCCO4)o3)CC2)c1 952975365 JFDYQXPHFMWPQK-OAQYLSRUSA-N 354.494 4.588 0 50 FJAA CCCc1cc(C(=O)OCC)c(NC(=O)c2csc(C)c2C)s1 648422 FZBQINNZQSKOKN-UHFFFAOYSA-N 351.493 4.808 0 50 FJAA COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 1132537 NOSHGYWDSKBUER-UHFFFAOYSA-N 355.777 4.639 0 50 FJAA O=C(CSCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1C(=O)O 1175033 BRFRXMCDMYJRNK-UHFFFAOYSA-N 370.257 4.564 0 50 FJAA CCCOc1ccccc1Nc1ncnc2ccc(Br)cc12 1778615 BUMMAWKASZSGBJ-UHFFFAOYSA-N 358.239 4.925 0 50 FJAA C[C@H]1CCc2c(C(=O)Nc3cccc(Br)c3)csc2C1 2860510 PEQLLOCOYQFENY-JTQLQIEISA-N 350.281 4.888 0 50 FJAA Cc1cccc(C(=O)OCc2ccc(-c3cnc4ccccc4n3)cc2)c1O 2884843 YRMZUEDGBWEVEG-UHFFFAOYSA-N 370.408 4.668 0 50 FJAA CC(C)(C)NC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12594466 YNCMMWXKTARUOW-FQEVSTJZSA-N 364.489 4.756 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3ccc(Cl)c(F)c3)c2C)cc1 12710383 VJYFVQUSOZCRPV-CYBMUJFWSA-N 373.859 4.833 0 50 FJAA Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1 12731584 KZPAYBKKGXXRRN-JWGURIENSA-N 371.436 4.509 0 50 FJAA aggregator CSc1ccccc1C(=O)[C@H]1CCCN(Cc2csc(C(C)=O)c2)C1 20599062 YNBAVKQFJMIDCC-INIZCTEOSA-N 373.543 4.768 0 50 FJAA CCOc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)n1 22022946 ZHPHAOJCXIPBJC-UHFFFAOYSA-N 350.418 4.535 0 50 FJAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCCC[C@@H]1CO 22077698 VXAVILQUDIBJRH-LJQANCHMSA-N 365.473 4.764 0 50 FJAA C=CCOc1ccc(Br)c(Br)c1Br 33506066 FJNNYLPBIOZVIQ-UHFFFAOYSA-N 370.866 4.539 0 50 FJAA CC(=O)c1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 55292287 CUARWZIYWXOVRK-UHFFFAOYSA-N 363.288 4.518 0 50 FJAA CC(C)n1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cn1 63833948 URLJVQXHGRNCPP-MRXNPFEDSA-N 362.477 4.694 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3cccc(-n4cccn4)c3)c(C)c2c1 92019834 YREPLQDDCUPTQF-UHFFFAOYSA-N 372.472 4.551 0 50 FJAA Cc1ccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 101087836 RJJAJDIKKNDMMX-QGZVFWFLSA-N 357.244 4.949 0 50 FJAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC2(CCCC2)C1 742876659 ICFICHDLFMOBDY-UHFFFAOYSA-N 363.505 4.683 0 50 FJAA Cc1cc([C@H](NC(=O)c2ocnc2-c2ccccc2)C2CC2)ccc1F 1356580559 FNKQSXGGPRXTOJ-GOSISDBHSA-N 350.393 4.670 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3c(C)sc4ccccc34)C1)CC2 1704325969 SHUHCPWIEVLTTE-JOCHJYFZSA-N 363.530 4.788 0 50 FJAA O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1-c1ccccc1 626977 YPXYUNKUPUBRAK-UHFFFAOYSA-N 362.429 4.817 0 50 FJAA O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1Br 753227 CFSKSKMHJAHCHU-UHFFFAOYSA-N 366.258 4.969 0 50 FJAA Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 753345 FZAIJPGEEOQDHR-UHFFFAOYSA-N 350.654 4.756 0 50 FJAA Fc1ccccc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1 1058127 CGMKCPUGHXHJJY-MRXNPFEDSA-N 369.465 4.735 0 50 FJAA CCOc1ccc2[nH]c(SCc3c(F)c(F)c(F)c(F)c3F)nc2c1 2464672 RJIZHIISDWEBJV-UHFFFAOYSA-N 374.334 4.949 0 50 FJAA O=C(CSc1nccc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F 2788753 FPRFXKWDGLSAMM-UHFFFAOYSA-N 360.360 4.536 0 50 FJAA Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5137898 JKZZKHNOWJOXOA-UHFFFAOYSA-N 354.885 4.903 0 50 FJAA CCN(CC)c1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(=N)oc2c1 6517595 IADMJJOCKOUYBV-UHFFFAOYSA-N 363.461 4.628 0 50 FJAA c1ccc(Oc2ncccc2CNCc2ccc([C@H]3CCCCO3)o2)cc1 12320071 XNODXFPJJHZFFG-HXUWFJFHSA-N 364.445 4.998 0 50 FJAA CC(=O)OCCSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18276659 NPEDZECYCSLQFI-UHFFFAOYSA-N 373.861 4.504 0 50 FJAA COc1ccc(CN2CCCC2)cc1Oc1ccc(-c2ccccc2)nn1 67649749 MUDKAUJVYWTNPM-UHFFFAOYSA-N 361.445 4.540 0 50 FJAA Cc1ccc2nc(-c3cn[nH]c3)c(C)c(C(=O)N3CCC4(CCCC4)C3)c2c1 67840431 GKDNSFDWQVGYPT-UHFFFAOYSA-N 374.488 4.648 0 50 FJAA CSc1ccc2cc(CN(C)CCO)c(-c3ccc(Cl)cc3)nc2c1 72418047 FGKXSXKDRQJGFR-UHFFFAOYSA-N 372.921 4.701 0 50 FJAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3c(F)ccc(C)c3F)C2)cc1 77520662 LLKUNDKHOVFUMC-INIZCTEOSA-N 359.416 4.513 0 50 FJAA CC(C)c1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)n(C)n1 82138830 SUCUWQGQCDDDRA-UHFFFAOYSA-N 363.461 4.608 0 50 FJAA CC(C)c1csc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cn3)C2)n1 175881445 JJPCOTHZIJMTOB-LBPRGKRZSA-N 364.902 4.726 0 50 FJAA CCCCCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC 239347279 MPYSXPHSCSBUPX-VPBXCIAMSA-N 365.561 6.190 0 50 FJAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 239377991 OJXVAOKMXYGESR-RPLLJCPNSA-N 374.267 4.785 0 50 FJAA CC(C)CCC[C@H](C)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 253417793 LEYGRWGTYAHSJG-LBPRGKRZSA-N 351.397 4.619 0 50 FJAA COCCC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c2ncccc12 299794528 KQTIIYMJBZKUOH-CQSZACIVSA-N 361.873 4.701 0 50 FJAA COc1cccc(-c2ccc(NC(=O)N(C)CCC[C@H]3CCCO3)cc2)c1 299799991 XKRIYUSKNDGRNB-FQEVSTJZSA-N 368.477 4.785 0 50 FJAA CCCc1sc(NC(=O)C[C@H]2CC2(F)F)nc1-c1ccc(OC)cc1 1940196659 YFKIMXOQCKUUSQ-LBPRGKRZSA-N 366.433 4.755 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(Br)c1 636768 HGJUZWJQQBRSTH-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA O=C(Nc1cccc2nsnc12)c1sc2cccc(F)c2c1Cl 808225 LYDHGJLHIXUEBP-UHFFFAOYSA-N 363.826 4.951 0 50 FJAA Cc1ccc(NC(=O)c2ccc(OCC(=O)OC3CCCCC3)cc2)cc1 956083 FLZCPBIAZMUWRH-UHFFFAOYSA-N 367.445 4.502 0 50 FJAA O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1Cl 1230969 MGYAPNDXMPVKFQ-UHFFFAOYSA-N 353.230 4.865 0 50 FJAA COc1cccc(NC(=O)c2cccnc2Nc2ccc(Cl)cc2)c1 2866256 MOJUIKHKKSHLGQ-UHFFFAOYSA-N 353.809 4.740 0 50 FJAA O=C(NC1CCCCC1)c1cccc(NC(=O)c2ccccc2Cl)c1 2882259 RHJICBSNZVZFRT-UHFFFAOYSA-N 356.853 4.655 0 50 FJAA Cc1oc2c(C)c3oc(=O)c(CC(=O)O)c(C)c3cc2c1-c1ccccc1 4043663 LLOIYQYEJQJNOT-UHFFFAOYSA-N 362.381 4.759 0 50 FJAA biogenic O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(Cc2cccnc2)C1 11938568 YLKFREHQPOZIGW-NRFANRHFSA-N 374.459 4.983 0 50 FJAA O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2ccsc2)CC1 12195113 AUHJZPZGPOWIIU-UHFFFAOYSA-N 366.486 4.859 0 50 FJAA COc1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 13331473 XRNQZMHWWBTXBK-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA Cc1nc(NCc2cccs2)sc1-c1ccn(C[C@H]2CCCCO2)n1 14882725 CDXVWHUDBXAVRE-CQSZACIVSA-N 374.535 4.558 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)c(C)c3)s2)cc1 17123867 SMXFPZSNCUKKTK-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3ccno3)c(-c3ccccc3)n2)c1 20203817 FLTHGCGTQZDDHO-UHFFFAOYSA-N 372.472 4.776 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ccc(F)cc1 21791526 VVRCPHDHSYEJKN-GOSISDBHSA-N 354.356 4.597 0 50 FJAA Cc1cc2oc(=O)cc(CN(Cc3ccccn3)Cc3ccco3)c2cc1C 65371430 XDDNSANKCGZHLX-UHFFFAOYSA-N 374.440 4.600 0 50 FJAA CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 171165617 XQBKVGPLWJYEHI-ZDUSSCGKSA-N 368.359 4.552 0 50 FJAA CC[C@@H](C)NC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)ccc1Cl 230511756 VHWWZAXARPKOKN-KGLIPLIRSA-N 358.869 4.611 0 50 FJAA C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 241470666 NWXZGXXOJBAZKP-NRWUCQMLSA-N 360.445 4.522 0 50 FJAA O=C(c1ccccc1Cl)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 263639624 ARSWEPKLQNRJPJ-DTORHVGOSA-N 359.697 4.543 0 50 FJAA COc1cccc(C(=O)Nc2ccccc2[C@@H](O)c2ccc(Cl)cc2)c1 1857526181 VIPCEFIQMJNMGY-FQEVSTJZSA-N 367.832 4.683 0 50 FJAA Cn1nc(C(F)(F)F)cc1CNc1cc(C(F)(F)F)nc2ccccc12 2325874299 HMHRULVAUYDMJO-UHFFFAOYSA-N 374.288 4.618 0 50 FJAA Cc1cc(Br)ccc1NC(=O)c1ccccc1Br 634148 HAJRBKIAXVEOCK-UHFFFAOYSA-N 369.056 4.772 0 50 FJAA CC(C)N(C(=O)c1ccccc1F)c1ccc(-n2nc3ccccc3n2)cc1 1432630 NUKGHUJJDIHZLF-UHFFFAOYSA-N 374.419 4.615 0 50 FJAA CSc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 2876164 YTVXWTLUWWVPIQ-UHFFFAOYSA-N 351.924 4.725 0 50 FJAA Brc1cccc(-c2noc(CCCOc3ccccc3)n2)c1 2886693 RGZVYGXMRWUFPW-UHFFFAOYSA-N 359.223 4.511 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1csc2c1CCCC2 4749321 JIFLOKVCZZDDBX-UHFFFAOYSA-N 368.502 4.505 0 50 FJAA COc1ccc(/C=C\C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 5068535 BDLHSVLZTGWKCO-WTKPLQERSA-N 371.396 4.550 0 50 FJAA Cc1ccc([C@H]2C[C@@H]2c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 5426632 KWTOVCPNYJHNIC-KGLIPLIRSA-N 359.857 4.928 0 50 FJAA Cc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCC2=CCCCC2)cc1 12056869 UHPABZNOCUGEHZ-QFIPXVFZSA-N 366.549 4.604 0 50 FJAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1C1CCCCC1 15074371 QSWGTELULQXTEK-HXUWFJFHSA-N 365.477 4.610 0 50 FJAA Clc1ccc([C@H]2CN(c3cnc4ccccc4n3)CCO2)cc1Cl 72425469 QHPHKUCEWIFYDM-QGZVFWFLSA-N 360.244 4.515 0 50 FJAA O=C(c1ccccc1-c1ccccc1)N1CC[C@@H](Cc2cccc(CO)c2)C1 95386543 FEXOQEWFPCXUFK-FQEVSTJZSA-N 371.480 4.551 0 50 FJAA CSC[C@H]1CCCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 95510139 CEMFMFVGVGBOER-NSHDSACASA-N 364.458 4.905 0 50 FJAA O=C([C@H](c1ccccc1)N1CCC[C@H]1c1ccsc1)N1CCCCC1 240551660 GVGKJNZXCGGJJL-PMACEKPBSA-N 354.519 4.639 0 50 FJAA CC[C@H](CN(C)C)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1 426597335 APLIMJAQDSFSBK-OAHLLOKOSA-N 365.304 4.730 0 50 FJAA C[C@H](O)c1cccc(-c2ccc(C(=O)N(Cc3ccncc3)C3CC3)cc2)c1 426649804 XAEJMGSPQOSFPZ-KRWDZBQOSA-N 372.468 4.607 0 50 FJAA CC[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1OC)c1nc(C)cs1 2325709122 ATVJZCXXNTYXPB-INIZCTEOSA-N 372.412 4.534 0 50 FJAA CC(=O)N[C@H](C)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325720891 LPHPZOXATPINPD-GFCCVEGCSA-N 355.438 4.890 0 50 FJAA OC1=NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2532840 OXXLSKYAVUMAON-LFIBNONCSA-N 363.467 4.868 0 50 FJAA O=S(=O)(Oc1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 2835617 CPUKFTRNRMCQQM-UHFFFAOYSA-N 361.422 4.670 0 50 FJAA CCCCCOC(=O)CSc1sc2ccccc2[n+]1CCCC 5502886 ATOAIPQWGFAGPZ-UHFFFAOYSA-N 352.545 4.814 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(Cl)cc2)s1 6604124 UANNAYUXQNDWBN-UHFFFAOYSA-N 354.884 4.559 0 50 FJAA O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(Oc2ccccc2)c1 6731776 UVWAMZBFWAQRET-UHFFFAOYSA-N 374.425 4.645 0 50 FJAA Oc1nc(/C=C/c2ccc(-c3ccc(F)cc3)o2)cc(C(F)(F)F)n1 8772998 XLHYWBIWJJSOBM-AATRIKPKSA-N 350.271 4.771 0 50 FJAA O=C(c1cn(C2CCCCCC2)nn1)N1CCC[C@@H](c2ccccc2)CC1 12459795 QJQQNZOJWOWPBH-LJQANCHMSA-N 366.509 4.583 0 50 FJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C4CCSCC4)C3)ccc2c1 12594561 JYALINLDCWIURE-LJQANCHMSA-N 369.530 4.639 0 50 FJAA COc1ccc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320421 FYWQXGZKPKPIJT-UHFFFAOYSA-N 372.774 4.732 0 50 FJAA Cc1ccccc1-c1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1 16579627 FYQUCQUZEHOMBT-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)on1 21719694 RBCWPGHUIHNLHJ-LJQANCHMSA-N 374.506 4.557 0 50 FJAA CC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O 34961966 LINXWSBRRJSWHL-QBEJVNRSSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1ccccc1-c1nc(CNc2cccc(COC(C)C)c2C)no1 133997745 FPBLWOZFBJZQBL-UHFFFAOYSA-N 351.450 4.891 0 50 FJAA CN(C)c1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 170638383 ZOFYGEQVZXGHHR-UHFFFAOYSA-N 350.447 4.576 0 50 FJAA Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O 226392984 STZBREGCNXRMRU-GPEJODLCSA-N 365.860 4.578 0 50 FJAA Cc1cnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccccc1 331845281 QCUSNGUJAXHMJA-HUUCEWRRSA-N 363.383 4.759 0 50 FJAA CCCN(C(=O)c1ccc(-c2ccc(OC)c(C(C)=O)c2)cc1)C1CC1 534633650 CVPWMWCERDJKLW-UHFFFAOYSA-N 351.446 4.579 0 50 FJAA COc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 632001 RETLSFFPMMWMOJ-UHFFFAOYSA-N 359.425 4.964 0 50 FJAA COc1ccc(Oc2c3ccccc3nc3c2c(C)nn3C)c(Cl)c1 643569 GEOLZSLOQJLMJO-UHFFFAOYSA-N 353.809 4.884 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2Cl)cc1I 675372 KUSFNNNNHRUSTE-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA COc1ccc2nc(NC(=O)COc3ccccc3C(C)(C)C)sc2c1 951189 VCOABJVXEVIPKV-UHFFFAOYSA-N 370.474 4.620 0 50 FJAA CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCCC2 1249417 SEPZAVXUUPPGJW-MDZDMXLPSA-N 361.488 4.517 0 50 FJAA O=S(=O)(NCCC1=CCCCC1)c1cc(Cl)c(Cl)cc1Cl 2821649 LXGCLEFCPZKPHG-UHFFFAOYSA-N 368.713 4.816 0 50 FJAA COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c1 4302499 PHOADJGYJIOTMI-INIZCTEOSA-N 368.483 4.810 0 50 FJAA C/C(=C\COc1cc(=O)[nH]c2ccccc12)CC[C@@H]1OC(C)(C)OC1(C)C 4597006 KSRUHPZOGHKBJG-QZEGLACASA-N 371.477 4.564 0 50 FJAA biogenic O=C(O)c1cc(-c2ccccc2)[n+](-c2ccccc2)c(-c2ccccc2)c1 5490793 YABUXFUPQVRKDR-UHFFFAOYSA-O 352.413 4.996 0 50 FJAA C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O 6491064 PCCSBWNGDMYFCW-QFIPXVFZSA-N 374.396 4.700 0 50 FJAA biogenic,in-vivo Cc1ccc(CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 9319035 JUFPJFBMCRJIGZ-UHFFFAOYSA-N 369.515 4.710 0 50 FJAA Cc1ccc(N[C@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)cc1C 12318710 OMHBMDVMOJKCEU-NRFANRHFSA-N 359.473 4.568 0 50 FJAA CCn1nc(C)c(CN2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)c1C 12429840 FRQWYIAZDFODCW-OAQYLSRUSA-N 354.542 4.720 0 50 FJAA Cc1ccc2oc(-c3cc(NC(=O)Cc4ccccc4)ccc3O)nc2c1 22135452 KMBSKQVPIHMKDH-UHFFFAOYSA-N 358.397 4.690 0 50 FJAA CC(C)CC(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 23367510 MTVSYQCMRPEXSC-GOSISDBHSA-N 361.489 4.982 0 50 FJAA CCc1ccc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cnn(C)c2)nc1 65428946 IWRCHLYMARSYAK-INIZCTEOSA-N 357.461 4.517 0 50 FJAA Cc1ccc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)s1 72151664 AKDCNHYXPNEHOK-UHFFFAOYSA-N 355.425 4.559 0 50 FJAA Cc1cc(Br)ccc1NC(=O)Nc1cccc(C(C)(C)O)c1 225680537 DRADEEMUNCHXNP-UHFFFAOYSA-N 363.255 4.629 0 50 FJAA CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2CCCC)cc1 238950643 ZFRQJCSUEYJJQM-SMOSDQRPSA-N 356.510 5.216 0 50 FJAA Cc1nn(C)cc1-c1cccc(C(=O)N(C)[C@H]2CCCc3ccccc32)c1 299779271 UUVFNQNKJVAONK-QFIPXVFZSA-N 359.473 4.545 0 50 FJAA CCOCc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 303113663 GQZJQLVEVIHOOR-UHFFFAOYSA-N 371.440 4.814 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2F)cc1C 952874205 YQNDMICXGIZEPA-UHFFFAOYSA-N 358.413 4.524 0 50 FJAA CCn1nc(CC(C)C)cc1C(=O)N(Cc1ccsc1)C1CCCC1 952967388 LHUIVCNJLKEQRX-UHFFFAOYSA-N 359.539 4.748 0 50 FJAA O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cc(-c2ccccc2)no1 1466546425 ZKAYZTDABZNNCC-UHFFFAOYSA-N 370.408 4.890 0 50 FJAA Cc1c(-c2ccccc2)noc1NC(=O)c1ccc([C@H]2CCCO2)s1 1506403454 RTJPGJGFJTZYNE-CQSZACIVSA-N 354.431 4.815 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529180971 OMFHNWJTCVLNRA-ZWKOTPCHSA-N 370.518 4.567 0 50 FJAA Cn1cc(CNC[C@H]2CCC[C@@H]2c2ccccc2)c(-c2cccc(F)c2)n1 1875306937 QJVLYHNQCOGMHZ-DENIHFKCSA-N 363.480 4.900 0 50 FJAA O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)N1CCCC12CC2 1875336203 VXPOESHADWYXBX-IBGZPJMESA-N 359.473 4.638 0 50 FJAA CCc1ccc(OCC(=O)Oc2ccc(Br)cc2Cl)cc1 670351 MIQMRULHDVFHLG-UHFFFAOYSA-N 369.642 4.649 0 50 FJAA CCc1ccc(CNc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 679214 IPGGODLBTYQBDS-UHFFFAOYSA-N 364.411 4.717 0 50 FJAA Brc1nc2ccccc2c(Br)c1Br 690068 NJRBYVRCSPRWFL-UHFFFAOYSA-N 365.850 4.522 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1C(C)C 946927 IXYJFLCJQLDSGD-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 998016 HBBSQDJRRSSKRB-UHFFFAOYSA-N 350.230 4.764 0 50 FJAA CCN(CC)C(=O)Oc1cccc2c(OC(=O)N(CC)CC)cccc12 1135742 AIORXGVYVNQGLB-UHFFFAOYSA-N 358.438 4.521 0 50 FJAA Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 1173614 CWIMUMDBXYBYNF-AWEZNQCLSA-N 370.518 4.559 0 50 FJAA COc1ccccc1OCCOc1ccc(Br)cc1Cl 2984245 PIWWGJDJBVZYFT-UHFFFAOYSA-N 357.631 4.569 0 50 FJAA Cc1nn2c(NCc3ccccn3)c3c(nc2c1-c1ccccc1)CCCC3 12421713 FYQLWIAJXDTAJA-UHFFFAOYSA-N 369.472 4.591 0 50 FJAA C/C=C(\C)CN1CCOc2c(cc(-c3ccc(Cl)cn3)cc2OC)C1 14883014 PJYVEXYZLQPIMV-LNKIKWGQSA-N 358.869 4.571 0 50 FJAA COc1ccccc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 15009133 JIKASSCYDPYCNS-UHFFFAOYSA-N 367.470 4.524 0 50 FJAA O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1 15636535 SHGFPKFNCSFJFF-GXDHUFHOSA-N 360.232 4.690 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)cc1C 17971043 BABFDAUCZZZFHZ-HDICACEKSA-N 374.484 4.768 0 50 FJAA COc1ccccc1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 63835253 ACSOVBOFBKHYNI-UHFFFAOYSA-N 369.468 4.841 0 50 FJAA Cc1ccc(-c2csc3ncnc(SCc4cccc(N)n4)c23)cc1 170613002 UDIDFQLYTDQYCR-UHFFFAOYSA-N 364.499 4.936 0 50 FJAA Cc1ccccc1CNc1cc2c(cc1NC(=O)OC(C)(C)C)OCO2 252486125 HHOBJULACZSLLJ-UHFFFAOYSA-N 356.422 4.683 0 50 FJAA CCN(Cc1ccc(C)o1)C(=O)c1ccc(-c2sc(C)nc2C)cc1 426484923 WAJKHAQZGCKMMA-UHFFFAOYSA-N 354.475 4.991 0 50 FJAA CC[C@@H](NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccc(C)n1 670462951 SVQMRDFFPTWTHW-LJQANCHMSA-N 362.477 4.697 0 50 FJAA O=C(c1cccs1)[C@H]1CCCN(Cc2cc(CN3CCCC3)cs2)C1 828187306 INSAOIWBDLHVME-KRWDZBQOSA-N 374.575 4.500 0 50 FJAA Cc1cc(Br)c(O)c(NC(=O)[C@H]2C[C@@H](c3ccccc3)C2)c1 2325840920 XLDPTTHEPWTPTI-OKILXGFUSA-N 360.251 4.595 0 50 FJAA O=C(CSc1ccc(Br)cc1)Nc1cccc(Cl)c1 632784 FVOUVYIPAKLYKY-UHFFFAOYSA-N 356.672 4.833 0 50 FJAA CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4)c(N)c3cc2C1 661832 CPDBAZAEUXRVAJ-CYBMUJFWSA-N 365.502 4.954 0 50 FJAA CCOc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 1141644 QXDTXKYMDNMMIG-UHFFFAOYSA-N 366.280 4.579 0 50 FJAA O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccccc1 1198791 BLDCSXVURSRSQP-JOCHJYFZSA-N 369.399 4.966 0 50 FJAA COc1ccc2nc(NC(=O)CCCOc3cccc(C)c3C)sc2c1 1786414 LFWFXSUOMAHRSP-UHFFFAOYSA-N 370.474 4.719 0 50 FJAA CCCCCCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1O 2398241 FBZRACLALPXXBG-UHFFFAOYSA-N 366.461 4.533 0 50 FJAA biogenic Cc1ccccc1-n1cc(CO)c(-c2cc(F)c(Cl)cc2Cl)n1 2544753 MFYDULIIQBWCNI-UHFFFAOYSA-N 351.208 4.786 0 50 FJAA CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1 2725717 MAJKEIXNFBWULK-UHFFFAOYSA-N 360.457 4.817 0 50 FJAA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)c1 4593174 UYCYKBRZXGOMPH-UXHICEINSA-N 365.429 4.701 0 50 FJAA Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 8654815 PWCTYOKWNXKDOQ-FQEVSTJZSA-N 356.897 4.605 0 50 FJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)C4CCCC4)C3)C2)cc1 12314236 XKBHMXPJUZPEHK-DEOSSOPVSA-N 368.565 4.815 0 50 FJAA COc1ccc(-c2cc(C(F)(F)Cl)c3c(C4CC4)nn(C)c3n2)cc1 13961011 PZOHFTAWNBEKRD-UHFFFAOYSA-N 363.795 4.809 0 50 FJAA CSC[C@H](C)N1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 14950378 ZBNZJOSZOJNKES-ZDUSSCGKSA-N 372.937 4.661 0 50 FJAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@H]32)cc(OC)c1OC 15017903 AQBBFSKOSSOTID-JHVJFLLYSA-N 369.461 4.655 0 50 FJAA Cc1ccc(CSc2nnc(COc3ccc(Cl)c(C)c3)n2C)cc1 17076538 KMXZZALSSJJVQA-UHFFFAOYSA-N 373.909 4.957 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccccc2)CCO3)s1 67713339 NMRUQJXMSNTRBW-UHFFFAOYSA-N 351.471 4.824 0 50 FJAA O=C(c1ccc(-c2ccncc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71759354 BLPKKSODOUJFJB-LJQANCHMSA-N 357.457 4.554 0 50 FJAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1cccnc1 95526193 JBRZHMKPQWINRU-NRFANRHFSA-N 364.876 4.616 0 50 FJAA O=S(=O)(NC1CCCCCC1)c1ccc(Cl)c(Cl)c1Cl 170615073 GOVNDQVNBJLASM-UHFFFAOYSA-N 356.702 4.648 0 50 FJAA Cc1cc(F)ccc1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 426436752 SHMFTIGIKBIIGD-HXUWFJFHSA-N 355.453 4.832 0 50 FJAA COc1ccc2[nH]c(Cn3ccnc3-c3ccc4cccnc4c3)cc2c1 1857688641 UUPVSZMNPSWSPY-UHFFFAOYSA-N 354.413 4.637 0 50 FJAA Oc1nc(N[C@H](c2ccccc2)[C@H]2C[C@H]2c2ccccc2)ncc1Cl 1875337336 RKMPLYBRFHLQDR-XYJFISCASA-N 351.837 4.793 0 50 FJAA C[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1 636422 BCPJIXHWICFXNK-INIZCTEOSA-N 373.431 4.715 0 50 FJAA Clc1ccc([C@H]2N[C@@H]3c4c(ccc5ccccc45)OC[C@@H]3CO2)cc1 3133126 MTGORZUCYKQYBG-NQERJWCQSA-N 351.833 4.862 0 50 FJAA CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCC 4856250 HKUIXINRNIBFHT-UHFFFAOYSA-N 356.491 4.581 0 50 FJAA Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)[nH]c2c1 5595848 DJYTVFRLEHUOTL-UHFFFAOYSA-N 357.413 4.556 0 50 FJAA Nc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc2ncccc12 10010427 CTCKNPXDQXWXPH-UHFFFAOYSA-N 371.771 4.803 0 50 FJAA CCCN(CC1CC1)C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 12299880 LTOPZCRMUMQTIT-UHFFFAOYSA-N 373.909 4.978 0 50 FJAA CCN(C(=O)c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 12404382 LXNGERUGCUURRA-UHFFFAOYSA-N 362.404 4.745 0 50 FJAA COc1ccccc1N1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 19720432 UIFIMEHAGSUNGD-UHFFFAOYSA-N 367.880 4.532 0 50 FJAA Cc1cc(C)c2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)C)c3)nc2c1 63855902 JWIYPCIIXBSEJE-UHFFFAOYSA-N 364.493 4.776 0 50 FJAA CC[C@H](C)c1c(-c2ccccc2)ncn1CCc1nc(-c2cccnc2)no1 65395618 AHQAYBPFTGJWPF-INIZCTEOSA-N 373.460 4.751 0 50 FJAA CCCCN(Cc1ccc(C)s1)C(=O)Nc1ccnn1Cc1ccco1 95510449 RLTIMGZAVIPBOD-UHFFFAOYSA-N 372.494 4.729 0 50 FJAA CC(C)(C)OC(=O)NC1(c2nnc(-c3ccc(Cl)cc3)o2)CCCC1 170594370 XHYQWKDUSNVSKK-UHFFFAOYSA-N 363.845 4.684 0 50 FJAA O=C(Nc1cccc2ccccc12)N(CCO)[C@H]1CCCc2ccccc21 170627111 YDPMJZOPGYMMHZ-QFIPXVFZSA-N 360.457 4.744 0 50 FJAA CC(C)(C)OC(=O)N(CCCOc1ccc(Br)cc1)C1CC1 230542880 WJEROZQSOSDLQJ-UHFFFAOYSA-N 370.287 4.618 0 50 FJAA C[C@H](NC(=O)CN1CCC[C@H]1c1cccs1)c1cc2ccccc2o1 239378295 ONSORQBBMPGHMI-HOCLYGCPSA-N 354.475 4.509 0 50 FJAA Cc1nc(-c2ccc(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cs1 248023803 JUQDWKVVJGBERT-ZAUBIYILSA-N 354.519 4.602 0 50 FJAA CCc1nc(-c2cccc(C(=O)N(CC)CC3CCOCC3)c2)ccc1C 584888385 WKNTWYLLRDTEJY-UHFFFAOYSA-N 366.505 4.508 0 50 FJAA O=C(c1ccc(-c2ccc(O)c(OC(F)(F)F)c2)cc1)N1CCCCC1 1772711094 YQZVSSJGCUDQJE-UHFFFAOYSA-N 365.351 4.584 0 50 FJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 1875318674 LJAFCTQPNFVENQ-UHFFFAOYSA-N 367.898 4.890 0 50 FJAA O=C(C1CCC(C2CC2)CC1)N1CCC[C@H](c2nc3c(s2)CCC3)C1 1875334480 PGWBIQIKNZFLJP-JCYILVPMSA-N 358.551 4.554 0 50 FJAA Cc1cc2nnn(-c3ncnc4sc(-c5ccccc5)cc34)c2cc1C 632046 KYFPHTWQMJGNKQ-UHFFFAOYSA-N 357.442 4.709 0 50 FJAA CCOc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 1070431 SPOMUKHCRIRHDT-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA CCN(C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12)c1ccccc1 1774881 HXUJGJAQYVAOQA-UHFFFAOYSA-N 368.436 4.842 0 50 FJAA CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O 2856391 HOKNZZVRHMJJBY-BOPFTXTBSA-N 373.861 4.975 0 50 FJAA CCOc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(OCC)c1OCC 4672606 FSGBDOJJOBZDRR-INIZCTEOSA-N 365.514 4.827 0 50 FJAA COc1cc(CNCC(C)C)cc(Br)c1OC1CCCC1 5078324 MDSZVKQTJAQFFG-UHFFFAOYSA-N 356.304 4.525 0 50 FJAA CC(C)[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 13616390 WBRDMBKUNJDWNH-IEBWSBKVSA-N 371.278 4.975 0 50 FJAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12 20605434 ZLBZDZHMFWKSPX-UHFFFAOYSA-N 363.804 4.503 0 50 FJAA Cc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1F 20616245 YXDWQNSBFKTZJF-UHFFFAOYSA-N 354.381 4.570 0 50 FJAA O=C(c1ccc(-c2ccoc2)nc1)N1CCC(CCc2ccccc2)CC1 71765432 SNMBCHUSTZJDJL-UHFFFAOYSA-N 360.457 4.827 0 50 FJAA Cc1cc(F)ccc1-c1ccc(CNc2cc(CSCCO)ccn2)o1 130095970 KISAOUGASNJQOX-UHFFFAOYSA-N 372.465 4.627 0 50 FJAA C[Si](C)(C)[C@H]1[C@H]2C=C3[C@H]4CC[C@@H](C4)[C@@]3(C2)[C@H]1S(=O)(=O)c1ccccc1 257356507 IPPGWCQMHJIQOR-DBZPXLFTSA-N 372.606 4.914 0 50 FJAA COc1ccc(-c2ccccc2NC(=O)N(C)CCC[C@@H]2CCCO2)cc1 299766369 CWAALTZJQCPGSE-LJQANCHMSA-N 368.477 4.785 0 50 FJAA CCCC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1cccnc1 299801708 XHBVJGPECGZXIX-KRWDZBQOSA-N 350.384 4.691 0 50 FJAA CSCC[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)n1cccc1 409414281 OVBLXXKYPXMZKB-GOSISDBHSA-N 371.531 4.853 0 50 FJAA CSc1cccc(CNC(=O)N(Cc2ccccn2)C2CCCCC2)c1 426370490 OCLULXBYZTZMED-UHFFFAOYSA-N 369.534 4.848 0 50 FJAA Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3[nH]ccc3c2)cc1 497858797 PRQFGJLIKUTLCH-UHFFFAOYSA-N 354.409 4.960 0 50 FJAA CCCN1CCN(C(=O)c2ccc(-c3cc(C)c(F)cc3Cl)cc2)CC1 534667898 HKFVXWNWMPATSA-UHFFFAOYSA-N 374.887 4.622 0 50 FJAA Cc1cccc(-c2cccc(C(=O)N(C)CC[C@@H](C)N3CCCC3)c2)c1 1506399091 JYTXXYYPILFFOI-LJQANCHMSA-N 350.506 4.608 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(-c4ccccc4)cc3)C1)CC2 1704315765 VSKIYMUSFHQRQW-VWLOTQADSA-N 369.512 4.932 0 50 FJAA Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1nccc2[nH]ccc12 2325791768 PKJXYCJGHRVHGF-GOSISDBHSA-N 361.470 4.647 0 50 FJAA Cc1cccc(C(=O)N[C@H](Nc2ccccc2C)C(Cl)(Cl)Cl)c1 939588 IYZVPLMGRYTPHS-INIZCTEOSA-N 371.695 4.842 0 50 FJAA Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc(C)c2)c1 1201988 HMVVTHILNFYUPI-CJLVFECKSA-N 370.452 4.713 0 50 FJAA CCN(CC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 1212181 NJKIYAQXJJFSLV-UHFFFAOYSA-N 374.481 4.500 0 50 FJAA CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C 1724170 UEGPYBRSXQPMTH-WTNOFXFJSA-N 355.478 4.788 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc([C@H](C)c3ccccc3)s2)cc1 2223829 KOTWFFRVVDAGNU-CYBMUJFWSA-N 368.462 4.733 0 50 FJAA Cc1cccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1 2751513 DREOZXXKKUNCOT-UHFFFAOYSA-N 358.397 4.968 0 50 FJAA CCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 2848351 NHCNNPCQLQVSCT-UHFFFAOYSA-N 352.478 4.964 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C)C2 2922442 XOBIRLNNKFFZFA-ZDUSSCGKSA-N 357.475 4.692 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2ccc(C)cc2C)c(OC)c1 2985314 LBXNLJYYHFRZQQ-AATRIKPKSA-N 356.462 4.820 0 50 FJAA CCc1c(C)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(=O)OC 5006668 NRZDWDWUMMFBOW-UHFFFAOYSA-N 361.507 4.560 0 50 FJAA CCOc1cccc(OCCOCCSc2ccc(Cl)cc2)c1 5713971 HNKVPZLFANJIGA-UHFFFAOYSA-N 352.883 4.926 0 50 FJAA O=C(Nc1nc2c(s1)CCCC2)c1cc(Br)ccc1Cl 6342581 OOVNFYXBBQYVJT-UHFFFAOYSA-N 371.687 4.690 0 50 FJAA CC(=O)c1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cs1 12719103 XFKBIFVPXNXWSZ-INIZCTEOSA-N 361.894 4.699 0 50 FJAA COc1cccc(/C=C2\C(=O)Nc3ccccc32)c1OCc1ccccc1 13915061 KKFQKLFGMGJCFB-RGEXLXHISA-N 357.409 4.767 0 50 FJAA CN(Cc1ccccc1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19762698 GZRXZWPHPFRHBV-UHFFFAOYSA-N 370.496 4.517 0 50 FJAA COc1ccc(-n2nc(-c3sc4ccccc4c3Cl)cc2N)cc1 43573946 HTALBRPQNQEGDB-UHFFFAOYSA-N 355.850 4.998 0 50 FJAA CO[C@H](C)c1nc(CC(=O)N2CCCc3cc(C(C)(C)C)ccc32)cs1 128719598 PFWHROUXMZCDGG-CQSZACIVSA-N 372.534 4.670 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)cc1F 426420263 STJAFLUJKCRXOE-HXUWFJFHSA-N 355.453 4.832 0 50 FJAA O=C(c1ccc(CN2CCCC2)o1)N(CCc1ccccc1)C1CCCC1 952964046 KTCRQMTZLWRVRP-UHFFFAOYSA-N 366.505 4.503 0 50 FJAA O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1 851916 AXODYIQJSWFIEC-UHFFFAOYSA-N 373.437 4.622 0 50 FJAA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)cc1 861610 YIGMZOCWMSPLNO-XNWCZRBMSA-N 366.642 4.763 0 50 FJAA CCCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 1787077 PAOFQSIZVMBJTD-AWEZNQCLSA-N 351.705 4.881 0 50 FJAA C[C@@H]1CCCN(CCOCCOc2ccc(Cl)cc2C(C)(C)C)C1 2823138 KBGQVTSMHGPVQX-MRXNPFEDSA-N 353.934 4.765 0 50 FJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 12093506 FXPHVSNMENFSCS-LJQANCHMSA-N 367.514 4.706 0 50 FJAA C[C@H]1CN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 20168247 HJWZZUDNWVQXHL-OALUTQOASA-N 353.506 4.501 0 50 FJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccccc3C)cc2)n1 64800720 VUDLYASYXXJDSU-UHFFFAOYSA-N 361.449 4.521 0 50 FJAA COc1cccc([C@@H]2CC(c3c(OC)ccc4ccccc34)=NN2C(C)=O)c1 170612657 ZBHAWWLJETXFHF-NRFANRHFSA-N 374.440 4.555 0 50 FJAA CC(=O)c1sccc1-c1ccc(C(=O)NCCCC[C@@H]2CCCO2)cc1 534574405 DUWPQJCCNHBUCB-GOSISDBHSA-N 371.502 4.697 0 50 FJAA CC[C@@H](C(=O)NC1CCC(O)(c2ccccc2)CC1)C1CCC(C)CC1 857484898 INIKLXCHKQCHEP-YZBCFQBFSA-N 357.538 4.786 0 50 FJAA Cc1c(C(=O)N[C@@H](C)CC(=O)c2cccs2)[nH]c2cc(Cl)ccc12 1875310417 PCDJCYXOSIAAJO-JTQLQIEISA-N 360.866 4.583 0 50 FJAA Brc1cc2ccccc2nc1Oc1cccc2c1OCCO2 1875353320 OQQHPODUPYFLLG-UHFFFAOYSA-N 358.191 4.561 0 50 FJAA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 678507 RYIUOQCOEDDFMW-UHFFFAOYSA-N 369.534 4.783 0 50 FJAA Brc1ccccc1Cn1c(-c2cscn2)nc2ccccc21 1080539 FVJPKLSAOOKJNU-UHFFFAOYSA-N 370.275 4.971 0 50 FJAA O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 1216635 PQAXIKMGKJPPGR-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA CSC1=N[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 2501010 IKQVAWAYEBGDCK-WIYYLYMNSA-N 368.502 4.602 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2cccc(C)c2C)c(OC)c1 4702064 NVTUEGQZUQOCAQ-FNORWQNLSA-N 356.462 4.820 0 50 FJAA CCOc1cccc(/C=C/c2ccc3cccc(OC)c3n2)c1OC(C)=O 4998352 WOOXRGXPAOIOPX-WYMLVPIESA-N 363.413 4.738 0 50 FJAA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](Nc2ccccc2)C1 12320546 YJDIYAJPSAYPNC-SFHVURJKSA-N 354.519 4.734 0 50 FJAA CC(C)(C)NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12594463 YNCMMWXKTARUOW-HXUWFJFHSA-N 364.489 4.756 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccc(F)c3F)C2)cc1 20205272 IOMXYWZPNVIDCH-INIZCTEOSA-N 371.406 4.874 0 50 FJAA OCc1ccc(-c2c(-c3ccccc3)ncn2[C@@H]2COC3(CCCC3)C2)o1 65373238 WICZHFBXTKTAMZ-KRWDZBQOSA-N 364.445 4.577 0 50 FJAA O[C@@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1-c1ccoc1 65406894 MDTIUYOHENJXSU-LJQANCHMSA-N 366.461 4.520 0 50 FJAA c1ccc(-c2ncn(CCCNc3cccnc3)c2-c2nccs2)cc1 65488429 XLZPNUFPUZZKAM-UHFFFAOYSA-N 361.474 4.571 0 50 FJAA CCn1cc(NCc2nc(-c3cc(Cl)ccc3Cl)cs2)cn1 121865685 BKXBLQBWKNIZTK-UHFFFAOYSA-N 353.278 4.945 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc2ccccc12 408700473 GPIARZUNLNQXHX-UHFFFAOYSA-N 355.459 4.773 0 50 FJAA c1ccc(Oc2ccc(-c3nc(-c4ccc5c(c4)CCO5)no3)cn2)cc1 904687092 XJGZYVIHAMHELF-UHFFFAOYSA-N 357.369 4.526 0 50 FJAA CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C)cc1 949010 BDXJPNBZTHFRCL-UHFFFAOYSA-N 350.418 4.862 0 50 FJAA CCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 989980 HXPUFAQPDIRDLB-UHFFFAOYSA-N 359.385 4.541 0 50 FJAA Cc1ccc(C(=O)COc2cccc(NC(=O)c3cccs3)c2)cc1C 992978 PUYOLMWBJVPWHS-UHFFFAOYSA-N 365.454 4.879 0 50 FJAA O=C(Nc1ccc(F)cc1)c1ccc(OCCOc2ccccc2)cc1 1791529 DAKMMBPXWFYGRP-UHFFFAOYSA-N 351.377 4.536 0 50 FJAA CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1 2983030 JGZAPPNOMWGDNO-UHFFFAOYSA-N 360.417 4.608 0 50 FJAA C[C@H]1CCc2c(sc3nc(SCc4ccccc4F)n(C)c(=O)c23)C1 4985715 MCQKYNOKPSGHOY-NSHDSACASA-N 374.506 4.551 0 50 FJAA COC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 8682684 RINNOMSFPQVJFC-UHFFFAOYSA-N 355.246 4.589 0 50 FJAA Cc1ccc(CN2CCC(CN(C)Cc3ccc(Cl)s3)CC2)o1 12709900 RCUAVRWAUSOUBZ-UHFFFAOYSA-N 352.931 4.647 0 50 FJAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CCCCCC4)C3)C2)c1 15063390 GUWMJHBVDHRTEW-DEOSSOPVSA-N 368.565 4.780 0 50 FJAA CC(=O)OC1=C(C)[C@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@@H]1C 16425271 ZWGFKDQMUUUAAT-ITEAAPOESA-N 363.457 4.804 0 50 FJAA COc1cccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 17145838 IFKBVXHGPNCSBD-UHFFFAOYSA-N 360.826 4.511 0 50 FJAA Cc1nc2c(C(=O)N3CCC[C@H](CCc4ccccc4C)C3)cccc2[nH]1 71479678 FACBHYPKLVSSNU-GOSISDBHSA-N 361.489 4.665 0 50 FJAA CN(C(=O)Nc1ccc(SCc2ccco2)cc1)C1CCSCC1 95519246 LKXZMNUMUGWCHL-UHFFFAOYSA-N 362.520 4.931 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)Nc1cccc(/C=C/c2ccccn2)c1 96148989 WZWBQRWHUWDBBZ-IWGBCORSSA-N 365.477 4.675 0 50 FJAA Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccncc3F)cccc2c1=O 132277392 JEAHPVZIIIGLQF-UHFFFAOYSA-N 374.371 4.555 0 50 FJAA CN(Cc1ccc2ncccc2c1)Cc1cc(CN2CCCC2)cs1 215972767 VXNYAZFWCWRBCP-UHFFFAOYSA-N 351.519 4.524 0 50 FJAA O=C(Nc1cccc2ncccc12)N1CCCC[C@@H]1CCc1ccccn1 299789081 VQRDVVZSNLNHFB-GOSISDBHSA-N 360.461 4.649 0 50 FJAA Cc1cccn2cc(C(=O)N[C@H](C)c3ccc(-c4cccnc4)cc3)cc12 1875303451 YHKLGKYVRWEFGB-QGZVFWFLSA-N 355.441 4.801 0 50 FJAA COc1ccccc1C1(CN[C@H]2c3ccccc3OC[C@@H]2F)CCCC1 1875336335 XBICYACIUAWYKS-RXVVDRJESA-N 355.453 4.568 0 50 FJAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1csc(C2CCCCC2)c1 1875338927 QOLKYPTZJIJMES-UHFFFAOYSA-N 361.507 4.703 0 50 FJAA COc1ccc(-c2cc(NC(=O)c3csc4ccccc34)ncn2)cc1 1875355857 CKITVYXESAHQIS-UHFFFAOYSA-N 361.426 4.619 0 50 FJAA CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccc(OC)c2)n1 634159 MCLBTJRDXWMJSM-UHFFFAOYSA-N 373.412 4.873 0 50 FJAA COc1ccccc1NC(=O)Oc1cc(C)c(Br)cc1C 640897 WNNXWRAISBACOQ-UHFFFAOYSA-N 350.212 4.685 0 50 FJAA O=c1c2c3c(sc2[nH]c(=S)n1C/C=C/[C@H]1C=CC=CC1)CCCC3 1061146 JUNYDUDAZUIWAZ-PPGNKHEKSA-N 356.516 4.688 0 50 FJAA CC1(C)Cc2ccccc2C(c2sc3nc4c(cc3c2N)CCCC4)=N1 1072938 GNYYUUYGNSUKME-UHFFFAOYSA-N 361.514 4.929 0 50 FJAA Cc1cc(Cl)cc(Br)c1OCCn1cnc2ccccc21 1075278 XLQPSJBMYMPHGM-UHFFFAOYSA-N 365.658 4.840 0 50 FJAA c1ccc(Cc2nnc3sc(Cc4cccc5ccccc45)nn23)cc1 1123010 SISAKLKDYGTILJ-UHFFFAOYSA-N 356.454 4.521 0 50 FJAA CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2C)c(C)c1 2850917 ZYHIQTGDEKURIJ-UHFFFAOYSA-N 360.885 4.821 0 50 FJAA O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccccc1Cl 2996404 LKRVOIPNMKXGNM-UHFFFAOYSA-N 352.846 4.827 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 5092308 FGMJUWAWERBDNT-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA CCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 12138606 PFANLNOKMWKRHM-UHFFFAOYSA-N 359.429 4.997 0 50 FJAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(F)cc1 12654146 HQOIWDITTAIBDW-UHFFFAOYSA-N 374.803 4.583 0 50 FJAA O=C(Nc1ccc2[nH]ccc2c1)N1CCCC[C@H]1CCc1ccc(O)cc1 96162978 ZDNOGSGGHUGNFJ-IBGZPJMESA-N 363.461 4.893 0 50 FJAA O=C(Nc1ccnn1-c1ccccc1)N1CCCCC[C@@H]1c1ccco1 299756871 JOOJFOWYFBVKRS-QGZVFWFLSA-N 350.422 4.615 0 50 FJAA COc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 640189 SFVJXNXREQULTK-UHFFFAOYSA-N 355.381 4.586 0 50 FJAA COc1ccc(-c2noc(C(C)(C)Oc3ccc(Cl)cc3)n2)cc1OC 800325 UKKDOOZROOTLRB-UHFFFAOYSA-N 374.824 4.721 0 50 FJAA CCOC(=O)[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 1161581 WCHGHYWFECAZNW-HNNXBMFYSA-N 358.265 4.692 0 50 FJAA Cc1cccc(N2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)c1 1189223 QOPFDWRPIGYQPB-GDNBJRDFSA-N 374.259 4.998 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2ccc(C(C)(C)C)cc12 4542458 OKXRJJZULUPJPW-UHFFFAOYSA-N 367.420 4.784 0 50 FJAA Cc1cccnc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 12308452 GCIVZNFFMWIPMS-FQEVSTJZSA-N 362.448 4.710 0 50 FJAA CC(C)c1nc2cc(C(=O)N(C)Cc3nc4ccccc4s3)ccc2o1 12596608 ZNDJSTBYTFZQOF-UHFFFAOYSA-N 365.458 4.833 0 50 FJAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 16393261 LWYZPECPVRXRKO-ULKQDVFKSA-N 360.668 4.981 0 50 FJAA CC(=O)OC1=C(C)[C@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@H]1C 16425268 ZWGFKDQMUUUAAT-UJUVCNOISA-N 363.457 4.804 0 50 FJAA Cc1cc(NCCc2ccccc2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798794 JFLIPBNGOBISKB-UHFFFAOYSA-N 360.436 4.807 0 50 FJAA Cc1nc(-c2c(-c3ccccc3)ncn2CCCCc2ccccn2)c[nH]1 65406942 CEYQMEUPCRCKTC-UHFFFAOYSA-N 357.461 4.667 0 50 FJAA CCCCN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1-c1nc[nH]n1 97742810 IUDYPBMSEGSKPV-UHFFFAOYSA-N 368.868 4.568 0 50 FJAA C[C@H](c1nc2ccccc2s1)N(C)Cc1noc(C2CCCCC2)n1 157344391 LUSVEGQFLMESPL-CYBMUJFWSA-N 356.495 4.920 0 50 FJAA Cc1ccccc1C(OC[C@@H](O)CN1CCCC[C@H]1C)c1ccccc1C 253636208 QHNFFQDJTAIQCO-RTWAWAEBSA-N 367.533 4.645 0 50 FJAA CNc1ccc(-c2cccc(C(=O)NCc3cc(CC(C)C)no3)c2)cc1 299766029 ATEZFLVLGCPSAI-UHFFFAOYSA-N 363.461 4.512 0 50 FJAA CC(C)(CC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 412708266 JEBARWSMLAGHES-JOCHJYFZSA-N 363.501 4.735 0 50 FJAA CC(C)CC(=O)Nc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 604275497 MTODTPIIAOXJIY-QGZVFWFLSA-N 350.462 4.730 0 50 FJAA O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 753318 GIZYLASSJPLDNE-UHFFFAOYSA-N 370.179 4.813 0 50 FJAA OCc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 1146733 XSFGGMHNYXWKKR-UHFFFAOYSA-N 362.050 4.827 0 50 FJAA Cc1cc(C)c(NC(=O)COc2ccc(C)cc2Br)c(C)c1 1216132 RDKTZNZNMSWQKO-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA Cc1ccc(Cc2cnc(NC(=O)COc3ccc(Cl)cc3)s2)cc1 1220211 WXQYEWFESQVRDS-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA CCCOc1ccc(C(=O)Nc2sc(CCC)cc2C(=O)OC)cc1 2101263 YUYUVTUFEVFRFO-UHFFFAOYSA-N 361.463 4.528 0 50 FJAA COc1ccccc1OCCCOc1c(C)cc(C)cc1Br 2985498 JGZOWIZUUCOWBI-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA O=[S@](Cc1ccc(Cl)cc1)CC(O)(c1ccccc1)c1ccccc1 3128214 CYSLJWHMRDKNBJ-VWLOTQADSA-N 370.901 4.525 0 50 FJAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2F)-c2nc3ccccc3nc21 4191184 XRWKLWJZYRNTRT-UHFFFAOYSA-N 362.383 4.594 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)c3cccc(Cl)c3)C(C)C)n2)c1 4856059 FNYJPJRSKMHYJN-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA O=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)[S@@](=O)c1ccccc1 5769874 QDVKVCVAEINLGA-KCNXZKISSA-N 374.676 4.733 0 50 FJAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 16448399 WWXKSNDTVPLZRW-GASCZTMLSA-N 370.880 4.995 0 50 FJAA O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1 19800184 IBBBQUFERLGZBM-XNTDXEJSSA-N 374.259 4.686 0 50 FJAA Cc1ncc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)s1 20540183 ALYIPPHJTCHRSJ-CQSZACIVSA-N 368.424 4.565 0 50 FJAA Cc1nnc(SCCn2cnc(-c3ccccc3)c2-c2ccco2)s1 63882435 SAYMSLQMDNJQSH-UHFFFAOYSA-N 368.487 4.762 0 50 FJAA CC[C@@H](c1cccnc1)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65425228 NHOSTDHDLRIWED-IBGZPJMESA-N 359.429 4.697 0 50 FJAA Cc1ccnc([C@H](Nc2cc(-c3ccccc3)nc3ccnn23)C2CC2)c1 72440823 STAUZMQDXCAQTP-JOCHJYFZSA-N 355.445 4.663 0 50 FJAA O=C(Nc1ccc(-n2cccn2)cc1)N1CCCCC[C@H]1c1ccco1 96149760 FHEKGDGNMTZUNG-SFHVURJKSA-N 350.422 4.615 0 50 FJAA O=C(Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2)c1nccc2ccccc12 1875337042 QBKUQVQXZYFVOV-UHFFFAOYSA-N 371.440 4.641 0 50 FJAA COc1cc(OC)cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 834133 ZUMGQJOTKXVJHL-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA O=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)ccc1Cl 2838320 UZVRGOUVCAPZCM-UHFFFAOYSA-N 368.702 4.657 0 50 FJAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccccc3F)n2)cc1Cl 13330439 DHSRFKMTOLLJCH-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA CCC[C@@H](NC(=O)c1ccc(NCc2ccncc2)cc1)c1ccccc1 19952997 SZHFVZBPOQFINS-JOCHJYFZSA-N 359.473 4.965 0 50 FJAA C[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC1CCOCC1 55393328 MBJDTRTUUUHAEJ-QGZVFWFLSA-N 355.453 4.732 0 50 FJAA CCN(C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2ccc(C)cc12)C(C)C 63872025 HSIWQRHIBPQQMD-UHFFFAOYSA-N 374.488 4.748 0 50 FJAA Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 174523657 ZUXJAZXSJRWCDP-MRXNPFEDSA-N 373.497 4.632 0 50 FJAA O=C(Nc1ccncc1F)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 189642417 KVDDTOVQCXHGQD-UHFFFAOYSA-N 358.722 4.563 0 50 FJAA COCc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(C)s2)s1 215868147 NPGDXLSEOZMJEB-UHFFFAOYSA-N 372.515 4.502 0 50 FJAA CCc1c(NCc2nc(C(F)(F)F)cs2)cnn1-c1ccccc1C 447884973 BRDLFYKYYWGEJH-UHFFFAOYSA-N 366.412 4.831 0 50 FJAA O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1 671242 JLIPCBFHHKCVDZ-UHFFFAOYSA-N 356.219 4.620 0 50 FJAA CC(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 728410 CVXHLQDXLNXIEV-UHFFFAOYSA-N 354.793 4.758 0 50 FJAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 1179565 BSMVZMXQNYMRNM-GFCCVEGCSA-N 356.491 4.649 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1187992 NQSYJGSJPKYZEN-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA Cc1sc2ncn3nc([C@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c2c1C 2808330 LNLNUOCRIDFQKA-KGLIPLIRSA-N 354.866 4.880 0 50 FJAA CCCCOC(=O)C[C@H](C(=O)OCCCC)P(=O)(CCC)CCC 5298247 WGALUDJNNQMMKT-MRXNPFEDSA-N 362.447 4.615 0 50 FJAA CCc1ccc(CN(C)Cc2nc(Cc3ccccc3Cl)no2)cc1 12049992 SSVPOMJQWUROKM-UHFFFAOYSA-N 355.869 4.508 0 50 FJAA Fc1ccc(Cn2ccc(NC(=S)Nc3ccccc3Cl)n2)cc1 13330878 XZCCBRMZPJHGQR-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA COc1cccc([C@H]2CCCN2C(=O)c2ccc3sc(C)nc3c2)c1 77536877 DRVKEBKQBHFRFV-GOSISDBHSA-N 352.459 4.591 0 50 FJAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3noc4c3CCCC4)c2)C1 170598118 SSJYDXWUSXTEBX-QAPCUYQASA-N 368.477 4.901 0 50 FJAA c1ccc(-c2cnc([C@@H]3CCCCN3c3nc(C4CC4)ns3)[nH]2)cc1 329178062 CLOQRBMETQXCIE-INIZCTEOSA-N 351.479 4.537 0 50 FJAA O=C(c1cccc2ccccc12)c1nn(CCCCCO)c2ccccc12 585662387 YBDCPWAZXZXQGE-UHFFFAOYSA-N 358.441 4.583 0 50 FJAA in-vitro Cc1ccc(NC(=O)c2cccc(F)c2)c(NC(=O)c2cccc(F)c2)c1 656123 KPLUHSGUPRDRJH-UHFFFAOYSA-N 366.367 4.778 0 50 FJAA CN(Cc1ccccc1)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 676677 VTWVDZGKNMLBDQ-UHFFFAOYSA-N 360.482 4.500 0 50 FJAA COc1ccc(OC)c(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1 714092 RYRBBRMKGRLEIH-UHFFFAOYSA-N 366.446 4.527 0 50 FJAA CC(=O)c1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1 873269 UFQCJMDYYIHEQG-UHFFFAOYSA-N 352.217 4.522 0 50 FJAA COc1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1OC 1054167 BLZNNJWBMYEYKR-UHFFFAOYSA-N 353.443 4.993 0 50 FJAA COc1cc(C=O)cc(Cl)c1OC(=O)c1cc(Cl)ccc1Cl 1163337 UHGNKGAOAJMETP-UHFFFAOYSA-N 359.592 4.687 0 50 FJAA COc1nc(-c2ccc(Br)cc2)c2c(n1)-c1ccccc1CC2 1205960 AQLSKDWCNMGHRU-UHFFFAOYSA-N 367.246 4.680 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 1208574 ROYKDNOGRUTFMQ-UHFFFAOYSA-N 368.477 4.875 0 50 FJAA CCCSc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 1684180 LQYOTQMCAWGRNR-UHFFFAOYSA-N 370.562 4.562 0 50 FJAA CCCCc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 2998459 UJGKMNYCLZSJCS-UHFFFAOYSA-N 352.459 4.902 0 50 FJAA CC(=O)Nc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cs1 5378672 DAKZVHVCBDYHKD-UHFFFAOYSA-N 371.849 4.674 0 50 FJAA CS[C@H](C)CCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67946257 GSBLTAPRIGYYHU-CYBMUJFWSA-N 363.548 4.765 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2cccs2)CCO3)s1 67967144 VHKTUGMODDUHGJ-UHFFFAOYSA-N 357.500 4.885 0 50 FJAA Cc1sc(Cl)nc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 253420813 MBHVMFMDZBZLLL-UHFFFAOYSA-N 372.881 4.557 0 50 FJAA CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 409991691 HTXBOVBVESHTOX-CHWSQXEVSA-N 351.771 4.806 0 50 FJAA CCc1ccc(CN2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)o1 823527615 VOALPQDSAMEUTB-UHFFFAOYSA-N 353.441 4.751 0 50 FJAA Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cn1 1875388382 YYVNIMHOIXTHDX-UHFFFAOYSA-N 368.849 4.724 0 50 FJAA O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 825863 VQRGRBUQIWUTPA-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA O=c1oc2cc(OCc3ccc(Br)cc3)ccc2c2c1CCC2 939055 BCZJHNPGYLVKQS-UHFFFAOYSA-N 371.230 4.623 0 50 FJAA CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C)c1ccccc1 1054983 CCRXFUPPFXRVLB-NRFANRHFSA-N 361.489 4.989 0 50 FJAA Cc1ccc(C)c(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 1172242 SUKZIYQWESVIHM-UHFFFAOYSA-N 362.212 4.969 0 50 FJAA O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2ccccc2c1 1218350 OOYYSZTVBNZHJN-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 2737372 XMVDJOFTRXAXHF-CYBMUJFWSA-N 371.502 4.999 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 3772508 RPBOVUWGOQOEDY-KSSFIOAISA-N 368.506 4.918 0 50 FJAA CC(=O)OC1=CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@@]12C 4578323 KPJNGUPMJAHAND-GPQLQYNLSA-N 354.446 4.525 0 50 FJAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 4702182 NHRFPXJEESKBIO-UHFFFAOYSA-N 365.498 4.695 0 50 FJAA C[C@H]1CCc2nc(NC(=O)Nc3ccccc3Br)sc2C1 13745378 XWACUMBXZPPDTJ-VIFPVBQESA-N 366.284 4.674 0 50 FJAA O=C(NCc1ccnc2ccccc12)N(Cc1ccsc1)c1cccnc1 225505335 KGALUIRCJVMOGC-UHFFFAOYSA-N 374.469 4.608 0 50 FJAA COc1cc([C@@H]2O[C@@H]3CCCC[C@H]3c3sccc32)cc(OC)c1OC 245226254 MKYPUXHLVJDKEN-SIIHOXLZSA-N 360.475 4.920 0 50 FJAA Cc1sc2nc([C@H]3CCO[C@H](C)C3)nc(O)c2c1-c1ccc(F)cc1 253536904 OACIQSTYIQCMRW-MFKMUULPSA-N 358.438 4.794 0 50 FJAA Cc1sc2nc([C@@H]3CCO[C@H](C)C3)nc(O)c2c1-c1ccc(F)cc1 253536905 OACIQSTYIQCMRW-ZWNOBZJWSA-N 358.438 4.794 0 50 FJAA CC(C)n1ccc2c(NC(=O)CC3(n4cccc4)CCOCC3)cccc21 263587357 GAGKRGCBLAFGOW-UHFFFAOYSA-N 365.477 4.558 0 50 FJAA O=C(Nc1cccc(Cc2ccccc2)c1)N(CC1CC1)C[C@@H]1CCCO1 299779509 OPBAKKWMZYOJLT-QFIPXVFZSA-N 364.489 4.700 0 50 FJAA CCN(CC)C[C@H]1CCCN1C(=O)c1ccc(-c2cc(F)ccc2C)cc1 426546221 ONGOWQNQFBFEET-OAQYLSRUSA-N 368.496 4.748 0 50 FJAA Cc1ccc(-c2cnc(CNc3cc(C[S@@](C)=O)ccc3Cl)o2)cc1 467264058 HZQBEPXAJOYPRY-RUZDIDTESA-N 374.893 4.794 0 50 FJAA c1ccc(-n2cc(-c3nc(-c4ccsc4)no3)c(-c3cccnc3)n2)cc1 904299254 XCKQZRXXSXYUPN-UHFFFAOYSA-N 371.425 4.713 0 50 FJAA C[C@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)c1ccc(Cl)cc1 1463335836 PICGFONPDHDDEH-LBPRGKRZSA-N 355.800 4.678 0 50 FJAA Cc1cc(CN2CCC(C)CC2)c(C)c(-c2nccn2CCC(C)(C)O)c1 1857713853 UPMJQOQAXWUDLM-UHFFFAOYSA-N 369.553 4.560 0 50 FJAA O=C(Nc1cnn2cccnc12)N1CCCCC[C@H]1c1ccc(Cl)cc1 2325818608 MRUMWFONGWMALZ-KRWDZBQOSA-N 369.856 4.532 0 50 FJAA CCOc1ccc(CNc2ccc(Br)cc2)cc1OCC 1109365 HJRKZZLJTGDRSI-UHFFFAOYSA-N 350.256 4.859 0 50 FJAA Cc1nnc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)s1 1115435 QGYHVEGZQUWYFU-UHFFFAOYSA-N 360.442 4.622 0 50 FJAA Cc1cccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 1773823 ICNBSKULACQSFZ-UHFFFAOYSA-N 352.478 4.783 0 50 FJAA Cc1ccc([C@H](CC(=O)N[C@H](C)Cc2ccccc2)c2ccccc2)c(O)c1 4169946 MPLPNTXKJTUBEE-AUSIDOKSSA-N 373.496 4.970 0 50 FJAA O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1F 40566651 JARSIEXAOYJGNW-UHFFFAOYSA-N 355.601 4.554 0 50 FJAA in-vitro CC[C@H](c1cccnc1)N(C)C(=O)Nc1ccccc1CN1CCCCC1 95518214 DNKXRTOKBQKQDM-OAQYLSRUSA-N 366.509 4.683 0 50 FJAA CCCC[Sn](CCCC)(CCCC)c1ncco1 169744627 YOWGRWHKDCHINP-UHFFFAOYSA-N 358.114 4.731 0 50 FJAA CC(C)C[C@@H](N)c1noc(-c2ccc(Oc3ccncc3)c(Cl)c2)n1 414627121 YYGHVSRPOMYBMT-OAHLLOKOSA-N 358.829 4.623 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 1704299246 GVZLGWMGDMFICR-FYYLOGMGSA-N 367.464 4.914 0 50 FJAA CC(C)(C)Oc1ccc(CNC(=O)NCc2ccc3ccoc3c2)cc1 2325736034 NZJZRTWTKDJFJM-UHFFFAOYSA-N 352.434 4.610 0 50 FJAA Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 641501 IKHGPWHRYZYOKP-QFIPXVFZSA-N 364.466 4.783 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 990691 OPLVUCABQYYYSV-OALUTQOASA-N 353.418 4.617 0 50 FJAA Cc1ccc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2c1 1050094 UHBKNYVXLJDPQQ-UHFFFAOYSA-N 365.376 4.968 0 50 FJAA Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 1064629 VIMNZFRVQJRYPR-GOSISDBHSA-N 361.441 4.980 0 50 FJAA COc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCCCC2)cc1OC 1130584 KRUHKBLSSUDOLK-UHFFFAOYSA-N 353.462 4.853 0 50 FJAA O=c1c(Cl)c(Cl)cnn1Cc1c(Cl)ccc(Cl)c1Cl 1779571 WJCBNLYRBWYSDA-UHFFFAOYSA-N 358.439 4.559 0 50 FJAA COc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1Cl 2859333 PMOPONCSWZAGLA-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2 4649478 AAQZPLWMAPNFHY-BHWZJQCCSA-N 353.840 4.953 0 50 FJAA CC[C@@H](C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 7759538 JOGWVBXQUAUJHO-QGZVFWFLSA-N 369.852 4.542 0 50 FJAA O=C(CC1CCCCC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11839160 QYOMXJROUKYIGI-QHCPKHFHSA-N 372.528 4.611 0 50 FJAA C[C@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1 40424450 DAAGOCSHXCDWDY-ZDUSSCGKSA-N 359.385 4.792 0 50 FJAA in-vitro C[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC1CCOCC1 55393327 MBJDTRTUUUHAEJ-KRWDZBQOSA-N 355.453 4.732 0 50 FJAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCCCC[C@@H]1c1ccncc1 120558928 JAMGOBDMLPNZNV-GOSISDBHSA-N 371.868 4.819 0 50 FJAA Cc1ccc2oc(C(=O)Nc3ccc(-c4cc(O)nc(C)n4)cc3)c(C)c2c1 238924282 ROZKBABPPFZLLI-UHFFFAOYSA-N 373.412 4.773 0 50 FJAA CC(C)Oc1ccccc1-c1cccc(C(=O)N2CC(c3ccccn3)C2)c1 426412798 NTYKWCOKPGBETD-UHFFFAOYSA-N 372.468 4.775 0 50 FJAA CCCN(Cc1ccncc1)C(=O)c1cccc(-c2c(C3CC3)n[nH]c2C)c1 534649987 VIYDTTJRELUDRL-UHFFFAOYSA-N 374.488 4.710 0 50 FJAA Cc1ccc(CN[C@H]2c3ccccc3CC2(C)C)c(O[C@@H]2CCOC2)c1 1875344375 IPCHBXBREVUWRN-KNQAVFIVSA-N 351.490 4.576 0 50 FJAA C[C@H](COC(=O)c1ccccc1Oc1ccccn1)c1cccc(F)c1 1875355023 XQCIPYBQKUIHFJ-OAHLLOKOSA-N 351.377 4.974 0 50 FJAA O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc2ccccc2c1 867258 RHNJQQRKTZYVCQ-UHFFFAOYSA-N 374.465 4.626 0 50 FJAA Cc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 958768 DOKHTCDGPFXGAM-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA COc1ccc(CSCC(=O)Nc2cccc(Cl)c2Cl)cc1 2858782 YDVGTVCAPBFKSR-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA COc1ccccc1NC(=O)c1cccnc1Nc1ccc(Cl)cc1 2866257 KMIFXUHFMUNJCF-UHFFFAOYSA-N 353.809 4.740 0 50 FJAA Cc1cc(OCCOc2ccc(C=O)cc2Br)ccc1Cl 2866745 KBTHEHBUIKXYQN-UHFFFAOYSA-N 369.642 4.681 0 50 FJAA CCCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(C)=O)cc12 2894459 CRROQEKBTTWHEL-UHFFFAOYSA-N 365.429 4.821 0 50 FJAA OC(c1ccccc1Cl)(c1ccccc1Cl)[C@H]1CN2CCC1CC2 2942456 ANTQWRNMDJTUAD-KRWDZBQOSA-N 362.300 4.571 0 50 FJAA CN(C(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 12138239 JNRLUBRQDBDRFI-UHFFFAOYSA-N 364.832 4.869 0 50 FJAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 33269821 XOQGSNMAUJPODK-INIZCTEOSA-N 371.824 4.577 0 50 FJAA CCn1c2ccccc2c2cc(CN3CCC[C@@H](c4cc[nH]n4)C3)ccc21 39360381 ZSMVZTYIAKWUSE-GOSISDBHSA-N 358.489 4.917 0 50 FJAA CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)cc(F)c2)no1 65375868 NSXRYUVNYZDFDZ-UHFFFAOYSA-N 362.408 4.658 0 50 FJAA Cc1nc(-c2cccc(NC(=O)N[C@H](C)c3nnc(C(C)C)o3)c2)cs1 95512631 PCJDBWWXQNRDAS-LLVKDONJSA-N 371.466 4.508 0 50 FJAA CN(Cc1ccccc1OCc1c(F)cccc1Cl)C[C@@H]1CCOC1 823715107 OOAFVRKBZJOSNN-HNNXBMFYSA-N 363.860 4.526 0 50 FJAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1csc(Cl)c1 1875343191 UAQVZWHBJIZZMO-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NC[C@H]1CCCCN1CCC 2325863106 VYZJQNPEECLEJP-QGZVFWFLSA-N 356.510 4.770 0 50 FJAA CC(C)(C)c1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1 630649 IUBWWXXGMGPYGN-UHFFFAOYSA-N 359.278 4.765 0 50 FJAA Fc1ccc(CSc2nncn2NCc2cccc3ccccc23)cc1 679348 GIXMTXIOTDBQRA-UHFFFAOYSA-N 364.449 4.606 0 50 FJAA COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2s1 1177637 HEADRGTVXCMBTJ-UHFFFAOYSA-N 364.879 4.689 0 50 FJAA COc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1Cl 5627390 ODJYVERFYJDWSV-UHFFFAOYSA-N 358.850 4.628 0 50 FJAA C/C(=C\c1ccccc1)CN1CCC(C(=O)NC2CCCCCC2)CC1 5638463 UJUAABFAEWUNFC-HTXNQAPBSA-N 354.538 4.641 0 50 FJAA CCCCc1ccc(NC(=S)Nc2sc(C)cc2C(=O)OC)cc1 5946375 BDHFFOZWIKGYMZ-UHFFFAOYSA-N 362.520 4.995 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 23339501 LIEYDEQPOBLZMT-QGZVFWFLSA-N 353.416 4.735 0 50 FJAA CCC(=O)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 28403723 UZHSWPKQBOEFRJ-UHFFFAOYSA-N 364.420 4.743 0 50 FJAA O[C@@H](Cn1ccnc1-c1ccc(-c2ccccc2Cl)o1)c1cccnc1 67843148 IZAWKGBVWLDNAP-KRWDZBQOSA-N 365.820 4.592 0 50 FJAA Cc1nc(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)cs1 96165781 JVCBFJSLINYXED-UHFFFAOYSA-N 367.518 4.950 0 50 FJAA Cc1cccc(-c2nc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc3n2)c1 240499983 NQADYZGRIYSBSE-CLOONOSVSA-N 371.528 6.010 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(Cl)nc2)cc1 299794734 NOAFNGVTMBHPBS-GOSISDBHSA-N 372.900 4.556 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1Br 943494 HLWVTBIFBBXNAP-FNORWQNLSA-N 360.251 4.726 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)c1ccco1 991826 CEHHIODCHZZPLO-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 1112848 FMYVTHQFBVSDAP-ZHACJKMWSA-N 364.228 4.822 0 50 FJAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 1183297 FTRJPJPLWMDJES-NSHDSACASA-N 362.882 4.686 0 50 FJAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C(Cl)(Cl)Cl 1208035 YANCEBJWTSOZSY-UHFFFAOYSA-N 355.608 4.804 0 50 FJAA CCc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)o1 2439761 FITIMEUIJKETEV-UHFFFAOYSA-N 373.503 4.557 0 50 FJAA CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1 2823995 GZIOITGQKLLNPV-UHFFFAOYSA-N 361.485 4.881 0 50 FJAA C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2ccccc2Cl)CC3=O)C1 4301338 XXOJCYWPOYETKL-KFWWJZLASA-N 369.896 4.525 0 50 FJAA Cc1ccc(C[C@@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4745714 XUASORJBXDBDGK-PJVWNMJMSA-N 365.517 4.519 0 50 FJAA CCOCCOc1cccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 4811156 SMPOTNDXOSEBDC-QGZVFWFLSA-N 363.457 4.746 0 50 FJAA COc1cccc(Cn2cc(NC(=O)Nc3ccc(C)c(Cl)c3)cn2)c1 5041444 CZZDKJJXOXGSPM-UHFFFAOYSA-N 370.840 4.546 0 50 FJAA CC(C)c1csc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)n1 11844046 AIVWWUBVRNUWTF-QFIPXVFZSA-N 372.578 4.864 0 50 FJAA Cc1ccc(C)c(C(=O)Nc2c(C)cnn2Cc2ccc(Cl)cc2)c1 55108899 YPEXMOJLFWSUJL-UHFFFAOYSA-N 353.853 4.762 0 50 FJAA Cc1ccc(-c2ccccc2CN2CCC([C@@H](O)c3ccccn3)CC2)o1 97797765 LDBQSBZISFAVJT-HSZRJFAPSA-N 362.473 4.596 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)c1 299799527 SCVIHUDOAXWLGN-SFHVURJKSA-N 355.413 4.543 0 50 FJAA CN(CCC1(O)CCCC1)C(=O)c1ccc(-c2ccc3ncccc3c2)cc1 426550643 PHTVVLXXBTXPBK-UHFFFAOYSA-N 374.484 4.669 0 50 FJAA Fc1cc(Br)cc([C@H](NCc2ccc3c[nH]nc3c2)C2CC2)c1 479578402 XDCNWHOVBFHYNL-GOSISDBHSA-N 374.257 4.705 0 50 FJAA c1ccc([C@H]2CN(CCCOC[C@H]3CCCCO3)Cc3ccccc32)cc1 1875259817 VDEATESWLKGUBL-ISKFKSNPSA-N 365.517 4.610 0 50 FJAA CCC[C@H](NC(=O)c1cc2c(nc1O)CC[C@@H](CC)C2)C1CCCCC1 1875354321 DMPXMUCYIXFRKG-BEFAXECRSA-N 358.526 4.781 0 50 FJAA Clc1ccccc1-c1csc(N2CCN[C@@H](c3ccccc3)C2)n1 2325759404 JHPHGABUKPUCPV-QGZVFWFLSA-N 355.894 4.614 0 50 FJAA O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc(-c2ccccc2)cc1 638762 SGGLWUNLWCSDMU-UHFFFAOYSA-N 374.827 4.600 0 50 FJAA COc1c(Cl)cc(C(=O)Nc2ccc(OC(F)F)cc2)cc1Cl 1119178 DLBFZMGOXDOHEC-UHFFFAOYSA-N 362.159 4.856 0 50 FJAA CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 1155745 YBGWVHDALLIFTH-UHFFFAOYSA-N 373.412 4.929 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1Cl 1165500 DKKSNJJTCKBRJN-UHFFFAOYSA-N 360.841 4.586 0 50 FJAA Fc1cccc(Cl)c1Cc1noc(-c2ccc(Br)cc2)n1 1191040 ZRMXXICWFFBVAM-UHFFFAOYSA-N 367.605 4.882 0 50 FJAA CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1 1386423 QZAXQFNVGRXOQZ-UHFFFAOYSA-N 354.793 4.766 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 2224382 UGANFAZOBRLHIH-UHFFFAOYSA-N 374.853 4.901 0 50 FJAA Clc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(Cl)cc2)cc1 2527999 JWDWNJGCHVMGMQ-UHFFFAOYSA-N 368.247 4.518 0 50 FJAA in-vitro Cc1ccccc1CSCCNC(=O)CSc1ccc(Cl)cc1 2815086 PRFZDMSWBHGVEC-UHFFFAOYSA-N 365.951 4.790 0 50 FJAA Cc1cccc(CSCc2ccc(C(=O)NCCc3ccccc3)o2)c1 3006076 WLSBTDOAAMHRCT-UHFFFAOYSA-N 365.498 4.994 0 50 FJAA Cc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)cc1 3912937 JBLFQRMWANAENO-XNTDXEJSSA-N 354.409 4.570 0 50 FJAA OC1(c2ccccc2)c2ccccc2C(O)(c2ccccc2)c2ccccc21 4428294 RYFIDGIWTNANMO-UHFFFAOYSA-N 364.444 4.568 0 50 FJAA Cc1cc(CNCc2cccn2-c2nccs2)c2[nH]c(C)c(C)c2c1 11813027 SIRBPRKHKOQKSD-UHFFFAOYSA-N 350.491 4.630 0 50 FJAA CCCN1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 14964424 XCEVCCHXOGZRCE-UHFFFAOYSA-N 361.489 4.895 0 50 FJAA Cc1cc(OCc2nnc(NC(=O)Nc3ccccc3)s2)ccc1Cl 17122715 CCAKMVHNYHOBJX-UHFFFAOYSA-N 374.853 4.723 0 50 FJAA COc1cc2c(cc1OC)CN(Cc1cccc(Cl)c1Cl)CC2 19537235 DVHNVKFNGSIGIV-UHFFFAOYSA-N 352.261 4.569 0 50 FJAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 20603322 RJEVXIKYKQSWIL-UHFFFAOYSA-N 371.409 4.782 0 50 FJAA CCCCc1nc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)c[nH]1 65383536 GZBZZNIJIBOQAC-UHFFFAOYSA-N 374.492 4.570 0 50 FJAA COc1ccc2cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)n(C)c2c1 77505559 ONPPJPLMVFLSDD-IBGZPJMESA-N 366.436 4.693 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)[nH]n2)s1 91563182 ALWQPQWEGRGFEN-ZDUSSCGKSA-N 371.893 4.730 0 50 FJAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 95529774 BBZMFGMDVCITGT-AWEZNQCLSA-N 365.399 4.503 0 50 FJAA C[C@@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1cc2ccccc2s1 171547260 DUPPSMPXXNFVOS-CQSZACIVSA-N 359.539 4.524 0 50 FJAA CO[C@@H](C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 225610889 MHIWQHAJMOVQLH-KSFYIVLOSA-N 361.441 4.624 0 50 FJAA Cc1sc(CCNC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 461496674 ZKAWQNZMBOJPAE-UHFFFAOYSA-N 356.878 4.744 0 50 FJAA O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)c(Cl)c1 575598575 WTOAYCRIVUCNNR-UHFFFAOYSA-N 369.336 4.912 0 50 FJAA in-vitro Cc1ccc2nc(NC(=O)COc3ccccc3Cc3ccccc3)oc2c1 1875347849 UGMFYBXUNFGVOY-UHFFFAOYSA-N 372.424 4.745 0 50 FJAA C[C@@H](NCc1ccc2ccoc2c1)c1ccc(OC2CCOCC2)cc1 2325726346 CFRXAWXITMDUAF-MRXNPFEDSA-N 351.446 4.841 0 50 FJAA O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1O 650734 JKHOMOATKSYGAN-UHFFFAOYSA-N 361.022 4.714 0 50 FJAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(C)o1 656569 NDDJAXRRCPRTGK-UHFFFAOYSA-N 355.415 4.664 0 50 FJAA COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 704928 UXPGCLOPEZQZTL-UHFFFAOYSA-N 363.442 4.656 0 50 FJAA Cc1cccc(C[C@@H](CC(=O)O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 985976 FQLFYVDQXMXCFA-ZDUSSCGKSA-N 366.244 4.574 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1216441 LKJORHPGONBCHV-UHFFFAOYSA-N 357.413 4.556 0 50 FJAA Cn1c(COC(=O)c2sc3ccccc3c2Cl)nc2ccccc21 4649733 LMHUDAZUQQPERW-UHFFFAOYSA-N 356.834 4.798 0 50 FJAA CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 4868973 NWCNBZKYBFIPHO-UHFFFAOYSA-N 360.457 4.549 0 50 FJAA CCC(CC)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 12099395 OQVWPJSUGMEBCG-GOSISDBHSA-N 369.484 4.733 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)Nc3ccc(F)cc3)C(C)C)n2)c1 12654115 TTWMFDPLYQIUOU-UHFFFAOYSA-N 368.412 4.627 0 50 FJAA c1ccc2oc(CN3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)cc2c1 65397834 KSXDUZCJBWHKEZ-FQEVSTJZSA-N 355.441 4.879 0 50 FJAA CC(C)(C)OC(=O)Nc1cnc(Br)c2nc(C(C)(C)C)oc12 66054454 WXYSNAFICGGIIX-UHFFFAOYSA-N 370.247 4.630 0 50 FJAA in-vitro COc1cccc(-c2cn(C(F)F)nc2C)c1C(=O)N(C(C)C)C(C)C 96163223 HLTGWGNKEUWUNX-UHFFFAOYSA-N 365.424 4.521 0 50 FJAA CCOc1cccc2cc([C@H](C)NC(=O)Nc3c(C)noc3C3CC3)oc12 129253834 DBRQQPWQSWGUNL-NSHDSACASA-N 369.421 4.888 0 50 FJAA COc1cc(F)c(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F 155643409 MBYYQGQWAWWANU-NSHDSACASA-N 360.360 4.945 0 50 FJAA CC1(C)CN(C(=O)Nc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F 252498634 RGMHVYRKTKTDRM-LBPRGKRZSA-N 357.401 4.739 0 50 FJAA O=C(OCc1nc(-c2cccs2)no1)c1cc(-c2ccccc2)cs1 1875254886 XKYQVBUYAKFMHK-UHFFFAOYSA-N 368.439 4.884 0 50 FJAA CC(C)(C)O[C@H]1C[C@H](CC(=O)Nc2n[nH]c3c(Cl)cccc23)C1(C)C 2325840133 QNNZDWBWKZAAJQ-RISCZKNCSA-N 363.889 4.775 0 50 FJAA O=c1n(Cc2ccc(C3CCCC3)cc2)ccn1-c1ccccc1Cl 2325864520 QXRNHQIBOZWVDL-UHFFFAOYSA-N 352.865 4.998 0 50 FJAA Cc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)c(C)c1 669593 SCICVYYZFZLGEM-UHFFFAOYSA-N 356.422 4.584 0 50 FJAA COc1cccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 850666 GEVDSQVZGNCAOE-UHFFFAOYSA-N 356.381 4.525 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 1114022 MLFDLIGRYMYJAX-JLHYYAGUSA-N 350.443 4.779 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl 1176848 KQFPTNZPHSXOMG-UHFFFAOYSA-N 358.869 4.981 0 50 FJAA O=C(CSCc1cccc(Br)c1)Nc1ccc(Cl)cc1 1220817 MQOINKFLOABMAP-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA CCOc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1 1480427 MFSLJLADKBBSPT-KRWDZBQOSA-N 365.458 4.530 0 50 FJAA Cc1ccc(O)c([C@H](CC(=O)N(C)Cc2ccccc2)c2ccccc2)c1 2849546 WKNGEHJBBWPHMQ-OAQYLSRUSA-N 359.469 4.881 0 50 FJAA CCCCOc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 5918877 MXBAUHQOLPPNPE-UHFFFAOYSA-N 354.475 4.709 0 50 FJAA Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2cccc(Cl)c2)n1 16578060 UXYJTKHBVRRNOG-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA Cc1cccc(-c2nc(CN(C)Cc3cccc(-n4cccn4)c3)c(C)o2)c1 19782355 WBPARCAZQWJJMJ-UHFFFAOYSA-N 372.472 4.776 0 50 FJAA CC(C)=C[C@@H](O)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 29056300 BKIACVAZUKISOR-SXSSENBOSA-N 354.402 4.582 0 50 FJAA biogenic,in-vitro O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H]1c1cccnc1 32462844 RTRSWWPZEZYBGI-QGZVFWFLSA-N 352.821 4.972 0 50 FJAA Fc1ccc(CN(Cc2ccncc2)Cc2cccc(-n3cccn3)c2)cc1 55270354 UKVRCPBYXOMRRP-UHFFFAOYSA-N 372.447 4.609 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1nc2c(C)cccc2[nH]1 91365000 ZWCFWPBDOQFYPE-HNNXBMFYSA-N 368.506 4.737 0 50 FJAA Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)Nc5nccs5)(C4)C2)C3)cc1 100846222 KRTGTHXJEXMIIB-AJHHTPGJSA-N 367.518 4.864 0 50 FJAA Cc1c(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cnn1C1CCCC1 162209321 VHUMUHBPTMMWQX-UHFFFAOYSA-N 366.509 4.531 0 50 FJAA Cn1c(CNc2ccccc2OC(F)(F)F)nc2cc(Cl)ccc21 170687351 BZKGDDBOEUIAKW-UHFFFAOYSA-N 355.747 4.737 0 50 FJAA CCOC(=O)Nc1cccc2c1[nH]c1c(-c3ccccc3OC)nccc12 214081251 NZGHSHRBCLQGTL-UHFFFAOYSA-N 361.401 4.960 0 50 FJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 239672771 BVDPOOBPQDIQEU-ZDUSSCGKSA-N 357.404 4.739 0 50 FJAA COc1cccc(C2=NN3[C@H](C(C)C)Oc4ccc(Cl)cc4[C@H]3C2)c1 248154376 CRHIFKBJGUGNCB-QUCCMNQESA-N 356.853 4.874 0 50 FJAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C12CCCC2 252515867 OFHRAKPDKMYADK-YHUYYLMFSA-N 361.448 4.551 0 50 FJAA O=C(Nc1ccccc1F)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 253427300 DWZWXXXXQXBLIR-LJQANCHMSA-N 364.424 4.975 0 50 FJAA O=C(Nc1ccc2ncsc2c1)N1CCCC[C@H]1CCc1ccccn1 299757752 MVGZHQAAEFBKFH-KRWDZBQOSA-N 366.490 4.711 0 50 FJAA Cc1cc(F)cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1 463352987 SLRCFXSAOQSZCH-UHFFFAOYSA-N 360.479 4.600 0 50 FJAA c1ccc(CO[C@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)nc1 1506417070 NLSBBOHBFJXSEE-QHCPKHFHSA-N 366.505 4.584 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(-c4ccc(C)cc4)cc3)C[C@@H]21 1704326241 YXAOYZFGBQEHOY-AOHZBQACSA-N 363.501 4.675 0 50 FJAA Oc1cccc(CNCC2(c3ccc(Br)s3)CCC2)c1F 1875317544 BRAVGCOVEXRLRK-UHFFFAOYSA-N 370.287 4.567 0 50 FJAA CC(CC[C@@H]1CC(=O)OC1(C)C)(c1ccc(O)cc1)c1ccc(O)cc1 640291 WWWPWLOCWANBSX-QGZVFWFLSA-N 354.446 4.526 0 50 FJAA Cc1ccc(-c2csc(NC(=O)C(F)(F)F)c2C(=O)OC(C)C)cc1 668873 MZYBOEMTDMKJJW-UHFFFAOYSA-N 371.380 4.790 0 50 FJAA COc1cc(CN2CCc3ccccc3C2)ccc1OCc1ccccc1 1228008 LHOOYMZJOWNTQQ-UHFFFAOYSA-N 359.469 4.833 0 50 FJAA O=C(c1ccncc1)N(Cc1ccc(OC[C@H]2CC=CCC2)cc1)C1CC1 14994185 SALZDFUKAIYPEY-IBGZPJMESA-N 362.473 4.622 0 50 FJAA CCc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)o1 42972187 HCIFUPJZSKNYMQ-CQSZACIVSA-N 371.431 4.890 0 50 FJAA COc1ccc(O)cc1CN1CCC[C@@H](CCc2c(F)cccc2F)C1 71750576 JFZPWDDRDDXLAX-HNNXBMFYSA-N 361.432 4.524 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@@H]3c3c(C)noc3C)c(C)c2c1 91587129 DDZNVOMDYYEVCA-QGZVFWFLSA-N 351.450 4.675 0 50 FJAA COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cc(C)sc2C)o1 162704125 LNTINKGGVRLXCM-GUYCJALGSA-N 362.495 4.712 0 50 FJAA CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)cc1 225567317 ISFOHBUHSHTNMF-LBPRGKRZSA-N 357.404 4.564 0 50 FJAA CC(C)(C)c1ccc(CN2CCOC[C@@H]2C[C@@H]2CNc3ccccc32)cc1 1875344912 QHBYWMOCDGWBMK-CTNGQTDRSA-N 364.533 4.784 0 50 FJAA C[C@H](NC(=O)c1cnc2onc(C3CC3)c2c1)c1cccc2ccccc12 2325710386 LQUAGEYCQDANCH-ZDUSSCGKSA-N 357.413 4.744 0 50 FJAA OCc1ccccc1C1CCN(CCCc2cncc3ccccc23)CC1 2325756453 BADMEYBQLKZJJU-UHFFFAOYSA-N 360.501 4.539 0 50 FJAA Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934662 ZDPBDWUMOACKFE-LLVKDONJSA-N 368.658 4.817 0 50 FJAA Cc1ccc(-c2nc(=S)c3c(n2C[C@H]2CCCO2)CC(C)(C)OC3)cc1 1122667 BZFRFPLPCLWNCP-MRXNPFEDSA-N 370.518 4.618 0 50 FJAA O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C1CCCC1 1135378 HUGTWPMDFNBXSC-UHFFFAOYSA-N 354.450 4.943 0 50 FJAA CCCCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 2856705 VJTSSFVNRBDVST-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 2937440 FSMTTYFCHSRTKZ-UHFFFAOYSA-N 370.518 4.943 0 50 FJAA C[P@@](=O)(c1ccccc1)C(c1ccccn1)[P@](C)(=O)c1ccccc1 4530400 WTZNUBAJGIFJLY-JWQCQUIFSA-N 369.341 4.717 0 50 FJAA CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 4869057 NXGNUWADATVXQZ-UHFFFAOYSA-N 354.450 4.568 0 50 FJAA COc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1Cl 4942948 HFQFTRYXVCWILK-UHFFFAOYSA-N 371.820 4.627 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 15078042 ODSUTFDTVRYVDY-MRXNPFEDSA-N 352.865 4.916 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3CC[C@@H](c4ccccc4F)C3)c(C)c2c1 91745639 DZWJEZXHMKQDGG-MRXNPFEDSA-N 350.437 4.862 0 50 FJAA c1ccc(Sc2ccc(CN[C@@H]3CCO[C@@]4(CCSC4)C3)cc2)cc1 157717723 AFINDETWDIFVAX-NQIIRXRSSA-N 371.571 4.982 0 50 FJAA CC(=O)Nc1ccc(CCN[C@H](C)C2(c3ccccc3)CCCC2)cc1 225565849 IXLVKLRNRXETQA-GOSISDBHSA-N 350.506 4.678 0 50 FJAA CCC(=O)N1CCCC[C@H]1c1nc(C2(c3cccc(Cl)c3)CCC2)no1 867177823 MFSPTANGYOHWMU-INIZCTEOSA-N 373.884 4.657 0 50 FJAA CN(C)Cc1cccc(Cn2ccnc2-c2c(Cl)cccc2Cl)c1 1857679915 AGXZNUZLEDSHEI-UHFFFAOYSA-N 360.288 4.967 0 50 FJAA O=C(C[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 868790 GYYHTKCNTQNSRK-IBGZPJMESA-N 374.845 4.721 0 50 FJAA CC(C)(C)c1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 1058424 KZDCAAUYWZQKRT-VWLOTQADSA-N 371.480 4.834 0 50 FJAA O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 1161306 RIAGMRDTSPLICZ-UHFFFAOYSA-N 373.474 4.919 0 50 FJAA Cc1cc(C)c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 1230584 CAUIZOATKACOFK-UHFFFAOYSA-N 365.498 4.680 0 50 FJAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 1466480 ZQVJGPHBFOLVMT-UHFFFAOYSA-N 370.496 4.557 0 50 FJAA COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2Cl)s1 2304413 JUQRLZBLUVYVTA-UHFFFAOYSA-N 360.826 4.511 0 50 FJAA O=C(NCCCCCCNC(=O)OC1CCCCC1)OC1CCCCC1 4548260 BQHPPENJOCUCJR-UHFFFAOYSA-N 368.518 4.665 0 50 FJAA COc1ccccc1[C@@H]1CCN(Cc2ncc[nH]2)c2ccc(C)cc2S1 12242041 QAFYVXAHALZFRP-IBGZPJMESA-N 365.502 4.970 0 50 FJAA COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 36620342 XOMHXQABDFFZSH-QGZVFWFLSA-N 360.841 4.726 0 50 FJAA CC(=O)c1ccc(-c2c(-c3ccccc3)ncn2[C@H](C)Cn2cccn2)cc1 65382002 ILLLHSHDWXWSFE-QGZVFWFLSA-N 370.456 4.877 0 50 FJAA CCCCOc1cc(F)ccc1-c1cc(C(=O)N2CCCCC2)ccn1 97076327 PAFAJMRSYLSPNZ-UHFFFAOYSA-N 356.441 4.693 0 50 FJAA CCCCOc1ccccc1C[C@H]1C(=O)Nc2ccc(Br)cc21 101016015 YCMSDQMGMAHFMT-MRXNPFEDSA-N 374.278 4.906 0 50 FJAA c1ccc(Sc2ccc(CN[C@H]3CCO[C@@]4(CCSC4)C3)cc2)cc1 157717874 AFINDETWDIFVAX-RXVVDRJESA-N 371.571 4.982 0 50 FJAA Cc1cnc(C(C)(C)NC(=O)Nc2ccnc(Oc3ccccc3)c2)s1 177102746 FTYRAAZOTCOTPY-UHFFFAOYSA-N 368.462 4.696 0 50 FJAA O=C(c1ccc(Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 263639785 ISFFIYCFUVRVLY-AOOOYVTPSA-N 359.697 4.543 0 50 FJAA Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccn4)=NN32)c1 328599895 UHIXRERJWJOJQC-FPOVZHCZSA-N 361.832 4.977 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 408701223 UOVALCZKNRSSQT-UHFFFAOYSA-N 353.871 4.581 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2ccc3ccccc3n2)cc1 426370766 YQRWOLKJFLJZJV-NRFANRHFSA-N 374.484 4.933 0 50 FJAA Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cc(C(C)C)no1)CC(C)(C)O2 584895080 IRHFSKQRDVRMKP-SFHVURJKSA-N 371.481 4.550 0 50 FJAA COc1cccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)c1 1114091 QFJIXXZOWRIDMD-UHFFFAOYSA-N 369.424 4.866 0 50 FJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 1115342 JDBZZWYEJFIWBL-SNVBAGLBSA-N 354.631 4.509 0 50 FJAA O=C(NCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 1130313 HGYYGKIDQMWICT-UHFFFAOYSA-N 364.832 4.522 0 50 FJAA O=C1C[C@@H](c2cccc(F)c2)Sc2nc(-c3ccc(Cl)cc3)nn21 1447505 BKVKVWIKDUHGPS-AWEZNQCLSA-N 359.813 4.615 0 50 FJAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(C(F)(F)F)cc1 3131454 WOJDQUQTGICOBY-UHFFFAOYSA-N 373.161 4.770 0 50 FJAA COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl 5063738 RDKJBZWZQLIWSL-UHFFFAOYSA-N 363.885 4.902 0 50 FJAA Cc1ccc(C)c(-c2cc(C(=O)O)c3ccc(Br)cc3n2)c1 6844775 XOKMBFARUNRTBK-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA COc1ccc(-c2nc(CN(C)C(C3CC3)C3CC3)c(C)o2)c(C)c1C 11818292 AZKSLJDIGZKFMH-UHFFFAOYSA-N 354.494 4.896 0 50 FJAA O=C([C@@H]1C[C@H]1c1ccccc1)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 12282274 LVTSPAFZHMYIKK-WMTXJRDZSA-N 369.464 4.953 0 50 FJAA O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(F)c1)CCCCCC3 17074276 CYFFOOKBRSNGET-UHFFFAOYSA-N 360.479 4.908 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)no2)cc1 36620331 JXKDYGBYTNSVET-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA Cc1ccccc1C(OC[C@@H](O)CN1CCCC[C@@H]1C)c1ccccc1C 40506056 QHNFFQDJTAIQCO-SFTDATJTSA-N 367.533 4.645 0 50 FJAA CCc1ncc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccc(C)cc3n2)cn1 63881773 OAKCNYZGGHAGFP-INIZCTEOSA-N 374.488 4.577 0 50 FJAA Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1cc3ccccc3o1)C2 67641158 MAFUHQAJGKCTRO-UHFFFAOYSA-N 372.424 4.595 0 50 FJAA COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cccc(F)c3)cc2c1 77323695 FTDGWDICPDIZIM-HXUWFJFHSA-N 352.409 4.683 0 50 FJAA Cc1cc(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)c(-c2ccccc2)o1 91676775 DWODLMLCVUFEOV-KRWDZBQOSA-N 365.433 4.739 0 50 FJAA CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)c(Cl)c3)C(=O)[C@H]2C1 100823487 ROXLGCOETMJJBV-IRXDYDNUSA-N 367.832 4.978 0 50 FJAA Cc1oc(-c2ccccc2)nc1COc1ccc(C2CC(C(=O)O)C2)cc1 170091407 FJXIYDOLMKQUSJ-UHFFFAOYSA-N 363.413 4.807 0 50 FJAA FC(F)(F)c1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 239274879 AVAXCWYVNPJHNB-VQTJNVASSA-N 366.471 4.934 0 50 FJAA O=S(=O)(c1cccc(F)c1)c1cnc2cc(F)c(Cl)cc2c1Cl 263618797 VPNQWAYHNQGRNO-UHFFFAOYSA-N 374.195 4.653 0 50 FJAA COc1cnccc1-c1cccc(C(=O)N2CCCC[C@@H]2c2ccccn2)c1 2356166377 VLTXHIKJQYZISD-OAQYLSRUSA-N 373.456 4.520 0 50 FJAA O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(OC2CCCC2)cc1 648325 GOFQSWSGRXGMMJ-UHFFFAOYSA-N 365.458 4.779 0 50 FJAA CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1075308 XFANXFYQRMNKRK-UHFFFAOYSA-N 360.413 4.590 0 50 FJAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 1126224 YASGTJZPIAFKRT-HNNXBMFYSA-N 369.635 4.779 0 50 FJAA O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)N1CCCCCC1 2761580 RHJIUFGKLFWNFR-UHFFFAOYSA-N 374.440 4.647 0 50 FJAA COc1cccc(OCCCOc2cc(C)c(Br)cc2C)c1 2984875 WMQPCFNEMCIAFT-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 6314564 JQAPQWVIVFKMCC-LBPRGKRZSA-N 358.290 4.650 0 50 FJAA Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2Cl)n[nH]1 12300986 PCAKHWJMBBTFAC-LJQANCHMSA-N 367.880 4.552 0 50 FJAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 35561792 BDPCPQACHSGHOP-GOSISDBHSA-N 352.434 4.873 0 50 FJAA COc1ccc(OC)c(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1 158778092 LYBVBZUERKTSMA-UHFFFAOYSA-N 368.820 4.672 0 50 FJAA Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3c3ccccn3)cc2s1 299784196 LJTKLDHAQAVRII-QGZVFWFLSA-N 352.463 4.759 0 50 FJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3ccccc3F)c2c1 1073570 UHMFTIRGZHSZKZ-UHFFFAOYSA-N 371.415 4.674 0 50 FJAA COc1cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1 2853546 KSQSVIZPUYUHTK-UHFFFAOYSA-N 356.369 4.532 0 50 FJAA CCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(C)c1 4867656 YKXGRNGCFOENAA-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1Cc1ccccc1 17072753 BNTOVKJDENUHQZ-UHFFFAOYSA-N 350.468 4.836 0 50 FJAA O=C([C@H]1C[C@@H]1c1ccccc1)N1Cc2ccccc2O[C@H](c2ccccc2)C1 209535587 LVTSPAFZHMYIKK-GPXNEJASSA-N 369.464 4.953 0 50 FJAA OC1(c2cccnc2)CCN(Cc2ccc(C3CCCCC3)s2)CC1 215549696 LGRDUCFIJHSMBL-UHFFFAOYSA-N 356.535 4.674 0 50 FJAA C[C@H](N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1cc(Cl)cc(Cl)c1 241965764 UVLRPZABEUVMBQ-VIMZNKNYSA-N 355.309 4.735 0 50 FJAA O=c1oc(/C=C/c2csc(-c3ccsc3)n2)nc2c(F)cccc12 328597630 IGEBONRMWCKIQF-SNAWJCMRSA-N 356.403 4.683 0 50 FJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2ccc(C)nc2C)c1 426723877 NAYWGRZEZLJEII-QFIPXVFZSA-N 359.473 4.984 0 50 FJAA CC(C)[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 750445102 LSWXBIVWSMVHRD-SFHVURJKSA-N 370.836 4.873 0 50 FJAA O=C(CCC(F)F)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 796532631 PTOZHOBKNFVXEH-ZDUSSCGKSA-N 363.191 4.520 0 50 FJAA CN(C(=O)c1ccc(OC2CCC2)cc1Cl)C1CCC(F)(F)CC1 952845983 XYSHPLIPMPXWFO-UHFFFAOYSA-N 357.828 4.921 0 50 FJAA Cc1[nH]c2c(CNC3CCN(Cc4cccs4)CC3)cccc2c1C 952871946 HPRFXZZEPBAOLA-UHFFFAOYSA-N 353.535 4.600 0 50 FJAA CCSCCOc1ccc(C(C)(C)C)cc1I 2325842889 MIVNUNZBKQLWMP-UHFFFAOYSA-N 364.292 4.721 0 50 FJAA O=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccccc1 839030 GRSURHWQLUXEKI-UHFFFAOYSA-N 356.381 4.937 0 50 FJAA COc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1 975703 OTOLGUXKDPAKJB-UHFFFAOYSA-N 353.374 4.731 0 50 FJAA Cc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 1051213 UZIHZJROKIQCIS-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA Cc1cc(I)ccc1NC(=O)c1ccc(Cl)cc1 1230474 OLERSMQBTOYRDW-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA FC(F)(F)c1cc(NCc2ccccc2Cl)nc(-c2ccccn2)n1 1391114 AUOSYUNBLMKPQB-UHFFFAOYSA-N 364.758 4.823 0 50 FJAA CC(C)(c1ccccc1)c1ccc(OCCSc2ncccn2)cc1 2845073 KSERVSFJYVUTFR-UHFFFAOYSA-N 350.487 4.974 0 50 FJAA CCOc1cccc(OCCOCCOc2cccc(C(F)(F)F)c2)c1 2984051 YGTVOHQYNWCRSE-UHFFFAOYSA-N 370.367 4.579 0 50 FJAA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2C)CC(=O)N1 4913248 AVOQFDLDYOYADQ-IBGZPJMESA-N 355.478 4.529 0 50 FJAA Cc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(F)c2)oc1C)C(C)C 11816379 HLZGZQTZULSVLB-UHFFFAOYSA-N 370.472 4.550 0 50 FJAA O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1)CCCCCC3 17074277 KSAUDTABQIMBCJ-UHFFFAOYSA-N 360.479 4.908 0 50 FJAA CCO[C@@H](C(=O)Nc1nn(-c2ccccc2Cl)cc1C)c1ccccc1 122476461 CKWMMIDPQVBGGU-GOSISDBHSA-N 369.852 4.550 0 50 FJAA CN(C)c1cccc(-c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)c1 426490508 PRDVIMRZQARLSH-UHFFFAOYSA-N 371.484 4.619 0 50 FJAA Cc1ccsc1CN(C(=O)NCCc1csc(C(C)C)n1)C1CC1 534631864 DHEBEJIXZLITKS-UHFFFAOYSA-N 363.552 4.553 0 50 FJAA Nc1nc(-c2ccc(OCc3ccc(Br)cc3)cc2)cs1 819749 GNTGLCDMAFQFQH-UHFFFAOYSA-N 361.264 4.734 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 1050723 IFIFVNFAGPKVSA-UHFFFAOYSA-N 372.896 4.902 0 50 FJAA CC(C)(C)c1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 1147069 KBLCDDZULUMBAA-UHFFFAOYSA-N 353.447 4.880 0 50 FJAA CCOc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O 1185066 AZTGKXLXANXUOW-UHFFFAOYSA-N 361.397 4.703 0 50 FJAA CCc1cc(C)cc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 2840251 AFDSSGYVJAZZTN-UHFFFAOYSA-N 359.469 4.842 0 50 FJAA COc1ccc(OC)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 2846294 HUQKJHFWGZGSAN-UHFFFAOYSA-N 357.262 4.820 0 50 FJAA O=C(CSCc1ccccc1Br)Nc1ccc(F)c(F)c1 2853660 GXNYJAFUACAXCP-UHFFFAOYSA-N 372.234 4.599 0 50 FJAA CC1=C[C@H](C)[C@H](CN(CCCN(C)C)C(=O)Nc2ccccc2)[C@H](C)C1 4670473 BTSDULYOJUKWAH-ZVDOUQERSA-N 357.542 4.711 0 50 FJAA Cc1cc(=O)oc2c1ccc1oc([C@@H](O)c3ccc(Cl)cc3)c(C)c12 5106984 ZJZFTKCZMIHTIQ-SFHVURJKSA-N 354.789 4.891 0 50 FJAA Cc1ccc2c(c1)CN(C(=O)c1csc(-c3cccs3)n1)C[C@H](C)O2 15004514 HZGCHZALHJNOHN-ZDUSSCGKSA-N 370.499 4.603 0 50 FJAA Cc1cc(C)c(C)c(OCCOCCOc2cccc3cccnc23)c1 22238501 GXFUXSXSJITGJR-UHFFFAOYSA-N 351.446 4.634 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)c2ccc(C)c(C)c2n1 72407225 NPKYNYQUVWAQMF-OAQYLSRUSA-N 359.473 4.922 0 50 FJAA COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3c(Cl)cccc32)o1 162879927 WZFNVTKAMRLYNC-MSOLQXFVSA-N 374.868 4.613 0 50 FJAA CC[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@H]21 239425805 VHGFKDSDGGXKQI-DXHZJSNDSA-N 350.502 5.772 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 252428293 WVWXYSKLKDXZJF-UYVKZUBASA-N 366.288 4.684 0 50 FJAA Cc1nc(C(=O)N(Cc2ccncc2)[C@H]2CCCc3ccccc32)cs1 825317488 BWTHRYLNRWBURE-FQEVSTJZSA-N 363.486 4.567 0 50 FJAA Cc1nnc(-c2ccccc2-c2ccc(O)c(OC(F)(F)F)c2)s1 1772807227 RXHMXGFPGCZFPU-UHFFFAOYSA-N 352.337 4.785 0 50 FJAA Cc1c(C)c2ccc(OCc3ccccc3Br)cc2oc1=O 1153509 BAYSXVRUIPXALP-UHFFFAOYSA-N 359.219 4.751 0 50 FJAA O=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 1385430 SRXPOCXFPQYJEV-UHFFFAOYSA-N 352.699 4.640 0 50 FJAA COc1cc2c(cc1NC(=O)CSc1ccccn1)oc1ccccc12 3239465 IGFOFLGQRBUWRF-UHFFFAOYSA-N 364.426 4.720 0 50 FJAA aggregator COc1cc(CNCc2ccccn2)ccc1OCc1cccc(Cl)c1 4384965 MCMRMQBQACIYAS-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA CC[C@H](NC(=O)c1cc(Cc2ccccc2Cl)no1)c1cccs1 11782326 BYODYJNKCNGDJN-HNNXBMFYSA-N 360.866 4.861 0 50 FJAA Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C1CCCC1)C2 12207311 OQEBLZIALUVAJB-UHFFFAOYSA-N 366.486 4.806 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(OC)c1 36621168 HNVAOOHXTQBRNZ-QGZVFWFLSA-N 360.841 4.726 0 50 FJAA Cc1ccnc(C[C@@H](C)N(C)C(=O)C2c3ccccc3-c3ccccc32)c1 55326700 NQHSZJFILWZCCK-QGZVFWFLSA-N 356.469 4.592 0 50 FJAA CN(Cc1cc(O)c2cccc(Cl)c2n1)[C@H](c1ccccn1)C1CC1 91254850 LXVMZOMXCUBTBF-FQEVSTJZSA-N 353.853 4.572 0 50 FJAA CCn1nc(C)c([C@H](C)NC(=O)CCc2ccc(-c3cccs3)o2)c1C 218982645 YWYAZPUKBOGLRZ-ZDUSSCGKSA-N 371.506 4.651 0 50 FJAA CCc1oc2c(NC(=O)N3CCC[C@@H](OC)C3)cc(Cl)cc2c1C 426510193 UCMGAIWPKHLLFL-CYBMUJFWSA-N 350.846 4.600 0 50 FJAA CC=CC[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)C1 1857528084 VNROJHYRGSQXOZ-OAHLLOKOSA-N 356.491 4.687 0 50 FJAA Cc1cccc(-c2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)c1 1875345771 IPZKDUUSIFCXPL-HXUWFJFHSA-N 356.425 4.727 0 50 FJAA C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1C[C@H]1c1ccccc1 2325728256 BKLZDBVKALOLFV-SSKFGXFMSA-N 358.441 4.796 0 50 FJAA Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 671240 GTIHUZZVJURHSF-UHFFFAOYSA-N 370.246 4.928 0 50 FJAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(C)cc1 676020 CLXJCTLOMLYPOE-UHFFFAOYSA-N 355.415 4.746 0 50 FJAA CC(C)COc1ccc([C@@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 753523 YCJYBYTUTWAFAD-XZOQPEGZSA-N 353.506 4.634 0 50 FJAA COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Br)cc1 1200650 FGVRHRRSAYKIEH-RUDMXATFSA-N 366.642 4.763 0 50 FJAA CCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)c(OCC)c1 2765255 LHFXDROYJQGFPF-UHFFFAOYSA-N 351.402 4.706 0 50 FJAA CCOc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 2907380 OQEOURSBBKHIOR-CVEARBPZSA-N 350.245 4.611 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccncc3)cc2)cc1 5197660 POHGWWVQHXJIBQ-UHFFFAOYSA-N 373.456 4.884 0 50 FJAA C[C@H](c1ccc(F)cc1)n1c(S)nnc1-c1ccc2ccccc2n1 5572756 CMDDTZPPUGICBW-GFCCVEGCSA-N 350.422 4.530 0 50 FJAA CCOC(=O)C1(CC2CC2)CCN(Cc2cccc(C(F)(F)F)c2)CC1 11816363 ZRQDLTFTMBRIEZ-UHFFFAOYSA-N 369.427 4.651 0 50 FJAA COc1cccc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 12432816 MBBLBSGLARPTMP-QFIPXVFZSA-N 361.489 4.665 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CC[C@H](c4ccccc4F)C3)oc2c1 77392625 UGRYTHBGTAITAQ-AWEZNQCLSA-N 353.393 4.519 0 50 FJAA Cc1cc(C)cc([C@H](C)NC(=O)N2CC3(CCOCC3)c3ccccc32)c1 252478753 AUQJYHHWEBXZTQ-SFHVURJKSA-N 364.489 4.642 0 50 FJAA C[C@@H](Nc1ncccc1C(=O)N1CCCC1)c1ccccc1C(F)(F)F 1529139760 RQZCUDGYIBFFSE-CYBMUJFWSA-N 363.383 4.510 0 50 FJAA O=C(/C=C/c1cncc(F)c1)N1CCC[C@H]1Cc1ccc2ccccc2c1 2325720607 BPCDEQIWMFHIAL-RCHCNPRSSA-N 360.432 4.621 0 50 FJAA Cc1cn2c(C(=O)O[C@@H](C)c3c(F)cccc3Cl)c(C)nc2s1 2325825159 GWIKEZMPNNYBIW-JTQLQIEISA-N 352.818 4.723 0 50 FJAA CC[C@@H](NC(=O)c1cc(OC)ccc1-c1ccccc1C)[C@H]1CCCOC1 2325842550 ALFHCKOVPFBVQL-HTAPYJJXSA-N 367.489 4.606 0 50 FJAA Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 633960 BFQKOOUXEDUCTH-JKSUJKDBSA-N 363.223 4.870 0 50 FJAA O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1ccco1 1086065 NPOPLSKIMVNHKK-UHFFFAOYSA-N 365.776 4.902 0 50 FJAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccc2ccccc12 1178373 BLHWQGYXMZXVTJ-UHFFFAOYSA-N 374.387 4.985 0 50 FJAA Cc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)cc1 1188846 DSJFBHVIBOZJCT-UHFFFAOYSA-N 366.442 4.643 0 50 FJAA O=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1Cl 1397709 XHSUNJYZVOTEQZ-CYBMUJFWSA-N 353.636 4.655 0 50 FJAA CCOc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 2309243 NDVNCJXSUTVJEE-KRWDZBQOSA-N 350.245 4.539 0 50 FJAA CCc1cc2c(SCC(=O)Nc3cccc(Cl)c3)ncnc2s1 2849156 NKZBKLLZFZSSQE-UHFFFAOYSA-N 363.895 4.638 0 50 FJAA Cc1ccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)cc1Cl 6788793 DGUMKIBKMUCNSN-UHFFFAOYSA-N 368.264 4.901 0 50 FJAA Cc1c(-c2cc(C(=O)NC3CCCCCCCCCCC3)on2)cnn1C 13641770 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367.474 4.514 0 50 FJAA O=C(CCc1c[nH]cn1)Nc1ccc(Sc2ccccc2Cl)cc1 170607959 BZTINXVBCIKXEG-UHFFFAOYSA-N 357.866 4.786 0 50 FJAA Fc1cnc(NCc2ccc(Br)cc2)nc1Nc1ccccc1 261507016 DLYFMIPICUNJSQ-UHFFFAOYSA-N 373.229 4.734 0 50 FJAA C[C@@H](c1ccc(-c2ccc(C(=O)CCC(=O)O)cc2)cc1)N1CCCC1 534588348 QHNRNXBZVZWTGC-INIZCTEOSA-N 351.446 4.558 0 50 FJAA Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 2325817740 RHBFECPCYPDPCD-UBDPLUTDSA-N 369.508 4.922 0 50 FJAA Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 995286 DDMMLVAWOYISEU-UHFFFAOYSA-N 353.425 4.535 0 50 FJAA COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1F 1121134 UEWXJHXPIXAWHY-UHFFFAOYSA-N 353.191 4.549 0 50 FJAA Cc1ccc(O)c([C@H](CC(=O)N[C@H](C)Cc2ccccc2)c2ccccc2)c1 1161789 SJWBLBROXZZCCA-DENIHFKCSA-N 373.496 4.970 0 50 FJAA CCCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1 1787826 AMCGONWEYVHXQW-AWNIVKPZSA-N 355.434 4.535 0 50 FJAA Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 2214911 ZDZYMZOUYRPVDT-UHFFFAOYSA-N 366.344 4.671 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CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(C(C)(C)C)n1 1875331641 QZDWMRBSTLPTLT-CYBMUJFWSA-N 353.260 4.906 0 50 FJAA CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 636836 DQTQZIPPLMZHDF-UHFFFAOYSA-N 367.276 4.857 0 50 FJAA COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(F)F 652562 HSZAESZHNJVTTG-UHFFFAOYSA-N 362.159 4.856 0 50 FJAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1CCCC2 1116223 LLLYBYSNTNRRPC-ZDUSSCGKSA-N 374.278 4.734 0 50 FJAA COc1ccc(CNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1122554 CQSFDCINXMXYDR-UHFFFAOYSA-N 363.486 4.925 0 50 FJAA O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 1216610 VKTIJFOZLXIUFI-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 2469529 ZWZWTRHNCZBJOL-OAHLLOKOSA-N 365.454 4.654 0 50 FJAA Brc1ccc(CNCc2ccc(Br)cc2)cc1 2506655 DNHBOKSBUKGKMI-UHFFFAOYSA-N 355.073 4.501 0 50 FJAA in-vitro Fc1ccccc1N1CCN(C(=S)c2ccc(Cl)c(Cl)c2)CC1 2849027 AHRPGMPSDXVZII-UHFFFAOYSA-N 369.292 4.630 0 50 FJAA O=C1c2ccccc2N=C2c3ccccc3CN2N1Cc1ccccc1Cl 4770317 UWRHBBPQNGJMCZ-UHFFFAOYSA-N 373.843 4.805 0 50 FJAA CCc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCC4)c3C)C2)cc1 4911541 SIXLEKQCRLZWIX-QGZVFWFLSA-N 365.473 4.898 0 50 FJAA CC(=O)c1cccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 12572099 HYOJDFKTIFXSFW-ZDUSSCGKSA-N 369.415 4.512 0 50 FJAA CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 16677451 DZYVZASJSMRTQE-WJDWOHSUSA-N 359.834 4.980 0 50 FJAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc2ncsc2c1 72408843 PKORPAHMCRAYCM-UHFFFAOYSA-N 371.512 4.754 0 50 FJAA CC(C)c1nnc(CCC(=O)N2CC3(CCCC3)c3cccc(Cl)c32)o1 192233495 SOENBTXPZJEWDK-UHFFFAOYSA-N 373.884 4.638 0 50 FJAA O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239415357 UFQISGODMCVDRI-BDJZZAGISA-N 374.311 5.634 0 50 FJAA C[C@H](NC(=O)C1CCCCC1)c1nc(-c2ccc(C(F)(F)F)s2)no1 904970861 MCEHKQXYNXSJAY-VIFPVBQESA-N 373.400 4.574 0 50 FJAA CC[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CCO1 1463194017 MBAFNKAKKDMJSM-DBQGFPOUSA-N 365.473 4.573 0 50 FJAA CC(C)(C)[C@H]1CN(C(=O)c2c(F)cccc2F)C[C@@H](c2ccccc2)O1 1529174814 YHUZZBCKGZPEOE-ZWKOTPCHSA-N 359.416 4.593 0 50 FJAA C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(OCC2CC2)c2ccccc2n1 1875357217 XKZCGTRRNQKAAY-NYHFZMIOSA-N 352.478 4.722 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)N(C)C1CCN(CCC)CC1 2325863199 ZUTDALPIULDIFZ-UHFFFAOYSA-N 356.510 4.722 0 50 FJAA CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C 631107 YDDXGGLEFKLWAW-UHFFFAOYSA-N 353.805 4.979 0 50 FJAA Cc1sc2nc(SCc3ccccc3Cl)n(C)c(=O)c2c1C 1178056 CGGDYRVTFBUGJN-UHFFFAOYSA-N 350.896 4.558 0 50 FJAA Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=O)CC(C)(C)C2 9015672 DHIDTOCXZUTQHN-UHFFFAOYSA-N 354.431 4.605 0 50 FJAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cccc3cnccc23)C1 12579702 XMGCGYXVHCWJRW-QGZVFWFLSA-N 366.411 4.608 0 50 FJAA O=C(c1cncs1)N(Cc1ccc(OC[C@H]2CC=CCC2)cc1)C1CC1 23145484 GFSBAFDRUNVAJM-KRWDZBQOSA-N 368.502 4.683 0 50 FJAA CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 27640151 LLVVDFDWPQHXBA-XTFNYULASA-N 364.526 4.916 0 50 FJAA in-vitro CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H](O)c2cccnc2)o1 65384653 FYJXMHYYUKQOHG-LJQANCHMSA-N 359.429 4.501 0 50 FJAA Clc1ccc([C@@H]2CN(c3cnc4ccccc4n3)CCO2)cc1Cl 72425468 QHPHKUCEWIFYDM-KRWDZBQOSA-N 360.244 4.515 0 50 FJAA CCn1cnnc1-c1ccc(C(=O)Nc2ccc(SC)c(Cl)c2)cc1 119276281 ZBISNOHSGORDKN-UHFFFAOYSA-N 372.881 4.593 0 50 FJAA Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 170630945 XGEZHQDJNPCJIE-NQIIRXRSSA-N 366.505 4.628 0 50 FJAA CC(C)(CO)[C@@H](CN[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 242147542 WSNXKPNHQJYBFB-ROUUACIJSA-N 351.412 4.682 0 50 FJAA CCOC(=O)N1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 1775937927 VYEUZVYUKBOUAC-UHFFFAOYSA-N 367.470 4.541 0 50 FJAA Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)ccc1Br 756446 ONWFCOHQKCVGCW-UHFFFAOYSA-N 374.278 4.654 0 50 FJAA Cc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)sc1-c1ccccc1 1054673 LHAHQANROYPBLI-UHFFFAOYSA-N 370.499 4.753 0 50 FJAA CC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 1060607 RNUPGDAHOUIGCO-UHFFFAOYSA-N 360.335 4.501 0 50 FJAA COc1cc(C=O)cc(Br)c1OCc1ccccc1Cl 1093817 PCBYMWFGUGMTCK-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1150289 GNVFTAPQSCGXOY-LBPRGKRZSA-N 368.296 4.763 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 1151541 YEIWAGMCBJUJRM-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA COc1ccc(-n2c(C)c(C(=O)c3ccccc3)c3cc(O)ccc32)cc1 2282904 KZGYWAIXCAUZMU-UHFFFAOYSA-N 357.409 4.884 0 50 FJAA biogenic CCc1ccc2c(c1)C(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)C(=O)N2 4628364 PBXUBNQHCWJLMH-UHFFFAOYSA-N 373.452 4.564 0 50 FJAA Cc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1 4808604 IUWFTBDQLZXCKW-UHFFFAOYSA-N 358.489 4.750 0 50 FJAA Sc1nnc(-c2ccccc2OCc2ccccc2)n1-c1ccccc1 5556649 FMFXVZYXPOWNPI-UHFFFAOYSA-N 359.454 4.802 0 50 FJAA CCN(CC)c1ccc(-c2nnc(S)n2Cc2ccc(Cl)cc2)cc1 17076383 FIFVFRRYWFPULE-UHFFFAOYSA-N 372.925 4.782 0 50 FJAA CCCCCCC(=O)N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl 22205089 KVWMTUZLRRQJQY-OAHLLOKOSA-N 365.732 4.559 0 50 FJAA Cc1nc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2Cl)cs1 95527644 BJIKBLYELNBMSB-GOSISDBHSA-N 370.905 4.943 0 50 FJAA CCOc1ccccc1NC(=O)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 101665214 DZBNRLJJOLPANB-AAVRWANBSA-N 368.304 4.880 0 50 FJAA C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229469583 NWXZGXXOJBAZKP-OWTLIXCDSA-N 360.445 4.522 0 50 FJAA COc1cncc(-c2ccc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2)c1 426360018 VYWNKBNHCBXGGS-JOCHJYFZSA-N 373.456 4.520 0 50 FJAA C[C@@H](C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccnc1 2325744749 JLGLZQJOKRRUKY-CYBMUJFWSA-N 354.793 4.631 0 50 FJAA Cc1cccc(-c2noc([C@H](C)Oc3ccc(Br)cc3)n2)c1 1116108 XARBQZANLDJJTH-LBPRGKRZSA-N 359.223 4.948 0 50 FJAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(Cl)c1 1183084 SDENREDEVNSPFP-UHFFFAOYSA-N 370.861 4.629 0 50 FJAA CCN(CC)CCn1c(NCc2ccc(Cl)cc2)nc2ccccc21 1272821 BCWWHRHDKDVRSE-UHFFFAOYSA-N 356.901 4.644 0 50 FJAA O=C1NN=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 1397719 KOBACOAQBPZZNM-GFCCVEGCSA-N 353.636 4.655 0 50 FJAA CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3cccs3)cc21 2873803 ISCLBKHSXWAYLH-UHFFFAOYSA-N 362.454 4.784 0 50 FJAA O=C(NCCSc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 4550867 YUHMVXXXRKQTEI-UHFFFAOYSA-N 364.942 4.700 0 50 FJAA CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(Cl)cc1 13330105 XGAMORFWDIWPNR-KRWDZBQOSA-N 351.899 4.695 0 50 FJAA O=C(c1cccnc1)N(Cc1ccc(OC[C@H]2CC=CCC2)cc1)C1CC1 14964027 KXYZZTBOZDKWJQ-IBGZPJMESA-N 362.473 4.622 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(F)ccc3F)cc12 15564437 SSXSYOMTDLCDQY-UHFFFAOYSA-N 369.396 4.926 0 50 FJAA CCN1CCN(Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)CC1 19771252 GZXYMBNWBKDMRL-UHFFFAOYSA-N 364.489 4.554 0 50 FJAA ON1C(c2cccc(C(F)(F)F)c2)=NNc2cc(Cl)c(Cl)cc21 25760279 QUCHPAQQGPDMOT-UHFFFAOYSA-N 362.138 4.995 0 50 FJAA CN(C)Cc1cccc(CN(C)Cc2ccc([C@H]3CCCCO3)s2)c1 97674314 UPAIEFLYOSNOTN-HXUWFJFHSA-N 358.551 4.683 0 50 FJAA CC(C)[C@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1ccccc1 170601865 JRXFTIYIPQBOHF-AWEZNQCLSA-N 356.775 4.881 0 50 FJAA O=C(Nc1ccnc(Oc2ccccc2)c1)[C@H]1CCCO[C@@H]1c1ccccc1 170626770 XPCLATSMQPAENO-RBBKRZOGSA-N 374.440 4.980 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(C)CCC3(O)CCCC3)cc2)cc1F 426429897 ZDBSTZCEZDWDBU-UHFFFAOYSA-N 355.453 4.568 0 50 FJAA COc1cccc(SCC(=O)N(Cc2ccccn2)C2CCCCC2)c1 824787994 RWVZMKVKTZJTRA-UHFFFAOYSA-N 370.518 4.544 0 50 FJAA Cc1c(CN2CCC([C@@H](O)c3cccs3)CC2)[nH]c2ccc(F)cc12 952990068 FUVYPIASEBKENA-HXUWFJFHSA-N 358.482 4.623 0 50 FJAA O=C(NCC[C@H]1CCc2ccccc21)c1cc(C(F)(F)F)ccc1F 1436552443 OBDKDNGQBNGVIS-CYBMUJFWSA-N 351.343 4.694 0 50 FJAA CC(C)(C)OC(=O)Nc1cc(Br)cc(C(F)(F)F)c1F 1772717591 ONCIGOOYZJQHNT-UHFFFAOYSA-N 358.129 4.954 0 50 FJAA Cc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 1180135 UEBHDGVCOUNBEC-UHFFFAOYSA-N 360.482 4.640 0 50 FJAA Cc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4)cc3O)nc2c1 1206915 NJDXMNRUCKCYHE-UHFFFAOYSA-N 374.396 4.526 0 50 FJAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1C(F)(F)F 2498149 KHWIQEQSHDUMGK-IBGZPJMESA-N 358.363 4.681 0 50 FJAA O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1CCCc2ccccc21 2764074 YNQWYFSNCDYVMP-UHFFFAOYSA-N 373.452 4.940 0 50 FJAA CCCc1nc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 77299258 AGCJMHYJQNPZME-LJQANCHMSA-N 371.550 4.525 0 50 FJAA Cc1oc(-c2ccccc2F)nc1CN1CCC[C@@H]1c1nc(C(C)C)no1 77301696 OUEMQKNUFWPTFE-QGZVFWFLSA-N 370.428 4.633 0 50 FJAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cnc(N(C)C)s2)ccc1F 102834691 QYFHKIASVYMTGV-BJWYYQGGSA-N 359.514 4.567 0 50 FJAA C[C@H](CCC(=O)N[C@@H](c1cccs1)C(C)(C)C)NC(=O)OC(C)(C)C 170614739 NEBVQHAVOIBDKW-CJNGLKHVSA-N 368.543 4.645 0 50 FJAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([C@@H]2CCCO2)s1 215508531 RGJRBYAHLRTHGI-AWEZNQCLSA-N 369.408 4.891 0 50 FJAA Cc1nccc(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1Cl 252484772 GHELGCHSBIXIQG-GFCCVEGCSA-N 365.811 4.733 0 50 FJAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccc3[nH]ccc3c2)c1 952968705 PKCFICAHCAXXRD-UHFFFAOYSA-N 361.445 4.857 0 50 FJAA CCCc1sc(NC(=O)C[C@@H]2CC2(F)F)nc1-c1ccc(OC)cc1 1940196658 YFKIMXOQCKUUSQ-GFCCVEGCSA-N 366.433 4.755 0 50 FJAA Cn1[nH]c(=Nc2ccc(-c3cccc(F)c3F)cn2)c2c(Cl)cccc21 2356169878 KGQJRMRLTQYDKG-UHFFFAOYSA-N 370.790 4.732 0 50 FJAA COc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(OC)c1 1163122 PRQKSVOEVYHIIW-FQEVSTJZSA-N 373.452 4.649 0 50 FJAA CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)ccc1O 1205838 CIVNAGHCGNNCOV-QFIPXVFZSA-N 374.440 4.870 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccc(F)cc2)cc1 2850327 CFBYIPFLESKHIT-UHFFFAOYSA-N 363.388 4.743 0 50 FJAA Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Br)s1 2857955 TZCLHZKBWNRNRD-UHFFFAOYSA-N 374.325 4.743 0 50 FJAA CCn1ncc([C@H](C)NC(=S)Nc2ccc(Cl)cc2Cl)c1C 2858979 YGRJKRFVXROVDA-VIFPVBQESA-N 357.310 4.566 0 50 FJAA O=C(O)c1ccccc1C(=O)O[C@@H]1Cc2ccc(cc2)CCc2ccc1cc2 4788209 MMUHEXGGDHKTCB-JOCHJYFZSA-N 372.420 4.624 0 50 FJAA Cc1cc(-c2ccccc2)nc(SCc2nnc(-c3ccccc3)o2)n1 6701502 ACSZKZJLWAGIJP-UHFFFAOYSA-N 360.442 4.794 0 50 FJAA Cc1nc(NCc2cccs2)sc1-c1ccn(C[C@@H]2CCCCO2)n1 14882724 CDXVWHUDBXAVRE-AWEZNQCLSA-N 374.535 4.558 0 50 FJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Br)n1 25757657 MRXCEYKGPXZUBZ-UHFFFAOYSA-N 373.247 4.521 0 50 FJAA Cc1cc(-n2cnc3ccccc32)n2ncc(-c3ccc(Cl)cc3)c2n1 40216579 WDRMZERCKSECJU-UHFFFAOYSA-N 359.820 4.697 0 50 FJAA FC(F)C(F)(F)CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71745960 XYMIJSGQHBAZEX-LBPRGKRZSA-N 360.178 4.657 0 50 FJAA c1coc(-c2cc(Cn3ccnc3-c3ccc([C@@H]4CCCCO4)o3)no2)c1 77342444 LCAHBUNAVZUKOS-HNNXBMFYSA-N 365.389 4.681 0 50 FJAA Cc1nccn1CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 97696152 JBQIJOSLLVYUGE-UHFFFAOYSA-N 351.416 4.513 0 50 FJAA Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 100548040 XXBWSXOXCLJHPS-CQSZACIVSA-N 362.256 4.732 0 50 FJAA Cc1cc2c(NC(=O)N[C@H](CC(C)(C)C)c3cccnc3)cccc2nn1 299783258 ZJMHOIRVVNJEOL-LJQANCHMSA-N 363.465 4.632 0 50 FJAA CC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2ccc(C)nc2C)c1 426505784 OFWNILKFOCDQHR-JOCHJYFZSA-N 359.473 4.984 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1Cl 1163333 OTSKNBRRDLGOQE-UHFFFAOYSA-N 352.246 4.601 0 50 FJAA O=C(Nc1ccccc1F)c1cccc(-c2cc3ccccc3oc2=O)c1 2436765 SRVJTYZITDBXNW-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA O=C1Oc2ccc3cc(Br)ccc3c2C[C@H]1c1ccccc1 29135394 KNCWGGDYISFPIT-INIZCTEOSA-N 353.215 4.848 0 50 FJAA in-vitro Cc1cccc(Cl)c1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 132275193 KHXMULAAOAAINK-LJQANCHMSA-N 372.852 4.692 0 50 FJAA Cc1cnc([C@@H](C)NC(=O)NC2CCC(c3ccc(F)cc3)CC2)s1 331534596 XJSINFZDYOEQQG-BZOOQXSSSA-N 361.486 4.677 0 50 FJAA O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1cccs1 841327 HRXDTPGLUZFYIC-UHFFFAOYSA-N 370.286 4.750 0 50 FJAA CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(OC)c1 2443314 LOCRWUVDMABZLI-UHFFFAOYSA-N 359.882 4.919 0 50 FJAA Cc1cc(C)c2nc(NC(=O)COc3ccc(Cl)cc3C)sc2c1 2983118 INIHHQFIEZHICN-UHFFFAOYSA-N 360.866 4.892 0 50 FJAA CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 4842486 HFVMUZMXLPLFIC-UHFFFAOYSA-N 350.443 4.815 0 50 FJAA FC(F)(F)c1cnc(-c2nc[nH]n2)c(Sc2ccc(Cl)cc2)c1 5763581 QRNADIDQQGWZHI-UHFFFAOYSA-N 356.760 4.690 0 50 FJAA Cc1c(Cl)cccc1NC(=O)COCc1cc(-c2cccs2)on1 6876546 AQFUTMSECANYEI-UHFFFAOYSA-N 362.838 4.520 0 50 FJAA COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)C(C)(C)C)on2)cc1 12120249 DUNRLHRWPOIHKJ-SFHVURJKSA-N 356.466 4.840 0 50 FJAA Cc1c([C@@H](C)NCc2cccc(O)c2)cnn1-c1cccc2ccccc12 12468408 DEPZZGYRLLWCHC-MRXNPFEDSA-N 357.457 4.890 0 50 FJAA COc1ccccc1CN[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12593215 ONLAKLBOHLFOBT-OAQYLSRUSA-N 361.489 4.665 0 50 FJAA Cc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(C)c1O 12744667 LMOBDLAWICDMEB-CQSZACIVSA-N 371.431 4.632 0 50 FJAA COc1cc(CN[C@H](C)c2cn3ccsc3n2)ccc1OCC=C(C)C 55401958 ARZLASQSPADDFH-OAHLLOKOSA-N 371.506 4.600 0 50 FJAA Cc1c(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cnn1C 71755013 PSKJJZKRTPTRKB-MRXNPFEDSA-N 365.443 4.592 0 50 FJAA CCCCCc1ccc(NC(=O)C(=O)Nc2ccc3ncccc3c2)cc1 119064898 GZOCSXJDGOKKLK-UHFFFAOYSA-N 361.445 4.545 0 50 FJAA CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 263618941 WFVNPIOLCHUCHD-LJQANCHMSA-N 361.445 4.837 0 50 FJAA C[C@H]1CC(=O)CC[C@@H]1c1nc(C2(c3c(F)cccc3F)CCCC2)no1 329597284 PJMNFKDXOQPSEO-JSGCOSHPSA-N 360.404 4.681 0 50 FJAA CC(C)(C)[C@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@@H](c2ccccc2)O1 1875245189 OGLBOGRNBZMHIO-VQTJNVASSA-N 368.521 4.872 0 50 FJAA Cc1cc(OCCSc2nnc(-c3cccs3)n2C)ccc1Cl 2847032 SCLCPLGHCLQNKI-UHFFFAOYSA-N 365.911 4.677 0 50 FJAA CCc1ccc(-n2c(S)nnc2CSCc2ccccc2C)cc1 6395164 GNMPALLYZDWEEJ-UHFFFAOYSA-N 355.532 4.860 0 50 FJAA OCC1(Cc2ccccc2)CCN(Cc2ccccc2-c2ccco2)CC1 12202393 BLFVNYFVNXYUHI-UHFFFAOYSA-N 361.485 4.764 0 50 FJAA Fc1ccc(CN2CCC(c3[nH]ncc3CCc3ccccc3)CC2)cc1 12242533 KOMQJDFHYFDCKW-UHFFFAOYSA-N 363.480 4.714 0 50 FJAA Cl/C(=C\c1ccccc1)CN1CCN(C/C=C/c2ccccc2)CC1 22586662 KBPZEHAWBXTJIF-KUZSRZIKSA-N 352.909 4.597 0 50 FJAA Cc1cc2c(cc1NC(=O)C(C)C)NC(=O)C[C@@H]2c1cccc2cnccc12 65384669 AWIHRIOZYRDHJX-GOSISDBHSA-N 373.456 4.612 0 50 FJAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCCC[C@@H]1c1cccc(F)c1 91350757 PKHAQQXOFILITN-LJQANCHMSA-N 367.399 4.722 0 50 FJAA COc1ccccc1[C@@H](c1ccccn1)[C@](C)(O)c1cccc(Cl)c1 96027057 REIVRNUGXIAAIZ-LEWJYISDSA-N 353.849 4.783 0 50 FJAA C[C@@H](NC(=O)Nc1ccc(Cn2ccnc2)cc1)c1ccc2ccccc2c1 151048723 KIRLFZGQYQTMJV-QGZVFWFLSA-N 370.456 4.967 0 50 FJAA CCOc1ccc(-c2ccc(CN3CCC[C@@H](c4ccncn4)C3)o2)cc1 216194638 OKWWYQAERVTQFR-GOSISDBHSA-N 363.461 4.515 0 50 FJAA Fc1ccccc1OC1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 952981845 KSCRNPAADPHJLU-UHFFFAOYSA-N 369.484 4.707 0 50 FJAA COc1nccc(-c2nc3cc(Cl)ccc3n2CC2CCCCC2)n1 1875408388 VAFSGXPXSUQMPZ-UHFFFAOYSA-N 356.857 4.736 0 50 FJAA O=C(NOCCOc1ccccc1)c1ccc(Cl)cc1-c1ccccc1 2325866377 IXYSEUBEGWBESJ-UHFFFAOYSA-N 367.832 4.747 0 50 FJAA Cc1ccc(NC(=O)N2CCCC[C@H]2C)c(NC(=O)N2CCCC[C@H]2C)c1 640707 QRFCWAJRAAZCNU-IAGOWNOFSA-N 372.513 4.808 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 779764 OWZYDGWHCPKNCZ-QNGOZBTKSA-N 355.393 4.610 0 50 FJAA Cn1cnc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc21 862242 VXOBGVCQSMULMJ-UHFFFAOYSA-N 367.456 4.583 0 50 FJAA Cc1cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl 1179293 XKTSXKNXITXMHH-UHFFFAOYSA-N 357.881 4.509 0 50 FJAA COCc1cc(C)nc2sc3c(c12)N[C@H](C)n1c-3nc2ccccc21 1421746 YGRXLJKYKAYKJQ-NSHDSACASA-N 350.447 4.712 0 50 FJAA CCCCOc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)n2)cc1 2473853 HHVCNOZXVXMMDI-UHFFFAOYSA-N 354.406 4.600 0 50 FJAA S=C(NCc1cccs1)Nc1ccc(Br)cc1Cl 2857091 DTRBQWTUSDMRHH-UHFFFAOYSA-N 361.717 4.651 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 2965374 GJQDHUNCHIMVJZ-UHFFFAOYSA-N 361.825 4.558 0 50 FJAA COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2F)o1 4820320 BRINEMDLUDQYJE-UHFFFAOYSA-N 373.767 4.778 0 50 FJAA COc1cc(/C=C/c2ccc3ccccc3n2)cc(Cl)c1OC(C)=O 5077667 WLWVMRFXZHSNEE-VQHVLOKHSA-N 353.805 4.993 0 50 FJAA CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1C 11903329 JQJQZUBGRNIOEL-IBGZPJMESA-N 363.486 4.961 0 50 FJAA COc1ccccc1C(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 12597161 IBHPZCXCWKINFA-FQEVSTJZSA-N 373.452 4.584 0 50 FJAA CCOC(=O)/C=C(/C)N1N=C(/C=C/c2ccccc2)C[C@H]1c1ccccc1 32620500 LBVMKYMCFNYGIK-NPAQYBKOSA-N 360.457 4.970 0 50 FJAA CCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)on1 33269939 SEAWNENAJLYOTI-INIZCTEOSA-N 371.824 4.523 0 50 FJAA Cc1ccc2[nH]cc(C(=O)N(Cc3ccccc3Cl)C(C)C)c(=O)c2c1 55245037 AMQVJWBIHIXXNY-UHFFFAOYSA-N 368.864 4.541 0 50 FJAA C[C@@H](CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1 65394217 CCHFKEPJJFDZIG-KRWDZBQOSA-N 367.518 4.562 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3[nH]ccc3c2)cc1 77408033 KJFVDYHKXDRTCX-JOCHJYFZSA-N 361.489 4.597 0 50 FJAA Cc1c(C)c(C)c2c(OC[C@@H](O)CNC(C)C)c(C)c(C)c(C)c2c1C 86032818 DZVKINROBQDYAA-FQEVSTJZSA-N 357.538 4.736 0 50 FJAA COc1ccc(CN(Cc2cccc(Cl)c2)C(=O)[C@H]2CC23CC3)cc1 97711637 ACGNYRWOWVARHG-LJQANCHMSA-N 355.865 4.678 0 50 FJAA Fc1ccc(OC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(F)c1 193877369 WQOWQRXBCTWGLK-UHFFFAOYSA-N 370.399 4.663 0 50 FJAA CCOc1ccc(Sc2c(NC(C)=O)c3ccccc3n2C(C)=O)cc1 230141831 NCWURZGZMRDSKD-UHFFFAOYSA-N 368.458 4.810 0 50 FJAA Cc1cc2cc(NC(=O)N3CCC[C@H](c4nc(C(C)C)no4)C3)ccc2o1 299762357 VNRIKJZRYYNXTK-AWEZNQCLSA-N 368.437 4.659 0 50 FJAA CCCCCC[C@@]1(C)N=C(O)N(c2csc(-c3ccccc3)n2)C1=O 328595455 VKZOIYOGFKQIPI-LJQANCHMSA-N 357.479 4.800 0 50 FJAA Cc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)nn1C1CCCCC1 329237073 OTZFVUJKQLTZTI-NRFANRHFSA-N 366.509 4.849 0 50 FJAA O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC=C(c2ccco2)C1 2325873446 HNYJEVHPSJLZAS-UHFFFAOYSA-N 369.424 4.752 0 50 FJAA Brc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 623187 MAKPUHQSXDGVNN-UHFFFAOYSA-N 368.298 4.921 0 50 FJAA COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 710238 FKXWKHGPINVUFT-UHFFFAOYSA-N 370.499 4.554 0 50 FJAA CCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 1135550 UKVUFSZWMSIVTE-UHFFFAOYSA-N 367.232 4.603 0 50 FJAA CC1=CC(C)(C)N(C(=S)NC(=O)c2ccc(F)cc2)c2ccc(C)cc21 1200832 MWSADQVXNCTYPF-UHFFFAOYSA-N 368.477 4.851 0 50 FJAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1C(F)(F)F 2498147 KHWIQEQSHDUMGK-LJQANCHMSA-N 358.363 4.681 0 50 FJAA O=C(Nc1ccc(F)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 2977906 PXBNGMBQLUATNR-UHFFFAOYSA-N 362.817 4.565 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1cc(C(C)C)ccc1C 2991389 INFKMNGSNJRYRI-UHFFFAOYSA-N 358.478 4.910 0 50 FJAA O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1 3832073 DZFBYHUKZSRPHU-UHFFFAOYSA-N 365.795 4.687 0 50 FJAA in-vitro COc1cc(OC)c(CNc2ccc(C)c(C)c2)cc1Br 4982132 IUJUQNFATMJGJC-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c(C)c1 7759940 FTZONTLVPPLPEL-UHFFFAOYSA-N 363.461 4.794 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1cccc2ncccc12 11873269 ZAQXCMKERFZMIV-NRFANRHFSA-N 372.447 4.727 0 50 FJAA CN(Cc1cccnc1)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl 12075260 LNUMSEAXCLNCSJ-HXUWFJFHSA-N 364.876 4.916 0 50 FJAA Cc1c[nH]c(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2Cl)n1 12300001 BFCUQMFZVJPDEM-GOSISDBHSA-N 367.880 4.552 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN(C)Cc2cccc(-n3cccn3)c2)cc1C 12302698 FHDPBRRXCBJYJY-UHFFFAOYSA-N 371.488 4.511 0 50 FJAA O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c(-c3ccco3)ccnc12 13644541 CHDMGAOQMJYHJQ-UHFFFAOYSA-N 373.199 4.548 0 50 FJAA COc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1 28290850 FXBTWLZJZUVLNI-UHFFFAOYSA-N 352.821 4.591 0 50 FJAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)no1 64984715 XVYLYZUMYMMISC-INIZCTEOSA-N 351.809 4.789 0 50 FJAA CC(C)Cn1cncc1CN1CCC[C@H](CCc2ccc(F)cc2F)C1 72139013 YMMOVGSNNMBBSB-QGZVFWFLSA-N 361.480 4.662 0 50 FJAA Oc1ccc(Cl)cc1/C=C/c1ccccc1I 200900529 TYKSUCPJWYOZSZ-AATRIKPKSA-N 356.590 4.821 0 50 FJAA Nc1c2c(nc3oc(-c4ccccc4)cc13)C[C@@H](c1ccccc1)CC2=O 253495621 KUGLBDPEDBPHDO-MRXNPFEDSA-N 354.409 4.990 0 50 FJAA CC1(C)C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253598161 WAFJRNODYIQPFV-YGLRMMQHSA-N 358.522 4.898 0 50 FJAA Cc1cc(C)cc([C@@H](OC(=O)[C@@H]2Cc3ccc(F)cc32)C(F)(F)F)c1 1354437480 DIWWVECDUCYHOZ-IAGOWNOFSA-N 352.327 4.929 0 50 FJAA O=C(NC12CCC(F)(CC1)CC2)c1cc(C2CC2)nc2ccc(F)cc12 1875258672 GAZIABVYVWPFFU-UHFFFAOYSA-N 356.416 4.796 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H](c3ccccc3)[C@H]2C1 1875338643 FKTLRBINRXFDLD-QRQLOZEOSA-N 359.391 4.971 0 50 FJAA COc1ccc(C)cc1NC(=O)Oc1cc(C)c(Br)c(C)c1 640827 ZPUDQTRNDKMFDA-UHFFFAOYSA-N 364.239 4.994 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)cc1C 649305 BABFDAUCZZZFHZ-ROUUACIJSA-N 374.484 4.768 0 50 FJAA Cc1cc(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)ccc1Cl 2796584 JJAWRVPKZJDRKU-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA COc1cccc(OCCCOc2ccc(C(=O)c3ccccc3)cc2)c1 2937536 PZIDPVJWIHBBFF-UHFFFAOYSA-N 362.425 4.774 0 50 FJAA CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CCCC 4623955 YNYQMYAEFVMQLX-UHFFFAOYSA-N 373.522 4.604 0 50 FJAA CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)cc1 65394755 JBSICBPVMLRZPO-UHFFFAOYSA-N 368.440 4.619 0 50 FJAA CC(=O)c1cc(CC(=O)N2CCCC[C@H]2CCc2cccs2)cs1 97637901 DMRVLOMCISHLJG-INIZCTEOSA-N 361.532 4.569 0 50 FJAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 104271974 XCOBSMXYJUADIU-QAMTZSDWSA-N 356.368 4.561 0 50 FJAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 333601025 CQTHUYCCTGRQOD-APWZRJJASA-N 366.509 4.878 0 50 FJAA C[C@H](c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1)N1CCCCC1 426668958 HJTCCWVRSXWQKW-GOSISDBHSA-N 365.521 4.855 0 50 FJAA COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1 624173 RZKCAHLNOXOGSP-UHFFFAOYSA-N 374.465 4.902 0 50 FJAA aggregator CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 724331 SXLPATHCKRIMRR-UHFFFAOYSA-N 367.474 4.725 0 50 FJAA CC(=O)Nc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 851846 XKYZKWDCIZURDX-UHFFFAOYSA-N 358.397 4.521 0 50 FJAA Cc1ccc(C)n1-n1cnc2scc(-c3ccc(C(C)C)cc3)c2c1=O 952926 KRZKIXLFOCOZME-UHFFFAOYSA-N 363.486 4.978 0 50 FJAA O=C(CCSc1ccccc1)Nc1ccc(Br)cc1F 1117688 HQEOUQTYWQBLAC-UHFFFAOYSA-N 354.244 4.709 0 50 FJAA Cc1ccc(C)c(NC(=O)CSCc2cccc(Br)c2)c1 2964025 SNVLGEZWZUOQOX-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA CCOP(=O)(OCC)/C(=C\c1ccccc1)NC(=O)c1ccccc1 5334425 CRKMSIYQAHPZBD-SDXDJHTJSA-N 359.362 4.681 0 50 FJAA CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 5645383 OHLFLLADJORNSR-UHFFFAOYSA-N 366.383 4.582 0 50 FJAA COc1ccc(Cl)cc1-c1noc(COc2ccc(Cl)cc2)n1 6702895 ADBLAPAPKBFUJH-UHFFFAOYSA-N 351.189 4.631 0 50 FJAA CCOc1cccc(CNCc2cccnc2)c1OCc1ccc(C)cc1 6716001 VKVXGKFFLJBRII-UHFFFAOYSA-N 362.473 4.658 0 50 FJAA Fc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2c(F)cccc2F)C1 19594928 PFTLAYPVEAWDQL-OAHLLOKOSA-N 371.406 4.874 0 50 FJAA C[C@@H]1[C@H]2CCCN2CCN1Cc1cccc(Oc2ccc(Cl)cc2)c1 19771293 LANXFHNBSBOPCN-IIBYNOLFSA-N 356.897 4.801 0 50 FJAA Cc1nc(NCc2ccoc2)sc1-c1ccn(Cc2ccc(F)cc2)n1 23431543 HRIXDOLFJQOQQB-UHFFFAOYSA-N 368.437 4.708 0 50 FJAA COc1ccc(C2=N[C@H](c3ccccc3OC)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504095 SWLHDTSFXKGONJ-MBHPWSQKSA-N 370.452 4.631 0 50 FJAA COc1ccccc1-c1ncc(CN2CCC[C@@H]2c2ccccn2)s1 72162626 FWTDAONVKRWIMG-GOSISDBHSA-N 351.475 4.551 0 50 FJAA c1coc(-c2ncc(CN3CCC[C@H]3c3nc4ccccc4s3)cn2)c1 77563963 CJUWGPUNQIEBBA-INIZCTEOSA-N 362.458 4.683 0 50 FJAA Cc1ccc(SCc2cc(O)n(-c3nc4ccccc4s3)n2)cc1 100758588 SJCOIVQDARNKDO-UHFFFAOYSA-N 353.472 4.788 0 50 FJAA C[C@H](CC(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1F 132459064 SWTGPYUVOYUPFI-CQSZACIVSA-N 369.415 4.507 0 50 FJAA C[C@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 248239683 GNGMYUPULPXERU-XQRZMJPBSA-N 366.480 4.920 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(F)c2F)c1 299777869 LIMFKBYYPYSWEF-QGZVFWFLSA-N 359.416 4.663 0 50 FJAA Cc1ccc(NC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)c2cccnc12 426496886 KKCHFDZXHDJFGC-GOSISDBHSA-N 374.488 4.533 0 50 FJAA O=C(O)C(F)(F)[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)c2ccccc2)C1 902149751 OEQQJJCKCMFOCG-HSALFYBXSA-N 373.443 4.839 0 50 FJAA C=CC(=O)N(Cc1cnn(C2CCCCC2)c1)CC1(c2ccccc2)CC1 1875386818 ZNAKRKGUPLGPJQ-UHFFFAOYSA-N 363.505 4.635 0 50 FJAA O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1ccccc1 1073209 VXGJTEBPUIYAMK-UHFFFAOYSA-N 357.862 4.736 0 50 FJAA Cc1cc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)c(C)s1 1076152 BTJKPXXIPGHXOJ-UHFFFAOYSA-N 358.488 4.909 0 50 FJAA COc1ccc([C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 1109208 SEPPDFUVNXZUQY-FQEVSTJZSA-N 351.833 4.868 0 50 FJAA CC(C)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Br)c1 1145832 IYYQLLIYBYMNGP-UHFFFAOYSA-N 366.230 4.729 0 50 FJAA COc1ccccc1Nc1ccccc1C(=O)Nc1ccc(C(C)=O)cc1 1165419 VNHPHDNEWBJPTH-UHFFFAOYSA-N 360.413 4.894 0 50 FJAA O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 2853357 KXTYRLGXEPTVSX-UHFFFAOYSA-N 358.703 4.732 0 50 FJAA COc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 2980775 KRSXGWINCDDGDF-UHFFFAOYSA-N 363.482 4.918 0 50 FJAA O=C(CSc1nccn1-c1ccccc1)c1ccc(Br)cc1 4003110 JIOJKGCMYISMSZ-UHFFFAOYSA-N 373.275 4.610 0 50 FJAA COc1ccc(Br)cc1C(O)(c1ccccc1)c1ccccc1 4764969 ZAAFSUAFYVKKBX-UHFFFAOYSA-N 369.258 4.742 0 50 FJAA COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC 5074014 CJEGFPBYKDEKTF-UHFFFAOYSA-N 357.262 4.820 0 50 FJAA CCO[C@H](c1ccccc1)[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 5335550 LTVYVPNMZWITOX-KXBFYZLASA-N 357.406 4.556 0 50 FJAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccccc1Cl 13331316 NZIILVWXOJTQKJ-UHFFFAOYSA-N 372.831 4.985 0 50 FJAA O=C(Nc1ccccc1N1CCCC1)N1CC=C(c2ccccc2F)CC1 119895977 NKPYPKFGJLWOQP-UHFFFAOYSA-N 365.452 4.747 0 50 FJAA CC[C@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1 157687681 XZLSEISXHTTZCE-SFHVURJKSA-N 365.452 4.602 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245255061 FGRICAIZIHIJBY-ZCUMGQRUSA-N 355.384 4.960 0 50 FJAA CSc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 299760779 JYOQAJYWWITGAD-FQEVSTJZSA-N 368.546 4.756 0 50 FJAA COc1ccccc1C1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 824810177 LUUCOLXTXISTQG-OAQYLSRUSA-N 355.478 4.909 0 50 FJAA CC(C)C(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl 827621550 BFFPHICUZILTCD-UHFFFAOYSA-N 358.869 4.851 0 50 FJAA CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 538415 MUTNCGKQJGXKEM-UHFFFAOYSA-N 351.446 4.986 0 50 FJAA world Brc1ccc2[nH]cc(-c3nnc4ccc5ccccc5n34)c2c1 711749 BGVPQOMZQNSGDU-UHFFFAOYSA-N 363.218 4.793 0 50 FJAA O=C(Cc1ccc2sc(-c3ccccc3)nc2c1)NCc1ccccc1 754460 SGQAHYWKISFDGX-UHFFFAOYSA-N 358.466 4.822 0 50 FJAA CC(C)c1ccc(NC(=O)c2cccc(I)c2)cc1 904105 VHXSRRRQRRRFBC-UHFFFAOYSA-N 365.214 4.667 0 50 FJAA COc1ccc(/C=C(/C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 1151603 YTESRQLHNGFJPM-CJLVFECKSA-N 359.425 4.883 0 50 FJAA Cc1cc(NC(=O)Cc2cccs2)ccc1NC(=O)c1cccs1 1216797 VSTJPUNVBLSEKE-UHFFFAOYSA-N 356.472 4.552 0 50 FJAA CSC1=N[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 2501007 IKQVAWAYEBGDCK-GHTZIAJQSA-N 368.502 4.602 0 50 FJAA O=Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)ccc2ccccc12 2812944 KHBJDLHXMQGGJV-UHFFFAOYSA-N 362.406 4.573 0 50 FJAA O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccs1 4418073 GTGPDZYTHPRVGG-UHFFFAOYSA-N 355.806 4.857 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 4755170 JIAGZKFTVLYSLI-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA CSc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 11998754 DLSMEKGQVHDROD-AWEZNQCLSA-N 355.482 4.893 0 50 FJAA CC(=O)c1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)c1 12093032 RQGCTGUNRVDCKC-JOCHJYFZSA-N 373.500 4.878 0 50 FJAA C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccccc1Br 13745951 JINQXTWGFHQUMG-NSHDSACASA-N 363.230 4.961 0 50 FJAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnc(C(C)C)nc3)nc2c1 63883678 YVOXAZNPCKXELA-INIZCTEOSA-N 374.488 4.748 0 50 FJAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)c1scnc1C 65434512 JPXXIXQRWTWJDQ-UHFFFAOYSA-N 365.458 4.519 0 50 FJAA CCn1ccc2cc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)ccc21 72447552 SNDCKJDMVPOWCZ-UHFFFAOYSA-N 359.429 4.588 0 50 FJAA CSC1(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1 475768739 KAABORBNQCBSJO-UHFFFAOYSA-N 353.274 4.890 0 50 FJAA COc1ccc(-n2nc(C(=O)O[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2C)cc1 1352369480 GGZNMNFOLFFAQG-ABSDTBQOSA-N 368.477 4.705 0 50 FJAA O=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1ccco1 756231 JBYVQVKJIXZODE-UHFFFAOYSA-N 356.381 4.937 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)c(C)c3)C(C)C)n2)c1 1070227 FIRRKNUKKVLFKU-UHFFFAOYSA-N 363.461 4.713 0 50 FJAA O=Cc1cc(Br)ccc1OC(=O)c1cc(Cl)ccc1Cl 1160833 CLOQKAMBAAPQKX-UHFFFAOYSA-N 374.017 4.788 0 50 FJAA Cc1cc(S(=O)(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c(C)s1 1422702 OEXVAIBJNQRDIW-UHFFFAOYSA-N 359.472 4.538 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccccc2N2CCC(C)CC2)cc1C 2850638 SPZHNVXPZDXICS-UHFFFAOYSA-N 352.478 4.557 0 50 FJAA Cc1ccc(CSCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 2855040 QRSYJRVIZIBOHY-KRWDZBQOSA-N 359.560 4.834 0 50 FJAA Cc1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3C)C[C@H]2C)cc1 2856749 KVWWIQKSEUWZTP-OAHLLOKOSA-N 373.953 4.864 0 50 FJAA COc1ccccc1-c1cc(C(=O)Nc2ccccc2C(F)(F)F)no1 3908063 ZOUCQYNBHQKVHU-UHFFFAOYSA-N 362.307 4.621 0 50 FJAA Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(C)C3=O 4838651 TYDBLDUTMSHLIJ-FQEVSTJZSA-N 361.441 4.708 0 50 FJAA Cc1cccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)c1 4866885 AJVVNVLOQFZTFZ-SDNWHVSQSA-N 354.409 4.570 0 50 FJAA O=C(Cc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 5198106 BZFMGMQPSOPMSC-UHFFFAOYSA-N 355.397 4.585 0 50 FJAA CCOc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 17123756 VUAKHKWYBMNUQD-UHFFFAOYSA-N 371.444 4.846 0 50 FJAA O=C1[C@@H](c2ccccc2)c2ccccc2N1N1CCC[C@H]1c1ccccc1 44125048 ZJCDYCYJCMBPGC-GMAHTHKFSA-N 354.453 4.917 0 50 FJAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2cc(-c3ccco3)on2)[nH]n1 67774469 UZWQLGTYTZYCOV-UHFFFAOYSA-N 371.400 4.545 0 50 FJAA Cc1cc2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ccc2o1 72481334 PWUXNVBUFJIXEG-MRXNPFEDSA-N 359.429 4.637 0 50 FJAA COc1ccc2c(c1)cc(C(=O)N1CCCCC[C@H]1c1ccco1)n2C 97217397 ARNHZRHOQMKDKG-SFHVURJKSA-N 352.434 4.537 0 50 FJAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1 97743166 IEOSZNXQXBGWCD-OAHLLOKOSA-N 371.444 4.535 0 50 FJAA O=C(Nc1ccncc1F)c1ccc(-c2cccc(C(F)(F)F)c2)o1 122790706 VFETUBXUIGODPG-UHFFFAOYSA-N 350.271 4.752 0 50 FJAA 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 257349425 OAWOATRDZLDNDV-UTNDXIFNSA-N 362.554 4.769 0 50 FJAA COCCC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c2ncccc12 299794519 KQTIIYMJBZKUOH-AWEZNQCLSA-N 361.873 4.701 0 50 FJAA O=C(N[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccco1 623004 QXLKMKFUSOOLDO-IBGZPJMESA-N 371.845 4.664 0 50 FJAA O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1 644481 SGNLNNQWKOKWHQ-UHFFFAOYSA-N 360.196 4.581 0 50 FJAA Cc1cc(NC(=O)Cc2ccccc2)ccc1-c1cc2ccccc2oc1=O 841493 ICXXCMLZAFGTTJ-UHFFFAOYSA-N 369.420 4.950 0 50 FJAA O=C(Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1)c1ccccc1 1133214 JGNVXTBCKOQALP-UHFFFAOYSA-N 373.437 4.801 0 50 FJAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 1178493 FBQIGWGSZZSDLT-UHFFFAOYSA-N 364.348 4.578 0 50 FJAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(F)cc3)ccc12 2204485 LHMNCKSNMUSUES-UHFFFAOYSA-N 368.404 4.845 0 50 FJAA biogenic Cc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 5046561 ZDJFXFIHZCIJIS-UHFFFAOYSA-N 368.396 4.727 0 50 FJAA C[C@@H](c1ccc(F)cc1)n1c(S)nnc1-c1ccc2ccccc2n1 5559587 CMDDTZPPUGICBW-LBPRGKRZSA-N 350.422 4.530 0 50 FJAA Cc1cc(C)c(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)o1 12438651 DISRGWJLALQWOA-SFHVURJKSA-N 363.461 4.526 0 50 FJAA CSc1ccccc1NC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12585842 AHHMNXZXPKAOPN-MRXNPFEDSA-N 361.555 4.717 0 50 FJAA Fc1ccccc1Cn1ccc(NC(=S)Nc2cccc(Cl)c2)n1 13330447 ALOFIYQZEQJDJE-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1nccs1)C2 67743649 GBJZGGMQENLWQL-UHFFFAOYSA-N 372.877 4.564 0 50 FJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C1CCCCC1)C2 67769811 XCZRRBFZIKMTRE-UHFFFAOYSA-N 358.869 4.635 0 50 FJAA CC(=O)c1cc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cs1 72155879 IRGGRQCIKHTHOA-JAXLGGSGSA-N 369.530 4.603 0 50 FJAA Cc1cc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)c2cccc(Cl)c2n1 97636576 XWQQRDOHBHGVNM-INIZCTEOSA-N 372.896 4.618 0 50 FJAA O=C(O[C@@H]1CCN(Cc2ccccc2)C1)[C@H](c1ccccc1)C1CCCC1 101359132 LAUAHIVTDOZZLW-DHIUTWEWSA-N 363.501 4.778 0 50 FJAA O=C(NCC(F)(F)C(F)F)Nc1ccccc1Oc1cccc(F)c1 170616993 AVGQDAUSLXEVFA-UHFFFAOYSA-N 360.282 4.640 0 50 FJAA CN(C)c1cccc(-c2cccc(C(=O)N(Cc3ccncc3)C3CC3)c2)c1 299771124 SQBFTCJHDSIBOB-UHFFFAOYSA-N 371.484 4.619 0 50 FJAA Cc1ccc(NC(C)(C)C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 952973467 ZYBLPPOWFWKUCN-UHFFFAOYSA-N 364.411 4.863 0 50 FJAA COCCn1ccc2c(NC(=O)c3ccc(C(C)(C)C)cc3)cccc21 1857798296 UQSSYULAJMDEBS-UHFFFAOYSA-N 350.462 4.838 0 50 FJAA O=C(O[C@H]1COC[C@H]1CC1CC1)c1ccc(OCC2CCCCC2)cc1 1875357839 YRDYNTLMJFGTTB-CTNGQTDRSA-N 358.478 4.618 0 50 FJAA Cc1cccc(C(C)C)c1NC(=O)C[C@H]1Sc2ccccc2NC1=O 644148 AMOAUJZVXKOCOI-QGZVFWFLSA-N 354.475 4.560 0 50 FJAA C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C[C@@H](C)O1 940561 IPLAPXVSBNNRIV-ZIAGYGMSSA-N 353.853 4.564 0 50 FJAA O=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 1410684 IMYYDKQPNKYZQR-UHFFFAOYSA-N 370.040 4.603 0 50 FJAA Cn1cc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c2ccccc21 2562046 JVAZAHINMGGOFA-GOSISDBHSA-N 363.457 4.917 0 50 FJAA CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 2721604 CVXMVZMHYVGFHZ-UHFFFAOYSA-N 373.499 4.985 0 50 FJAA Cc1nc(C(F)(F)F)c(C(=O)O)cc1-c1nc(-c2ccccc2)cs1 4276654 AXBBYZUKIKQBNR-UHFFFAOYSA-N 364.348 4.898 0 50 FJAA COc1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 4438511 HJTLKTBWMVAVFP-UHFFFAOYSA-N 374.465 4.687 0 50 FJAA Cc1cccc(-c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)c1 16579836 RWOJRSZHGYJYEF-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)C3=Cc4ccccc4OC=C3)[nH]c2c1 77340418 IFWUSDCHRKTMFQ-FQEVSTJZSA-N 371.440 4.525 0 50 FJAA CCc1oc2ccccc2c1CN(C)c1nc(Cl)c(C(=O)OC)s1 170591653 XGCMNXXZRLSNHI-UHFFFAOYSA-N 364.854 4.528 0 50 FJAA COC[C@@H]1CCCN1C(=O)Nc1ccccc1SCc1ccc(C)cc1 299766348 CRURLKBCKULKFE-SFHVURJKSA-N 370.518 4.930 0 50 FJAA Fc1ccc([C@H]2CCN(Cc3cc(CN4CCCCC4)cs3)C2)cc1 670454138 SQULYKVRMGSYOS-IBGZPJMESA-N 358.526 4.863 0 50 FJAA Cc1nc(C(=O)N(Cc2ccncc2)[C@@H]2CCCc3ccccc32)cs1 825317489 BWTHRYLNRWBURE-HXUWFJFHSA-N 363.486 4.567 0 50 FJAA Cc1c(NC(=O)[C@H](c2ccccc2)C2CCCC2)cccc1C(=O)N(C)C 827648972 LSWCYBZDVUFGCN-OAQYLSRUSA-N 364.489 4.609 0 50 FJAA Cn1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)nc2ccccc21 1875321140 VXMITNYHHTVBTO-UHFFFAOYSA-N 368.396 4.634 0 50 FJAA FC(F)Oc1ccc2c(c1)[C@@H](Nc1cc(-c3cccs3)ncn1)CC2 1875408114 OSETXBDWCRJMFE-AWEZNQCLSA-N 359.401 4.906 0 50 FJAA Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCC[C@H]2CCCN21 2325841765 FPRHKHZCTKMYEN-SIKLNZKXSA-N 363.505 4.563 0 50 FJAA Cc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccccc3)cc2)cc1 937738 IVICOAYINFILIG-QGZVFWFLSA-N 374.440 4.653 0 50 FJAA CC(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCC2 1081030 IJZZBBGFIPRQAA-UHFFFAOYSA-N 350.443 4.601 0 50 FJAA O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1175849 DYDKLMCCYSZROJ-UHFFFAOYSA-N 357.388 4.931 0 50 FJAA O=C(CSc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1 1262273 CXQGRONQLAXMLK-UHFFFAOYSA-N 352.843 4.820 0 50 FJAA CN(C)C(=S)Sc1c(Cl)c(Cl)nc(Cl)c1C(F)(F)F 1423273 IIXPDRSGYKLCMX-UHFFFAOYSA-N 369.648 4.999 0 50 FJAA Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5516469 GGELKXVVOOVMHD-UHFFFAOYSA-N 363.852 4.674 0 50 FJAA O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 22145809 XGXHFTWZXQLTTD-CSKARUKUSA-N 362.410 4.914 0 50 FJAA C[C@@H](CCn1cccn1)n1cnc(-c2ccccc2)c1-c1ccc(O)cc1 65366250 RNZPUKMIZFXJBB-KRWDZBQOSA-N 358.445 4.771 0 50 FJAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2-c2nc3ncccc3[nH]2)o1 72151959 RIVSQZMUFKMPGY-UHFFFAOYSA-N 359.364 4.518 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CCCC[C@@H]1c1nccs1 82114815 GABOTOKZOPOZKH-MRXNPFEDSA-N 369.515 4.558 0 50 FJAA C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1 173853553 OPEPCMIHSPYEDA-LBPRGKRZSA-N 373.478 4.582 0 50 FJAA Cc1cccc(N2CCC(N[C@H](c3ccccn3)C(F)(F)F)CC2)c1C 952868324 JTZNJGLXRFBKNV-LJQANCHMSA-N 363.427 4.560 0 50 FJAA Cc1ccc(COc2cccc(NC(=O)/C=C/c3cncs3)c2)cc1 2325748791 POWHDBRBPLFBEQ-MDZDMXLPSA-N 350.443 4.682 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3ncccc3o2)c1 722929 QSSQFLQLAHMGJK-UHFFFAOYSA-N 363.804 4.724 0 50 FJAA CCOc1ccc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)cc1OC 951466 KIEQKWRGNRIYAL-JXMROGBWSA-N 368.458 4.664 0 50 FJAA O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccs1 1105593 MFZLDTNAFJYJQN-UHFFFAOYSA-N 365.863 4.995 0 50 FJAA in-vivo Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 1212636 DBIFEXHHVDJUGV-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA CCCCC(=O)NC1=C(C(=O)OCC)C2(CCCCC2)Cc2ccccc21 2237440 WSFWPFGZJFODMD-UHFFFAOYSA-N 369.505 4.774 0 50 FJAA COC(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1C 2851720 VOTOJUHHFRJYGU-UHFFFAOYSA-N 363.866 4.556 0 50 FJAA CC(C)(CC(=O)O)CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 4788838 ADIDPIZLSLBACM-UHFFFAOYSA-N 368.458 4.793 0 50 FJAA Cc1ccc(O)c(NC(=O)c2cccc3c(Br)cccc23)c1 4833802 NQQCZEKGFFYTGL-UHFFFAOYSA-N 356.219 4.869 0 50 FJAA Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2cccs2)cc1 4954242 WZHDFAGELLOQDW-HXUWFJFHSA-N 370.495 4.845 0 50 FJAA Cc1ccc(-n2c(S)nnc2-c2ccc(Br)cc2)c(C)c1 5425793 KTDMBBCXEFMWNS-UHFFFAOYSA-N 360.280 4.602 0 50 FJAA Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)/C=C/C(C)C)C2)c1 14993496 PYJHIXKTWUSJRO-CFGKVWFZSA-N 363.505 4.679 0 50 FJAA Clc1cccc(Cl)c1CN1CCN(C/C=C/c2ccccc2)CC1 19634105 RNINUDCKRNCJCS-VMPITWQZSA-N 361.316 4.824 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c(OC)c1 36621165 NPMIQXRDAGERFF-KRWDZBQOSA-N 360.841 4.726 0 50 FJAA C=C[C@](C)(C[C@H]1OC(C)(C)O[C@@]12C[C@@H](C)CC1=C2C(=O)CC1)C(=O)CC 43763670 JPLZZXDRCVXQSV-GCPVUHDESA-N 360.494 4.528 0 50 FJAA COc1ccc(COc2ccc([C@H](C)C(=O)O)cc2Cl)cc1Cl 45068586 XYECNWUPHWRKEO-JTQLQIEISA-N 355.217 4.769 0 50 FJAA COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 170612581 OXCBKFDUSGYNSS-GOSISDBHSA-N 363.244 4.700 0 50 FJAA CC(=O)N1CCCN(Cc2ccccc2Oc2cccnc2)c2ccccc21 174870161 ZCTWVIAKNWTAJM-UHFFFAOYSA-N 373.456 4.637 0 50 FJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](C(=O)O)[C@@]4(C)CC[C@H]32)C1 253615023 SCNWNOJSZNDWCA-RGKYROCZSA-N 362.510 4.662 0 50 FJAA O=C(COc1ccccc1)Nc1ncc(Cc2cccc3ccccc23)s1 934444 LEZHTSBPXSTAAA-UHFFFAOYSA-N 374.465 4.905 0 50 FJAA CCOc1ccc(NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 1123271 NFBQDHAROITTJM-UHFFFAOYSA-N 363.486 4.880 0 50 FJAA Cc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccccc1 1175230 KAGOHXIDAKXRQY-UHFFFAOYSA-N 359.429 4.569 0 50 FJAA Brc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 2839755 ODYPBXGAPAAWIZ-UHFFFAOYSA-N 359.223 4.511 0 50 FJAA COc1cc(C=O)ccc1OCCCCOc1ccccc1OC(C)C 2983939 WZLDZBWIQJVMFM-UHFFFAOYSA-N 358.434 4.533 0 50 FJAA COc1ccc(-c2ccnc(-c3ccc(OC(=O)c4ccco4)cc3)n2)cc1 4050263 VDRHHJJABFEMKP-UHFFFAOYSA-N 372.380 4.631 0 50 FJAA COc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O 4199155 GPCFTESENMCTSY-SOFGYWHQSA-N 372.218 4.588 0 50 FJAA O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C[C@@H]2CC=CCC2)CC1 12431648 DEXGRTWUAQPCGN-GOSISDBHSA-N 364.489 4.953 0 50 FJAA CC(C)(C)CN1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 12439430 VNWQETZVFMTBNT-UHFFFAOYSA-N 367.493 4.571 0 50 FJAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)s1 15867139 NNMDBAHRADABPD-HNNXBMFYSA-N 358.463 4.934 0 50 FJAA c1ccc(-c2ncn(CCn3nnc4ccccc43)c2-c2ccsc2)cc1 65526952 RYUQRCLJPVLCAW-UHFFFAOYSA-N 371.469 4.724 0 50 FJAA COc1cc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)ccc1O 71776538 ZZPODXSRTODJKZ-HNNXBMFYSA-N 361.432 4.524 0 50 FJAA COc1cccc([C@@H](C)N(C)C(=O)c2cc3cccc(Cl)c3n2C)c1 97694871 TYRLJNBOQKOHOC-CYBMUJFWSA-N 356.853 4.674 0 50 FJAA CN1C[C@H](C(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1 229878601 AHZUCLYTAPMAGO-IRXDYDNUSA-N 367.798 4.887 0 50 FJAA C[C@@]1(c2ccc(Cl)c(Cl)c2)N=C(O)N(c2ccccc2Cl)C1=O 328594770 BIXMDGATZGOJPP-INIZCTEOSA-N 369.635 4.823 0 50 FJAA O=C(c1cccc(-c2cnccn2)c1)N(Cc1cccnc1)C1CCCCC1 426566875 KQIBOMZATNASSA-UHFFFAOYSA-N 372.472 4.514 0 50 FJAA O=C(Nc1ccccc1Cl)c1cc(-c2cccnc2)n(-c2ccccc2)n1 2325723481 GTPXTHYXRRNAPT-UHFFFAOYSA-N 374.831 4.840 0 50 FJAA Cc1cc(=O)oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc12 629674 RLGNILMIMTUEQG-UHFFFAOYSA-N 370.404 4.839 0 50 FJAA biogenic Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3ccc(F)cc3)c2)c1 1115925 GMALNEQIHWODME-UHFFFAOYSA-N 363.388 4.743 0 50 FJAA CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1OC(C)=O 1123669 LTOHGSHXUPTTLD-UHFFFAOYSA-N 356.349 4.521 0 50 FJAA FC(F)(F)c1cnc(NCCNCc2ccc(Cl)cc2)c(Cl)c1 2555693 IHMOAQIHUVXNAP-UHFFFAOYSA-N 364.198 4.609 0 50 FJAA biogenic CC(=O)c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2756156 HOZRIDROFYDSNM-UHFFFAOYSA-N 367.228 4.961 0 50 FJAA CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 2865359 XEDMFSGWJXFPLL-IAGOWNOFSA-N 350.462 4.500 0 50 FJAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4163124 PXLOOYFRPQPLNL-MSOLQXFVSA-N 373.836 4.962 0 50 FJAA CCOC(=O)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 4653600 PNZYPFDPCJVDHB-HXUWFJFHSA-N 367.489 4.717 0 50 FJAA COc1cc(-c2cccc([C@H](C)N3CCCC3)c2)cc2cc(C(=O)O)oc12 67947221 ZXVVDPWXJBLEDM-AWEZNQCLSA-N 365.429 4.963 0 50 FJAA CC(=O)c1c(C)cc(C)c(-c2nccn2[C@H](C)Cc2cc(C)[nH]n2)c1C 72457942 URNJHOINSRGOSC-OAHLLOKOSA-N 350.466 4.513 0 50 FJAA Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)on1 95524815 NFYPPOBZIVNNRG-OAQYLSRUSA-N 363.461 4.784 0 50 FJAA CC(=O)c1cccc(NC(=O)CNc2c(Cl)ccc3sc(C)nc23)c1 225545480 ITBYFSKNPAKNLM-UHFFFAOYSA-N 373.865 4.511 0 50 FJAA c1ccc(CCCOC[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 252489147 JHUHWJCMCSSAED-UHFFFAOYSA-N 357.477 4.584 0 50 FJAA Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N[C@@H](C)Cc2cccs2)c1 534656969 OAKOUKQFZCSAJM-ZDUSSCGKSA-N 365.502 4.685 0 50 FJAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C[C@@H]2CCCCC[C@@H]21 1875264160 FZJHOSKJWSMOOW-OALUTQOASA-N 363.505 4.681 0 50 FJAA Cc1nc(N[C@@H](C)c2cccc(-n3cccn3)c2)cc(SC(C)C)n1 1875321556 MXLACUVMFYDCSD-AWEZNQCLSA-N 353.495 4.644 0 50 FJAA Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1Br 631054 GSVSGFNDHCVBEW-UHFFFAOYSA-N 369.056 4.772 0 50 FJAA COc1ccc(OC(=O)c2oc3ccc(Br)cc3c2C)cc1 1057172 HKJURYZKFUOXHC-UHFFFAOYSA-N 361.191 4.732 0 50 FJAA CCc1sc(NC(=O)c2ccc(OC)c(OC)c2)nc1-c1ccccc1 1129074 KKVCPVPZDXUIMY-UHFFFAOYSA-N 368.458 4.642 0 50 FJAA CCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 1134314 GJVAIPDJGFDQGE-HNNXBMFYSA-N 350.414 4.622 0 50 FJAA biogenic COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC 1180205 YJUQWGUCJFEHLT-SNVBAGLBSA-N 354.233 4.502 0 50 FJAA CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc1 1773500 GGGGOFVIZPLIMF-UHFFFAOYSA-N 355.434 4.511 0 50 FJAA COCc1ccc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 12373742 DLROLLGNAWCZEA-SFHVURJKSA-N 369.505 4.818 0 50 FJAA CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1C1CCCC1 17076362 JUVOYLRGVRDWBU-UHFFFAOYSA-N 372.538 4.810 0 50 FJAA Fc1ccccc1Nc1ncc(CN2CCC[C@H]2c2ccccn2)s1 23191666 MQRZFLTZAFJYSE-SFHVURJKSA-N 354.454 4.758 0 50 FJAA Oc1cccc(-c2c(-c3ccccc3)ncn2C[C@@H](O)c2ccccc2)c1 65419770 XZIAIDZDVSJXBA-OAQYLSRUSA-N 356.425 4.656 0 50 FJAA C1=C[C@@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 169818883 HOVHKZIQYZHDRL-HHHXNRCGSA-N 374.559 4.507 0 50 FJAA Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1conc1C 1458214866 QQAAOHGSCSXRRH-UHFFFAOYSA-N 367.405 4.960 0 50 FJAA Cc1cc(C(F)(F)F)cnc1-c1cc(F)ccc1OC[C@@H]1CCCO1 1875326111 AMZNJBISVLNUAV-AWEZNQCLSA-N 355.331 4.773 0 50 FJAA O=C(NCc1ccccc1)c1cccc(COc2ccc(Cl)cc2)c1 663004 OHRXLYKOUYOEKV-UHFFFAOYSA-N 351.833 4.849 0 50 FJAA O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccccc1F 723754 QMRAYVQAQAPXGG-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA CCOC(=O)[C@H](CC)Sc1ncnc2scc(-c3ccccc3)c12 955543 LOWYXIKASQIIHQ-AWEZNQCLSA-N 358.488 4.792 0 50 FJAA CCn1c(SCc2cccc(Br)c2)nnc1-c1ccco1 2373753 OJLXUPAIJDMXCL-UHFFFAOYSA-N 364.268 4.613 0 50 FJAA Fc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1 2458841 HAQQFJKNSHWZRT-UHFFFAOYSA-N 353.344 4.975 0 50 FJAA Brc1ccc(OCCCOc2cccc3cccnc23)cc1 2985305 ZXGHSDYGQIHVLX-UHFFFAOYSA-N 358.235 4.845 0 50 FJAA COc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)c1 4881112 JDRIOOQSXQVQIJ-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA C[C@@]1(c2ccncc2)Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5570355 JKTAGXCCYMLMKN-UNMCSNQZSA-N 359.404 4.637 0 50 FJAA CCc1ccc(-n2c(S)nnc2CSCc2ccc(C)cc2)cc1 6395149 UDWRCIBKUMPUHF-UHFFFAOYSA-N 355.532 4.860 0 50 FJAA Cc1cccc2c(C(=O)NCc3cccnc3)cc(-c3ccccc3)nc12 6614586 SQZKWEHIEBDUMZ-UHFFFAOYSA-N 353.425 4.535 0 50 FJAA Cc1ccc(-n2cc(CN[C@@H](C)c3cnn(-c4ccccc4)c3C)cn2)cc1 11766147 LIUPYQIAWNWNKU-SFHVURJKSA-N 371.488 4.526 0 50 FJAA COCCCC1CCN(Cc2c[nH]nc2-c2cccc3ccccc23)CC1 12434420 VCBZJHUDLLSKLB-UHFFFAOYSA-N 363.505 4.869 0 50 FJAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccccc3C)n2)c(C)c1 13330453 LEIBGWDTLSXMNV-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)N1CCCC[C@H]1c1ccccn1 91596097 QVOKWUBDSOROQV-INIZCTEOSA-N 365.260 4.521 0 50 FJAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1cc3cc(Cl)ccc3oc1=O)C2 101028982 CBFWQRKCLVOYKR-KRYHZZBUSA-N 360.837 4.818 0 50 FJAA O=C(COc1cccc2cccnc12)N[C@H](c1ccc(Cl)cc1)C1CC1 170046410 NDQQTAAQYROLDD-FQEVSTJZSA-N 366.848 4.535 0 50 FJAA CC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1Cl)c1ccccc1 170601866 JRXFTIYIPQBOHF-CQSZACIVSA-N 356.775 4.881 0 50 FJAA CCc1cccc(OC2CN(C(=O)Nc3cc(C)c(F)cc3Cl)C2)c1 299761630 MEEGTJKIVJZRBX-UHFFFAOYSA-N 362.832 4.645 0 50 FJAA O=C(C1CCC(C(F)(F)F)CC1)N1CCc2c1cccc2C(F)(F)F 436028260 BSOLEPAKGUILQZ-UHFFFAOYSA-N 365.317 4.963 0 50 FJAA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1 732292 SJPUEXLVKLGYQL-UHFFFAOYSA-N 358.846 4.540 0 50 FJAA CCn1c(Cc2ccccc2)nnc1SCc1c(F)cccc1Cl 786339 AENOKPONWAERRZ-UHFFFAOYSA-N 361.873 4.974 0 50 FJAA Cc1cc(=O)oc2c(C(=O)c3ccccc3)c(OCc3ccccc3)ccc12 1215828 IDPIFRINTHNATR-UHFFFAOYSA-N 370.404 4.911 0 50 FJAA CCCSc1nnc2c(n1)O[C@@]1(CCC[C@H](C)C1)Nc1ccccc1-2 2862674 LRFBDTDMGAHIHR-ORAYPTAESA-N 356.495 4.751 0 50 FJAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccc(SC)cc3)ccc2O1 12218166 LSNFLTIBYOUDGF-RDTXWAMCSA-N 355.503 4.541 0 50 FJAA Clc1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1Cl 13131449 IOUCPTPGGGJRIL-CHWSQXEVSA-N 351.262 4.793 0 50 FJAA CCc1ocnc1C(=O)Nc1ccccc1SCc1ccccc1F 55403729 OTCXYILVNYGHCS-UHFFFAOYSA-N 356.422 4.921 0 50 FJAA O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(C(F)(F)F)c1 65354817 CVCGIORMQQAACT-UHFFFAOYSA-N 350.214 4.969 0 50 FJAA Cc1cc(C)n([C@@H](C)Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)n1 65371018 XLXNDEBASIQJCU-SFHVURJKSA-N 372.472 4.997 0 50 FJAA Cc1cc(=O)[nH]c2cc(NC(=O)N3CCCCC[C@H]3c3ccco3)ccc12 97425286 JBOHXFXBPRGCJI-SFHVURJKSA-N 365.433 4.579 0 50 FJAA COCCCC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 220621408 ZYKOIKAQPRDLCF-UHFFFAOYSA-N 355.453 4.772 0 50 FJAA CC[C@H](C)C(=O)OC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 252669061 GJJKYTBLENQIRA-LXZKKBNFSA-N 357.416 4.678 0 50 FJAA CC1(C)C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 253598160 WAFJRNODYIQPFV-XLVYAEMGSA-N 358.522 4.898 0 50 FJAA Cc1ccc(CN(CCC2=CCCCC2)C(=O)NCc2ccon2)cc1 426421148 LTABUGBERTWPIB-UHFFFAOYSA-N 353.466 4.585 0 50 FJAA CSc1ccc2c(C)cc(NCc3csc(N4CCCC4)n3)nc2c1 1704345282 VZNXLAWELBABJF-UHFFFAOYSA-N 370.547 4.934 0 50 FJAA C[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccs1 1875260745 UGEHSNYJGQNZSF-GFCCVEGCSA-N 354.450 4.846 0 50 FJAA CN1Cc2ccccc2[C@H]1CNCc1cc(Br)ccc1C1CC1 1875344159 GIZJCRBRBXOOJB-HXUWFJFHSA-N 371.322 4.603 0 50 FJAA O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1cc(Cl)ccc1F 2325871672 UPYQTCSVPRXUHP-FQEVSTJZSA-N 368.839 4.934 0 50 FJAA O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccc(F)cc1 942342 RULSCQAMBUHBOW-UHFFFAOYSA-N 358.463 4.684 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1 1158171 HUTITASUSVCAME-UHFFFAOYSA-N 358.397 4.685 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 1184039 LYBBBTXASDTIDA-UHFFFAOYSA-N 370.861 4.835 0 50 FJAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c(C)c1 2300913 LZJRMQCSUBNMRH-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA COc1ccc(OCCC(=O)Nc2nc(C3CCCCC3)cs2)cc1 2850298 BJHZWWMRCRVRRI-UHFFFAOYSA-N 360.479 4.607 0 50 FJAA CCOc1ccccc1NC(=S)NCc1ccc(Cl)cc1Cl 2859039 MTAAMAPTBYMNHN-UHFFFAOYSA-N 355.290 4.879 0 50 FJAA COC[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 12000730 LVXFIPBFRIGEDK-GOSISDBHSA-N 367.537 4.603 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1 13733884 BPZBEIHSHWNWTE-WOJBJXKFSA-N 364.533 4.588 0 50 FJAA in-vivo COc1ccc([C@@H](CC(=O)N(C)Cc2ncccc2C)c2ccccc2)cc1 19229061 DSUOUCXCLJMWKU-QFIPXVFZSA-N 374.484 4.579 0 50 FJAA FC(F)(F)c1cc(-c2ccc3c(c2)OCCO3)nc2onc(C3CC3)c12 20605402 UBFGDNBENWLBET-UHFFFAOYSA-N 362.307 4.557 0 50 FJAA Cc1nn(C)c(Cl)c1-c1c(-c2ccccc2)ncn1Cc1ccoc1 65375593 VOMDOPSAYZSYMU-UHFFFAOYSA-N 352.825 4.554 0 50 FJAA OC[C@H](COCc1ccccc1)n1cnc(-c2ccccc2)c1-c1ccco1 65461283 BOVKCJHPSLLBMA-HXUWFJFHSA-N 374.440 4.560 0 50 FJAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)nn1 72446785 ABCYZWONERSCKX-UHFFFAOYSA-N 373.334 4.848 0 50 FJAA CCOc1ccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 101665129 VSTUIVZSQLCSLN-KLHDSHLOSA-N 368.304 4.880 0 50 FJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2c(Cl)cccc12 215696606 BVBPOCPVGHDXQI-SFHVURJKSA-N 353.853 4.815 0 50 FJAA COc1cc(C)c(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C 239339019 LPDWVKCSVCIFOF-FYYLOGMGSA-N 356.554 4.541 0 50 FJAA COc1cc(-c2onc(NCC3(C)CCCCC3)c2C(=O)O)ccc1F 1704337531 VVZCCHIPTULVHJ-UHFFFAOYSA-N 362.401 4.570 0 50 FJAA COC(=O)c1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 647369 QEZVPGYBHBCPDO-UHFFFAOYSA-N 363.797 4.733 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 848325 QHEPDPVUYIZRJC-FMIVXFBMSA-N 364.470 4.703 0 50 FJAA C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl 2760942 BYRFWCKQJACCDW-JTQLQIEISA-N 358.652 4.731 0 50 FJAA CCCNCc1cc(OC)c(OCc2ccccc2)cc1Br 2882208 WKBOJNOIWJKTEM-UHFFFAOYSA-N 364.283 4.536 0 50 FJAA COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC 3339624 VLUCRXYNBITDJH-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA Cc1ccccc1-n1c(/C=C/c2ccccc2O)nc2ccccc2c1=O 4419885 OQPCHTYDTBYEIE-CCEZHUSRSA-N 354.409 4.570 0 50 FJAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 4503161 MBSZQOGOVMXQJX-ZWKOTPCHSA-N 363.413 4.972 0 50 FJAA O=S(=O)(Cc1ccccc1Cl)Nc1c(Cl)cccc1Cl 6668197 LCHZSYHYNBVRIV-UHFFFAOYSA-N 350.654 4.589 0 50 FJAA Cn1ccnc1CN1CC[C@@H](c2ccnc(-c3csc4ccccc34)c2)C1 65453062 NVGVWCCCMQWSOQ-QGZVFWFLSA-N 374.513 4.686 0 50 FJAA COc1cc(-c2cccc([C@@H](C)N3CCCC3)c2)cc2cc(C(=O)O)oc12 67947223 ZXVVDPWXJBLEDM-CQSZACIVSA-N 365.429 4.963 0 50 FJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 72149093 TXXBEUIZQHCRQM-OAQYLSRUSA-N 371.484 4.774 0 50 FJAA COCCN(Cc1ccc(F)cc1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91829289 OUFQUNRMLQSPFD-UHFFFAOYSA-N 368.452 4.521 0 50 FJAA CCOc1ccc2cc(C(=O)N3CC[C@H](C(F)(F)F)C(C)(C)C3)[nH]c2c1 190728850 BLDWGFSEBDKHPY-INIZCTEOSA-N 368.399 4.617 0 50 FJAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@@H](C(F)(F)F)C1 192733328 ZOGGCNNQDQGDDW-CYBMUJFWSA-N 369.412 4.540 0 50 FJAA CCOC1CCN(C(=O)c2ccc(-c3cccc(OC(C)C)c3)cc2)CC1 426494445 WADAZYORCCDCNC-UHFFFAOYSA-N 367.489 4.782 0 50 FJAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1ccc(-c2cc[nH]n2)cc1 1506407854 KHMGSXZPMACGTE-HSZRJFAPSA-N 359.473 4.517 0 50 FJAA Cc1c(O)ccc(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c1C 1875342343 LZLJTYBLKWAHJD-JOCHJYFZSA-N 357.453 4.949 0 50 FJAA CCC(CC)n1nc(COC(C)C)nc1-c1cc2oc(Cl)cc2[nH]1 1875348677 YSNFCKBNCFDOMQ-UHFFFAOYSA-N 350.850 4.959 0 50 FJAA CCOc1cccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)c1 999920 ORPBEHOFRIJTDH-UHFFFAOYSA-N 359.385 4.541 0 50 FJAA COC(=O)c1c(NC(=O)C2CCC2)sc(C)c1-c1cccc(Cl)c1 1000987 PRNRNFOLEFBXJJ-UHFFFAOYSA-N 363.866 4.902 0 50 FJAA CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 1192103 FLZFZUSURGOGRY-UHFFFAOYSA-N 361.397 4.908 0 50 FJAA Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 1751084 INHQTLFDJZVATE-DHZHZOJOSA-N 352.434 4.833 0 50 FJAA CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)C(C)(C)C)c1ccccc12 2280018 HXDQZSVOMSLAGV-UHFFFAOYSA-N 367.445 4.768 0 50 FJAA COc1ccc(CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1Cl 4542042 HLZREEBSJOSEAL-UHFFFAOYSA-N 368.260 4.890 0 50 FJAA CN(Cc1cccc2ccccc12)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 12040407 YMUXVLFNPZVTMQ-QHCPKHFHSA-N 372.512 4.853 0 50 FJAA Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1cccc(Cl)c1)C2 12160071 HYCCGAOANBJPGM-UHFFFAOYSA-N 366.848 4.502 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(Cl)cc3)n2)cc1 13330864 VVNMFSWRRMGCAU-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 14257065 HRWLCFHZQHJKET-GFCCVEGCSA-N 353.871 4.663 0 50 FJAA Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cc1 21790850 DEGXXADPRHDJSS-LJQANCHMSA-N 350.393 4.766 0 50 FJAA Cc1n[nH]c([C@H](C)n2cnc(-c3ccccc3)c2-c2ccc3occc3c2)n1 67713006 BEKXPEPXINDILR-AWEZNQCLSA-N 369.428 4.999 0 50 FJAA CSc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1 217723480 KVSVLZDGLCQSLP-HNNXBMFYSA-N 368.454 4.593 0 50 FJAA biogenic Cc1nc([C@@H](C)NC(=O)N(Cc2ccncc2)C2CCCCC2)c(C)s1 426658206 JTLUJVGTYOWDHE-CQSZACIVSA-N 372.538 4.760 0 50 FJAA O=C(N=c1cc[nH]cc1)c1c(F)cccc1Sc1ccc(Cl)cc1 462485791 ZKPNHUHXXZRRQG-UHFFFAOYSA-N 358.825 4.700 0 50 FJAA ClC(Cl)(Cl)c1nc(-c2cccnc2Oc2ccccc2)no1 526056014 XJLYEWYPIRPREY-UHFFFAOYSA-N 356.596 4.751 0 50 FJAA CC(=O)c1ccc(C(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)s1 952978321 BQYHRVBWFXCWLX-UHFFFAOYSA-N 370.474 4.640 0 50 FJAA Cc1cccc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)c1C 952990067 KDOJMTOUPCPIIX-UHFFFAOYSA-N 350.506 4.562 0 50 FJAA Cc1ccc(S(=O)(=O)c2nc(C)sc2N[C@H](C)c2ccccc2)cc1 1857800232 QUMUYTQLONYSTR-CQSZACIVSA-N 372.515 4.766 0 50 FJAA Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1Oc1ccc(Cl)cc1 2325864322 MGHSZKKIVRSAEV-FGTMMUONSA-N 357.837 4.947 0 50 FJAA CC[C@H]1CCc2nc3sc(C(=O)c4cccc(OC)c4)c(N)c3cc2C1 662000 PRPWBCLGKXLFKU-LBPRGKRZSA-N 366.486 4.633 0 50 FJAA CCOc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CCCCC3)cc1 1081672 JQOTWSODKIDZCF-UHFFFAOYSA-N 372.490 4.626 0 50 FJAA O=S(=O)(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1 1135576 LYVOBWYPEITUAG-UHFFFAOYSA-N 361.825 4.947 0 50 FJAA O=C(COc1cccc2ccccc12)Nc1ccc(Br)cc1F 1182342 DGUOKJIODXGWEA-UHFFFAOYSA-N 374.209 4.759 0 50 FJAA COc1ccc(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)cn1 2755493 BQJVSCGKBZIQFD-UHFFFAOYSA-N 368.820 4.575 0 50 FJAA Cc1ccc(O)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2834138 TUUWGIOLBSQJHC-UHFFFAOYSA-N 354.233 4.805 0 50 FJAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)s1 11934770 RJFNBYZQWYLTJQ-GOSISDBHSA-N 370.518 4.791 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 20616103 GXUJGZXJFYMQSX-CQSZACIVSA-N 361.470 4.886 0 50 FJAA CCN(C(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccccc1 20616329 LRNIUFSNODACIJ-UHFFFAOYSA-N 350.418 4.537 0 50 FJAA CCOc1ccc(CN(C(=O)c2ccc([C@@H]3CCCO3)s2)C2CC2)cc1 55360284 FZTIHUQBRYXLHC-SFHVURJKSA-N 371.502 4.803 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1C 101895817 AGABDVAOEBUVHP-IWMITWMQSA-N 361.441 4.797 0 50 FJAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]21 239310142 IFQFHZGZUDQILT-VMDGZTHMSA-N 367.832 4.834 0 50 FJAA C[C@@H]1CCC(=O)N[C@@H]2C(=O)[C@@]3(C)[C@H]1CC[C@@H]3[C@H]1CC[C@H]3CCCC[C@]3(C)[C@H]21 254371836 DVKKOXLBDFKRNO-BLKRBIEBSA-N 371.565 4.739 0 50 FJAA O=C(Nc1ccc2ncsc2c1)c1cc(C2CC2)nn1-c1ccccc1 478728883 RLPDMYFJPBJYDR-UHFFFAOYSA-N 360.442 4.612 0 50 FJAA CCCCOc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1Cl 1875302232 GGRKDSNWNZAGIK-CQSZACIVSA-N 367.898 4.558 0 50 FJAA CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc3ccoc3c2)c1 2325736042 RTSOIHYBILBXTA-UHFFFAOYSA-N 366.461 4.747 0 50 FJAA Cc1cc2nc(NC(=O)c3ccc(Br)s3)sc2cc1C 655275 AQQUFQAEBXYUEG-UHFFFAOYSA-N 367.293 4.989 0 50 FJAA Cc1nc(SCC(=O)c2ccc(F)cc2)c2c3c(sc2n1)CCC3 947665 JBWISKULZKIDCO-UHFFFAOYSA-N 358.463 4.603 0 50 FJAA COc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1 975702 JOMVZNNWFRXFAA-UHFFFAOYSA-N 365.410 4.601 0 50 FJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1cccc(Cl)c1 996648 SZBWUWNCTPJIKB-LLVKDONJSA-N 372.679 4.773 0 50 FJAA O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1F 1124501 ODEOTECUCJDBNM-UHFFFAOYSA-N 374.209 4.759 0 50 FJAA CC(=O)Oc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 3898225 YEASCLFTFSBMLB-QHCPKHFHSA-N 356.425 4.968 0 50 FJAA Cc1nc2c(c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2C)c(C)c1Cl 12444812 PCILFAQANTZJKV-UHFFFAOYSA-N 370.884 4.788 0 50 FJAA Cc1ccccc1OCC(=O)N(Cc1ccccc1Cl)c1ccccn1 28290859 JHLMYTLFHTXDFY-UHFFFAOYSA-N 366.848 4.656 0 50 FJAA Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)c1 35561793 YAXKMVMZRWVQLO-SFHVURJKSA-N 352.434 4.873 0 50 FJAA COc1cc(C)c(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1C 39769826 LPDWVKCSVCIFOF-GGAORHGYSA-N 356.554 4.541 0 50 FJAA c1ccc(-c2ncn(Cc3cccc4[nH]ccc34)c2CCn2cccn2)cc1 67673446 AVHDOPADRCXVCO-UHFFFAOYSA-N 367.456 4.519 0 50 FJAA FC(F)(F)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cn1 72411369 GTRCUGBGPKSYRI-UHFFFAOYSA-N 369.350 4.651 0 50 FJAA Cc1nc(-c2cc([C@H](C)N[C@H](C)c3nnc4n3CCCC4)cs2)cs1 130961615 GGZSAJUIUKGONC-NWDGAFQWSA-N 373.551 4.520 0 50 FJAA C[C@@H](CCC(=O)N[C@H](c1cccs1)C(C)(C)C)NC(=O)OC(C)(C)C 170614740 NEBVQHAVOIBDKW-XJKSGUPXSA-N 368.543 4.645 0 50 FJAA O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl 170635772 ISZJDLKIEWEXHY-GJZGRUSLSA-N 367.811 4.678 0 50 FJAA CCOC[C@H]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 175546038 DTBDPNLWVLOLEF-JTQLQIEISA-N 358.290 4.707 0 50 FJAA Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H]2c2ccsc2)no1 252452388 GJOKYRRGIYUDSV-PKOBYXMFSA-N 367.474 4.561 0 50 FJAA Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccsc2Cl)CC1 280723626 DBQALCWCTLLJTO-UHFFFAOYSA-N 374.897 4.929 0 50 FJAA Fc1cc(Cl)cnc1N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 466829688 XQXSMUMBTDCZKT-CQSZACIVSA-N 351.212 4.745 0 50 FJAA Cc1cc(C)cc(OCCCN2CCCC[C@H]2Cc2ccc(O)cc2)c1 1875344129 FHRXZLRHGQUUBM-NRFANRHFSA-N 353.506 4.875 0 50 FJAA COc1ccc(/C=C(/C(=O)Nc2ccccc2OC)c2ccccc2)cc1 1137230 QDNSMBWTUWAWOE-CAPFRKAQSA-N 359.425 4.883 0 50 FJAA CCCC(=O)N(CCN(C(=O)CCC)c1ccccc1)c1ccccc1 2132524 YBTOTANWMQCURV-UHFFFAOYSA-N 352.478 4.653 0 50 FJAA c1ccc(COC[C@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)O2)cc1 2380583 WSUZUZKCMDWXQS-RPWUZVMVSA-N 359.469 4.803 0 50 FJAA CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccco1 2448134 HQJKDADXGCTUEV-UHFFFAOYSA-N 364.268 4.613 0 50 FJAA COC(=O)c1c(SC)nc2ccccc2c1OCc1ccc(Cl)cc1 6915594 ZPYLMMUNEWQFMJ-UHFFFAOYSA-N 373.861 4.976 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccccc2SC)s1 6940910 GSNMEZVYOWSANF-UHFFFAOYSA-N 366.533 4.628 0 50 FJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)N(CC)CC 8801770 LUHHSDDWZHYGPI-UHFFFAOYSA-N 362.520 4.630 0 50 FJAA CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c(O)cc1OC 9135751 JJEVUPPZLBGACW-UHFFFAOYSA-N 365.458 4.938 0 50 FJAA Cc1sc(NC(=O)c2sc3ncccc3c2N)nc1-c1ccccc1 10010207 ZXNINUARONIXRZ-UHFFFAOYSA-N 366.471 4.563 0 50 FJAA Cc1csc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)n1 12000151 WUVFYNAXILIWQF-CYBMUJFWSA-N 357.504 4.736 0 50 FJAA CC(C)c1nccc(-c2c(-c3ccccc3)ncn2[C@H](C)Cn2cccn2)n1 65381251 YEDMWKVADQMABP-QGZVFWFLSA-N 372.476 4.588 0 50 FJAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1c(F)cc(Cl)c(C)c1F 408101408 MAXXARWKFKTVJS-ZDUSSCGKSA-N 368.815 4.636 0 50 FJAA CN(C)c1ccc(Cl)cc1NC(=O)c1ccc([C@H]2CCCO2)s1 952980612 RGMMYEDILJIQDT-CQSZACIVSA-N 350.871 4.571 0 50 FJAA C[C@@H](NC(=O)c1cnc2onc(C3CC3)c2c1)c1cccc2ccccc12 2325710385 LQUAGEYCQDANCH-CYBMUJFWSA-N 357.413 4.744 0 50 FJAA N[C@H]1CCCc2cc(-c3nc(Cc4c(Cl)cccc4Cl)no3)ccc21 2325821954 PHJKEHWUKOGZNS-KRWDZBQOSA-N 374.271 4.970 0 50 FJAA Cc1cc(OCC(=O)Nc2ccccc2Cl)cc(C)c1Br 1159634 MXBOVNDSXVAHIC-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cn1c(Cc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1785674 PGYAEHHHKZDNSE-UHFFFAOYSA-N 370.496 4.796 0 50 FJAA biogenic Cc1ccc(OCCOc2ccc(C(=O)NC3CCCCC3)cc2)cc1 1791652 AHPCIOXJAJLJLT-UHFFFAOYSA-N 353.462 4.515 0 50 FJAA CCCc1ccc(OCCNC(=O)CCCc2c[nH]c3ccccc23)cc1 2170533 RMVRYMTUKADDFI-UHFFFAOYSA-N 364.489 4.638 0 50 FJAA CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 2938688 VQQRJHSAKQXXNF-UHFFFAOYSA-N 374.440 4.980 0 50 FJAA Cn1cc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c2ccccc21 3135686 JVAZAHINMGGOFA-SFHVURJKSA-N 363.457 4.917 0 50 FJAA O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCc2ccccc2C1 4881158 JYDQKSIUUYJHLM-UHFFFAOYSA-N 373.239 4.847 0 50 FJAA CCCN1CCC(NC(=O)C[C@@H](c2ccccc2)c2ccccc2C)CC1 11709015 ZNSZGXVSFYCRJU-QHCPKHFHSA-N 364.533 4.508 0 50 FJAA CNC(=O)c1cccc(Cn2cnc(-c3ccccc3)c2C2CCCC2)c1 65530990 XYGFIRQLFHHWKT-UHFFFAOYSA-N 359.473 4.616 0 50 FJAA Cc1nc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)co1 71439984 TZFQPTDWSHHMNU-HNNXBMFYSA-N 352.400 4.847 0 50 FJAA Cc1ccc(C)n1CCC(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 334160474 FNEZCHBBYPWBDN-GOSISDBHSA-N 369.896 4.824 0 50 FJAA CCCN(Cc1ccsc1)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 426580985 QEGGAEFMYPFZGM-UHFFFAOYSA-N 371.506 4.627 0 50 FJAA CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2Cl)C1 464772948 JUNCLLZLBHYPGL-CHWSQXEVSA-N 361.338 4.538 0 50 FJAA Cc1cccc(Cn2nc(C3(c4ccccc4)CC3)nc2[C@@H]2CCCO2)c1 670448684 WONGMMCYYASIIH-FQEVSTJZSA-N 359.473 4.566 0 50 FJAA CN(Cc1cccc(OCc2c(F)cccc2Cl)c1)C[C@@H]1CCOC1 823709384 NQLSVTOHMMIQHR-INIZCTEOSA-N 363.860 4.526 0 50 FJAA COc1ccc2ccnc([C@@H](C)NC(=O)c3cc(Cl)ccc3C)c2c1 2325842871 LMXRAHOKFJPUPX-CYBMUJFWSA-N 354.837 4.696 0 50 FJAA CC(C)C(=O)Nc1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)cn1 2356134555 RZIHLBDUGSHOEU-UHFFFAOYSA-N 368.387 4.760 0 50 FJAA Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 670966 LXXAPBTZYSGTEB-UHFFFAOYSA-N 365.260 4.968 0 50 FJAA COc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccc(C)cc2O)cc1 985731 AEKPQFPNCXYSEN-NRFANRHFSA-N 361.441 4.870 0 50 FJAA Cc1cc(C)c2c(NC(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]c2n1 1089553 IMNKRSBDOJSAQM-UHFFFAOYSA-N 350.209 4.526 0 50 FJAA CCCCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1OC 2294134 SVPULPHMBOWKAV-KRWDZBQOSA-N 355.478 4.625 0 50 FJAA CCOC(=O)NC(Nc1ccc(C(C)C)cc1)(C(F)(F)F)C(F)(F)F 2937633 HPNLUVRMXMKZSQ-UHFFFAOYSA-N 372.309 4.789 0 50 FJAA CC(=O)Oc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3084340 KIUFLKMPGBDHGS-UHFFFAOYSA-N 367.408 4.798 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1F 4037398 CLZGJTSYKGACIT-UHFFFAOYSA-N 369.417 4.983 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)c2ccc(-c3ccccc3)n2C)c(C)s1 95382663 FOJWLRICJWDBKK-ZDUSSCGKSA-N 353.491 4.599 0 50 FJAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)cc1Cl 141643046 YIFKVQREBRTGFQ-FVCZOJIISA-N 367.876 4.831 0 50 FJAA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1cccc2cc(C)oc12 952969891 DGSARVWOFCLUJR-AWEZNQCLSA-N 355.409 4.558 0 50 FJAA O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)cc1 626806 DATNIOLUNNAUBF-UHFFFAOYSA-N 356.672 4.833 0 50 FJAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C)C2 837689 FWWBUQYMSQEFPG-SNVBAGLBSA-N 362.882 4.737 0 50 FJAA O=C(Nc1nnc(-c2ccncc2)s1)c1sc2ccccc2c1Cl 1056202 JGOBNELVFILAAV-UHFFFAOYSA-N 372.862 4.721 0 50 FJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(F)c(F)c1 1179223 XRLAYAPTAQWRHJ-UHFFFAOYSA-N 366.726 4.973 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1noc2c1CCCCC2 2498137 GOQXUFJFWRFSCJ-UHFFFAOYSA-N 358.747 4.868 0 50 FJAA C[C@H]1CCC[C@H](N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 2735245 SFOSMKKSCGZSAJ-CVDCTZTESA-N 362.517 4.690 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1OC 2820416 NEHDWVGGDJIWKR-UHFFFAOYSA-N 354.450 4.693 0 50 FJAA CCOc1ccc(OCCCOc2ccc(Br)cc2)cc1 2991001 XGFULLLTAICXNF-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA COc1ccc(OC)c(Nc2nc(-c3ccccc3O)nc3ccccc23)c1 13124866 NDVOPZYCBHNEDI-UHFFFAOYSA-N 373.412 4.763 0 50 FJAA CC[C@H](NC(=O)c1cc(C)nc2onc(C)c12)C12CC3CC(CC(C3)C1)C2 13641927 JPTHYPXUOTXSSP-CONPEVPGSA-N 367.493 4.564 0 50 FJAA CCC[C@](O)(c1ccc(O)cc1)[C@@H](CN1CCCCC1)c1ccccc1 16490197 PHQMTFDPHUMHIK-GOTSBHOMSA-N 353.506 4.650 0 50 FJAA CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 16661433 VPNFMDKUILVWPM-LJQANCHMSA-N 350.462 4.652 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2Cl)cc1 100744974 TZFHBGLWXOGWNA-IRXDYDNUSA-N 367.832 4.896 0 50 FJAA CCOc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1 239433440 XRYYEEDZIFKBOB-GGAORHGYSA-N 371.440 4.723 0 50 FJAA 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 253501631 QXKRUGDXPWHXHL-BWZRJFSYSA-N 374.521 4.813 0 50 FJAA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1cccc2cc(C)oc12 952969919 DGSARVWOFCLUJR-CQSZACIVSA-N 355.409 4.558 0 50 FJAA Cc1ccc2c(C)cc(N3CCC([C@@H](O)c4ccccn4)CC3)nc2c1C 1529105482 CHQNOUUBPHUWTB-HSZRJFAPSA-N 361.489 4.505 0 50 FJAA CC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 848999 HVPCOUPUIVQTNX-UHFFFAOYSA-N 364.401 4.571 0 50 FJAA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1 1092940 IZZPHOXBZKZTCS-UHFFFAOYSA-N 373.437 4.622 0 50 FJAA COc1ccc2nc(Sc3nc4ccccc4s3)c(C=O)cc2c1 1156295 WWRCNQUXTMSVJA-UHFFFAOYSA-N 352.440 4.817 0 50 FJAA O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1C(F)(F)F 1168373 MCYARTQNNYWUJP-ZROIWOOFSA-N 351.711 4.703 0 50 FJAA NC1=N[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 1272998 PHFAMCRUQQSHQC-CTNGQTDRSA-N 358.466 4.708 0 50 FJAA OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@H]1CCCN1 2562276 LNUDNNFEXRHHGY-XMMPIXPASA-N 353.465 4.981 0 50 FJAA Cc1c(C2c3ccccc3Oc3ccccc32)c(=O)n(-c2ccccc2)n1C 3902405 LEOXQGXJNASPOX-UHFFFAOYSA-N 368.436 4.770 0 50 FJAA O=C(c1cn(Cc2cccc(C(F)(F)F)c2)c2ncccc12)C(F)(F)F 4050342 RQFLRPGSBYJVAZ-UHFFFAOYSA-N 372.268 4.848 0 50 FJAA Cc1cc(OCc2c(F)cccc2Cl)c2c3c(c(=O)oc2c1)CCC3 4815258 ZDNLIINJTDNWBR-UHFFFAOYSA-N 358.796 4.962 0 50 FJAA CC(C)N(C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl)C(C)C 4819287 KGZUHHYGUUKOAA-GFCCVEGCSA-N 354.705 4.505 0 50 FJAA c1ccc(C(C[C@H]2CN(Cc3nccs3)CCO2)c2ccccc2)cc1 20212155 CXAOYRVDBWZKRI-FQEVSTJZSA-N 364.514 4.566 0 50 FJAA CCC(=O)N(c1ccccc1)C1CCN(C[C@H](C)c2ccccc2)CC1 33948626 UXIGUKSHASXDNI-IBGZPJMESA-N 350.506 4.698 0 50 FJAA in-man CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1 64985074 AEUVPHLJMUXZKG-OAHLLOKOSA-N 351.809 4.960 0 50 FJAA C[C@@H](c1nncn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65370415 QRHSGFMNPJBROD-HNNXBMFYSA-N 369.428 4.701 0 50 FJAA CC[C@H](c1ccncc1)n1ccnc1-c1cnc(-c2ccccc2C)nc1 71761047 CNIOBMFTHFUKOV-HXUWFJFHSA-N 355.445 4.710 0 50 FJAA CCn1nc(CC(C)C)cc1C(=O)N(C)Cc1ccc(Cl)cc1Cl 91416857 MYPRMATVAMAPMY-UHFFFAOYSA-N 368.308 4.681 0 50 FJAA CCc1c(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)[nH]c(C)c1C(C)=O 170634373 VIOIOVNYPOXNJD-QGZVFWFLSA-N 356.466 4.747 0 50 FJAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(C(F)(F)F)CC1 173471515 WBGUCOLLLAUCEB-UHFFFAOYSA-N 354.397 4.533 0 50 FJAA CC1=CCC[C@](C)(O)C=C[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 254091654 AVRRAMZPNSQDIW-ONTIZHBOSA-N 358.478 4.627 0 50 FJAA O=C1C[C@@H](c2cccc(O)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585674 LGRRFQOZDRTGEV-IBGZPJMESA-N 368.436 4.869 0 50 FJAA biogenic CC[C@H](NC(=O)N(Cc1ccccc1C)C1CCCCC1)c1cnn(C)c1 426432131 XCHFKSWCCKQRJX-NRFANRHFSA-N 368.525 4.724 0 50 FJAA CCCN(Cc1ccccn1)C(=O)c1cccc(-c2ccc([C@@H](C)O)cc2)c1 426549057 FPPKMPBAVILEGM-GOSISDBHSA-N 374.484 4.854 0 50 FJAA Oc1nc(N[C@H](c2ccccc2)[C@H]2C[C@@H]2c2ccccc2)ncc1Cl 1875337334 RKMPLYBRFHLQDR-SOLBZPMBSA-N 351.837 4.793 0 50 FJAA C[C@H]1Cc2ccc(F)cc2[C@H]1NC(=O)c1ccc(-c2ccccc2CN)cc1 2325829600 NTADPHPPPJXFSX-WNSKOXEYSA-N 374.459 4.615 0 50 FJAA CC1(C)[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@@]1(C)C(=O)O 705230 ULXQSQPKEUJAQQ-AVRDEDQJSA-N 366.461 4.896 0 50 FJAA Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 844110 LFXPIIKOFKHLAO-UHFFFAOYSA-N 364.276 4.656 0 50 FJAA Cc1ccc(C(=O)[C@@H](OC(=O)COc2ccccc2C)c2ccccc2)cc1 1164948 QHMMWOZHZQJXNV-DEOSSOPVSA-N 374.436 4.850 0 50 FJAA aggregator O=C(Nc1ccccc1)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 1233923 BFWJCNIFRZMZRO-ZDUSSCGKSA-N 358.656 4.617 0 50 FJAA CCNCCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1849671 BUEMVSKYODJMFI-UHFFFAOYSA-N 366.408 4.834 0 50 FJAA COc1cccc(OCCCOc2c(C)cc(Br)cc2C)c1 2986957 UVKYIYLKKOCGBV-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA CCCC[C@H](CC)Cn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 3169432 FWFRCBGFMVREKW-AWEZNQCLSA-N 368.481 4.560 0 50 FJAA CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 4113411 MBVRTSVEHPWGBG-UHFFFAOYSA-N 365.429 4.533 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 5027381 OAANEHRKHAUBMB-UHFFFAOYSA-N 370.861 4.835 0 50 FJAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 12457688 IXPZRYIYTKXYMI-CQSZACIVSA-N 360.816 4.606 0 50 FJAA Cc1ccccc1-c1cccc([C@@H]2CC(=O)NCc3nc4sccn4c32)c1 65459139 VJERHDKSZJZSGM-SFHVURJKSA-N 373.481 4.523 0 50 FJAA c1ccc(-c2ncn(CCc3c[nH]c4ccccc34)c2[C@H]2CCOC2)cc1 67473346 WELYISUTOKNSAR-IBGZPJMESA-N 357.457 4.778 0 50 FJAA CCc1nc(C)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 77356454 GSEOQBUWUTYKBR-CQSZACIVSA-N 357.504 4.601 0 50 FJAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 91644887 IZDPUTLSGXDQAR-SFHVURJKSA-N 365.477 4.604 0 50 FJAA 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@@]21C 118915872 KHEZIAQMLFFOSK-PWKGXFITSA-N 358.522 4.942 0 50 FJAA Cc1ccc(Br)c(C(=O)Nc2nc(-c3ccco3)cs2)c1 153517822 OBOCOYWUHYUKRA-UHFFFAOYSA-N 363.236 4.726 0 50 FJAA Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)cc12 1445629900 MTCUFHQDEILVMR-UHFFFAOYSA-N 370.334 4.536 0 50 FJAA Cc1ccc(NCc2cccc(OCCn3ccnc3)c2)cc1OC(C)C 2325743956 GCPHRLUGYKJSLO-UHFFFAOYSA-N 365.477 4.670 0 50 FJAA CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 642574 PQKBPHSEKWERTG-LLVKDONJSA-N 361.781 4.604 0 50 FJAA biogenic,investigational CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2OC)s1 1300467 WUQHXAFGDGQHNH-CQSZACIVSA-N 368.462 4.733 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 2669378 NGYKGFSODHXRKP-UHFFFAOYSA-N 357.475 4.836 0 50 FJAA COc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl 4542183 UOYYHRKVVRAQOQ-UHFFFAOYSA-N 357.759 4.939 0 50 FJAA Cc1cc(C)c(CN2CCC(CO)(CCOc3ccccc3)CC2)cc1C 11843100 VNTNPCOBOYPBLS-UHFFFAOYSA-N 367.533 4.655 0 50 FJAA c1cncc(CN(Cc2cccs2)CC2CCN(C3CCCC3)CC2)c1 12308678 MTNAOIFLJZNSMM-UHFFFAOYSA-N 369.578 4.800 0 50 FJAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1cccc(Cl)c1 13331317 WTIRRCALKJZAIV-UHFFFAOYSA-N 372.831 4.985 0 50 FJAA O=c1c2sc(-c3ccccc3)cc2nc2n1-c1cc(Cl)ccc1OC2 45068557 IDFQGTCSMOTDFT-UHFFFAOYSA-N 366.829 4.660 0 50 FJAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(-c3ccccc3)c2)C1 91547507 SWCNEWKHFIZEQB-OAQYLSRUSA-N 359.473 4.590 0 50 FJAA Cc1c(CN(C)C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)[nH]c2ccccc12 91998101 CNPJTTMKTFZINA-HSZRJFAPSA-N 364.464 4.942 0 50 FJAA CSC[C@@H]1CCCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 95510138 CEMFMFVGVGBOER-LLVKDONJSA-N 364.458 4.905 0 50 FJAA O=C(OCC1c2ccccc2-c2ccccc21)N1CCNc2ccccc21 225502451 CRNBLSLIYIFDMX-UHFFFAOYSA-N 356.425 4.868 0 50 FJAA C[C@H](N[C@@H]1CC[C@@H](C)C1)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 239358439 NIBCJWVKZSSXQR-PHROYONVSA-N 371.996 6.345 0 50 FJAA Cc1ccc([C@H](CC(F)(F)F)NC(=O)c2cnc(O)c3ccccc23)cc1 253536937 RGFJDMGKJXTGCJ-KRWDZBQOSA-N 374.362 4.672 0 50 FJAA CCOc1ccc(CN2CCC[C@@H](OC)C2)cc1-c1ccc(OC)c(F)c1 2356167638 WQTCFMCKRXMWRR-GOSISDBHSA-N 373.468 4.511 0 50 FJAA COc1ccccc1NC(=O)Oc1cc(C)c(C)cc1Br 640901 KFZIJIXPKVBVHW-UHFFFAOYSA-N 350.212 4.685 0 50 FJAA O=C(c1c(Cl)cccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 841257 SWSQXQAVVXUPAI-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1125477 KTFBNDLLGXFXPT-CQSZACIVSA-N 356.853 4.607 0 50 FJAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 1461201 XBGMHVBJNSTQDA-CQSZACIVSA-N 359.853 4.702 0 50 FJAA CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccncc1 2101587 NJBPEICUHYSUIS-UHFFFAOYSA-N 366.442 4.629 0 50 FJAA CCOc1ccc(OCCCOc2ccccc2Br)cc1 2985765 QBYNGRQGKIHUJH-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1Cl)CC(=O)N2 4488948 RYCOPIMOKIYQMP-GFCCVEGCSA-N 363.816 4.751 0 50 FJAA CCCCOc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)cc1 10156093 KBECYWUBMRHTMQ-LJQANCHMSA-N 369.461 4.676 0 50 FJAA O=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccccc1 25763409 SEZSUXCCZUQKTQ-UHFFFAOYSA-N 351.164 4.683 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCOc2ccc(Cl)cc2C1 55269492 SZUIHJBPCVGJRH-UHFFFAOYSA-N 360.866 4.760 0 50 FJAA COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c(C)c1 72437356 LQZQXKWIQVYFMT-UHFFFAOYSA-N 364.405 4.538 0 50 FJAA CSc1cccc(CN(C)C(=O)c2cc(C)nc3cc(F)ccc23)c1 82108236 QFKLVQOVJDNOQI-UHFFFAOYSA-N 354.450 4.676 0 50 FJAA CCN(C(=O)c1ccc(-c2ccc3ncccc3c2)cc1)C1CCOCC1 426677873 FIAIMRZNOBGDRA-UHFFFAOYSA-N 360.457 4.543 0 50 FJAA O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)c1ccc(Cl)cc1F 825524455 OMZVCXNNUQCWIY-INIZCTEOSA-N 363.816 4.679 0 50 FJAA C[C@H](NC(=O)Nc1ccc(Cn2ccnc2)cc1)c1cc(Cl)ccc1F 1875255112 XGPPIGCVFJSBCM-ZDUSSCGKSA-N 372.831 4.607 0 50 FJAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2ccccc2oc1=O 701859 OGRFCVJGEPFLCK-UHFFFAOYSA-N 357.365 4.838 0 50 FJAA O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 1072950 CKJBHFJHHCHNLC-BQYQJAHWSA-N 368.614 4.929 0 50 FJAA O=C(NCc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 1121605 OVDXYCPRJZMRRT-UHFFFAOYSA-N 364.832 4.522 0 50 FJAA CCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 1891530 IIEXCVAQLRVRHB-UHFFFAOYSA-N 369.461 4.568 0 50 FJAA COc1cccc(OCCOc2ccc(Cl)cc2Br)c1 2984350 NESLPFWLJBDYHL-UHFFFAOYSA-N 357.631 4.569 0 50 FJAA CC(C)[C@@H](OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1 3137673 FTSXVYQZLNPTCM-LJQANCHMSA-N 354.446 4.751 0 50 FJAA biogenic COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1OC 5499947 COEPCGWUYHYVHS-INIZCTEOSA-N 372.852 4.637 0 50 FJAA CCCN1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2cccs2)CC1 12245679 NUHMNYFLLUYWHM-FQEVSTJZSA-N 370.562 4.553 0 50 FJAA COC(=O)c1sccc1Oc1ccccc1NC(=O)c1ccccc1 12950974 WVESDTMIMJQQLY-UHFFFAOYSA-N 353.399 4.579 0 50 FJAA CCc1cc2c(=O)n(CCc3cccc(Cl)c3)c(=S)[nH]c2s1 17072825 MVIHDVVVDLZXSK-UHFFFAOYSA-N 350.896 4.579 0 50 FJAA COCCC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 91320806 OIMDIVDAQBUDPU-KRWDZBQOSA-N 355.453 4.772 0 50 FJAA c1ccc(Cn2cc(N[C@@H]3CCCOc4c3ccc3ccccc43)cn2)nc1 253393739 HBXNPFBDDQCLDH-JOCHJYFZSA-N 370.456 4.805 0 50 FJAA C[C@H](Cn1ccnc1-c1cccc(CC(F)(F)F)c1)Oc1cccnc1 1857707438 SAMGHIWOEWIVQY-CQSZACIVSA-N 361.367 4.517 0 50 FJAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccs1 795715 FCWAJLGERQRVBX-UHFFFAOYSA-N 363.485 4.967 0 50 FJAA Cc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 1070704 XWNPBMKBTWXMRZ-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA COc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)cc(OC)c1 1122646 SHVVXJJBWSZTAX-UHFFFAOYSA-N 361.441 4.865 0 50 FJAA Cc1c(C)n(C(=O)CSC(=S)N2CCC(C)CC2)c2ccccc12 1148710 DBETWAIUHJXSPM-UHFFFAOYSA-N 360.548 4.648 0 50 FJAA CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@H](c1ccccc1)S3 1179976 GTNCEBSPJCHISY-WZONZLPQSA-N 374.509 4.981 0 50 FJAA COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1OC 2764336 IDLNTRYGFVBSRR-UHFFFAOYSA-N 368.458 4.696 0 50 FJAA Cc1ccccc1Cn1cc(NC(=S)Nc2ccc3c(c2)CCC3)cn1 2799173 UFFHPXMWOCVBOI-UHFFFAOYSA-N 362.502 4.537 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl 2871572 JMQWUCIOHZDXAV-UHFFFAOYSA-N 372.896 4.977 0 50 FJAA C[C@H]1C[C@@H](C)CN(CCOCCOc2ccc(Cl)c3ccccc23)C1 4906570 YKVZILBGRZOAET-CALCHBBNSA-N 361.913 4.867 0 50 FJAA Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2ccccc2)C3)cc1 4911798 PQOLGIGZGQYAQW-IBGZPJMESA-N 373.452 4.901 0 50 FJAA Cc1cccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1C 8025530 CMDLKWGNGQUTOM-UHFFFAOYSA-N 366.549 4.559 0 50 FJAA COc1ccccc1CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320533 ROZUTGKNXWBHJH-UHFFFAOYSA-N 358.747 4.689 0 50 FJAA O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)c(Cl)c1 25763131 LKNZOKDZFRMURZ-UHFFFAOYSA-N 351.164 4.683 0 50 FJAA COc1ccccc1-n1nc(-c2sc3ccccc3c2Cl)cc1N 43573947 VBDPNIUSQSWHTC-UHFFFAOYSA-N 355.850 4.998 0 50 FJAA O=C(O[C@H]1CCN(Cc2ccccc2)C1)[C@@H](c1ccccc1)C1CCCC1 71769316 LAUAHIVTDOZZLW-GOTSBHOMSA-N 363.501 4.778 0 50 FJAA C[C@H]1CCCCN1Cc1cccc(NC(=O)NCc2ccc(F)c(F)c2)c1 95520562 WXOWEPUGBPJLNN-HNNXBMFYSA-N 373.447 4.661 0 50 FJAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C1CCCCC1 101665048 OQFDXTVYNVACPP-SLUIBLPYSA-N 367.876 4.831 0 50 FJAA CC(C)(C)c1cc(NC(=O)Nc2cccc(C(C)(C)O)c2)n(C(C)(C)C)n1 225681540 TWCOYOOBNPMRNY-UHFFFAOYSA-N 372.513 4.807 0 50 FJAA C[C@@H]1CC[C@H](N[C@H](C)C23C[C@H]4C[C@@H](CC(c5ccc(Cl)cc5)(C4)C2)C3)C1 239358442 NIBCJWVKZSSXQR-SXSUFRANSA-N 371.996 6.345 0 50 FJAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1oc(C(C)C)nc1C 293052502 FXABZDWUWYGTRI-UHFFFAOYSA-N 353.397 4.868 0 50 FJAA CCc1ccc2c(c1)[C@H](NCc1cnn(-c3ccccc3)c1Cl)CCO2 1875303981 VPBHWZHZMDPYLO-LJQANCHMSA-N 367.880 4.702 0 50 FJAA CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 680961 KSLNNDBPYPVLFU-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1210379 XGLHJYBFSVMWOC-HNNXBMFYSA-N 357.413 4.636 0 50 FJAA O=C(c1cccs1)n1nc(-c2ccco2)nc1SCc1ccccc1 2846281 MXRHYHHUIYFVKZ-UHFFFAOYSA-N 367.455 4.580 0 50 FJAA Cc1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3C)C[C@@H]2C)cc1 2856750 KVWWIQKSEUWZTP-HNNXBMFYSA-N 373.953 4.864 0 50 FJAA COc1ccccc1OCCOCCOc1c(Cl)cc(C)cc1Cl 2986939 OJRBSKZUOQKXGD-UHFFFAOYSA-N 371.260 4.785 0 50 FJAA Cc1ccc(C(=O)N[C@H]2Sc3ccccc3N=C2c2ccccc2)cc1 4187454 WLVIAWFHUWOFNK-QFIPXVFZSA-N 358.466 4.978 0 50 FJAA CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2Cl)CC1 4725502 AMYVUKTZAGQPCX-UHFFFAOYSA-N 370.924 4.601 0 50 FJAA O=C(CSc1nccn1C1CCCC1)Nc1ccc(C(F)(F)F)cc1 8602151 YUISDYJEJBYRBD-UHFFFAOYSA-N 369.412 4.748 0 50 FJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)/C=C/C(C)C)cc1 12433182 SGTVXCKJXUVBOX-SSGOSMAHSA-N 351.494 4.523 0 50 FJAA Cc1ncc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)s1 20540185 ALYIPPHJTCHRSJ-AWEZNQCLSA-N 368.424 4.565 0 50 FJAA Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C 27101553 ZNFMHLDBJPAFEQ-UHFFFAOYSA-N 351.450 4.548 0 50 FJAA in-vitro Cc1cccc2oc(Cn3cnc(-c4ccccc4)c3[C@@H]3CCOC3)nc12 65460148 VEFFJJNGNOXHES-QGZVFWFLSA-N 359.429 4.552 0 50 FJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC[C@@](CO)(CC2CC2)C1 91746661 WTIJPBQSFXKHJJ-HSZRJFAPSA-N 367.464 4.508 0 50 FJAA C[C@H]1CCN(C(=O)c2ccccc2COC2CCOCC2)c2ccccc21 131921800 SDFWOIKWHKYQHM-KRWDZBQOSA-N 365.473 4.536 0 50 FJAA O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@H](c1nccs1)C1CC1 176294651 SDOJVHQALSLNND-AWEZNQCLSA-N 369.412 4.911 0 50 FJAA CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2C[C@@](C)(CC[C@H]21)O3 230017540 XUPOZHDUFRMVTF-GGOJBBCOSA-N 364.441 4.829 0 50 FJAA biogenic c1ccc([C@@H](Nc2ncnc3c2oc2ccccc23)c2cccnc2)cc1 488016350 WVGMJJDMFBLPQF-LJQANCHMSA-N 352.397 4.973 0 50 FJAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cncc(C(C)(C)O)c2)cc1 584893881 RUFKXCKMVVAFOG-OAQYLSRUSA-N 364.489 4.547 0 50 FJAA CSc1cccc(CN(C(=O)Cc2ccc(O)c(Cl)c2)C(C)C)c1 1506407474 SICSZIMYENJMBH-UHFFFAOYSA-N 363.910 4.747 0 50 FJAA O=C(O[C@H]1CCC[C@H]1c1cccnc1)c1ccc2ccc(Cl)cc2n1 2325743037 XPHNZJWRSHWVKX-LPHOPBHVSA-N 352.821 4.776 0 50 FJAA COc1cccc(CNc2ccc(C(=O)O)cc2)c1OCc1ccccc1 679355 YNLGVNVAALQADP-UHFFFAOYSA-N 363.413 4.585 0 50 FJAA Cc1ccc([C@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 729524 OCHGTWOMKYPFEX-FCHUYYIVSA-N 361.416 4.978 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccc(F)cc1)C3 2440868 CBKQMJNERWYSPI-KRWDZBQOSA-N 371.415 4.757 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4616693 VZWRHZPWLPDJSL-JTHBVZDNSA-N 356.425 4.938 0 50 FJAA COc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 4868727 MSCRUXHCIVMYNC-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA CC[C@@H](NC(=O)Nc1sc(C)cc1C(=O)OC)c1ccc(Cl)cc1 13330216 HHLALEVFGVRAQC-CQSZACIVSA-N 366.870 4.769 0 50 FJAA c1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 19359470 YETFRKTWSJIWAJ-UHFFFAOYSA-N 358.485 4.797 0 50 FJAA CCCn1nc(C)c(Cn2cnc(-c3ccccc3)c2-c2c[nH]c(C)n2)c1C 67490624 DEFSXKICNXJHRT-UHFFFAOYSA-N 374.492 4.520 0 50 FJAA Cc1cc(C)cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 67847193 JAUYEFPVGUDUCC-GOSISDBHSA-N 364.272 4.824 0 50 FJAA CCCCn1ccnc1C1CCN(C(=O)c2sc(C(C)C)nc2C)CC1 95508710 DMYFYWXKTVLXRC-UHFFFAOYSA-N 374.554 4.591 0 50 FJAA CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 150133113 AXACJBKFKCCIOR-IAGOWNOFSA-N 357.325 4.718 0 50 FJAA in-vitro Cc1ccc(-c2cccc(C(=O)N(C)Cc3cc(C4CC4)on3)c2)cc1F 299792503 FFDXIFFOHBWKAW-UHFFFAOYSA-N 364.420 4.939 0 50 FJAA COc1ccc2[nH]c(CNCc3ccc(CN4CCCCC4)s3)cc2c1 952972733 VTTPRJOUVCDTKE-UHFFFAOYSA-N 369.534 4.514 0 50 FJAA COc1ccc(-n2cnc3nc4c(c(-c5ccccc5)c32)CCCC4)cc1 751765 ZZKUGIFXIOXGMH-UHFFFAOYSA-N 355.441 4.975 0 50 FJAA CCOc1ccccc1NC(=O)CSc1ccc(Br)cc1 1139988 SJBMESSSACFEGI-UHFFFAOYSA-N 366.280 4.579 0 50 FJAA COc1ccccc1C(=O)Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 1159786 FDXDNZGQDORYTL-UHFFFAOYSA-N 368.385 4.534 0 50 FJAA biogenic Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccs2)c1C 1216999 UECZECAIRLHDBB-UHFFFAOYSA-N 350.443 4.870 0 50 FJAA Cc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccccc2)cc1 1505946 LAXGZZZXFPWVQX-QNGOZBTKSA-N 374.415 4.544 0 50 FJAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2849444 SQLGYKHUSKKWDD-JTQLQIEISA-N 373.758 4.773 0 50 FJAA O=S(=O)(Oc1cccc2ccccc12)c1cc(Cl)ccc1Cl 2954114 FKOIWNDOFDSLHT-UHFFFAOYSA-N 353.226 4.914 0 50 FJAA COc1ccc(CNCC[C@@]2(c3ccccc3)CCO[C@H](C(C)C)C2)cc1 4038367 NJKRITVJGFNMNK-BJKOFHAPSA-N 367.533 4.948 0 50 FJAA biogenic COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 5747608 QFFYDDNNLQRXMX-UHFFFAOYSA-N 374.396 4.770 0 50 FJAA biogenic Nc1ccccc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6701176 DTUQINKATQZOSH-UHFFFAOYSA-N 361.681 4.960 0 50 FJAA CC[C@H](C)NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 12299771 GOGZUVOUQRSDGH-JTQLQIEISA-N 367.396 4.610 0 50 FJAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 12702476 JYPRTEYNYRBMSX-GOSISDBHSA-N 373.928 4.829 0 50 FJAA Cc1ccc(NCN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 16671502 QXLRMJQVNQLTPB-HYZSBJHASA-N 350.443 4.657 0 50 FJAA Cc1cccc2cc(CN(C)Cc3nccn3C)c(-c3cccs3)nc12 72476605 OFMNVEYXUGCFSL-UHFFFAOYSA-N 362.502 4.637 0 50 FJAA CCCC[C@@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 95366703 CITDMGADSGVAON-GOSISDBHSA-N 357.457 4.868 0 50 FJAA COc1cccc(Cl)c1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 172842417 GZKXDTYUXCKLKP-UHFFFAOYSA-N 373.815 4.543 0 50 FJAA Cc1ncc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c(C2CC2)n1 374354127 XOONCGOSUDMJRG-RTBURBONSA-N 360.461 4.515 0 50 FJAA CC(C)CN(Cc1ccncc1)C(=O)c1cccc(-c2ccccc2CO)c1 426397327 CEIJYSUMEGBQKQ-UHFFFAOYSA-N 374.484 4.539 0 50 FJAA Cc1cc(NC(=O)c2c(C)cccc2F)ccc1NC(=O)c1ccco1 952964357 NRRPEYFZHJDTAF-UHFFFAOYSA-N 352.365 4.540 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H](c3ccccc3)[C@H]2C1 1875338641 FKTLRBINRXFDLD-NEWSRXKRSA-N 359.391 4.971 0 50 FJAA COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc1 623673 FRRHXRVATALPFB-UHFFFAOYSA-N 357.413 4.571 0 50 FJAA CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 852985 FIMVXQGJPQPUEP-UHFFFAOYSA-N 366.442 4.651 0 50 FJAA COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC(C)C 1176736 FRVMGDHDHIBKQO-PDGQHHTCSA-N 369.442 4.723 0 50 FJAA CCOC(=O)c1cccc(COC(=O)c2ccc(Cl)c(Cl)c2)c1 2850608 RUYXTEMBTARPRQ-UHFFFAOYSA-N 353.201 4.527 0 50 FJAA Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@H](c2ccccc2)C3)cc1 4911801 PQOLGIGZGQYAQW-LJQANCHMSA-N 373.452 4.901 0 50 FJAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1 10275807 RCORNVHIKDBFNX-OAHLLOKOSA-N 366.244 4.804 0 50 FJAA Cn1cc(CN2CC[C@H](c3ccc(F)cc3F)Sc3ccccc32)cn1 15071381 DWDNDOUPSHGOCG-LJQANCHMSA-N 371.456 4.942 0 50 FJAA CC(C)c1cc(CN2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1 65527438 WBYNRZBJVMMNSP-SFHVURJKSA-N 363.461 4.555 0 50 FJAA Clc1ccc2nc(N3CCC[C@H](c4nccn4CC4CC4)C3)ccc2c1 82083760 LLKJIIGGGWUAHA-KRWDZBQOSA-N 366.896 4.879 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CCc4c(Cl)cccc4C3)oc2c1 91461663 NNYHCIMBJDDDRR-UHFFFAOYSA-N 355.821 4.602 0 50 FJAA C[S@@](=O)Cc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 131379813 FMADZYUZEBLKTJ-VWLOTQADSA-N 373.861 4.731 0 50 FJAA CSc1cc2c(cc1NC(=O)N(C)C1CCCCCCC1)OCCO2 170616093 BKNKOSWJNKFYDL-UHFFFAOYSA-N 364.511 4.756 0 50 FJAA CC(C)c1noc(CCNC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1 170625492 ZAHWADMQYIWQIS-UHFFFAOYSA-N 369.509 4.515 0 50 FJAA Cc1nc(S[C@@H](C)c2ncc(C(C)(C)C)o2)n(C[C@H]2CCCO2)c1C 170650871 YQEMQQFXPZQPKI-LSDHHAIUSA-N 363.527 4.818 0 50 FJAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cccc(-c3cncc(N)c3)c2)C1 426690707 PTMQEGFQNQJXAR-FQEVSTJZSA-N 371.484 4.659 0 50 FJAA CCCN(Cc1ccc(SC)cc1)C(=O)c1sc(NCC)nc1C 952963801 IXGSWFPFKHKDHI-UHFFFAOYSA-N 363.552 4.658 0 50 FJAA Cc1ccc(NC2(C(=O)N[C@@H](C)c3cccc(C)n3)CCCCC2)cc1 1506421688 KRNFSFKHUFOKGB-SFHVURJKSA-N 351.494 4.691 0 50 FJAA Cc1nc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)[nH]c1C 1875303481 AGDILMNGTZUSGA-UHFFFAOYSA-N 354.410 4.518 0 50 FJAA Cc1c(Cl)c(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 641716 ZEYBVIGVOYAWAI-UHFFFAOYSA-N 363.196 4.670 0 50 FJAA CCOc1ccc2nc(N3C(=O)c4cccc5cccc(c45)C3=O)sc2c1 856721 RXCYTISOBLQBRA-UHFFFAOYSA-N 374.421 4.649 0 50 FJAA Cc1ccc(S(=O)(=O)N(c2ccccc2C(C)(C)C)C(F)F)cc1 1155760 NCRQWRSCQWENTC-UHFFFAOYSA-N 353.434 4.710 0 50 FJAA CCc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 1178919 JIXLYBNSPJZKND-UHFFFAOYSA-N 353.274 4.683 0 50 FJAA COc1cc(NC(=O)Cc2cccc3ccccc23)c(OC)cc1Cl 1229877 YJEHTQQBICFKOP-UHFFFAOYSA-N 355.821 4.692 0 50 FJAA COc1cc(C)ccc1OCCOc1c(C)cc(C)cc1Br 2994627 SMCMHFIAOWTWAO-UHFFFAOYSA-N 365.267 4.841 0 50 FJAA C[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)c1cccs1 4653867 DPDWVMQZWKEZAR-LBPRGKRZSA-N 357.456 4.687 0 50 FJAA COc1cc(NC(=O)Nc2cccc(Cl)c2C)c(OC)cc1Cl 5041864 FZWRASDSRHMIAC-UHFFFAOYSA-N 355.221 4.963 0 50 FJAA Clc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1Cl 19831785 SEOSVDFYKDQSQO-VMPITWQZSA-N 361.316 4.824 0 50 FJAA C/C(=C\c1ccco1)CN1CCC(c2n[nH]cc2Cc2ccccc2)CC1 23251707 WROXDSADLVOCAW-NBVRZTHBSA-N 361.489 4.876 0 50 FJAA Cc1ccc2ncccc2c1CN1CCc2onc(-c3ccccc3)c2C1 67894391 PLGFWSAYIYVHIY-UHFFFAOYSA-N 355.441 4.757 0 50 FJAA COCCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72476376 FXRZTVQPFDSICR-UHFFFAOYSA-N 356.853 4.597 0 50 FJAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 77374905 IBKZDCCYNHUUDH-HXUWFJFHSA-N 363.436 4.594 0 50 FJAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@H]2CCCO2)s1 91594753 PVQRPOQVAGXJPO-CQSZACIVSA-N 369.408 4.891 0 50 FJAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 95531084 NZWPADNHNZXORO-MRXNPFEDSA-N 371.912 4.555 0 50 FJAA O=C(NCc1ccn(C2CCCC2)n1)N1CCC[C@H]1c1ccccc1Cl 152220732 SXSAKUSUUGPULL-IBGZPJMESA-N 372.900 4.698 0 50 FJAA C[C@H]1Sc2ccccc2N(C(=O)c2csc(-c3ccccn3)n2)[C@@H]1C 176695783 SYSRMGWYRXWKAJ-CHWSQXEVSA-N 367.499 4.735 0 50 FJAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC[C@@H]1c1ccccn1 221374206 MIFVYTNCKJENRI-HXUWFJFHSA-N 369.896 4.703 0 50 FJAA CC(C)[C@H]1N(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC12CCC2 253428762 BGBMSHNPSSTLER-MRXNPFEDSA-N 362.399 4.572 0 50 FJAA OC[C@]1(Cc2ccccc2)[C@@H]2[C@@H]3[C@H]4[C@H]5[C@H]6[C@H](CC[C@H]6[C@H]41)[C@H]1[C@@H]4CC[C@@H]2[C@@H]4[C@@H]3[C@@H]51 257358892 WZWKRYSKYLCXLZ-XQCNJPANSA-N 372.552 4.504 0 50 FJAA c1cncc(-c2ccc(CNC3CCN(Cc4cccs4)CC3)cc2)c1 952988769 KQAKEWDVTWNROX-UHFFFAOYSA-N 363.530 4.564 0 50 FJAA CC(C)c1ccc(-c2cccc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)c2)nn1 1565514268 KZLJLKPBIOWGFS-KNQAVFIVSA-N 357.457 4.553 0 50 FJAA CCc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 956479 JNZIGLSOBUDRBI-UHFFFAOYSA-N 361.441 4.846 0 50 FJAA O=C(Nc1ccc(F)cc1)Nc1nnc(CSCc2ccccc2)s1 9008349 RNLNDUBWDDIHMY-UHFFFAOYSA-N 374.466 4.755 0 50 FJAA O=C(Nc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1)c1ccco1 10372835 IZYSVDGDYVLBON-UHFFFAOYSA-N 374.440 4.982 0 50 FJAA CCC1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 23280215 JHKQKJRQMAFELF-UHFFFAOYSA-N 366.343 4.701 0 50 FJAA O=C(O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64858603 YQRYKVLRMJAKGU-UHFFFAOYSA-N 357.409 4.890 0 50 FJAA in-vitro CCCC(=O)Nc1cccc(NC(=O)N(Cc2ccc(C)s2)C2CC2)c1 96154144 VFSRVBMQRBJEKV-UHFFFAOYSA-N 371.506 4.992 0 50 FJAA CC(C)CC[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccoc1 252549441 RFIHHSWCFBYHHU-COPCDDAFSA-N 355.526 4.652 0 50 FJAA Cc1nnc(-c2ccc(C)c(NC(=O)NCCSC3CCCCC3)c2)o1 426419876 AZGZVIZTRXKWPM-UHFFFAOYSA-N 374.510 4.541 0 50 FJAA Cc1cccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)c1O 2325707864 RQFKKKUSLFNPPQ-CSKARUKUSA-N 364.376 4.679 0 50 FJAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC1CCCC1 904226 GFQLNGRTBFIRPQ-UHFFFAOYSA-N 369.515 4.509 0 50 FJAA O=C(c1ccc(F)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 1069960 VRRRGHJDDBMJEC-GOSISDBHSA-N 350.418 4.879 0 50 FJAA O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1F 1141382 CCVUWQYTRIDDQQ-UHFFFAOYSA-N 359.360 4.795 0 50 FJAA Cc1ccnc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 1188537 IFPQHCYQCHTSSU-UHFFFAOYSA-N 360.523 4.786 0 50 FJAA Cn1c(SCc2cccc(Cl)c2Cl)nc2ccccc2c1=O 2802688 QENQFKVZFBVPFK-UHFFFAOYSA-N 351.258 4.533 0 50 FJAA Cc1c([C@H](C)NC(=O)CCCCc2ccccc2)cnn1-c1ccccc1 14968824 MJWIUFGDHOTXCC-SFHVURJKSA-N 361.489 4.771 0 50 FJAA C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1 44934141 JJFXLXMOQRMJPS-HNNXBMFYSA-N 374.887 4.569 0 50 FJAA O=C(c1ccc[nH]1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71751444 NGYAXUBANIXBDI-AWEZNQCLSA-N 350.384 4.519 0 50 FJAA CCCCOC(=S)SCCOCCSC(=S)OCCCC 100805000 HHYFNAXLKDKCRY-UHFFFAOYSA-N 370.627 4.673 0 50 FJAA O=C(c1cc(Oc2ccccc2)ccn1)N(c1ccccn1)C1CCCC1 178487551 LSFFMUGLHLBNCG-UHFFFAOYSA-N 359.429 4.858 0 50 FJAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 252669327 HDYOHIPUTVLDED-HBDUWURDSA-N 361.485 4.727 0 50 FJAA CC(C)CCn1ncc(NC(=O)N2CCC[C@@H]2c2cccn2C)c1C(C)C 331690058 XYXKWENLLZMPAE-LJQANCHMSA-N 371.529 4.760 0 50 FJAA COc1ccc2occ(C(=O)Nc3cccc(C(=O)C(C)(C)C)c3)c2c1 1875337659 CGOXUGYBXPSVMH-UHFFFAOYSA-N 351.402 4.923 0 50 FJAA Cc1ccc(CN[C@@H]2c3ccccc3CC2(C)C)c(O[C@@H]2CCOC2)c1 1875344374 IPCHBXBREVUWRN-DENIHFKCSA-N 351.490 4.576 0 50 FJAA Cc1nc2cc(-c3nc(CC(F)(F)F)nn3[C@H](C)C(C)C)c(F)cc2[nH]1 1875348425 QAUVWQGIXOGKNO-SECBINFHSA-N 369.366 4.591 0 50 FJAA COc1cc([C@@H]2CN([C@H](C)c3c(C)cc(C)cc3C)CCO2)ccc1F 2325828335 DXCBPXCMTAGLSC-UTKZUKDTSA-N 357.469 4.894 0 50 FJAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 680960 BQBBCJKDVUUBJB-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccccc1 792910 IUFCTIMIFMQSNS-UHFFFAOYSA-N 357.456 4.906 0 50 FJAA CC(C)(C)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 841253 XMYJRTLQEAYIIE-UHFFFAOYSA-N 356.897 4.600 0 50 FJAA O=C(NCc1cccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1068957 YZKMAFGGAHELNC-UHFFFAOYSA-N 368.889 4.957 0 50 FJAA C[C@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)CCCC2 1123859 PPJKVBQGIMJYBO-ZDUSSCGKSA-N 358.279 4.819 0 50 FJAA Cc1c(Cl)cccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 1181787 SYOPJJIQFFUKIA-JXMROGBWSA-N 365.285 4.828 0 50 FJAA C[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)C1 1459715 DHUGRKCPSMOIMO-CQSZACIVSA-N 365.864 4.822 0 50 FJAA O=C(Nc1ccc(Br)cn1)Nc1ccccc1C(F)(F)F 2857557 HROOZTZMEAOTBA-UHFFFAOYSA-N 360.133 4.507 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 2955093 BHJOPIFJPCCIIX-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 5069302 PFXTVFIEAPWEIR-UHFFFAOYSA-N 366.467 4.764 0 50 FJAA CCCCC[C@@H](C)n1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21 6042473 KJLTUXHNZZZVJP-CQSZACIVSA-N 368.481 4.875 0 50 FJAA COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccccc2Cl)cc1F 11664179 LXOJPRHLKHXCPE-LBPRGKRZSA-N 359.832 4.729 0 50 FJAA Cc1cc(CNC(=O)c2oc(C)nc2C)c2[nH]c(-c3ccccc3)c(C)c2c1 82116328 WKXUVXQNFLGNRW-UHFFFAOYSA-N 373.456 4.987 0 50 FJAA c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1 95507010 XWQKYIHXNDROCW-UHFFFAOYSA-N 359.473 4.529 0 50 FJAA CCOC(=O)c1c(CCC(C)C)nc2oc(-c3ccccc3)cc2c1N 169681473 IKSAZZUXGNUOIO-UHFFFAOYSA-N 352.434 4.842 0 50 FJAA O=C(NCC[C@@H]1CCc2ccccc21)c1cc(C(F)(F)F)ccc1F 1436552444 OBDKDNGQBNGVIS-ZDUSSCGKSA-N 351.343 4.694 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2Cc2cnn(-c3ccccc3)c2)cc1 1506404495 YMKWBESSYJEDIG-DEOSSOPVSA-N 374.532 4.661 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccccc3-c3ccccc3)C1)CC2 1704312859 ADLHVOPEYQNYDC-VWLOTQADSA-N 369.512 4.932 0 50 FJAA Cc1ccccc1C1CC(N(Cc2ccc(C(=O)N(C)C)cc2)C2CC2)C1 1875260483 ZHBCUNYHORHQLV-UHFFFAOYSA-N 362.517 4.607 0 50 FJAA Cc1cc(Oc2ccncc2)ccc1NC(=O)NC[C@]12CCCC[C@@H]1C2 1875338888 PHXXFYPUYGHTLR-IIBYNOLFSA-N 351.450 4.884 0 50 FJAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)cc1 641887 GULSPCDJAJDRBP-UHFFFAOYSA-N 356.672 4.833 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Cl)ccc1Cl 878819 NGTZMVFOWBFDOW-UHFFFAOYSA-N 352.246 4.601 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 2092881 BABQVBMSGPAJCX-UHFFFAOYSA-N 361.438 4.585 0 50 FJAA Cc1cc(O[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)ccc1Cl 2877085 NVHHWGQVBAXXNF-SNVBAGLBSA-N 364.829 4.803 0 50 FJAA O=C(Nc1cccc(Cl)c1)OCCOc1ccc(Br)cc1 2893381 ADFIPUWKKNCCRL-UHFFFAOYSA-N 370.630 4.730 0 50 FJAA COc1ccc(CNCC[C@]2(c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 4038362 NJKRITVJGFNMNK-RPWUZVMVSA-N 367.533 4.948 0 50 FJAA biogenic CC(C)(C)c1ccc(C(=O)c2cn[nH]c2-c2cc(Cl)ccc2O)cc1 4427296 USYSLWKDSDXXIR-UHFFFAOYSA-N 354.837 4.964 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 5673137 NLFDTBOCORSJDH-UHFFFAOYSA-N 352.312 4.526 0 50 FJAA Cn1c(SCc2ccccc2)nnc1-c1ccc(Br)cc1 5756576 QYSKOVQMNNUSSM-UHFFFAOYSA-N 360.280 4.537 0 50 FJAA COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccnc1 12318066 BZMHXLYOSFWUFR-DEOSSOPVSA-N 369.468 4.719 0 50 FJAA CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(Cl)cc1 13330103 XGAMORFWDIWPNR-QGZVFWFLSA-N 351.899 4.695 0 50 FJAA Fc1ccc(CNc2ccc(-c3ccc(Br)cc3)nn2)cc1 20734590 HYIVPTUPRJVZHJ-UHFFFAOYSA-N 358.214 4.657 0 50 FJAA Cc1ccccc1-c1cccc(N2CCC(NCCc3ccncc3)CC2)c1 23159498 RAZJUKSAAFNBQG-UHFFFAOYSA-N 371.528 4.858 0 50 FJAA CC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1sc2ccccc2c1C 65408720 SEBOQXSQVRFOLW-INIZCTEOSA-N 350.443 4.642 0 50 FJAA CC(C)(C)N1CCC(NC(=O)Nc2ccccc2Cc2ccccc2)CC1 193716190 RVZOALRYEGXZFM-UHFFFAOYSA-N 365.521 4.662 0 50 FJAA COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1O 205273249 CPTQHBBUSNGMOV-UHFFFAOYSA-N 354.168 4.534 0 50 FJAA Cc1cccc(C)c1[C@H](C)NCc1cc2c(c(-c3ccncc3)c1)OCO2 1875267055 BCYKOAKDUQNJFY-KRWDZBQOSA-N 360.457 4.945 0 50 FJAA COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 626926 FTAKKCSNDYQODF-UHFFFAOYSA-N 365.816 4.832 0 50 FJAA CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1 840538 BBIXDTYBXHTUHX-UHFFFAOYSA-N 360.244 4.864 0 50 FJAA COc1ccccc1[C@H]1C=C(Nc2ccccc2)C(=O)N1c1ccccc1 1201153 SLQXAPSTRQLTFB-OAQYLSRUSA-N 356.425 4.779 0 50 FJAA C[C@@H]1CCCCN1C(=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 1460279 YSOVJIPKWXPXHK-CQSZACIVSA-N 365.864 4.965 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1c(C)cc(C)cc1Cl 2984975 IEORAICCUKVAHX-UHFFFAOYSA-N 364.869 4.748 0 50 FJAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl 10155748 QEXFLMRFKCZTKX-ZDUSSCGKSA-N 366.244 4.804 0 50 FJAA Cc1ccc(-c2cncnc2[C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)cc1 11787922 XKGAHVYRHFXIDR-UXHICEINSA-N 361.489 4.514 0 50 FJAA CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1OC 11907414 HOPZLGIMKFEMOJ-SFHVURJKSA-N 352.459 4.753 0 50 FJAA Cc1ccc(-c2noc(CN(C(=O)CC3CCCCC3)C(C)C)n2)cc1 17542443 ZZMKCKMFHYTCCP-UHFFFAOYSA-N 355.482 4.752 0 50 FJAA CC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27645290 FFXKPSNQCPNORO-GDKKDORTSA-N 362.510 4.715 0 50 FJAA endogenous,in-man C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 44934148 NJQXBZMZRZQGKZ-OAHLLOKOSA-N 374.887 4.569 0 50 FJAA COc1ccc([C@](C)(O)[C@H](c2ccc(Cl)cc2)c2ccccn2)cc1 71767130 JZQKTTVXWBFJEY-RTWAWAEBSA-N 353.849 4.783 0 50 FJAA CC[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCO1 72475519 ZWJNCAQCHIZGLF-INIZCTEOSA-N 368.864 4.739 0 50 FJAA COc1cccc(-c2ccc(NC(=O)N(C)CCC3CCOCC3)cc2)c1 95511021 DUTKWVBOYLRNRK-UHFFFAOYSA-N 368.477 4.643 0 50 FJAA COc1ccc2c(oc3c([Si](C)(C)C)c(OC)ccc32)c1[Si](C)(C)C 169838492 AOGROJJSIDGFEB-UHFFFAOYSA-N 372.613 4.694 0 50 FJAA Cc1nccn1-c1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 246967629 JDUMCZWZNFZMKX-IMRHEYAYSA-N 361.489 4.752 0 50 FJAA COCc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 252509361 YMCLFONSCDEZOE-UHFFFAOYSA-N 370.836 4.713 0 50 FJAA C[C@@H](c1cccc(-c2ccc(C(=O)CCC(=O)O)cc2)c1)N1CCCC1 534574580 WYCHKCCZKPJXLI-INIZCTEOSA-N 351.446 4.558 0 50 FJAA C[C@@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(C2CC2)n(C)n1 1875328999 WXOQIQAXKCSMRZ-OAHLLOKOSA-N 357.461 4.785 0 50 FJAA Cc1cc(Br)c(O)c(NC(=O)c2ccc(C3CC3)s2)c1 2325727441 PSQPOMDBKHZSIJ-UHFFFAOYSA-N 352.253 4.654 0 50 FJAA CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(O)c1 710146 WIJCJNIQMZNUMW-UHFFFAOYSA-N 356.809 4.823 0 50 FJAA CC(C)COc1ccc([C@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 753524 YCJYBYTUTWAFAD-PKTZIBPZSA-N 353.506 4.634 0 50 FJAA COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1186512 MYYXTSCXARVDFS-UHFFFAOYSA-N 374.396 4.521 0 50 FJAA COc1ccc(-c2csc3nc(-c4ccc(F)cc4)oc(=O)c23)cc1 1192245 ROQKXIACCHOQAR-UHFFFAOYSA-N 353.374 4.731 0 50 FJAA O=C(Nc1ccc(F)cc1)Nc1nnc(CSc2ccccc2)s1 2193733 YDQIJDMYJFZDHF-UHFFFAOYSA-N 360.439 4.614 0 50 FJAA CC(C)c1ccc(OCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 2752810 BQMIPSSUVLIGQS-ROUUACIJSA-N 367.489 4.638 0 50 FJAA Cc1cccc(NC(=O)C(Cc2ccccc2)C(=O)Nc2cccc(C)c2)c1 2853195 VXXMFILTQVIPQB-UHFFFAOYSA-N 372.468 4.740 0 50 FJAA O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 3366253 FFGIMIJJSOTRBL-CQSZACIVSA-N 361.285 4.609 0 50 FJAA O=C(CC(c1ccccc1)c1ccccc1)NC[C@H]1OCCc2ccccc21 4117678 ROTGDAZFYDBTRJ-XMMPIXPASA-N 371.480 4.639 0 50 FJAA CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4311311 VDOHPCAQFNNDNS-UGKGYDQZSA-N 360.413 4.921 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCC(C)CC1 4998946 USPUCQLQCOHPPR-UHFFFAOYSA-N 358.869 4.837 0 50 FJAA COc1cccc2c1O[C@@H](C(C)C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5614031 XVUKEUKQVQDVTF-PXNSSMCTSA-N 356.853 4.874 0 50 FJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1 6701749 QGLBPAWZOCOPJN-UHFFFAOYSA-N 370.840 4.833 0 50 FJAA COc1cc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)ccc1F 12713106 OANZUHTTWBZRMD-QGZVFWFLSA-N 373.493 4.651 0 50 FJAA Cc1noc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 20615710 HFHFAJHWJBAAML-UHFFFAOYSA-N 357.129 4.980 0 50 FJAA C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C1SCCS1 43762245 YDAQKVWTWGRIQQ-DFXFOWLGSA-N 366.592 4.832 0 50 FJAA CN(Cc1ccc(CCC(C)(C)O)cc1)Cc1nc2cc(Cl)ccc2[nH]1 72458125 FNNQXCYLDBBIMS-UHFFFAOYSA-N 371.912 4.552 0 50 FJAA Cc1ncc(C(=O)N2CCCCC[C@H]2c2ccco2)c(-c2ccccc2)n1 82138404 HNEBTVLKCYLCQG-IBGZPJMESA-N 361.445 4.803 0 50 FJAA Cc1noc(C)c1-c1ccc(OC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 239366873 AGMCRXBUHDNWJT-SJLPKXTDSA-N 369.367 4.946 0 50 FJAA C[C@H]1CCC(=O)N[C@@H]2C(=O)[C@@]3(C)[C@H]1CC[C@@H]3[C@H]1CC[C@@H]3CCCC[C@]3(C)[C@H]21 254371839 DVKKOXLBDFKRNO-ROXAEFGTSA-N 371.565 4.739 0 50 FJAA CC(C)c1nnc(NC(=O)C[C@H](c2cccc3ccccc23)n2cccc2)[nH]1 263587742 KSLQVUPPETTYLA-LJQANCHMSA-N 373.460 4.501 0 50 FJAA O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)c(O)c(Cl)c1 408525974 ZFGJNSUWCCUUIQ-UHFFFAOYSA-N 364.150 4.648 0 50 FJAA Cc1cc(Cl)cc(-c2ccnn2-c2ccccc2)c1OC1CCNCC1 1875330173 QZAYUIGAGRDHGD-UHFFFAOYSA-N 367.880 4.632 0 50 FJAA CN(C(=O)c1cnc(-c2ccoc2)s1)[C@@H](c1ccc(F)cc1)C1CC1 2325735064 ZIKFELUBWNKELZ-QGZVFWFLSA-N 356.422 4.766 0 50 FJAA O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1C(=O)OCc1ccccc1 641410 JNQYOPCQZVPOCL-OAQYLSRUSA-N 374.440 4.580 0 50 FJAA COc1ccccc1COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 1155967 MWVPGBVJNODYGR-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA biogenic O=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(Br)ccc21 1158589 WHOQBTCBCNYMSB-UHFFFAOYSA-N 370.168 4.671 0 50 FJAA CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 1175974 STHAIGZSYIOUPV-WMZOPIPTSA-N 350.462 4.500 0 50 FJAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3)n2C)c1 82098282 FKCOPJZLQCONLB-OAQYLSRUSA-N 360.457 4.678 0 50 FJAA COCCCN(Cc1ccc(F)cc1)C(=O)c1cccc2c(C)c(C)[nH]c12 96164053 ILIDGOSMICSQHQ-UHFFFAOYSA-N 368.452 4.603 0 50 FJAA O=C(Nc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCO[C@H]1c1ccccc1 170626769 XPCLATSMQPAENO-IRLDBZIGSA-N 374.440 4.980 0 50 FJAA Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccn4)=NN32)c1 328599900 UHIXRERJWJOJQC-TZIWHRDSSA-N 361.832 4.977 0 50 FJAA Fc1ccc([C@@H](NCC2(c3cccc(Cl)c3)CC2)c2ncc[nH]2)cc1 446816361 FDUSZHNKZHBEQE-GOSISDBHSA-N 355.844 4.613 0 50 FJAA O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cccnc1Oc1ccccc1 821931557 SDOHNNBVXDRMQS-GFCCVEGCSA-N 351.233 4.786 0 50 FJAA O=C(Nc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21 621921 VGSYYBSAOANSLR-UHFFFAOYSA-N 359.381 4.746 0 50 FJAA in-vitro Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1C 678241 JZVRYTINJWXLQE-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(cc12)CCCCC3 689568 CQHANDOPDQLVOA-UHFFFAOYSA-N 355.438 4.539 0 50 FJAA O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12 708536 UKIIVFTXNXPTHV-UHFFFAOYSA-N 368.392 4.883 0 50 FJAA Cc1ccc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1 947004 TYBHBTVKTLHMAC-UHFFFAOYSA-N 352.459 4.753 0 50 FJAA O=C(CCc1ccccc1)Oc1ccc(Nc2ncnc3ccccc23)cc1 955727 DFGWTLCMZKIRJK-UHFFFAOYSA-N 369.424 4.912 0 50 FJAA CCCN1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 1012660 FMVXTNVAVVBQFB-PDGQHHTCSA-N 371.433 4.851 0 50 FJAA Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 1123955 NHHOOERHQVONLG-FQEVSTJZSA-N 371.436 4.621 0 50 FJAA Cc1cc(Cl)ccc1O[C@H](C)c1nnc(NC(=O)OCC(C)C)s1 2844450 FHFZEZBYZWQTGL-LLVKDONJSA-N 369.874 4.844 0 50 FJAA COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1 4820410 XDYSAKLUNSNZRI-REWPJTCUSA-N 357.409 4.670 0 50 FJAA CC(C)COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 22135484 JZUQHYDXNQJMOX-UHFFFAOYSA-N 360.457 4.960 0 50 FJAA COc1cc(OC)c(NC(=O)c2ncoc2-c2ccc(C)cc2)cc1Cl 152107777 KEXSRAJIFOTHAJ-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@]12CCCN(C)C2=O 2100544632 CCVXMMRNQNSTAA-QFIPXVFZSA-N 371.525 4.552 0 50 FJAA O=C(NCCCCc1ccccc1)NC1CC(c2cccc(Cl)c2)C1 2325866120 AKPDNEQACIXQAB-UHFFFAOYSA-N 356.897 4.908 0 50 FJAA Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)c1C 996583 HZSGAEJMCISOHS-JLHYYAGUSA-N 362.517 4.789 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1C 1180183 PATUXOSSDKVESS-UHFFFAOYSA-N 350.443 4.870 0 50 FJAA COC(=O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 1745102 VOKBJUGRXJLLDM-UHFFFAOYSA-N 355.397 4.827 0 50 FJAA Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1 2763350 JCUOUYNXSZOQRQ-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA O=C(Nc1ccc2oc(=O)ccc2c1)c1sc2ccccc2c1Cl 2861198 WBLLOVDIOHOHQJ-UHFFFAOYSA-N 355.802 4.913 0 50 FJAA CCOc1ccc(-c2nc(NC(=O)c3ccc(OC)cc3)sc2C)cc1 2979674 RYUOLVBBCPHGQT-UHFFFAOYSA-N 368.458 4.778 0 50 FJAA COc1cc(CNCc2ccncc2)ccc1OCc1cccc(Cl)c1 4413630 RRMSFBFISOQLMO-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA CC(=O)OC1=CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]12C 4578321 KPJNGUPMJAHAND-NXLVEIQXSA-N 354.446 4.525 0 50 FJAA CCc1c(C)nn(CCn2cnc(-c3ccccc3)c2CCSC)c1C 65372314 BIABTKIUYMVIPN-UHFFFAOYSA-N 368.550 4.532 0 50 FJAA CCCc1ccc2oc(C(=O)N3CCCC[C@@H]3c3nc(C)no3)c(C)c2c1 77385205 JDPLVSNHTOCKMQ-QGZVFWFLSA-N 367.449 4.753 0 50 FJAA O=C(Nc1ccnn1Cc1cccs1)N1CCCCC[C@@H]1c1ccco1 96136147 PEIAUCVHVRCKSM-MRXNPFEDSA-N 370.478 4.735 0 50 FJAA COc1cccc2c1N(C(=O)c1cc(Cl)nc(Cl)c1)CC[C@H]2C 170596885 AUXGZYAYTWKKEB-SNVBAGLBSA-N 351.233 4.551 0 50 FJAA O=C(CCCc1nc(O)c2ccccc2n1)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253534046 XKWXVTRBMUPCON-YESZJQIVSA-N 368.477 4.560 0 50 FJAA CC[C@H](NC(=O)c1cc(N2CCCCC2)ccc1Cl)c1ncccc1C 299768223 ITRFRSRUNNHROQ-IBGZPJMESA-N 371.912 4.915 0 50 FJAA COc1ccc(OC(=O)Nc2cc(Cl)c(OC)cc2OC)c(Cl)c1 640865 NYRDQUNYTNRKNK-UHFFFAOYSA-N 372.204 4.630 0 50 FJAA Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c(C)c1 647750 WGIPFPVIJZUIFT-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(F)cc1 685823 KOWSBAOUXUUNQO-UHFFFAOYSA-N 361.419 4.655 0 50 FJAA CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 849000 XPXMWHZIIQUVSV-UHFFFAOYSA-N 364.401 4.571 0 50 FJAA CCCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 4027813 APALGHYRUVCWGE-UHFFFAOYSA-N 356.805 4.661 0 50 FJAA biogenic CC[C@H](C)N(Cc1sccc1C)C(=O)c1cccc(-c2ncc[nH]2)c1 55270891 TVMVGBXYSKLTED-HNNXBMFYSA-N 353.491 4.888 0 50 FJAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C(C)C)nc3)nc2c1 63883679 YVOXAZNPCKXELA-MRXNPFEDSA-N 374.488 4.748 0 50 FJAA COc1cc(C)ccc1CN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C 225566615 SJDYMMIAXFMMKM-HNNXBMFYSA-N 371.481 4.596 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)Nc2cccc3c4c(oc23)CCCC4)no1 299775833 KHLWIKXQGJIQNV-GOSISDBHSA-N 365.433 4.977 0 50 FJAA Oc1nc(N[C@H](c2ccccc2)[C@@H]2C[C@@H]2c2ccccc2)ncc1Cl 1875337332 RKMPLYBRFHLQDR-JFIYKMOQSA-N 351.837 4.793 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 622542 RSBVBGXAURKYAQ-UHFFFAOYSA-N 358.869 4.656 0 50 FJAA Cc1nc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)sc1C 1115704 VMKIZGFHSDTBHP-UHFFFAOYSA-N 365.669 4.738 0 50 FJAA CCOC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 1125345 ARXPIJSYNJKSJG-UHFFFAOYSA-N 352.312 4.526 0 50 FJAA O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1 1145444 BVUAYJPJNWOHIR-UHFFFAOYSA-N 373.275 4.728 0 50 FJAA CCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OCC)cc2)cc1 1555806 GIJIKFKGLZGENN-UHFFFAOYSA-N 358.390 4.620 0 50 FJAA Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1 2981872 GODGVOOEVLTDJA-UHFFFAOYSA-N 368.241 4.618 0 50 FJAA CCO[C@H](c1ccccc1)[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 5335566 LTVYVPNMZWITOX-BEFAXECRSA-N 357.406 4.556 0 50 FJAA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cccc(C)n4)C3)ccc2c1 11932693 XXLDPDOCCFMHIA-OAQYLSRUSA-N 374.484 4.647 0 50 FJAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccccc3F)c2C)cc1 13331375 YMKLFJUUQYESGR-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA c1ccc(COc2ccc(OCCN3CCc4ccccc4C3)cc2)cc1 20323603 RXZFUYXPGMSFIK-UHFFFAOYSA-N 359.469 4.703 0 50 FJAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 20603469 XPEWITNOZGTOQY-UHFFFAOYSA-N 365.380 4.779 0 50 FJAA O=C(CC1=CCCCC1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 23431802 CTSSMNARFAMOAW-UHFFFAOYSA-N 361.489 4.740 0 50 FJAA Cc1c(C(=O)N(C)Cc2c[nH]nc2-c2ccccc2)oc2c(F)cccc12 77451859 JGITTWCWMSLEBE-UHFFFAOYSA-N 363.392 4.543 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 91519166 WIPNIDJASPFNEY-UHFFFAOYSA-N 369.490 4.736 0 50 FJAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 333601033 CQTHUYCCTGRQOD-VQIMIIECSA-N 366.509 4.878 0 50 FJAA C[C@H](C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(Cl)c1 460671953 FTZILKUFQBSVBP-AWEZNQCLSA-N 365.864 4.636 0 50 FJAA CC(=O)c1c(C)cc(C)c(CN(Cc2cccc(O)c2)CC2CC2)c1C 499079018 XQTRDQIDHSLABT-UHFFFAOYSA-N 351.490 4.932 0 50 FJAA O=C(OCc1nc2ccccc2n1C(F)F)[C@H]1CCSc2ccccc21 741891409 DCZFMADJEZCCOM-ZDUSSCGKSA-N 374.412 4.754 0 50 FJAA O=C(NCc1cccc(Oc2ccccc2)c1)c1cccc2cnccc12 1356444725 BICLSBLUUNGSCY-UHFFFAOYSA-N 354.409 4.957 0 50 FJAA c1ccc(-c2nc(NCc3csc(C4CC4)n3)c3ccsc3n2)nc1 1875339214 DVTYAGIORDTNFG-UHFFFAOYSA-N 365.487 4.699 0 50 FJAA O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CC2(CCC2)C[C@@H]1C(F)(F)F 1875408245 RLESAGKOLMKXOW-BZUAXINKSA-N 355.375 4.653 0 50 FJAA c1ccc(-c2cc3c(NC[C@@H]4COc5ccccc54)ncnc3s2)cc1 2325853828 CVYHKVCWQCGIRM-OAHLLOKOSA-N 359.454 4.946 0 50 FJAA CC1(S(=O)(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 2325874478 NWOIHYDKSBIEPP-MRXNPFEDSA-N 370.301 4.555 0 50 FJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(O[C@@H]3CCCCC3=O)ccc12 622148 IWJNBOGBMZCUQQ-OAQYLSRUSA-N 362.425 4.583 0 50 FJAA biogenic CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1cccc2ccccc12 707372 OYRKCZJNAUWPRB-SFHVURJKSA-N 351.475 4.756 0 50 FJAA Cc1ccccc1C(=O)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl 808678 USNDOCNLESFCJG-HNNXBMFYSA-N 358.652 4.500 0 50 FJAA O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 863015 XUYGDEPMTPULGN-UHFFFAOYSA-N 373.843 4.880 0 50 FJAA Cc1ccc(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 1115810 PDOHBTKCAMJWCD-UHFFFAOYSA-N 366.442 4.571 0 50 FJAA CCOc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 1144554 WFMWFIJMQIVRKV-KRWDZBQOSA-N 353.462 4.536 0 50 FJAA CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 2427743 FRWYEHCASGTKNU-UHFFFAOYSA-N 365.289 4.959 0 50 FJAA O=C(Nc1ccc2oc(=O)ccc2c1)C(c1ccccc1)c1ccccc1 2860789 OPIVQOZHEYEORX-UHFFFAOYSA-N 355.393 4.564 0 50 FJAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCCO4)c(C)oc2cc1O 5908526 NNFVCPZXIDVVLY-UHFFFAOYSA-N 366.413 4.588 0 50 FJAA biogenic CCOc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1 8586820 ROBXZCGAVJTPHB-AWEZNQCLSA-N 358.507 4.945 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@H](Nc2ccccc2)C1 12319671 UYBRMBKWKDWIQQ-KRWDZBQOSA-N 353.491 4.788 0 50 FJAA C[C@H](c1ccco1)N(C)Cc1ccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)cc1 32573434 YUZQVMVXEQCTHQ-OAHLLOKOSA-N 365.477 4.520 0 50 FJAA C[C@H](c1cccc2ccccc12)N(C)C(=O)c1cccc(Cn2cccn2)c1 91426082 MWNVHWAREAGPBO-GOSISDBHSA-N 369.468 4.918 0 50 FJAA CCC(CC)N(C(=O)COc1ccccc1)[C@@H]1CCCc2cccnc21 170617616 QFNCPXIRPVQRCU-HXUWFJFHSA-N 352.478 4.555 0 50 FJAA Cc1cccc2[nH]c(CCNC(=O)[C@H](c3ccccc3)C3CCCC3)nc12 215558345 LXLUBYHPCQSNKA-OAQYLSRUSA-N 361.489 4.504 0 50 FJAA Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]2c2ccsc2)no1 252452387 GJOKYRRGIYUDSV-HKUYNNGSSA-N 367.474 4.561 0 50 FJAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@H]2CCC[C@H]21 429979110 ZGKWZUKZDDFXSY-KKLQWCBXSA-N 373.500 4.884 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 477767947 JORYQSDHOXQPIP-MGPUTAFESA-N 351.494 4.984 0 50 FJAA CCCc1nc2ccccc2c(NC(=O)CN2CCCCCC2)c1CC 823161 QXTDGLXAYKNNGV-UHFFFAOYSA-N 353.510 4.564 0 50 FJAA CCCCN(CCCC)CC(=O)Nc1c2c(nc3ccccc13)CCC2 3683663 AZKLGFUJIAXHKV-UHFFFAOYSA-N 353.510 4.564 0 50 FJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NCCc2ccccc2)cc1 4595381 ONNQCVJTTVXIRQ-DEOSSOPVSA-N 369.508 4.968 0 50 FJAA CCc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 8086604 LJJXJJFSWHPMPL-UHFFFAOYSA-N 366.440 4.894 0 50 FJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(F)cc2)no1 12848060 OBCJRMXHBYZXCY-UHFFFAOYSA-N 366.270 4.632 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccc(F)cc1 32934347 YQXYFYJNOJKGMN-IBGZPJMESA-N 366.461 4.850 0 50 FJAA CC(C)c1ncc(CNCc2ccc(COCC(F)(F)F)cc2)s1 130968764 TZLBARBDJFDUTD-UHFFFAOYSA-N 358.429 4.635 0 50 FJAA CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)CC(C)(C)CC(C)=O 170609485 JEYBZUPQWIZRSJ-IBGZPJMESA-N 370.493 4.516 0 50 FJAA CSc1nnc(-c2cn(C)cc2C(F)(F)F)n1-c1ccc(Cl)cc1 263639935 PBSOHCXFFYPXJK-UHFFFAOYSA-N 372.803 4.667 0 50 FJAA C[C@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)CCc2ccc(Cl)cc21 846436197 DQHUGFHGUKTBEC-OSSATUEASA-N 357.803 4.561 0 50 FJAA CCCO[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 952989416 QVIBNXWCAMNGGK-LBPRGKRZSA-N 364.795 4.782 0 50 FJAA CCCCC[C@H](CC)c1nc(-c2cccc(CN3CCOCC3)c2)no1 1875357664 QGJYGPAJUZYYRE-SFHVURJKSA-N 357.498 4.643 0 50 FJAA O=C(C[C@@H]1CCC(F)(F)C1)N1CCC(F)(c2cccc(Cl)c2)CC1 2325738162 JHAUDNNWNIYCRD-ZDUSSCGKSA-N 359.819 4.953 0 50 FJAA O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 631050 VVUJZKKQZNUMKY-UHFFFAOYSA-N 366.258 4.969 0 50 FJAA CC(C)(C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 795385 WDGLFAAAVJIAOB-UHFFFAOYSA-N 351.884 4.956 0 50 FJAA CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccncc2)n1 812434 PJOPNPHMUUZNKV-UHFFFAOYSA-N 358.401 4.568 0 50 FJAA Cc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1Cl 1114539 YPURTTQBDWHWHR-UHFFFAOYSA-N 370.924 4.908 0 50 FJAA CCCOc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 2356838 XGNNVSHZVZWXRW-UHFFFAOYSA-N 374.937 4.627 0 50 FJAA CSc1nsc(SCC(=O)N(c2ccccc2)c2ccccc2)n1 2357323 FSQNQYIADOHLPJ-UHFFFAOYSA-N 373.528 4.717 0 50 FJAA Cc1ccc(-c2csc(NC(=O)C(C(F)(F)F)C(F)(F)F)n2)cc1 2601094 VTPPZEZVHXZLGC-UHFFFAOYSA-N 368.302 4.798 0 50 FJAA CCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 3002641 RGROHFIMACYUHL-AWEZNQCLSA-N 370.518 4.573 0 50 FJAA COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(F)c1F 3612936 OOWCJRMYMAMSOH-OLZOCXBDSA-N 374.374 4.671 0 50 FJAA in-vitro S=c1oc(COc2ccc(Cl)cc2Cl)nn1CN1CCCCC1 4486577 BTSNKRMVWQZTCJ-UHFFFAOYSA-N 374.293 4.535 0 50 FJAA Cc1nonc1[C@H]1CCCN1Cc1nc(-c2cccc3ccccc23)oc1C 19226717 VBTSWBXBJMXOBK-HXUWFJFHSA-N 374.444 4.832 0 50 FJAA Cc1c(O)cccc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 72137158 MXEOLMGPAGMKFY-LJQANCHMSA-N 352.478 4.541 0 50 FJAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)cc1 72473924 VQOWCTSNWPBZCF-SFHVURJKSA-N 371.908 4.673 0 50 FJAA O=C(O[C@@]12C[C@H]3CC[C@@]1(C3)[C@H]1CC[C@H]2C1)c1ccc(Br)cc1 101140378 FTUWHHXFFLWWSW-HODQNMRISA-N 361.279 4.965 0 50 FJAA O=C(CC(=O)c1ccc(C(=O)CC(=O)c2ccccc2)cc1)c1ccccc1 109447695 AHMOUNNBSBYDFE-UHFFFAOYSA-N 370.404 4.598 0 50 FJAA CCO[C@H](C(=O)Nc1nn(-c2ccccc2Cl)cc1C)c1ccccc1 122476267 CKWMMIDPQVBGGU-SFHVURJKSA-N 369.852 4.550 0 50 FJAA CCCCC[C@](C)(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 170602182 LFMZIXIOWMHUQQ-QFIPXVFZSA-N 373.541 4.796 0 50 FJAA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 239433994 YWCQKKGLXGBROQ-QNRNLVPOSA-N 356.422 4.568 0 50 FJAA Cc1nc(-c2ccc(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cs1 248023795 JUQDWKVVJGBERT-FDARSICLSA-N 354.519 4.602 0 50 FJAA CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1 252495263 OOSQAEKCOPGLIH-UHFFFAOYSA-N 351.450 4.736 0 50 FJAA CCc1oc2c(NC(=O)NCc3noc(C4CC4)n3)cc(Cl)cc2c1C 426359980 REJQFRYKTPGFFN-UHFFFAOYSA-N 374.828 4.539 0 50 FJAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc(Oc4ccccc4)cc3)[C@H]2C1 426388043 UILGOOCZTQPFOY-RJGXRXQPSA-N 367.489 4.637 0 50 FJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2ccc(C)nc2C)c1 426505785 OFWNILKFOCDQHR-QFIPXVFZSA-N 359.473 4.984 0 50 FJAA Cc1nn(C)c(NC(=O)NC(C)(C)c2ccc(F)cc2)c1-c1ccccc1 1875303539 CSQYGAVPYVJQIA-UHFFFAOYSA-N 366.440 4.591 0 50 FJAA CCOc1ccccc1OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 959493 FKMHRKNSQXDAGP-UHFFFAOYSA-N 374.433 4.501 0 50 FJAA CC(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1129970 MIFQEEWXMNHGIX-UHFFFAOYSA-N 350.340 4.552 0 50 FJAA Cc1cccc([C@H](CC(=O)NCCc2ccccc2)c2ccccc2)c1O 1133044 PMXBRDJGIRULCS-JOCHJYFZSA-N 359.469 4.582 0 50 FJAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 1179566 BSMVZMXQNYMRNM-LBPRGKRZSA-N 356.491 4.649 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 2874118 LGUBIVCBTFEPAJ-UHFFFAOYSA-N 370.861 4.835 0 50 FJAA aggregator Clc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 20534830 QOJWWBMQSSAMHV-NRFANRHFSA-N 362.864 4.692 0 50 FJAA Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccccc3Cl)c2n1 23114926 DCHJWDBHWABMHD-UHFFFAOYSA-N 354.885 4.903 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccnc3ccccc23)cc1 77564342 SAFIWAUZDJTFRD-HSZRJFAPSA-N 373.500 4.664 0 50 FJAA Cc1c[nH]nc1C1CCN(C(=O)Nc2ccc(Cl)c(C)c2Cl)CC1 95504841 HRNGFCLFUVWSHX-UHFFFAOYSA-N 367.280 4.745 0 50 FJAA COc1ccc(F)c(-c2nc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)c(C)o2)c1 102011067 SLRGELYRIOWVRT-ZYGGUILKSA-N 370.468 4.808 0 50 FJAA C[C@H](NCC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 239338678 KXPJSSIVKJYOLN-TYPHKJRUSA-N 371.590 5.853 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cc(F)ccc1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 247351434 CHVWEFCXKUCBPM-ZCUMGQRUSA-N 355.384 4.960 0 50 FJAA CC[C@H](SC)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 437347331 MRAPUNPEBCUBNM-NSHDSACASA-N 360.426 4.616 0 50 FJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@@H](C3CCCCC3)C2=C1O 888089118 IVDULERFRRGFNW-LJQANCHMSA-N 363.461 4.560 0 50 FJAA Fc1ccccc1Oc1ccc(-c2nc(Cc3cccs3)no2)cn1 904339635 BVAVXEKBIIZAOD-UHFFFAOYSA-N 353.378 4.715 0 50 FJAA C=CC(=O)N(Cc1ccc2cc(OC)ccc2c1)C[C@H]1Cc2ccccc21 1875386828 ZURRPZDNPPCKMD-OAQYLSRUSA-N 357.453 4.703 0 50 FJAA Oc1ccc2c(c1)[C@H](N[C@H]1CCOc3c1ccc(Cl)c3Cl)CC2 2325756277 VONODJZZFWJQOD-CVEARBPZSA-N 350.245 4.800 0 50 FJAA Cc1ccc(CSCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 656209 BBIVBQOZPYTMRR-UHFFFAOYSA-N 353.531 4.710 0 50 FJAA Cc1cc(Br)cc(C)c1OC(=O)COc1ccccc1Cl 959372 KZRUCOCRAIVBFH-UHFFFAOYSA-N 369.642 4.704 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 997097 JPXVKTYOELFGJJ-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA CCCCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 1852666 VWJZQQDAZVMVMW-UHFFFAOYSA-N 353.871 4.710 0 50 FJAA COc1cccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)c1 2415322 OFJFMTOFQXVXOP-UHFFFAOYSA-N 364.474 4.826 0 50 FJAA Cc1cc(OCc2c(F)cccc2F)c2c3c(c(=O)oc2c1)CCCC3 2850825 JGFGZVASTRDLBR-UHFFFAOYSA-N 356.368 4.837 0 50 FJAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1nnc(C(C)(C)C)s1 4819922 XLMAUWYROBBJTQ-UHFFFAOYSA-N 367.902 4.595 0 50 FJAA O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccc(F)c1 4843478 GYLHRPCICRBADU-UHFFFAOYSA-N 367.767 4.935 0 50 FJAA Cc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3ccccc3n2)cc1 6788600 LYANIJCEENCBRM-UHFFFAOYSA-N 356.429 4.504 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 11820757 BAASLYUZRXOHEG-LJQANCHMSA-N 364.876 4.983 0 50 FJAA CCCOc1ccc([C@](O)(CCN2CCCCC2)c2ccc(C)cc2)cc1 15836992 XXSXPVUITMQTJP-DEOSSOPVSA-N 367.533 4.896 0 50 FJAA Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)cc1 20201663 QCPURNUUWMOOHE-OAQYLSRUSA-N 363.461 4.911 0 50 FJAA CCC[C@H]1CCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(Cl)ccc23)C1 20997738 GUGUAIPSGXRYCA-ZDUSSCGKSA-N 368.868 4.541 0 50 FJAA Oc1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 25559769 QOFFCTHEVIXSEA-YLJYHZDGSA-N 366.804 4.881 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1c(F)cccc1F)C2 55154887 IJMUUERAJGINND-UHFFFAOYSA-N 373.424 4.794 0 50 FJAA CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N(CC)CC)c2C)cn1 63870891 DVIZKIZBUUWNAA-UHFFFAOYSA-N 364.493 4.607 0 50 FJAA Cc1ccc(SCc2cc(=O)n3nc(C)c(-c4ccccc4)c3[nH]2)cc1 100129048 AXCLXSRLRLJJBN-UHFFFAOYSA-N 361.470 4.599 0 50 FJAA CC(C)(C)OC(=O)Nc1cc(Br)c(Br)s1 147752860 DPHMSSAQZWZVFM-UHFFFAOYSA-N 357.067 4.620 0 50 FJAA CC(C)CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 485006016 BKNGSYUCFPJZQM-OAHLLOKOSA-N 369.465 4.524 0 50 FJAA C[C@H](c1cccc2ccccc12)N(C)C(=O)c1ccccc1N1CCOCC1 823726785 NCIPJYXRLGOEKR-GOSISDBHSA-N 374.484 4.510 0 50 FJAA C[C@H](Nc1ncccc1C(=O)N1CCCC1)c1ccccc1C(F)(F)F 1159642027 RQZCUDGYIBFFSE-ZDUSSCGKSA-N 363.383 4.510 0 50 FJAA CCCN1CCC[C@@H](n2ccnc2-c2ccc(-c3ccc(OC)cc3)o2)C1 1857674661 RYAALKYOVDBDPC-GOSISDBHSA-N 365.477 4.866 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 671836 VFGLBJOBAVFWNG-RUDMXATFSA-N 372.396 4.749 0 50 FJAA CCOc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 862938 OKOFNKQONJSKBK-UHFFFAOYSA-N 372.424 4.824 0 50 FJAA CC(C)(C)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 1061908 UVQLKHFDTNVZME-UHFFFAOYSA-N 357.504 4.703 0 50 FJAA O=C(Nc1cccc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 1069149 MMHJVURMISRELR-UHFFFAOYSA-N 365.864 4.847 0 50 FJAA CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)Nc1ccccc1-2 1191407 GYNUZZYAJSADMA-MRXNPFEDSA-N 370.865 4.807 0 50 FJAA O=C(Nc1ccccc1)Nc1nnc(CSCc2ccccc2F)s1 1214851 JDMBPMFTNAKPSL-UHFFFAOYSA-N 374.466 4.755 0 50 FJAA Cc1ccc(N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 1452610 OQJUQMGFZNNXTC-MRXNPFEDSA-N 371.695 4.842 0 50 FJAA C[C@@H](Oc1cccc(NC(=O)c2cccs2)c1)C(=O)c1ccccc1 2845494 ZYYCYVSJFKHGKM-CQSZACIVSA-N 351.427 4.651 0 50 FJAA O=C(c1ccccc1)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 4840942 KRRHSCVGRAFKMI-UHFFFAOYSA-N 356.381 4.547 0 50 FJAA Cc1c([C@H](C)NC2CCSCC2)cnn1-c1cccc2ccccc12 11818558 DLNWKXHWYBXLNX-HNNXBMFYSA-N 351.519 4.880 0 50 FJAA CC[C@@H](Nc1ncnc2sc(C(=O)NC3CC3)c(C)c12)c1cccs1 14886947 HNFLZEVLBQNFLL-GFCCVEGCSA-N 372.519 4.517 0 50 FJAA O[C@H](COCc1ccc(Cl)cc1)CSc1nc2ccccc2s1 23114734 LRPKSOPDEKEBQQ-CQSZACIVSA-N 365.907 4.620 0 50 FJAA CC(C)c1noc(CCn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)n1 65491882 JEESOANFEXPVPG-UHFFFAOYSA-N 374.444 4.672 0 50 FJAA O=C(c1cscn1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71738618 YLBPPASVYVZUTM-CQSZACIVSA-N 368.424 4.647 0 50 FJAA COc1cccc2ccc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc12 95515422 VUCZFHNCTYPIOO-INIZCTEOSA-N 358.445 4.504 0 50 FJAA Cc1ccccc1[C@@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C1CC1 1875321307 CNPNBSWLAUBSJA-IBGZPJMESA-N 370.399 4.959 0 50 FJAA O=C(Nc1ccnn1CC1CC1)[C@H](CCc1ccccc1)c1ccccc1 1875338115 NVUFRKSVKSRGGX-OAQYLSRUSA-N 359.473 4.648 0 50 FJAA O=C(NC(=S)OCc1ccccc1Cl)c1ccc(Cl)cc1Cl 628965 DDOJNQSBCPQLLB-UHFFFAOYSA-N 374.676 4.878 0 50 FJAA CCc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 670334 GKALAJWIZPNKRE-UHFFFAOYSA-N 352.459 4.698 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl 1183591 YLGCFHYFZWMHNM-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA CC(C(=O)Oc1cc(=O)oc2ccccc12)(c1ccccc1)c1ccccc1 1812563 NEOVOZZXIRNPTQ-UHFFFAOYSA-N 370.404 4.705 0 50 FJAA O=c1c2ccccc2nc(SCc2ccccc2F)n1C1CCCC1 2830671 GINOYSYDUZTPCO-UHFFFAOYSA-N 354.450 4.943 0 50 FJAA COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 2852433 SJRKJMHCFVZBAD-LBPRGKRZSA-N 363.866 4.554 0 50 FJAA O=C(CCCc1ccccc1)Nc1cccc(-c2cn3ccccc3n2)c1 4809619 PMBHURIUZBDHCF-UHFFFAOYSA-N 355.441 4.963 0 50 FJAA Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 11821048 PFXZMWWSACIWJI-LJQANCHMSA-N 350.506 4.782 0 50 FJAA CNc1ccnc(NCc2cc(C)cc3c(C)c(-c4ccccc4)[nH]c23)n1 71753213 RMRZWAOYNXGNAS-UHFFFAOYSA-N 357.461 4.896 0 50 FJAA O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1c1nc(-c2ccccc2)no1 82115593 BLZWIEGVMUHJFG-INIZCTEOSA-N 371.799 4.506 0 50 FJAA O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 263618955 WGMKRLUNCOFJNZ-MRXNPFEDSA-N 371.799 4.506 0 50 FJAA CC(=O)Nc1ccc(-c2csc(-c3ccc(OC(C)C)nc3)n2)cc1 446144590 MQHKFCHXSRSIIS-UHFFFAOYSA-N 353.447 4.618 0 50 FJAA C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1OC(F)F 481594024 DAFHVOXHYKWNMM-SNVBAGLBSA-N 364.779 4.914 0 50 FJAA O=C(Nc1ccc(-c2cnco2)cc1)c1cccnc1Oc1ccccc1 2325713433 DLWNIAFZIQIGTB-UHFFFAOYSA-N 357.369 4.781 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NC[C@@H]1CCCCN1CCC 2325863105 VYZJQNPEECLEJP-KRWDZBQOSA-N 356.510 4.770 0 50 FJAA CC1(C)[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@]1(C)C(=O)O 705227 ULXQSQPKEUJAQQ-XMSQKQJNSA-N 366.461 4.896 0 50 FJAA COc1ccc(-c2nc(=S)c3c(n2Cc2cccnc2)CCCC3)cc1 944003 JCJYNCKETALIBR-UHFFFAOYSA-N 363.486 4.610 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1 1158265 FNQSOJKHAYSTRQ-PKNBQFBNSA-N 360.369 4.748 0 50 FJAA O=C(Nc1ccc(C(F)(F)F)cc1Br)c1ccccc1F 1160515 JYVOFIHKJCUBPB-UHFFFAOYSA-N 362.120 4.859 0 50 FJAA CCc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)cc1 1166441 REAQXYVQFRVVFD-UHFFFAOYSA-N 362.267 4.646 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(Cl)cc2C)ccc1Br 1215852 BYRMIOZDYKNCJF-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(F)cc1 5046926 YWHNHSMSBYLHBF-UHFFFAOYSA-N 367.767 4.935 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1 14966004 KOWUBILLUPXTLM-GOSISDBHSA-N 357.519 4.720 0 50 FJAA Cn1c(-c2c(-c3ccccc3)ncn2CC2CCOCC2)nc2ccccc21 65397167 SJWLBZSYQOXWOB-UHFFFAOYSA-N 372.472 4.530 0 50 FJAA Cn1c(-c2ccc(CN3CCC[C@H]3c3ccccn3)o2)nc2ccccc21 72145999 DSRWSANXERJDNQ-FQEVSTJZSA-N 358.445 4.565 0 50 FJAA NCC[C@@H]1CCCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C1 96163147 OYNGRBLYDJPGEN-HNNXBMFYSA-N 357.885 4.600 0 50 FJAA 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 257349966 SXJDNUFKBLXQHF-HUUUMKQBSA-N 362.554 4.769 0 50 FJAA CSc1ccc(-c2cccc(C(=O)N3CCC[C@@H](C(C)(C)O)C3)c2)cc1 299755381 AYSOWKMVPASVOG-LJQANCHMSA-N 369.530 4.699 0 50 FJAA CCCCOc1ccccc1C(=O)Nc1cccc(N2C(=O)CC[C@H]2C)c1 952985378 BJUSLTYTWKDIJG-MRXNPFEDSA-N 366.461 4.633 0 50 FJAA CCc1ccc(O[C@@H](C)c2nnc(NC(=O)CCC(F)(F)F)s2)cc1 1875244878 YIHWHOLGPHXCQZ-JTQLQIEISA-N 373.400 4.522 0 50 FJAA Cc1ccc(F)cc1NC(=O)CSc1ccc(Br)cc1 637695 JBCLAXHUHMEZBI-UHFFFAOYSA-N 354.244 4.627 0 50 FJAA CCOc1cccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c1 672135 AJNNVLSASXPGAE-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA Cc1cccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c1 826818 QIDXFBZQDIEOTD-UHFFFAOYSA-N 370.452 4.939 0 50 FJAA O=C(Nc1cc(Cl)ccc1OC(=O)c1cccs1)c1cccs1 863582 KORUOTOJWDEDGP-UHFFFAOYSA-N 363.847 4.935 0 50 FJAA COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 917706 KLPFCOULMCATNK-UHFFFAOYSA-N 366.417 4.678 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c(C)c1 1109144 GNTPQEHUROGOPT-UHFFFAOYSA-N 360.482 4.682 0 50 FJAA O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 1175648 NIXKHMFOWNKKTK-UHFFFAOYSA-N 362.335 4.940 0 50 FJAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CC[C@H](C)C2 1198088 ZTCYGHBQYOAEOK-LBPRGKRZSA-N 356.491 4.782 0 50 FJAA COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c(OC)c1 2999301 AYDREGLFLVEKHL-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA O=C(CSc1nc2ccccc2o1)NCCC12CC3CC(CC(C3)C1)C2 4126754 XUONJQIKUALRSZ-UHFFFAOYSA-N 370.518 4.643 0 50 FJAA O=C(NC1CCCC1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 4820385 LBIJCFIZJZNXOE-UHFFFAOYSA-N 367.836 4.729 0 50 FJAA Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2n1 6211247 QFXIVROWJXRJQV-UHFFFAOYSA-N 368.241 4.618 0 50 FJAA Cn1ncc(Cl)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 20427469 NJTHGDSRRJCMGZ-UHFFFAOYSA-N 362.216 4.772 0 50 FJAA COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)on2)c1 21790855 SFLZBQINJRUKCK-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA CC[C@@H](C)Oc1ccccc1CNCc1cnc(-c2cccc(C)c2)nc1 55042370 YOJYKSQWOLAPGP-GOSISDBHSA-N 361.489 4.919 0 50 FJAA CCCn1cc(-c2cc(C(=O)N(C)C(C)C)c3cc(CC)ccc3n2)cn1 63833655 MGKVGBNRSHPEJG-UHFFFAOYSA-N 364.493 4.551 0 50 FJAA C[C@](O)(c1cccc(Br)c1)[C@@H](c1ccccc1)c1ccccn1 71767173 SRVOWSGHWXFHJP-PMACEKPBSA-N 368.274 4.884 0 50 FJAA C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181097403 FWGPZOTZTXKKGT-JSGCOSHPSA-N 370.403 4.910 0 50 FJAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 184520535 JDFOUXGGWPVDCL-JTQLQIEISA-N 370.877 4.906 0 50 FJAA Cc1ccc(Sc2ccc(CN3CCC[C@@H]3c3n[nH]c(C)n3)o2)cc1 215197216 PRLPYEHBDGAVPM-QGZVFWFLSA-N 354.479 4.503 0 50 FJAA COc1ccccc1OC1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 216357804 WUZBUDVVTJIJPS-FQEVSTJZSA-N 371.477 4.573 0 50 FJAA Cc1c(C(=O)N[C@H]2CCCc3sc(Cl)cc32)oc2c1C(=O)CCC2 329201856 BZIBUPGKZDGSIB-NSHDSACASA-N 363.866 4.629 0 50 FJAA O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CC[C@@H]2CCC[C@@H]21 333443341 MGOHCICCVHEFCY-LRDDRELGSA-N 359.376 4.558 0 50 FJAA COc1ccc(-c2ccc(-c3nccn3CC[C@@H]3CCCOC3)o2)cc1 1857674741 WLVSAHUWKOXSKR-INIZCTEOSA-N 352.434 4.635 0 50 FJAA C=CC(=O)N(Cc1oc(CC)nc1C)Cc1sc2ccccc2c1C 1875386256 LWLURIFITFQGQO-UHFFFAOYSA-N 354.475 4.783 0 50 FJAA O=C(Oc1ccc(OC(=O)c2ccccc2)c(Cl)c1)c1ccccc1 639206 UQTVAOCANYYFEL-UHFFFAOYSA-N 352.773 4.778 0 50 FJAA O=C1C[C@@H](c2cccc3ccccc23)Sc2nc(-c3ccccc3)nn21 719381 PWTVNPSJZORKFM-SFHVURJKSA-N 357.438 4.976 0 50 FJAA O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2cccnc12 790028 FPDKZCQCFRQQMW-UHFFFAOYSA-N 368.392 4.852 0 50 FJAA COc1ccc(C(=O)Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1 955733 BDSAKWAUERDWLL-UHFFFAOYSA-N 371.396 4.601 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 987582 YOMWLPJTQRHOCP-UHFFFAOYSA-N 358.157 4.649 0 50 FJAA Cc1cc(OCc2nc(-c3ccccc3)no2)c(C)cc1Br 1066746 MQGLAQHKIVKMOI-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1nc2cc(Cl)c(C)cc2s1 1114676 KSSXSFRLAHBEPJ-UHFFFAOYSA-N 362.838 4.528 0 50 FJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 1142288 YLFILMBCWVDYJZ-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1 1729524 VKLJPGAHSLIQKH-TZIWHRDSSA-N 352.865 4.731 0 50 FJAA in-vitro COc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)cc1OC 2853869 KQPKVRVHSFCFJH-LLVKDONJSA-N 368.355 4.605 0 50 FJAA CCOc1ccccc1OCCOCCOc1cc(C)c(Cl)c(C)c1 2984857 YOJZYPCSDLHQOY-UHFFFAOYSA-N 364.869 4.830 0 50 FJAA CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)C[C@@H](c1cccs1)C2 4488748 XTRDJZYNWYBXLO-AWEZNQCLSA-N 365.454 4.833 0 50 FJAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc1C 12306691 IGHGJSNFCFMHKF-LJQANCHMSA-N 361.489 4.512 0 50 FJAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 35561763 FCDLQPZTXBYPHN-IBGZPJMESA-N 366.461 4.915 0 50 FJAA Cc1cccnc1NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 44918680 YZJRVZLWDUOMFZ-UHFFFAOYSA-N 371.440 4.562 0 50 FJAA Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1Cc1cc(C(C)(C)C)[nH]n1 67674177 SCKKWKIRBSVVJF-UHFFFAOYSA-N 374.492 4.626 0 50 FJAA CCOc1c(Cl)cccc1NC(=O)N(Cc1cccc(O)c1)C1CC1 97797201 BOZMYVIOTYBNSE-UHFFFAOYSA-N 360.841 4.641 0 50 FJAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1cccc2cccnc12 231415518 XIUZYLGKNOWAAG-UHFFFAOYSA-N 368.241 4.618 0 50 FJAA Cc1nccn1CC[C@H]1CCCCN1Cc1cc(C2CCCCC2)no1 244734788 NLVXMIJAKQRKJI-LJQANCHMSA-N 356.514 4.672 0 50 FJAA O=C(O)c1ncc(C(F)(F)F)cc1Oc1ccc(Cl)cc1Cl 390822284 XNBKKVIMQUAGSL-UHFFFAOYSA-N 352.095 4.898 0 50 FJAA COc1ccc(Cl)cc1-c1cccc(C(=O)NCCC[C@H]2CCOC2)c1 426623213 LSEBODDSKSBAQQ-HNNXBMFYSA-N 373.880 4.562 0 50 FJAA C=CC(=O)Nc1cc(NC(=O)c2ccc(-c3ccco3)s2)ccc1F 765798686 AHJDGQHCNSQFMM-UHFFFAOYSA-N 356.378 4.524 0 50 FJAA Cc1cccc(Cc2cnc(NC(=O)COc3ccc(Cl)cc3)s2)c1 637882 JGXKBZFUJNBRIT-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA CC[C@H](C)OC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCC2 689085 JQVMSUVIIIBPIT-NSHDSACASA-N 361.463 4.736 0 50 FJAA O=C(Nc1ccc(Cl)cc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 1126223 YASGTJZPIAFKRT-OAHLLOKOSA-N 369.635 4.779 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 1177785 DCPUJCSBVUGOEE-UHFFFAOYSA-N 357.413 4.556 0 50 FJAA O=C(Cc1cccs1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 1305464 XQNHGHWZHVYEFG-UHFFFAOYSA-N 361.426 4.646 0 50 FJAA Cn1nc(-c2ccccc2)c(CO)c1Sc1cccc(C(F)(F)F)c1 1388788 AWHHXKDKURXYOF-UHFFFAOYSA-N 364.392 4.749 0 50 FJAA Clc1cc(Br)ccc1OCc1nc(-c2ccccc2)no1 2366208 DOTKOZOHLZOXQJ-UHFFFAOYSA-N 365.614 4.732 0 50 FJAA COc1cc(C=O)ccc1OCCCOc1ccc(C)cc1C(C)(C)C 2985605 RRTJZEAVNCLGHR-UHFFFAOYSA-N 356.462 4.962 0 50 FJAA COc1ccccc1-c1cc(C(=O)Nc2c(Cl)cccc2Cl)no1 4880839 LYKMNBYYCFEZEM-UHFFFAOYSA-N 363.200 4.909 0 50 FJAA COc1cccc(-n2c([C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]c2=S)c1 5423640 HYWPIDHLCBKOFI-CVEARBPZSA-N 357.866 4.863 0 50 FJAA Cc1ccccc1-c1nc(CSc2nnc(-c3ccco3)n2C)cs1 6504861 IHDOWPKZAPOAQC-UHFFFAOYSA-N 368.487 4.799 0 50 FJAA COc1cccc(-c2ccccc2NC(=O)C2CCN(CC(C)C)CC2)c1 11839217 PZVHAVUYQDNXHC-UHFFFAOYSA-N 366.505 4.669 0 50 FJAA FC(F)(F)c1ccc(CNc2nncc(-c3ccc(Cl)cc3)n2)cc1 12582582 JJKRZJURHKVGPQ-UHFFFAOYSA-N 364.758 4.823 0 50 FJAA Cc1nc(-c2ccc(CN(C)[C@H]3CCCc4ccccc43)cc2)[nH]c(=O)c1C 55100416 QPIJZJWDSVYYIR-QFIPXVFZSA-N 373.500 4.563 0 50 FJAA Cc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(-c4ccccc4)on3)c2c1 77423951 FARNZJQWZFOMNS-UHFFFAOYSA-N 371.440 4.779 0 50 FJAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3sc(C(C)C)nc3C)C2)c1 91269579 KMAMPIHBNXYVHK-QGZVFWFLSA-N 372.534 4.815 0 50 FJAA CC(C)(C)c1ccc(-c2cc3nc(Cc4ccccc4)cc(O)n3n2)cc1 138528441 OOXGNOMSOCUKNJ-UHFFFAOYSA-N 357.457 4.990 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 169754572 RMKJYBVTFWMUBP-KRWDZBQOSA-N 367.836 4.676 0 50 FJAA CC(C)Cn1ccc2cc(NC(=O)c3cn(C)nc3-c3ccoc3)ccc21 225720443 YCHUXZLSYYNCTN-UHFFFAOYSA-N 362.433 4.543 0 50 FJAA Cc1cc(CN(C)C(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)on1 426685476 XTOPEUNGZRITQM-UHFFFAOYSA-N 374.440 4.515 0 50 FJAA Cc1cccn2cc(C(=O)N[C@@H](C)c3ccc(-c4cccnc4)cc3)cc12 1875303450 YHKLGKYVRWEFGB-KRWDZBQOSA-N 355.441 4.801 0 50 FJAA O=C(Nc1cn(CC2CC2)cn1)[C@H](CCc1ccccc1)c1ccccc1 1875337850 HIIUWEDGSZJVOP-OAQYLSRUSA-N 359.473 4.648 0 50 FJAA Cc1cccc2nc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)[nH]c12 1875354941 UPUZJLUOIUTJRB-UHFFFAOYSA-N 369.490 4.720 0 50 FJAA Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 644146 AMOAUJZVXKOCOI-KRWDZBQOSA-N 354.475 4.560 0 50 FJAA Clc1ccc(-n2nnnc2SCc2ccc(Cl)cc2Cl)cc1 693488 SVEJSQWYKBJZHX-UHFFFAOYSA-N 371.680 4.915 0 50 FJAA COc1ccc(OC)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 1115464 MYVXAISFCMQXAN-XBXARRHUSA-N 352.217 4.663 0 50 FJAA COC(=O)[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCCC1 1122221 XQFQBANTSCLMQJ-OAHLLOKOSA-N 358.265 4.692 0 50 FJAA COc1cc(C)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 2630093 WBUSHFBAANOAFU-UHFFFAOYSA-N 363.413 4.813 0 50 FJAA Cc1ccc(CSCc2nnc(S)n2-c2ccc(C)cc2C)cc1 6400763 HKUQRGFRTJOMTE-UHFFFAOYSA-N 355.532 4.915 0 50 FJAA COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)c1 15684906 LHKPRZAYVNPCEE-GXDHUFHOSA-N 369.829 4.908 0 50 FJAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 18142698 HQFLDQCAEHVTOY-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1 20293902 SUUQGAMPRHWMAT-MRXNPFEDSA-N 371.406 4.874 0 50 FJAA CC(C)c1nccc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cn2cccn2)n1 65381250 YEDMWKVADQMABP-KRWDZBQOSA-N 372.476 4.588 0 50 FJAA c1ccc(Cn2ccnc2[C@@H]2CCCN(c3ccc4ccccc4n3)C2)cc1 82134239 VNHIIGZWHPYZBQ-OAQYLSRUSA-N 368.484 4.864 0 50 FJAA CSc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775680 RJQHRJLKOSVAMG-UHFFFAOYSA-N 361.430 4.659 0 50 FJAA Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1Oc1ccncc1 225390377 RVRZAEXWEAVZQY-UHFFFAOYSA-N 355.397 4.983 0 50 FJAA CC1(C)[C@H]2c3c(cc(O)c(C(=O)c4ccccc4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 253388699 BQIVXBUAUNSLAJ-HFZRNFMZSA-N 364.441 4.630 0 50 FJAA biogenic,in-vitro Cc1sc2nc([C@@H]3CCO[C@@H](C)C3)nc(O)c2c1-c1ccc(F)cc1 253536903 OACIQSTYIQCMRW-GXFFZTMASA-N 358.438 4.794 0 50 FJAA CC1(C)C(O)=Nc2ccc(C(=O)N3CCCCC[C@H]3c3ccncc3)cc21 330267144 QIXJGUBDDRZBSZ-IBGZPJMESA-N 363.461 4.718 0 50 FJAA Clc1ccc2nc(COc3ccc(Oc4ccncc4)cc3)cn2c1 2325739413 XCJPXBIHLITLFQ-UHFFFAOYSA-N 351.793 4.754 0 50 FJAA CC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 1109913 POOAABXRNRPFEN-UHFFFAOYSA-N 353.487 4.829 0 50 FJAA C[C@@H](NC(=O)c1ccccc1NC(=O)Nc1ccccc1)c1ccccc1 1148740 VSYLZNWGTSCULJ-MRXNPFEDSA-N 359.429 4.822 0 50 FJAA CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 1175976 STHAIGZSYIOUPV-FUHWJXTLSA-N 350.462 4.500 0 50 FJAA C[C@@H]1CCc2c(C(=O)Nc3cccc(Br)c3)csc2C1 2860511 PEQLLOCOYQFENY-SNVBAGLBSA-N 350.281 4.888 0 50 FJAA C[C@H](NC(=S)NCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4693938 YKHYQRJFDYERMM-UGFPPAMCSA-N 362.970 4.909 0 50 FJAA CC(C)COc1cccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 4990741 DKLCOIRSADNPQN-UHFFFAOYSA-N 366.505 4.960 0 50 FJAA Cc1cccc(Cc2cnc(NC(=O)COc3ccc(C)cc3C)s2)c1 5017040 IWFIUHXBEFDQTO-UHFFFAOYSA-N 366.486 4.677 0 50 FJAA O=C(Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)c1ccco1 6730505 QLMGRQGISIHATB-VAWYXSNFSA-N 357.369 4.752 0 50 FJAA CN(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 70136282 IHQNAEPEGBYGKO-UHFFFAOYSA-N 369.100 4.844 0 50 FJAA O=C(c1cnc(-c2ccco2)s1)N1CCSc2ccc(Cl)cc21 171443968 OARGCKXHOAGDKD-UHFFFAOYSA-N 362.863 4.809 0 50 FJAA C[C@H](CC1CCCCC1)C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 464433289 FDONTYZHKJPDBK-YLJYHZDGSA-N 351.494 4.620 0 50 FJAA O=C(Nc1cccc(-c2cc[nH]n2)c1)c1conc1-c1ccc(Cl)cc1 1875264621 QQZWFOPOZGNCFP-UHFFFAOYSA-N 364.792 4.637 0 50 FJAA Cc1cc(Br)cc(Cl)c1C(=O)N[C@H]1CCc2ccccc21 2325727187 AFEPVLDGRPXIQH-HNNXBMFYSA-N 364.670 4.828 0 50 FJAA O=C1CCc2cc(NC3CC(CF)(CF)C3)ccc2N1CC1CCCC1 2325756281 VUKFQAASXKPERG-UHFFFAOYSA-N 362.464 4.656 0 50 FJAA Cc1ccc(S(=O)(=O)N2c3ccccc3Sc3ccccc32)cc1 777982 LPRPWRDPVGUTPG-UHFFFAOYSA-N 353.468 4.987 0 50 FJAA COC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 955556 YSWZZBKTEVZBMY-VIFPVBQESA-N 364.879 4.665 0 50 FJAA O=C(CCc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 1052568 AHGAPYMYKFSTOE-UHFFFAOYSA-N 356.878 4.959 0 50 FJAA O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccs1 1172924 DIZIYEIDKQBBCB-UHFFFAOYSA-N 364.801 4.547 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 1177590 YSUWXSCORCLGBN-UHFFFAOYSA-N 355.397 4.585 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 1204496 IROANNXFOSRHLH-UHFFFAOYSA-N 363.866 4.638 0 50 FJAA CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1 2812407 CWCJUFDNTJJHCL-UHFFFAOYSA-N 355.441 4.745 0 50 FJAA Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCOc1ccc(F)cc1 2827084 CSMMWQXERPMZOZ-UHFFFAOYSA-N 365.326 4.913 0 50 FJAA Cc1cc(=O)n2nc(Cc3ccccc3)c(-c3cccc4ccccc34)c2[nH]1 5612130 TVGXVESCOORCJE-UHFFFAOYSA-N 365.436 4.742 0 50 FJAA CC[C@H](NC(=O)Nc1sc(C)cc1C(=O)OC)c1ccc(Cl)cc1 13330218 HHLALEVFGVRAQC-AWEZNQCLSA-N 366.870 4.769 0 50 FJAA Cc1nn(CC(=O)O)c2nc(-c3cccc4ccccc34)cc(C(F)F)c12 20615341 QRIPVWVUUACSCV-UHFFFAOYSA-N 367.355 4.582 0 50 FJAA Cc1ccc(C2(O)CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nc1 71315023 SRVSPKRHVYVPPJ-UHFFFAOYSA-N 374.484 4.666 0 50 FJAA O=C(c1ccc(-c2cccnc2)nc1)N1CCC[C@H](c2ccccc2)CC1 71762498 VGGOQESWCZNIHF-IBGZPJMESA-N 357.457 4.554 0 50 FJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3conc3-c3ccccc3)[nH]c2c1 82109452 HGIMJVMUHWGTSF-IBGZPJMESA-N 372.428 4.504 0 50 FJAA Cc1nc([C@@H](C)N(C)CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 244796034 RRSQSPPCCFPPOS-SNVBAGLBSA-N 369.893 4.574 0 50 FJAA CCc1cccc(CC)c1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O 245380905 TXLNPMJVWKULQQ-PWRODBHTSA-N 361.485 4.885 0 50 FJAA O=C(c1ccc2scnc2c1)N1CCCC[C@H]1CCc1cccs1 952962575 GQADSPGBOBUINS-HNNXBMFYSA-N 356.516 4.985 0 50 FJAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccoc1C 655967 JCLWGYVHXWLYTK-UHFFFAOYSA-N 373.405 4.885 0 50 FJAA O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Br)o1 1050631 HQQJPMDLXCJWKU-UHFFFAOYSA-N 369.646 4.548 0 50 FJAA CCCc1sc(NC(=S)Nc2ccccc2)c(C(=O)OCC)c1C 1111453 ZYBAQKJNGICZGQ-UHFFFAOYSA-N 362.520 4.995 0 50 FJAA CC(C)c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 1112767 OOKHNIKTDFDHSF-UHFFFAOYSA-N 365.498 4.878 0 50 FJAA CC(C)(C)c1ccc(OCC(=O)NC2CCCCC2)c(Br)c1 1113219 MDPAYRMLLTZBIX-UHFFFAOYSA-N 368.315 4.574 0 50 FJAA CCOc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 1134651 NFGVINIWJFKAFW-UHFFFAOYSA-N 360.413 4.590 0 50 FJAA Fc1cccc(Cl)c1Cc1noc(-c2ccccc2Br)n1 1212935 AYPYDJRVLZGZLU-UHFFFAOYSA-N 367.605 4.882 0 50 FJAA O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1C1CC1 2802289 OUOQZYXKDFEIBB-UHFFFAOYSA-N 360.841 4.816 0 50 FJAA C[C@@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)CCCC2 4916818 PPJKVBQGIMJYBO-CYBMUJFWSA-N 358.279 4.819 0 50 FJAA Fc1ccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)cc1 13330912 QBGGIMXWKGCQRL-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA C[C@@H]1Cc2ccccc2N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 15023006 YNTDVDRZBUZHJM-XMSQKQJNSA-N 359.469 4.545 0 50 FJAA CC(C)c1cc(C(=O)N(C)Cc2sc3ccccc3c2Cl)n(C)n1 82096336 FTOYRHUZXYOQFN-UHFFFAOYSA-N 361.898 4.684 0 50 FJAA Cc1cc(C)cc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 648379 AWEXFOKWMZWMRE-UHFFFAOYSA-N 357.841 4.664 0 50 FJAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1Br 716770 RYEPRVMEHVMEJN-UHFFFAOYSA-N 367.246 4.687 0 50 FJAA COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 782903 QOKOXODMRNHHOK-UHFFFAOYSA-N 357.793 4.870 0 50 FJAA Cc1ccccc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 956567 VANXTDFFLFBARS-UHFFFAOYSA-N 350.418 4.621 0 50 FJAA CCSc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1 1010424 QZEXGQIDTNEJKU-UHFFFAOYSA-N 369.515 4.688 0 50 FJAA Cc1sc(NC(=O)c2cccs2)c(C(=O)NC2CCCCC2)c1C 1055557 WDNQPVSYTXUPCF-UHFFFAOYSA-N 362.520 4.741 0 50 FJAA CCOc1ccccc1OCCOc1c(C)cc(C)cc1Br 2985668 GINUAHDRPIGEKV-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA S=c1n(-c2ccccc2)nnn1C1c2ccccc2Oc2ccccc21 4492452 FUSIZWSZHJIBIH-UHFFFAOYSA-N 358.426 4.542 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2cccc(F)c2)cc1 5052706 MGXKVEWXLPXQGG-STZFKDTASA-N 373.383 4.749 0 50 FJAA Cc1ccnc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 5068953 ORADLVIEUBBWRD-UHFFFAOYSA-N 357.207 4.665 0 50 FJAA Cc1ccc2nc([C@H]3CCCN3C(=O)C3=Cc4ccccc4OC=C3)[nH]c2c1 77340421 IFWUSDCHRKTMFQ-HXUWFJFHSA-N 371.440 4.525 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)cc1 77540411 LUELDAUWANZWEM-FQEVSTJZSA-N 374.887 4.908 0 50 FJAA O=C(O)C(F)(F)[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)c2ccccc2)C1 902149745 OEQQJJCKCMFOCG-AABGKKOBSA-N 373.443 4.839 0 50 FJAA Cc1nc(COc2ccc(CN3CCOCc4ccccc43)cc2)cs1 952846142 IIKBLFPKHGYSOT-UHFFFAOYSA-N 366.486 4.567 0 50 FJAA Cc1ccc(NC2(C(=O)N(Cc3cccnc3)C3CC3)CCCCC2)cc1 1506397248 QUEXTLDGGZZKKC-UHFFFAOYSA-N 363.505 4.696 0 50 FJAA Cc1ccc(N2CCC(N(C)Cc3cc(-c4cccs4)n[nH]3)CC2)cc1 1506408994 OBXFSUWVHMKMNU-UHFFFAOYSA-N 366.534 4.547 0 50 FJAA O=C(NCc1ccc2sccc2c1)C1CC(F)(c2cccc(F)c2)C1 2325721428 UKWRYYXRHUKQQB-UHFFFAOYSA-N 357.425 4.932 0 50 FJAA O=C(NCc1ccccc1)c1cccc(COc2cccc(Cl)c2)c1 676075 CFTPVXSVWRNDAG-UHFFFAOYSA-N 351.833 4.849 0 50 FJAA COc1ccc(-c2csc(NC(=O)CCCc3ccccc3)n2)cc1 1088174 IHGRMYRQVGJEAM-UHFFFAOYSA-N 352.459 4.780 0 50 FJAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1Cl 1121043 CRQNCRPZRRGQKG-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA Cc1cccc(N2C(=O)C[C@]3(CC3(c3ccccc3)c3ccccc3)C2=O)c1 1163543 GOEDIBNNLOZSII-DEOSSOPVSA-N 367.448 4.635 0 50 FJAA Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CO 1196000 OVZBPVWYMUZMFO-HXUWFJFHSA-N 357.453 4.637 0 50 FJAA CCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1OC 2417207 OFRLAWPOXKOTDN-UHFFFAOYSA-N 354.475 4.677 0 50 FJAA COc1ccccc1OCCCOc1c(C)cc(Br)cc1C 2985219 PYPNUKFDBKUSFO-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA Cc1ccc(C)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 8131288 VQJITXHTUKBABL-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 12866166 DDDLZPDXOOKGNX-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1ccc(NC(=O)c2sc3nc(C(F)F)cc(C)c3c2N)c(C)c1 12931471 QOBROIYZBIILSV-UHFFFAOYSA-N 361.417 4.994 0 50 FJAA O=C(c1cccc2cccnc12)N1CCCC[C@H]1CCc1ccc(O)cc1 63832826 WIBVFAMALWYPRP-IBGZPJMESA-N 360.457 4.568 0 50 FJAA O=C(Nc1cccc(Nc2cc(-c3cccc(Cl)c3)ncn2)c1)C1CC1 1458045166 IWWQCHYVOPZIBF-UHFFFAOYSA-N 364.836 4.889 0 50 FJAA Cc1c(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCOCC3)ccc2ccccc12 1875344035 CCFAHWMYXRQYTD-FCHUYYIVSA-N 367.533 4.991 0 50 FJAA Cc1ccc(-c2nc(-c3nc(-c4n[nH]c5ccccc45)no3)cs2)cc1 1875347147 IXOBFQYPKFMBJR-UHFFFAOYSA-N 359.414 4.712 0 50 FJAA COc1cc(C=O)ccc1Oc1nc(-c2ccccc2)cc(C(F)(F)F)n1 812240 HWYQWOJXEYUNCA-UHFFFAOYSA-N 374.318 4.776 0 50 FJAA O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(F)(F)F 856759 AYFJVNHENUJBSZ-UHFFFAOYSA-N 352.337 4.577 0 50 FJAA Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 940123 KYLLYAHEJDBGIA-UHFFFAOYSA-N 366.413 4.518 0 50 FJAA biogenic CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(O)c1 948601 PWQUMTAOUZDLDL-UHFFFAOYSA-N 356.809 4.823 0 50 FJAA CCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)Nc1ccccc1-2 1009472 KHCHKGVLHWUSEW-INIZCTEOSA-N 370.865 4.807 0 50 FJAA CCCc1ccc(Oc2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1 1230859 BTKVNOZNOYURBA-UHFFFAOYSA-N 352.386 4.772 0 50 FJAA biogenic CC(C)(C)c1ccc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc1 2397149 RHDLCVYLYNTABD-JXMROGBWSA-N 364.518 4.762 0 50 FJAA O=Cc1cn(-c2ccc(F)cc2F)nc1-c1ccc(Cl)cc1Cl 2541807 OYPPIRYGKHRYDT-UHFFFAOYSA-N 353.155 4.937 0 50 FJAA Fc1ccc(CSc2nc3cc(Br)cnc3[nH]2)c(Cl)c1 5093772 GOSBVYWXDJUKRJ-UHFFFAOYSA-N 372.650 4.805 0 50 FJAA CCCc1ccc2oc(C(=O)N[C@@H](C)Cc3ncccc3C)c(C)c2c1 12207808 KJSVVJUCAAXQDE-HNNXBMFYSA-N 350.462 4.758 0 50 FJAA CCc1cc(CNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)on1 12709004 AHBIVZTUEGAECR-UHFFFAOYSA-N 363.465 4.749 0 50 FJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1ccsc1)C2 67741294 FUBQOMCZZGUUBM-UHFFFAOYSA-N 372.877 4.564 0 50 FJAA Cc1ccccc1[C@@H](NCc1nc2ccc(C)c(C)c2[nH]1)c1ccncc1 67947420 GHHSDQTYXJJEOB-QHCPKHFHSA-N 356.473 4.762 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(C)on2)c2ccc(C)c(C)c2n1 77422298 QYTCWISYVPWKPK-HXUWFJFHSA-N 363.461 4.824 0 50 FJAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1c[nH]nc1-c1cccc(F)c1 91321189 JDRNEEUADOTDLU-ZDUSSCGKSA-N 362.408 4.530 0 50 FJAA COc1c(F)cc(-c2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2)cc1F 426550992 CRRULGTVLFBOOG-CQSZACIVSA-N 359.416 4.903 0 50 FJAA COC[C@H](C)NC(=O)c1cccc(-c2ccc(-c3csc(C)n3)s2)c1 534653763 LSJUBDXKADDPGP-LBPRGKRZSA-N 372.515 4.612 0 50 FJAA CC1(C)CCN1C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 1875261802 VQOWWQJODIFDAM-UHFFFAOYSA-N 373.428 4.504 0 50 FJAA C=CC(=O)N(Cc1ccc2cc(OC)ccc2c1)C[C@@H]1Cc2ccccc21 1875386827 ZURRPZDNPPCKMD-NRFANRHFSA-N 357.453 4.703 0 50 FJAA C[C@@H](CC(F)F)NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 2325736624 UHHCTOXXIHDRNA-NSHDSACASA-N 364.358 4.638 0 50 FJAA CC(C)NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 673101 NAMWECGZFWPOHN-UHFFFAOYSA-N 369.262 4.803 0 50 FJAA O=C(CCNc1ccc(F)c(F)c1F)c1ccc(Br)cc1 732262 GOHWKTXBGTXXIU-UHFFFAOYSA-N 358.157 4.551 0 50 FJAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(Cl)cc2)c1 802334 VRHYDDKFSKYVFI-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA CCOc1cc(C(=O)N(CC)Cc2ccccc2)cc(OCC)c1OCC 1088643 GOPIENWNCKIXEW-UHFFFAOYSA-N 371.477 4.545 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2C)cc1OC 1838747 ASVQYRVRMNXFFX-UHFFFAOYSA-N 354.450 4.693 0 50 FJAA COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1F 2846425 ZOPGJBICZDYEOV-UHFFFAOYSA-N 359.466 4.575 0 50 FJAA CC(C)Cc1ccc(-c2cc(C(=O)O)n(-c3ccc(F)cc3F)n2)cc1 5977027 IIAYOTAGNKYUAW-UHFFFAOYSA-N 356.372 4.714 0 50 FJAA C[C@@H]1CCc2nc(NC(=O)Nc3ccccc3Br)sc2C1 13745376 XWACUMBXZPPDTJ-SECBINFHSA-N 366.284 4.674 0 50 FJAA Cc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19597035 IARWYJLWBNCZML-UHFFFAOYSA-N 370.496 4.542 0 50 FJAA Cc1noc(C)c1[C@H]1CCCN1Cc1cc(Br)ccc1F 21720121 BHDTZMYQJWLEDM-OAHLLOKOSA-N 353.235 4.530 0 50 FJAA CC(C)Cc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1 91325360 MIIKWVDCFJNJKK-UHFFFAOYSA-N 353.510 4.682 0 50 FJAA CC(C)n1ccnc1C1CCN(C(=O)c2cc3ccccc3s2)CC1 91848902 ACGCPHAQDCNUHN-UHFFFAOYSA-N 353.491 4.699 0 50 FJAA CC[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1nc(C(F)(F)F)cs1 194306764 USCBGSDDRPNFGX-NSHDSACASA-N 368.384 4.916 0 50 FJAA CCCc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)cc1 239165080 NKEVONKMIIRLDD-HBCHPYAZSA-N 369.505 4.510 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1 239433121 XFYUSPHRMLRBRL-RXVVDRJESA-N 362.454 4.999 0 50 FJAA Cc1cccc(SC2CCN(C(=O)NCc3cc(C(C)C)no3)CC2)c1 426621745 PSWZLNCEDOUUHE-UHFFFAOYSA-N 373.522 4.573 0 50 FJAA Oc1ccc(-c2noc([C@H](Oc3ccccc3)c3ccccc3)n2)c(F)c1 436874767 RITFSCPTCPOYBP-LJQANCHMSA-N 362.360 4.750 0 50 FJAA CO[C@H](c1ccccc1F)[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 1458275070 HDIVWEALCYGIPV-VLIAUNLRSA-N 364.424 4.518 0 50 FJAA O=C(c1ccnc(NCC2(c3ccc(Cl)cc3)CC2)c1)N1CCCCC1 1529186271 BDCNUAXZYWKBBV-UHFFFAOYSA-N 369.896 4.505 0 50 FJAA O=C(N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1)c1cc(O)nc2ccccc12 1875341001 CAINAEHOVHIIHG-DOTOQJQBSA-N 364.420 4.536 0 50 FJAA Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccsc1 2325708170 VUHXYCMOMKQWKD-UHFFFAOYSA-N 352.290 4.839 0 50 FJAA c1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnc3s2)cc1 632043 JLSWEJIMWGSBPU-UHFFFAOYSA-N 372.497 4.685 0 50 FJAA COc1ccc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 1120994 OLDFDTHJHSTXMH-UHFFFAOYSA-N 355.821 4.581 0 50 FJAA O=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 6456841 QZMOBYFDJQOYGU-UHFFFAOYSA-N 360.804 4.598 0 50 FJAA COc1ccc(/C=C\C(=O)Nc2c(C)cc(Br)cc2C)cc1 32634440 QYPDNYFBHYLHTR-TWGQIWQCSA-N 360.251 4.726 0 50 FJAA CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](C)O 33838917 JZSMZIOJUHECHW-WOQOMJGYSA-N 356.547 4.919 0 50 FJAA Cc1nc(CCCC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cs1 151747967 NGKAGOIMMARNRR-SFHVURJKSA-N 370.518 4.727 0 50 FJAA Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 154958213 ZVBYKIUBVFIPOJ-ZDUSSCGKSA-N 361.445 4.788 0 50 FJAA O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 252483577 FFKZHYRFVRGHPL-ZWKOTPCHSA-N 350.462 4.667 0 50 FJAA O=C(c1ccc(-c2cncnc2)cc1)N(Cc1ccccn1)C1CCCCC1 426612475 DCYFHSCVZCNUHH-UHFFFAOYSA-N 372.472 4.514 0 50 FJAA Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 641502 IKHGPWHRYZYOKP-JOCHJYFZSA-N 364.466 4.783 0 50 FJAA CC[C@]1(C)Cc2ccccc2-c2[nH]c(=S)n(Cc3ccccc3)c(=O)c21 1251126 VGNHIGSPEPFABB-JOCHJYFZSA-N 362.498 4.845 0 50 FJAA C[C@H](NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1)c1ccccc1 2836522 VEPLNCYVSUTOAM-ZDUSSCGKSA-N 368.820 4.676 0 50 FJAA COc1ccccc1CC(=O)Nc1cc2oc3ccccc3c2cc1OC 3524180 GIGBUNGVSKOAIP-UHFFFAOYSA-N 361.397 4.784 0 50 FJAA biogenic COc1ccccc1/C=C/CN1CCc2onc(-c3ccccc3F)c2C1 67895654 FQGBGUODMFFIDR-SOFGYWHQSA-N 364.420 4.561 0 50 FJAA Cc1c(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)[nH]c2ccccc12 91303936 JUSNULNEZWLETG-UHFFFAOYSA-N 372.472 4.681 0 50 FJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 95365832 SZJBVTDBUWLBMA-LJQANCHMSA-N 371.500 4.551 0 50 FJAA COc1ccccc1Oc1ccccc1NC(=O)N(C)C[C@H]1CCCCO1 96139136 QMDRAILHYHXDEL-MRXNPFEDSA-N 370.449 4.520 0 50 FJAA CCCC[Sn](CCCC)(CCCC)COCOC 169747716 MHKKJWZUBFCJSI-UHFFFAOYSA-N 365.146 4.995 0 50 FJAA O=C(NCC1(c2ccc(Cl)cc2)CCC1)N(Cc1cccnc1)C1CC1 171368522 GCXHFOZGBFJETP-UHFFFAOYSA-N 369.896 4.531 0 50 FJAA CN(Cc1ccc([C@H]2CCCO2)s1)Cc1ccccc1CN1CCCC1 215381249 XUDNVGUJXPIRGH-OAQYLSRUSA-N 370.562 4.827 0 50 FJAA Cc1nn(C)c(C)c1CN(Cc1ccc([C@H]2CCCCO2)s1)C1CC1 230466581 KJSPORMENIPDDF-LJQANCHMSA-N 359.539 4.505 0 50 FJAA CCN(Cc1ccc2[nH]ccc2c1)Cc1nc(O)c2c(C)c(C)sc2n1 242273576 YEADCTQYIXIHGD-UHFFFAOYSA-N 366.490 4.517 0 50 FJAA Cc1ccc2ncccc2c1CN1CCC[C@@H](c2nc(CC(C)C)no2)C1 952989435 QJRUSOCRNNXZQS-QGZVFWFLSA-N 364.493 4.504 0 50 FJAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1C[C@H]2CCCCC[C@@H]21 2325747193 IYLMZDAXBGVLJO-VGSWGCGISA-N 357.457 4.702 0 50 FJAA COc1ccc2c3c(c(=O)oc2c1OCc1ccccc1C)CCCC3 1050239 SNWFLCZUSAXERR-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA Cc1cccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 1166286 OZEOZCHTZYGVLX-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(Cl)(Cl)Cl 1184014 DRKVTJWKTXQMAP-UHFFFAOYSA-N 370.623 4.507 0 50 FJAA Cc1ccc(-c2ncc(-c3ccc(I)cc3)o2)cc1 1504931 LCLQBARINXAOCL-UHFFFAOYSA-N 361.182 4.922 0 50 FJAA Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(F)c(Cl)c3)ccc12 2852848 CPUHWEWCJGJYHH-UHFFFAOYSA-N 362.813 4.703 0 50 FJAA O=C(Cc1nc(-c2ccc(Br)cc2)cs1)Nc1ccccc1 2860449 FIBHFQKKRDJEDS-UHFFFAOYSA-N 373.275 4.754 0 50 FJAA C/C=C/c1ccc(OCCCCOc2ccc(C=O)cc2OC)c(OC)c1 2984371 WQTTZBCXTRLFCJ-QPJJXVBHSA-N 370.445 4.787 0 50 FJAA COc1cccc(-c2c[nH]nc2C2CCN(Cc3ccccc3C)CC2)c1 14983792 SAJCQMROHJSGKH-UHFFFAOYSA-N 361.489 4.773 0 50 FJAA COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12 19633400 ALZIAZHDRYIWPH-UHFFFAOYSA-N 366.892 4.824 0 50 FJAA Fc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)cc1 23339145 HAYMSSQYKMIBPV-QGZVFWFLSA-N 353.416 4.735 0 50 FJAA O=C(CN1CCc2ccccc2C1)N1c2ccccc2CCc2ccccc21 36001127 ZTSCFHHRCPCRIA-UHFFFAOYSA-N 368.480 4.508 0 50 FJAA CCCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N(C)CC)c2C)cn1 63846383 PTGPJTKREHCVMR-UHFFFAOYSA-N 364.493 4.607 0 50 FJAA CC(=O)N[C@H]1C[C@@H](c2coc(-c3ccccc3)n2)O[C@@H](C2CCCCC2)C1 65369901 HWWOCLUCMRBFGO-NRSPTQNISA-N 368.477 4.647 0 50 FJAA Cc1ccccc1[C@H](NCc1nc2ccc(C)c(C)c2[nH]1)c1ccncc1 67947418 GHHSDQTYXJJEOB-HSZRJFAPSA-N 356.473 4.762 0 50 FJAA Cc1ccc(-c2ccccc2CN2CCC([C@H](O)c3ccccn3)CC2)o1 97797764 LDBQSBZISFAVJT-QHCPKHFHSA-N 362.473 4.596 0 50 FJAA Fc1ccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 101086298 UHJUJGBPJDGBCV-MRXNPFEDSA-N 361.207 4.780 0 50 FJAA Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)N1C[C@H](C)CC[C@H]1C 170652451 JBYBZOKNSGLKKF-HUUCEWRRSA-N 352.482 4.710 0 50 FJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc2cc[nH]c2c1 194242251 KJHJPWCGNJTSKK-GOSISDBHSA-N 351.454 4.657 0 50 FJAA CCOC1=N[C@@H]2Nc3cc4ccccc4cc3N(C)[C@@H]2[C@H]1c1ccccc1 244873499 WRHKCHDZUOOKER-VSKRKVRLSA-N 357.457 4.629 0 50 FJAA O=C(c1ccc(Cl)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 263639786 ISFFIYCFUVRVLY-NXEZZACHSA-N 359.697 4.543 0 50 FJAA Cc1nc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)c(C)s1 299764941 XJOKECFGMJMGFG-BBWFWOEESA-N 366.490 4.503 0 50 FJAA CC(C)c1ccc(CC(=O)Nc2ccccc2OC[C@H]2CCCO2)cc1 828075335 KRMKTQMVXBCCKX-LJQANCHMSA-N 353.462 4.549 0 50 FJAA Cc1ccc(NC(=O)CN2CCCC[C@H]2Cc2cc(F)ccc2F)cc1C 1875308007 PLUOELBSIHROJS-FQEVSTJZSA-N 372.459 4.617 0 50 FJAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(F)c1 682389 XPOOADQQJHJKGO-UHFFFAOYSA-N 353.780 4.962 0 50 FJAA COc1ccc(-c2csc(Nc3cccc(C(C)=O)c3)n2)cc1OC 813377 DGFGYOVVDXIRQT-UHFFFAOYSA-N 354.431 4.774 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCCCC2 997030 VTMYJGPNCMPZNL-UHFFFAOYSA-N 357.475 4.673 0 50 FJAA CCOc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 1004113 HEDYRXYPQMGDLC-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA Cc1cc(C)nc(SCc2nc3ccccc3n2Cc2ccccc2)n1 1063878 WLJRPQRIYNSWSL-UHFFFAOYSA-N 360.486 4.784 0 50 FJAA COc1cccc(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)c1 12456281 FQFTUSYUIJMZKK-UHFFFAOYSA-N 365.473 4.679 0 50 FJAA c1cc(-c2ccn(Cc3cscn3)n2)cc(-c2nccc3occc23)c1 19744966 MEIQXWYDEBLFKF-UHFFFAOYSA-N 358.426 4.863 0 50 FJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3sc(C(C)C)nc3C)[nH]c2c1 77469850 OZXAJKADYMHVKT-INIZCTEOSA-N 368.506 4.737 0 50 FJAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3OC3CCCC3)[nH]n2)o1 195586117 QUMSCLLYTNOVJU-UHFFFAOYSA-N 351.406 4.552 0 50 FJAA Cc1nc(C)c(C(=O)O[C@H](C)C(C)C)c(-c2ccccc2N=O)c1C(=O)O 207294019 KKQILAUVQAVWHF-CYBMUJFWSA-N 370.405 4.663 0 50 FJAA CC(=O)Nc1cccc([C@H](C)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 225556059 GFIKGCLTMJWPPT-UZQPLGKSSA-N 368.477 4.500 0 50 FJAA Cc1cc(C)c(NC(=O)[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c(C)c1 239274586 AJTJBLIFAGTZAF-UYVKZUBASA-N 366.332 5.406 0 50 FJAA CC(C)[C@H]1N(C(=O)Nc2ccc3ccnc(O)c3c2)CC12CCCCC2 333449741 YHASQBUXHCAAIX-GOSISDBHSA-N 353.466 4.763 0 50 FJAA CCC(=O)c1ccc(NC(C)(C)Cc2ccc(Br)cc2)nc1 2325842487 ZXTOHBLNNNZDCQ-UHFFFAOYSA-N 361.283 4.870 0 50 FJAA CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2)c1ccccc1 688868 CKHXZKYUDZLOQX-OAHLLOKOSA-N 370.518 4.638 0 50 FJAA O[C@@H](CN1CCCCCC1)CN1c2ccccc2Sc2ccccc21 706989 FVPBECKJQJHQAY-KRWDZBQOSA-N 354.519 4.526 0 50 FJAA COc1cc(C=O)ccc1OC(=O)Nc1ccc(Cl)cc1C(F)(F)F 1754094 XNKLQIYPDUOUQF-UHFFFAOYSA-N 373.714 4.791 0 50 FJAA CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccc(C)cc34)nn12 2861534 VLKFGIQGIGZXSJ-UHFFFAOYSA-N 371.469 4.939 0 50 FJAA Oc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 4171732 URSCGRASVSZIBN-NTCAYCPXSA-N 355.397 4.516 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)CC3CCCCC3)C(C)C)n2)c1 4839660 KTEHGBBUNMLIFH-UHFFFAOYSA-N 355.482 4.752 0 50 FJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)cc1 12447889 BMRORUHUCQOEFF-OAQYLSRUSA-N 360.505 4.732 0 50 FJAA c1ccc(CCC2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 15063596 JPBVPDAVNROBLW-UHFFFAOYSA-N 361.489 4.505 0 50 FJAA Cc1cccc(C)c1-c1c(-c2ccccc2)ncn1CCC(=O)N1CCCC1 65382788 NQJNPAUGLCHQCW-UHFFFAOYSA-N 373.500 4.846 0 50 FJAA O=C(c1cccnc1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71750571 SXHCHXZTPOJQHS-INIZCTEOSA-N 362.395 4.585 0 50 FJAA COc1ccccc1-c1cccc(NC(=O)N[C@H]2COC3(CCCC3)C2)c1 97522784 OVTLOICLJWOBCT-GOSISDBHSA-N 366.461 4.585 0 50 FJAA C[C@H](OC(=O)c1ccc(SCc2cccnc2)cc1)c1nccs1 130874244 SQTDVQXGAPVHRS-ZDUSSCGKSA-N 356.472 4.748 0 50 FJAA O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@H]1c1ccc(F)cc1 221201945 AGJOBBATGICLKR-IBGZPJMESA-N 369.827 4.847 0 50 FJAA CC[C@@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1ccnc(Cl)c1 253424390 FKCFYZYCGBRSTK-CYBMUJFWSA-N 350.846 4.648 0 50 FJAA O=C(NCCCc1nc2ccccc2s1)c1ccc([C@H]2CCCO2)s1 952983393 DEQIPRSEMQIZCP-CQSZACIVSA-N 372.515 4.572 0 50 FJAA C[C@@H]1Cc2ccc(F)cc2[C@H]1NC(=O)c1ccc(-c2ccccc2CN)cc1 2325829597 NTADPHPPPJXFSX-CMJOXMDJSA-N 374.459 4.615 0 50 FJAA Cc1ccccc1[C@H](CC(C)C)NC[C@@H](CO)Cc1ccc(F)c(F)c1 2325841434 UZDKMJJULWQEGV-AVRDEDQJSA-N 361.476 4.801 0 50 FJAA CC(C)NC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 812233 SSBNSZMBTOTRCR-UHFFFAOYSA-N 372.877 4.945 0 50 FJAA CSC1=N[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)CC(C)(C)N1 2501005 IKQVAWAYEBGDCK-RXVVDRJESA-N 368.502 4.602 0 50 FJAA O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 3036412 LVSGZPVWALHPET-UHFFFAOYSA-N 352.437 4.874 0 50 FJAA in-vivo CC(C)(C)c1ccc(OCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4351027 DFYJIXRZBPFCJI-UHFFFAOYSA-N 355.522 4.696 0 50 FJAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 4910531 SUYOCNKMNGBJTL-CYBMUJFWSA-N 359.853 4.710 0 50 FJAA COc1cc(Cl)cc(/C=C/c2ccc3ccccc3n2)c1OC(C)=O 5065637 XSJNSKSCPUPVFT-CSKARUKUSA-N 353.805 4.993 0 50 FJAA CC(C)(C)[C@@H](Cn1cccn1)NC(=S)Nc1ccc(Cl)cc1Cl 6824611 FWQDCYOXGUKVFG-CQSZACIVSA-N 371.337 4.591 0 50 FJAA Cc1cc2c(cc1NC(=O)C(C)C)NC(=O)C[C@H]2c1cccc2cnccc12 65384671 AWIHRIOZYRDHJX-SFHVURJKSA-N 373.456 4.612 0 50 FJAA COc1ccc(F)cc1-c1nccn1[C@H](c1ccccc1)c1ccncc1 71589561 WZFZFCMERIVTGZ-OAQYLSRUSA-N 359.404 4.731 0 50 FJAA CCN(CCOC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 96026387 BJMTVXLQAKHUBE-UHFFFAOYSA-N 359.469 4.888 0 50 FJAA Cc1cccc(OC(F)F)c1NCc1nnc(-c2ccccc2Cl)o1 133680903 NBCGWJGTZQFRFW-UHFFFAOYSA-N 365.767 4.912 0 50 FJAA O=C(O)/C=C/c1ccc(-c2cc(Br)ccc2Br)o1 216962223 FZQRZFLMZKYURE-ZZXKWVIFSA-N 372.012 4.569 0 50 FJAA CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@H]1C 239248000 XVMYIMXBHZVAHC-PMQPGWGVSA-N 369.505 4.647 0 50 FJAA O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1ocnc1C1CC1 289313489 KBJBPNSTEUNEEP-HAQNSBGRSA-N 351.233 4.535 0 50 FJAA C[C@H]1CN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)CCCO1 299803192 ZSFHDSWURAYPGV-AWEZNQCLSA-N 363.379 4.623 0 50 FJAA CC(=O)c1ccccc1-c1cccc(C(=O)N(C)CCC[C@H]2CCCO2)c1 426383131 LVEKTCOWIAFLAV-FQEVSTJZSA-N 365.473 4.587 0 50 FJAA COCCN(Cc1ccc(C)s1)C(=O)c1ccc(-c2ccc(C)o2)cc1 952971036 GWFLURLMGTYPTM-UHFFFAOYSA-N 369.486 4.914 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2Cc2ccnn2-c2ccccc2)cc1 952981210 RZKAESVWEWOUPA-XMMPIXPASA-N 374.532 4.661 0 50 FJAA c1ccc(CCC[C@@H]2CCCN2c2nnc(C3CCC3)n2CC2CC2)cc1 2325842332 VCTYYPKRIMUASL-OAQYLSRUSA-N 364.537 4.947 0 50 FJAA CCCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(OC)cc1 2760212 WJOBTVFRJORXHE-UHFFFAOYSA-N 373.474 4.647 0 50 FJAA CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C)ccc2C)c1 2828874 PCGONZXKCVFGAW-UHFFFAOYSA-N 356.491 4.609 0 50 FJAA CCC(=O)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 4868916 QYEUNJDSIHDEGO-UHFFFAOYSA-N 371.742 4.927 0 50 FJAA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)C)cc3)c2C(N)=O)C1 5093829 VHJIZUPWDKSFAE-CYBMUJFWSA-N 370.518 4.738 0 50 FJAA Cc1ccsc1-c1c(-c2ccccc2)ncn1Cc1csc(N)n1 65435449 KXAZGGDTCZEVCS-UHFFFAOYSA-N 352.488 4.674 0 50 FJAA Cc1cc(O)cc(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 67691460 FBHQMJLRISOQOH-UHFFFAOYSA-N 370.399 4.501 0 50 FJAA O=C(c1ccc2occc2c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72479125 OAJRVXANVOZWEK-SFHVURJKSA-N 363.392 4.816 0 50 FJAA Cc1cc(CNC(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)ccn1 95526050 XJYNEONFMBSAOL-NRFANRHFSA-N 364.876 4.882 0 50 FJAA Cc1ccsc1C(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 170617641 QWLWYPVLTNMGLL-UHFFFAOYSA-N 363.364 4.785 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1cnn([C@@H]2CCCCO2)c1)C(C)C 426518799 NZAGEWGQINIICK-FQEVSTJZSA-N 355.482 4.508 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1C 822815989 REKHOUNLDRIDEQ-UHFFFAOYSA-N 368.452 4.933 0 50 FJAA COc1cccc(-c2nc(N[C@@H]3CCCC3(F)F)c3ccccc3n2)c1 1472767645 NHEAHVZZFHEHEI-QGZVFWFLSA-N 355.388 4.905 0 50 FJAA Cc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)c1C 1073008 ZUZRMTFDTIKHRS-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(F)c1F 1215271 IFUSYSLYJCXQIM-UHFFFAOYSA-N 352.312 4.619 0 50 FJAA CCOc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 1480005 XSCFDOSMKUELCR-UHFFFAOYSA-N 371.487 4.501 0 50 FJAA Cc1ccc(OCCCC(=O)Nc2cccc(Br)c2)c(C)c1 1913984 UJQSISPGLHPGBS-UHFFFAOYSA-N 362.267 4.864 0 50 FJAA CCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(OCC)c1OCC 4599315 KNQQZWONJNKKJQ-UHFFFAOYSA-N 357.450 4.697 0 50 FJAA Cc1ccc([C@@H]2C[C@@H]2c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 5426613 KWTOVCPNYJHNIC-KBPBESRZSA-N 359.857 4.928 0 50 FJAA O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(F)cc3)cc(O)c12 5450658 LHIIZENBGYHAND-UHFFFAOYSA-N 362.356 4.884 0 50 FJAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccccc2)C1 5916764 MRKDFMSHYBYVPD-OAHLLOKOSA-N 356.535 4.801 0 50 FJAA Cc1nc2sc3c(c2c(=O)n1-c1ccc(F)c(Cl)c1)CCCCC3 6861468 BUDVXWOEMIMKNW-UHFFFAOYSA-N 362.857 4.817 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 12404141 XWGNBMZTTGQZSX-UHFFFAOYSA-N 369.808 4.507 0 50 FJAA CC(=O)c1ccc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)s1 19300398 FAPMIVQLOFEUIB-MRXNPFEDSA-N 359.466 4.575 0 50 FJAA CSc1cccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 38670835 PGSBJZCUUFKURH-UHFFFAOYSA-N 366.446 4.943 0 50 FJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C 44856372 FSBNCYDWJQANMX-SFHVURJKSA-N 368.496 4.532 0 50 FJAA Cc1cc(C)c2c(C(=O)N3CCCC3)cc(-c3cnn(C(C)C)c3)nc2c1 63857038 MNZHOZBUUPSTOV-UHFFFAOYSA-N 362.477 4.532 0 50 FJAA CNc1ccnc(NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n1 71523622 WHMRIQWZHYIMQO-UHFFFAOYSA-N 361.424 4.726 0 50 FJAA COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)nc3ccc(C)cc23)c1 77287209 FSGDXMBUXITMRC-QFIPXVFZSA-N 360.457 4.838 0 50 FJAA O=C1Nc2ccccc2CC[C@H]1Sc1nnc(CCC2CCCCC2)o1 187961736 LUPOCUMZFOHMSR-QGZVFWFLSA-N 371.506 4.628 0 50 FJAA Cc1nc2ccc(NC(=S)N3C[C@H]4C[C@H]3CC(C)(C)[C@H]4C)cc2nc1C 229884318 NBZMZGGJASLWMS-MJEQTWJJSA-N 368.550 4.700 0 50 FJAA CC(C)(C)c1csc(NC(=O)C[C@H](c2ccsc2)n2cccc2)n1 263587092 BZCDTBCOFNWBCX-CQSZACIVSA-N 359.520 4.922 0 50 FJAA O[C@H](CNCc1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 311588479 FXAPYQXYYSGZHZ-JOCHJYFZSA-N 367.876 4.742 0 50 FJAA Cc1cnc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)nc1-c1ccccc1 331845277 QCUSNGUJAXHMJA-GJZGRUSLSA-N 363.383 4.759 0 50 FJAA COc1cccc(-c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2)n1 426423719 QORWTXQJMRVTBI-NRFANRHFSA-N 373.456 4.520 0 50 FJAA COC(=O)C1(c2ccc(-c3ccccc3OCc3ccccc3)nc2)CCC1 1875322928 NZCZAKGSQLERSS-UHFFFAOYSA-N 373.452 4.922 0 50 FJAA Cc1cc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)sn1 2325820356 QJFWIGDYTWSSNR-UHFFFAOYSA-N 355.290 4.654 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2ccccc12 626845 VOSGNSGIAJTEEE-UHFFFAOYSA-N 362.212 4.654 0 50 FJAA COc1ccccc1N1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O 1138515 UQUWYQVFSFSBPR-WJDWOHSUSA-N 357.456 4.658 0 50 FJAA O=C1C[C@H](c2ccccc2)c2cccc(N3CCN(c4ccccc4)CC3)c21 1388202 LMSGVNUBVSOTGJ-JOCHJYFZSA-N 368.480 4.732 0 50 FJAA Cc1nc(N2CCCCC2)c2sc(=S)n(Cc3ccccc3)c2n1 1428955 PTHSNRQZJCKEQG-UHFFFAOYSA-N 356.520 4.569 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSc1ccccc1 2984359 OLASVAKZYLVSBN-VQHVLOKHSA-N 352.286 4.915 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1 2992903 ATEOUUWUNAJLGJ-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4247982 OBQVWYLPVNCYNB-LAUBAEHRSA-N 362.454 4.999 0 50 FJAA OCCn1c(-c2ccc(-c3ccccc3)cc2)cn2c3ccccc3nc12 4497803 LBYQRVUBVVCAPB-UHFFFAOYSA-N 353.425 4.615 0 50 FJAA biogenic O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 11820758 BAASLYUZRXOHEG-IBGZPJMESA-N 364.876 4.983 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nn1 72437146 BLLYDPXYCDWIBG-UHFFFAOYSA-N 373.334 4.848 0 50 FJAA C[C@H]1CCC[C@H](OCc2cccc(NC(=O)/C=C/c3cncc(F)c3)c2)C1 170621569 IBRYFCFLFLILDR-KYMLWPADSA-N 368.452 4.968 0 50 FJAA O=C(NCCC[C@H]1CCOC1)c1ccc(-c2ccc(F)c(Cl)c2)cc1 426528170 ZTZIVCGPQNTJLA-AWEZNQCLSA-N 361.844 4.693 0 50 FJAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC(C)C 630461 ZTOSHCSZXSNVMA-UHFFFAOYSA-N 352.386 4.538 0 50 FJAA biogenic Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)c(Cl)c2)cc1 1136323 NZARPENBZDKHPP-UHFFFAOYSA-N 366.244 4.764 0 50 FJAA Nc1cc(-c2ccc(Br)cc2)nn1Cc1cccc(Cl)c1 1203399 RZKSBXZJDYWXRF-UHFFFAOYSA-N 362.658 4.597 0 50 FJAA CCCCCCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 1787078 PAOFQSIZVMBJTD-CQSZACIVSA-N 351.705 4.881 0 50 FJAA CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1 5643053 VCLZNSKKBGUXBB-BMIGLBTASA-N 365.886 4.615 0 50 FJAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[C@H](Nc2ccccc2)C1 11662473 PDBHGPRXOQUBNM-IBGZPJMESA-N 373.500 4.763 0 50 FJAA Cc1ccc(-n2nc3ccc(NC(=O)/C=C\c4ccccc4)cc3n2)cc1C 15659914 YEWJRUQTIKCPLV-LCYFTJDESA-N 368.440 4.689 0 50 FJAA O=C(O)Cc1sc(-c2ccc(Br)cc2)nc1-c1ccccc1 71770895 OWDCOKKAPKCHCR-UHFFFAOYSA-N 374.259 4.867 0 50 FJAA c1ccc(-c2cc(CN3CCC[C@H]3c3nc4ccccc4s3)on2)nc1 72159231 RJECHJKQDIOBPA-SFHVURJKSA-N 362.458 4.683 0 50 FJAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2n1 82098090 CNIWEIXTIGTEBS-HXUWFJFHSA-N 352.384 4.799 0 50 FJAA Cc1cc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)c2cccc(C)c2n1 82098547 LQOZXIVXWREWBK-UHFFFAOYSA-N 371.440 4.779 0 50 FJAA Cc1ccc(C)c(OC2CCN(Cc3csc([C@H]4CCCO4)n3)CC2)c1 179490130 LBOUGFMYETVTQD-LJQANCHMSA-N 372.534 4.655 0 50 FJAA CCn1ncc(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1C 1529110384 MWPZJEVBILSFCE-UHFFFAOYSA-N 365.277 4.501 0 50 FJAA Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)CC3CC3)cccc2c1=O 2325728263 JIMAMKJPXPFQMW-AWEZNQCLSA-N 361.441 4.687 0 50 FJAA Cc1ccc(-n2cnc3ncnc(-c4ccc(Br)cc4)c32)cc1 978778 LKUXDKHZFDESFN-UHFFFAOYSA-N 365.234 4.553 0 50 FJAA COc1cccc(CNc2ccccc2O)c1OCc1ccccc1F 2215118 VYYYHPJUDXYOCY-UHFFFAOYSA-N 353.393 4.731 0 50 FJAA Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1 3995426 JTARFZSNUAGHRB-UHFFFAOYSA-N 356.376 4.531 0 50 FJAA in-vitro COC[C@@H](C)Oc1cccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)c1 12042336 JDJOOVJXGZPILR-OAHLLOKOSA-N 373.880 4.559 0 50 FJAA CCN1CCN(CCCCOc2ccc(C(C)(C)CC)cc2Cl)CC1 20406437 YIANWWDJDOAPIT-UHFFFAOYSA-N 366.977 4.824 0 50 FJAA Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c(C)c1 169755222 DJIJSGMTIBMNFU-CQSZACIVSA-N 367.836 4.527 0 50 FJAA COc1ccc2ccc(OC(=O)C[C@@H]3OCCc4ccsc43)cc2c1 170621031 CRCNJORKFNMYRM-SFHVURJKSA-N 354.427 4.519 0 50 FJAA 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 253491379 MIPBKEDUAJVNOP-LYNOMXCYSA-N 358.522 4.800 0 50 FJAA CC(C)c1noc(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 952971547 OKMLUHFBIKELIL-UHFFFAOYSA-N 353.388 4.591 0 50 FJAA O=C(/C=C/c1ccc2c(c1)CCO2)OCc1ccc(Oc2cccnc2)cc1 2325719741 JPXYALPRUIEWGQ-UXBLZVDNSA-N 373.408 4.565 0 50 FJAA Cc1ccc(-c2nc(C(=O)O[C@H]3CCC[C@H]3c3cccnc3)cs2)o1 2325743025 VJOWNGVPEHSHTJ-HOCLYGCPSA-N 354.431 4.600 0 50 FJAA c1ccc(-c2nc(N3CCOCC3)c3cc(-c4ccccc4)sc3n2)cc1 628519 NHFXLEVFNIWMPA-UHFFFAOYSA-N 373.481 4.862 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 641449 FILWLKBAVJRJLG-UHFFFAOYSA-N 353.205 4.814 0 50 FJAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)o1 1005813 UBCWLUPKKJRPFH-UHFFFAOYSA-N 369.646 4.548 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 1116131 RACWADVJJPXMLS-NSHDSACASA-N 368.658 4.817 0 50 FJAA Cc1c(C)c2ccc(OCc3cccc(Br)c3)cc2oc1=O 1153593 YLVWMHWMQYPHKK-UHFFFAOYSA-N 359.219 4.751 0 50 FJAA Cc1ccc(NC(=O)CSCc2cccc(Br)c2)c(C)c1 1186133 MWGBMSGZWQIPRG-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA CCOc1cccc(OCCCOc2ccc(Br)cc2)c1 2991034 GRTUIBLJNWVTJY-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(C(F)(F)F)cc1 13961353 DGBVXYAZNPPGLB-UHFFFAOYSA-N 366.770 4.813 0 50 FJAA O=C1c2ccccc2N[C@@H](c2cccc3ccccc23)N1C[C@H]1CCCO1 15502944 SOXNPQCXRRBRMX-VGOFRKELSA-N 358.441 4.585 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1ccc(F)cc1 35476372 QQBDUVGSJVZJMF-SFHVURJKSA-N 354.356 4.597 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nn1 38488264 YXNQELWYRHULPC-UHFFFAOYSA-N 372.350 4.800 0 50 FJAA C[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 65499195 NSTAJWJTVZYFLR-INIZCTEOSA-N 363.436 4.666 0 50 FJAA CCCC[C@H]1C=CCN1C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 95530900 GZYODRQBYMTGOK-FQEVSTJZSA-N 369.509 4.521 0 50 FJAA COc1ccc(NC(=O)c2cccc(-c3ccccn3)c2C)cc1Cl 131692474 WELDKFUISKSCTO-UHFFFAOYSA-N 352.821 4.971 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)cn1 170596850 YDBSRVRLMLUNBH-MRXNPFEDSA-N 350.487 4.700 0 50 FJAA COc1ccc(-n2cccn2)c(CN2CC[C@@H](c3cccc(Cl)c3)C2)c1 216158998 BQSUVBAZBHPBCT-QGZVFWFLSA-N 367.880 4.524 0 50 FJAA COc1ccc(CN(C)Cc2ccc([C@@H]3CCCCO3)o2)c2cccnc12 216405590 KKEQUIWOZMDUQV-IBGZPJMESA-N 366.461 4.710 0 50 FJAA Cn1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)cc1-c1cccs1 220546589 WXTCGGUBRZPXPM-QGZVFWFLSA-N 369.465 4.655 0 50 FJAA CN(CC[C@H]1CCCCO1)C(=O)Nc1cccc(-c2ccc(F)cc2)c1 299779272 NDOTUDQUGNQJAX-HXUWFJFHSA-N 356.441 4.916 0 50 FJAA Cc1ccc(NC2(C(=O)N[C@H](C)c3cccc(C)n3)CCCCC2)cc1 1506421680 KRNFSFKHUFOKGB-GOSISDBHSA-N 351.494 4.691 0 50 FJAA CO[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N(C)C(=O)[C@@H](c1ccccc1C)C1CCCC1 1875408227 RAKXVHLZPJSXTC-OCFWJZSCSA-N 355.522 4.541 0 50 FJAA O[C@H](CNc1cccc(Cl)c1)Cn1c2ccccc2c2ccccc21 626479 KITYXOSZSFHNRT-QGZVFWFLSA-N 350.849 4.921 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)c(Cl)c2)c1 675062 JTGCHXUQAIZJJY-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)c1 707365 QHAWHMMPHLFONB-QFIPXVFZSA-N 372.424 4.803 0 50 FJAA O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 1011846 ANMZAXVWXJESCV-ZSOIEALJSA-N 366.225 4.940 0 50 FJAA Cc1ccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 1782058 OERYRGSBWATACY-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA biogenic O=c1oc(-c2ccc(Br)cc2)nc2sc3c(c12)CCCC3 2496758 IFMXYYSVEWOADI-UHFFFAOYSA-N 362.248 4.558 0 50 FJAA COc1cc(C)ccc1OCCOc1ccc(Br)cc1Cl 2994810 PTNWQBULQWWLOW-UHFFFAOYSA-N 371.658 4.877 0 50 FJAA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 6844631 QPZPHFDDLJAYTD-NWDGAFQWSA-N 364.898 4.636 0 50 FJAA Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1 12203720 GPLHHUNEPMJIAZ-MRXNPFEDSA-N 356.853 4.775 0 50 FJAA CCCCn1nc(C)c2c(C(=O)OC)cc(-c3ccc(Cl)cc3)nc21 13961116 IEUBDRPRMUWPPC-UHFFFAOYSA-N 357.841 4.647 0 50 FJAA CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 16361794 WVMVYUWKZYGWGR-HOTGVXAUSA-N 365.452 4.742 0 50 FJAA O=C(c1csc(NC2CCCC2)n1)N1CCC(c2ccccc2)CC1 61721325 YYSBNCPIYUWGPO-UHFFFAOYSA-N 355.507 4.517 0 50 FJAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccnc2ccccc12 72477615 SYMLKRKTCSLMPG-UHFFFAOYSA-N 365.483 4.692 0 50 FJAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)C2)n1 91434741 CGSNGMDBZXTVDM-HNNXBMFYSA-N 369.852 4.501 0 50 FJAA Cc1[nH]c2c(c1C(=O)N1CCCC[C@H]1CCc1cccs1)C(=O)CCC2 91677476 TZEMKGOBMRCPIR-HNNXBMFYSA-N 370.518 4.531 0 50 FJAA COc1cc(F)c(NC(=O)N2CCc3c(cccc3C(C)C)C2)cc1F 241719917 QQSUGAXBEUXCBY-UHFFFAOYSA-N 360.404 4.687 0 50 FJAA COCc1c(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)sc2cccc(F)c12 252672131 PIESROBNAILTCG-HZSPNIEDSA-N 361.482 4.885 0 50 FJAA Cc1nc2cc(NC(=O)N[C@@H](c3ncccc3C)C3CC3)ccc2s1 299783114 GUVLKUFRIQQENF-GOSISDBHSA-N 352.463 4.581 0 50 FJAA CC(C)c1nnc([C@@H](C)NC(=O)Nc2cccc(SC(F)(F)F)c2)o1 299798417 RZEZCRISQFBOQQ-SECBINFHSA-N 374.388 4.688 0 50 FJAA O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)C1CCCC1 487621728 NFEMHCYSEXMDGN-UHFFFAOYSA-N 354.397 4.881 0 50 FJAA Clc1nc(N2CCCC2)sc1CN[C@@H](c1ccccc1)c1ccco1 952972572 VLTNLQNBUQMHTL-KRWDZBQOSA-N 373.909 4.869 0 50 FJAA CC1(C)CCc2nc(C(=O)N[C@@H]3CCCCCCC3(F)F)ccc2C1 1875356661 PAKYTNLFYIFABV-QGZVFWFLSA-N 350.453 4.684 0 50 FJAA Oc1ccc2c(c1)[C@@H](N[C@@H]1CCOc3c1ccc(Cl)c3Cl)CC2 2325756280 VONODJZZFWJQOD-JKSUJKDBSA-N 350.245 4.800 0 50 FJAA CC(C)Oc1ccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)cc1 1072559 YTBXGOJFBKCNJF-JOCHJYFZSA-N 363.457 4.905 0 50 FJAA biogenic Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 1087321 XQNKEFPXJRALFI-UHFFFAOYSA-N 360.244 4.799 0 50 FJAA COc1ccc(-c2nc3ccccc3s2)cc1I 1111316 WBZLQTIWEZYZLA-UHFFFAOYSA-N 367.211 4.577 0 50 FJAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(C(F)(F)F)ccc1Cl 1217491 LCQWELUHLGEUNG-QHHAFSJGSA-N 369.726 4.739 0 50 FJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 4910476 JGCMVJQKLMIZLQ-INIZCTEOSA-N 351.446 4.725 0 50 FJAA Fc1cccc(Cl)c1Cc1nnc(S)n1Cc1ccc(Cl)cc1 6828618 GCHBIYUNUCQINH-UHFFFAOYSA-N 368.264 4.652 0 50 FJAA CCN(Cc1ccc(C)o1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 11719327 HVUNNAAGILCBDO-HXUWFJFHSA-N 358.501 4.504 0 50 FJAA Cc1ccc2c(c1)CN(Cc1cccc(O)c1)C[C@H](c1ccsc1)O2 14994809 ONKXAGIJFUJGMC-OAQYLSRUSA-N 351.471 4.898 0 50 FJAA CC(C)c1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccccc1 16652127 JLAKHLYEUQCSIL-UHFFFAOYSA-N 374.366 4.662 0 50 FJAA COc1ccc(/N=c2/oc3ccccc3nc2Nc2ccc(OC)cc2)cc1 17111379 NFWOFGMGAUYLAF-ZNTNEXAZSA-N 373.412 4.821 0 50 FJAA c1cc(-c2ccn(Cc3nccs3)n2)cc(-c2nccc3occc23)c1 20861102 GSUMJYXZKYKMKQ-UHFFFAOYSA-N 358.426 4.863 0 50 FJAA Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1 72437822 VJFQDCQXNURPKL-UHFFFAOYSA-N 373.334 4.848 0 50 FJAA COc1cccc([C@H]2CCCCN2C(=O)c2[nH]c3c(F)cccc3c2C)c1 77484949 ALEJWTMFENOMNY-LJQANCHMSA-N 366.436 4.991 0 50 FJAA O=C1CCCCc2cc(C(=O)N3CCCCC[C@H]3c3ccncc3)ccc21 329513128 LHFQZIRAQLNQQA-NRFANRHFSA-N 362.473 4.748 0 50 FJAA CCN(C(=O)c1ccc(-c2ccc(Cl)cc2F)cc1)C1CCOCC1 426470800 JZPFQNDSQGYBMG-UHFFFAOYSA-N 361.844 4.787 0 50 FJAA C[C@H](c1cccc(-c2ccc(C(=O)CCC(=O)O)cc2)c1)N1CCCC1 534574584 WYCHKCCZKPJXLI-MRXNPFEDSA-N 351.446 4.558 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](C2(C(F)(F)F)N=N2)C1 1875321543 MJJRUTPZFYSQJI-MRXNPFEDSA-N 359.351 4.540 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NC(C)(C)CCN1CCCC1 2325863153 XOIQCWBTZKHHKS-UHFFFAOYSA-N 356.510 4.770 0 50 FJAA O=C(OCc1ccccc1Cl)c1ccccc1C(=O)c1ccccc1 935780 QQNOLLNPCJZPRJ-UHFFFAOYSA-N 350.801 4.928 0 50 FJAA CC(C)(C)CC(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1 950474 SWWSUYCHOIWMOB-UHFFFAOYSA-N 356.491 4.515 0 50 FJAA COc1ccc(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 987122 DQKGSSULPZRROM-UHFFFAOYSA-N 354.233 4.798 0 50 FJAA O=C(CC1c2ccccc2Oc2ccccc21)NCCOc1ccccc1 2266169 KBCZOVIURZSIHW-UHFFFAOYSA-N 359.425 4.510 0 50 FJAA COCCSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 4740457 WUESLLIFIAERED-UHFFFAOYSA-N 355.381 4.696 0 50 FJAA Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCC(C)CC3)n2)cc1 5562302 WPCAZLDVPFIHFV-UHFFFAOYSA-N 361.445 4.584 0 50 FJAA CCOc1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O 12073397 UBZVNRRYVNPENZ-QGZVFWFLSA-N 373.880 4.539 0 50 FJAA CC[C@@H](C)CC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 12098103 XYLJGSLLQWCJGJ-CRAIPNDOSA-N 369.484 4.733 0 50 FJAA CC(C)(C)c1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2Cc2ccccc2)cc1 12336766 CRPGJWHGKJNBKZ-TZIWHRDSSA-N 365.473 4.549 0 50 FJAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cn(C3CCCCCC3)nn2)C1 12438281 BLQXQNYEVYKMMX-SFHVURJKSA-N 366.509 4.502 0 50 FJAA Cc1ccsc1C(=O)N1CCC[C@H](C(=O)c2cccc3ccccc23)C1 12457085 TYRKRNZHSZBDJY-KRWDZBQOSA-N 363.482 4.945 0 50 FJAA COc1ccccc1CN1CCC(CN(Cc2ccoc2)CC(C)C)CC1 12710133 QMDVTUXGDWNDLJ-UHFFFAOYSA-N 370.537 4.658 0 50 FJAA O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N=C3O)o2)ccc1Cl 15010468 VJSXJBRRUVDPIT-SDQBBNPISA-N 365.819 4.627 0 50 FJAA COc1cc(C)c(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C 22860402 LPDWVKCSVCIFOF-GMAHTHKFSA-N 356.554 4.541 0 50 FJAA Cc1ncc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c(C(C)C)n1 185879306 PYVDKRZVSRQNBZ-UHFFFAOYSA-N 357.885 4.582 0 50 FJAA CCCCSc1ncc(CN2CCC[C@@H]2c2nc3ccccc3[nH]2)cn1 215136364 OUBASFQHPTWBMV-GOSISDBHSA-N 367.522 4.582 0 50 FJAA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 239433993 YWCQKKGLXGBROQ-MNZLEMJZSA-N 356.422 4.568 0 50 FJAA NC1(c2noc(-c3cc(-c4cccs4)nc4ccccc34)n2)CCCC1 261677620 GQIOCLGCBYOCJB-UHFFFAOYSA-N 362.458 4.741 0 50 FJAA C[C@@H](CC1CCCCC1)C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 464433286 FDONTYZHKJPDBK-FXAWDEMLSA-N 351.494 4.620 0 50 FJAA CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)C1=Cc2ccccc2CC1 732988692 XQALIKARSQYEIC-OAQYLSRUSA-N 355.503 4.633 0 50 FJAA CC(C)Oc1ccc2ccccc2c1CN1CCC[C@]2(CCC[C@H]2O)C1 1704300068 TWIGRMJCRYMNFL-DHIUTWEWSA-N 353.506 4.754 0 50 FJAA COc1ncccc1[C@H](C)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 1875328789 MZGVIDUGRGPHMS-INIZCTEOSA-N 358.445 4.886 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc(C)c1Cl 1054002 PXSLRESASRTRRI-UHFFFAOYSA-N 358.869 4.575 0 50 FJAA O=C(OCc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 1107656 OSXSLUSBPKFNQZ-UHFFFAOYSA-N 356.381 4.761 0 50 FJAA CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccccc1Cl 1392079 WAZQANLJTOAIOI-UHFFFAOYSA-N 371.849 4.520 0 50 FJAA COc1ccc(NC(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC 2347454 RWXNRZDZHYMURD-AWEZNQCLSA-N 350.418 4.740 0 50 FJAA CCCOc1ccc([C@](O)(CCN2CCCCC2)c2cccc(C)c2)cc1 2810475 OPRJXLALLTVEEO-XMMPIXPASA-N 367.533 4.896 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1Cl 2998068 UKIHOIBVSHJHGG-UHFFFAOYSA-N 354.631 4.754 0 50 FJAA COc1cc(C)ccc1OCCOc1ccc(C)cc1Br 4701983 LCHGTARRYBLNGB-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA Cc1ccccc1CSCc1nnc(S)n1-c1ccc(F)cc1F 6401701 ZHTMCYUDRMVLSM-UHFFFAOYSA-N 363.458 4.576 0 50 FJAA CCCOc1ccc(C(=O)Sc2nnc(-c3ccc(C)s3)n2C)cc1 6636282 DZVCBZZROLUSQS-UHFFFAOYSA-N 373.503 4.573 0 50 FJAA Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 12477585 HEEHSDJUHVHNDF-QHCPKHFHSA-N 374.463 4.541 0 50 FJAA O[C@H](COCc1ccc(Cl)cc1)CSCc1ccc(Cl)cc1 23114807 CMLARVSWFSYAAI-QGZVFWFLSA-N 357.302 4.804 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1 36620712 XVRCRFACCPGKPQ-IBGZPJMESA-N 352.434 4.541 0 50 FJAA Cc1nc(CN2CC[C@H](c3ccnc(-c4cccc5cccnc45)c3)C2)co1 65526325 MJFNTSZUSYCONV-IBGZPJMESA-N 370.456 4.583 0 50 FJAA CCCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1 215769569 QZFMCYUBPSLOBP-UHFFFAOYSA-N 368.496 4.666 0 50 FJAA in-vitro O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CCC[C@@]2(CCNC2)C1 299762334 UHZUQEQHKQKHGL-NRFANRHFSA-N 369.896 4.614 0 50 FJAA CCS[C@@H](C)c1nc(-c2ccsc2OC)n(CCC(C)(C)OC)n1 1875335845 JCPVJLOUQZYXQZ-LBPRGKRZSA-N 369.556 4.644 0 50 FJAA Cc1cc(O)c(C(C)C)cc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 1021192 PZIUSXAUZQJXPE-UHFFFAOYSA-N 371.436 4.876 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1 1115142 IUOCNUIBFMWGQV-RUDMXATFSA-N 366.642 4.763 0 50 FJAA CC(C)C(=O)Nc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 1129052 WBNMMLMRRMVQBT-UHFFFAOYSA-N 372.468 4.801 0 50 FJAA Cc1cccn2cc(-c3cccc(NC(=O)CCc4ccccc4)c3)nc12 4247955 QTQVZIVJJKCTJC-UHFFFAOYSA-N 355.441 4.881 0 50 FJAA C[C@@H](NC(=O)c1cc(Cc2ccc(F)cc2)no1)c1ccc(Cl)cc1 11998801 RZKMFBSDVUFBJJ-GFCCVEGCSA-N 358.800 4.549 0 50 FJAA COc1ccc(-c2noc(CN3CCCC[C@@H]3c3ccc(F)cc3)n2)cc1 12091545 QNYPUDDEEZKIEV-LJQANCHMSA-N 367.424 4.612 0 50 FJAA CCCCC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 13642208 VYUGMWCGDSUKQT-GFCCVEGCSA-N 357.479 4.958 0 50 FJAA CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)C(C)(C)C)O3)cc1 14994106 VJRTZOGOPZICSH-QGZVFWFLSA-N 355.503 4.541 0 50 FJAA CCCCN(Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 15001627 RJJGHDJFLXGNAQ-QHCPKHFHSA-N 364.533 4.870 0 50 FJAA Cc1ccc([C@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)c(C)c1 20607103 CPMNAEYJUMPUPP-AWEZNQCLSA-N 351.475 4.621 0 50 FJAA CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(Cc1cccnc1)CCO2 55052633 OQCHCTQAIQNNQZ-DEOSSOPVSA-N 374.484 4.602 0 50 FJAA CCn1ccnc1[C@H]1CCCN(c2nc3c(C)ccc(F)c3cc2C)C1 91643463 OVTKHPNTGHVXKX-INIZCTEOSA-N 352.457 4.591 0 50 FJAA Cc1cc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)s1 163941951 XGWIKXVSWFCGDJ-FNHZYXHNSA-N 358.507 4.645 0 50 FJAA C/C(=C\c1csc(-c2ccsc2)n1)c1nc2sccc2c(=O)[nH]1 179498132 XBXSRQQGXLIQCG-RMKNXTFCSA-N 357.485 4.730 0 50 FJAA Cl[C@@]12C[C@H]3C[C@@H](C1)[C@H](N[C@@H]1[C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@H](C3)C2 239165217 NRVVIVURBWFXID-MXBLNEEJSA-N 354.365 4.948 0 50 FJAA CCNC(=O)c1cccc(CN[C@H]2CC(C)(C)CCc3ccccc32)c1 436282750 JXZZHINPLWIJJB-NRFANRHFSA-N 350.506 4.630 0 50 FJAA CSc1ccccc1NC(=O)N1CCC(Oc2ccccc2F)CC1 824950935 MOWJZFKJKMYDRY-UHFFFAOYSA-N 360.454 4.623 0 50 FJAA C[C@@H]1CC2(CCOCC2)CN1C(=O)c1sccc1-c1ccc(F)cc1 843722625 GYMLLDFHEZFEOX-CQSZACIVSA-N 359.466 4.585 0 50 FJAA CCC(CC)C(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 849188301 XWKHTJZZUUJEJM-MRXNPFEDSA-N 355.265 4.911 0 50 FJAA Cc1cc(CNCc2csc(C)n2)c(C)c(CN2CCC(C)CC2)c1 952870329 WMDOJPPRUIKLJF-UHFFFAOYSA-N 357.567 4.590 0 50 FJAA CC1(C)CCC[C@H]1NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 1435370547 FCDHQQCOEGLCMK-MRXNPFEDSA-N 350.890 4.755 0 50 FJAA O=C(c1cccc2scnc12)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822857 RZEGGQHAOOHELJ-UHFFFAOYSA-N 372.877 4.633 0 50 FJAA O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1cc(F)ccc1Cl 2325871371 JFKZMRIXLZKEHF-FQEVSTJZSA-N 368.839 4.934 0 50 FJAA Cc1cc2nnn(-c3ncnc4scc(-c5ccccc5)c34)c2cc1C 628215 VIYYKVCGNTWPGP-UHFFFAOYSA-N 357.442 4.709 0 50 FJAA COC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCC2 710741 ALNNRTDZTKNXBV-UHFFFAOYSA-N 364.854 4.711 0 50 FJAA Cc1cc(C)nc(SCC(=O)N2c3ccccc3[C@H](C)CC2(C)C)n1 921900 RDGHYWRMBNPLTF-CYBMUJFWSA-N 355.507 4.505 0 50 FJAA COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1Cl 1118043 STTSQIBCKYWASE-UHFFFAOYSA-N 354.233 4.798 0 50 FJAA O=C(c1ccccc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 1136685 YTJWWVGEEPZOHO-UHFFFAOYSA-N 370.202 4.525 0 50 FJAA COc1cccc(OCCCCOc2ccccc2Br)c1 2904636 JNWOFELXVNTUKD-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA COc1ccc(CNC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 4542972 HQLSSBFEYRVNAT-ACCUITESSA-N 367.832 4.938 0 50 FJAA CCOCCOc1cccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 4811155 SMPOTNDXOSEBDC-KRWDZBQOSA-N 363.457 4.746 0 50 FJAA Cc1cc(C(F)(F)F)c2c(C)nn(-c3ccc(Br)cc3)c2n1 4827095 OQWGAHKKMWJIGB-UHFFFAOYSA-N 370.172 4.819 0 50 FJAA COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)c1 5911398 CRHIFKBJGUGNCB-AZUAARDMSA-N 356.853 4.874 0 50 FJAA CCCCc1nc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c[nH]1 12305748 PDUUIJZKOVTBLS-MRXNPFEDSA-N 359.901 4.501 0 50 FJAA CC(C)(C)c1cc(NCc2cccnc2)n2ncc(-c3ccccc3)c2n1 12421703 ULWMXKCBZPWSHE-UHFFFAOYSA-N 357.461 4.701 0 50 FJAA CCc1c(C)sc(NC(=O)c2cc(Cl)cc(Cl)c2)c1C(=O)OC 17076189 WREGYPDYLQUNJF-UHFFFAOYSA-N 372.273 4.965 0 50 FJAA Cc1nc(-c2ccc(CN(C)[C@@H]3CCCc4ccccc43)cc2)[nH]c(=O)c1C 55100414 QPIJZJWDSVYYIR-JOCHJYFZSA-N 373.500 4.563 0 50 FJAA FC(F)(F)c1cnc2c(c1)[C@H](NCCCc1nc3ccccc3[nH]1)CCC2 132669910 FCVKLJNYECKALD-OAHLLOKOSA-N 374.410 4.577 0 50 FJAA CC[C@@H](C)NC(=O)c1cc(NC(=O)[C@H](C)c2ccccc2)ccc1Cl 230511832 VHWWZAXARPKOKN-ZIAGYGMSSA-N 358.869 4.611 0 50 FJAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccnc2ccccc12 822409925 TXVUGNPMASWXAZ-INIZCTEOSA-N 373.456 4.502 0 50 FJAA O=C(NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCc2c(Cl)cccc21 1354019512 SRENPXUQIYGKMC-AWEZNQCLSA-N 371.761 4.844 0 50 FJAA Cc1cc(=O)c(-c2noc(C=C[C@]3(C)CC[C@H](C)C3(C)C)n2)c2n1CCC2 1857532173 OHWVULYMJWRDKJ-FPTDNZKUSA-N 367.493 4.629 0 50 FJAA CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1 597434 XVGOZDAJGBALKS-UHFFFAOYSA-N 367.512 4.689 0 50 FJAA biogenic,world CC(=O)Nc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 725238 JCJYUVIDWQBARB-JOCHJYFZSA-N 370.452 4.590 0 50 FJAA COc1ccc(NC(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1 1399313 HNYMIBDUKIOVBK-UHFFFAOYSA-N 370.412 4.949 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2oc1=O 2872208 CYINXXSQHHLXAU-UHFFFAOYSA-N 367.710 4.718 0 50 FJAA CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 4853986 AFAJVVVXBCSGPU-MRXNPFEDSA-N 357.251 4.729 0 50 FJAA CC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN12 5666419 FEMOJAYPUQHRMJ-WMZOPIPTSA-N 357.251 4.729 0 50 FJAA Cn1cc(CN2CC[C@H](c3ccc(F)c(F)c3)Sc3ccccc32)cn1 12149769 QJAXURDYPGHPPY-LJQANCHMSA-N 371.456 4.942 0 50 FJAA Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](OCc2ccccc2)C1 12314816 RCWCNYJRTRFYNV-LJQANCHMSA-N 368.502 4.893 0 50 FJAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)s1 15867123 QOKDJJCIWQUEOM-INIZCTEOSA-N 372.490 4.977 0 50 FJAA Cc1ncc(-c2cc(C(=O)N3CCCCCC3)c3ccc(C)c(C)c3n2)cn1 63856246 BJINLQCSANUFCR-UHFFFAOYSA-N 374.488 4.633 0 50 FJAA CN(C)CCc1[nH]c2ccccc2c1C[C@]1(c2ccccc2)CCCCC1=O 71769168 MPINFBBHDGQIRY-VWLOTQADSA-N 374.528 4.896 0 50 FJAA O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)N1CCC[C@H]1c1ccncc1 333134087 XILJGONXJNSAIB-SCNOPHJPSA-N 368.506 4.811 0 50 FJAA CC(C)c1nc(O)ccc1C(=O)N1CCCCC[C@@H]1c1cccc(F)c1 2100539535 MYAPIVXWOQOMAL-GOSISDBHSA-N 356.441 4.807 0 50 FJAA COc1ccc(C(=O)[C@@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 2332237283 QEMWCZNAYAALDL-MRXNPFEDSA-N 360.409 4.576 0 50 FJAA O=C(Nc1cc(Br)cc2cccnc12)c1ccc(Cl)cc1 756266 YCVJZTSUCJMMRC-UHFFFAOYSA-N 361.626 4.903 0 50 FJAA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12 1166607 MVZMTBUGJYSYSR-UHFFFAOYSA-N 371.458 4.868 0 50 FJAA Cc1ccccc1SCCNC(=O)Nc1cc(F)c(F)cc1Cl 2166210 LDBKNXJJJKMJQP-UHFFFAOYSA-N 356.825 4.840 0 50 FJAA Fc1ccc(-c2noc3ncnc(NCCc4ccc(Cl)cc4)c23)cc1 8595072 ISXHTPIVJYRQEK-UHFFFAOYSA-N 368.799 4.732 0 50 FJAA COc1ccc(CN(C)Cc2nc(-c3cccc(C)c3)oc2C)cc1OC 11661602 DJENBXQVEBYLFF-UHFFFAOYSA-N 366.461 4.608 0 50 FJAA Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]1 11819559 RNNMMDIQEOMFIR-FQEVSTJZSA-N 367.880 4.552 0 50 FJAA FC(F)(F)c1cnc(NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 52508097 BFLMHDWRTKQPHJ-UHFFFAOYSA-N 369.818 4.830 0 50 FJAA in-vitro CC[C@@H](c1cccs1)n1cnc(-c2ccccc2)c1-c1cnc(N)nc1 65420990 VLPVETFGFQDGSV-INIZCTEOSA-N 361.474 4.650 0 50 FJAA C[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 65499200 NSTAJWJTVZYFLR-MRXNPFEDSA-N 363.436 4.666 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H](c4nc(C(C)C)no4)C3)oc2c1 91536559 DLOHNOCEGMZSAH-HNNXBMFYSA-N 367.449 4.576 0 50 FJAA O=C(C[C@H]1CCCOC1)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 193563565 CMIRFVLDSZWFTQ-CYBMUJFWSA-N 369.852 4.639 0 50 FJAA O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCCC2(CCOCC2)C1 244605602 FBQMLADOAGZRJO-UHFFFAOYSA-N 353.437 4.526 0 50 FJAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(N2CCCCC2)c1 252483809 FIWLVSNRMNPACJ-INIZCTEOSA-N 369.431 4.872 0 50 FJAA CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC2(CCOCC2)CC1 489520903 SAQHKOBYLZEBDD-UHFFFAOYSA-N 364.917 4.889 0 50 FJAA Cc1nc([C@@H](C)N(C)C(=O)c2csc(-c3ccccc3)n2)c(C)s1 952988083 AXBJIRDDLONTDE-LLVKDONJSA-N 357.504 4.717 0 50 FJAA Cc1cccc(C)c1[C@@H](C)NCc1cc2c(c(-c3ccncc3)c1)OCO2 1875267056 BCYKOAKDUQNJFY-QGZVFWFLSA-N 360.457 4.945 0 50 FJAA O=C(O)c1ccccc1C(=O)O[C@@H](c1ccccc1)c1ccccc1Cl 638645 YKSUSBZFUCVFQJ-IBGZPJMESA-N 366.800 4.985 0 50 FJAA Cc1c(C(=O)NCc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 651580 XWQSBCAVIUGPBQ-UHFFFAOYSA-N 367.452 4.778 0 50 FJAA O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccccc2F)CC1 671563 NWFKIIGQRXPPFT-UHFFFAOYSA-N 374.868 4.656 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 951819 ITBNUOODQIXHRZ-NSHDSACASA-N 357.475 4.529 0 50 FJAA COc1ccc(-c2noc([C@@H](C)Oc3cccc(Cl)c3)n2)cc1OC 1140696 NXCQIIFVCOPJPK-LLVKDONJSA-N 360.797 4.547 0 50 FJAA CCN(C)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12 63857252 FCIABGJARKMEHB-UHFFFAOYSA-N 362.477 4.524 0 50 FJAA CCOc1ccccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1Cl 230138477 MKRSPSDVOHMMQT-UHFFFAOYSA-N 374.868 4.976 0 50 FJAA CC[C@@H](C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1c(C)noc1C 331078022 WLGONJFHXOLTLO-UKRRQHHQSA-N 363.527 4.893 0 50 FJAA CCc1oc2c(NC(=O)N3CCC[C@H](OC)C3)cc(Cl)cc2c1C 426510194 UCMGAIWPKHLLFL-ZDUSSCGKSA-N 350.846 4.600 0 50 FJAA CC(=O)c1cccc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)c1 426521531 VSYZZLWXUBZMEO-QFIPXVFZSA-N 365.473 4.587 0 50 FJAA O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@@H]1Cc2ccccc21 763010247 HYROPWPAVRBESK-PKTZIBPZSA-N 357.453 4.631 0 50 FJAA Cc1noc(NC(=O)c2ccc([C@@H]3CCCO3)s2)c1-c1ccccc1 1506403463 BNTZPMZFJUFGIY-AWEZNQCLSA-N 354.431 4.815 0 50 FJAA Cc1ccccc1-c1ncc(-c2nccn2CC[C@@H]2CCCCO2)s1 1857692745 RZHMBJJKGFBVAN-INIZCTEOSA-N 353.491 4.941 0 50 FJAA COC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 682309 MCCZMGGVOYHCCW-UHFFFAOYSA-N 359.425 4.634 0 50 FJAA Cc1cc(OCc2cccc(Br)c2)c2c(C)cc(=O)oc2c1 1108384 YKOWCSJPTZEEIS-UHFFFAOYSA-N 359.219 4.751 0 50 FJAA biogenic O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Br)cc1F 1113829 DNOKIZZLDMKVOT-QPJJXVBHSA-N 354.606 4.894 0 50 FJAA CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O 1172788 UDNXWOGYBDQEOW-YBEGLDIGSA-N 359.834 4.585 0 50 FJAA O=C(CSc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccccc1 1176348 HIBJRGFBGGDKQD-UHFFFAOYSA-N 355.242 4.512 0 50 FJAA O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1 1181705 HFRCSMFUSCQXKM-VOTSOKGWSA-N 351.258 4.520 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCC2 2755617 GLKVAVZYARMPPQ-UHFFFAOYSA-N 361.463 4.738 0 50 FJAA C[C@@H](SCc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 2985384 WVCHUUJKIDLXGA-CQSZACIVSA-N 365.951 4.870 0 50 FJAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 4113524 VFAMKOZCHPXHQJ-FQEVSTJZSA-N 366.461 4.591 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)c2cccc(OCCC)c2)cc1 5046884 XKRTUGBEUPIFEB-UHFFFAOYSA-N 355.434 4.685 0 50 FJAA CCCc1cc(-n2cnc3ccccc32)n2ncc(-c3ccccc3)c2n1 5245989 SOVRRROZAPQHAL-UHFFFAOYSA-N 353.429 4.688 0 50 FJAA CCOc1ccc(C(=O)[C@H](CN2CCCCCC2)c2ccccc2)cc1 5718695 FJJMGJUYIRDJOQ-JOCHJYFZSA-N 351.490 4.928 0 50 FJAA Cc1ccc(CSCc2nnc(S)n2-c2ccc(Cl)cc2)cc1 6400759 IRYRGNJINGELSC-UHFFFAOYSA-N 361.923 4.951 0 50 FJAA Cc1csc([C@H](C)N(C)Cc2nc(-c3cc(F)ccc3F)oc2C)n1 12020588 XKGPQAXUGQPJDO-NSHDSACASA-N 363.433 4.886 0 50 FJAA CCOc1ccc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)cc1 12757755 QAMVGRAHPMRQNW-UHFFFAOYSA-N 373.924 4.556 0 50 FJAA Clc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 15078054 HUGSZSMOTITATO-NRFANRHFSA-N 362.864 4.692 0 50 FJAA Oc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 20204988 LBXMJTZJMWXMSL-KRWDZBQOSA-N 367.880 4.815 0 50 FJAA Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1ccccc1Cl)C2 64103167 VBPNYTMDSRXZOL-UHFFFAOYSA-N 366.848 4.502 0 50 FJAA CC(=O)c1ccc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cn2cccn2)cc1 65382001 ILLLHSHDWXWSFE-KRWDZBQOSA-N 370.456 4.877 0 50 FJAA CCOCCn1cnc(-c2ccccc2)c1-c1ccc(-c2cncnc2)cc1 65419288 UBKOUMFBTPHSDG-UHFFFAOYSA-N 370.456 4.711 0 50 FJAA O=C(c1ccco1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67688721 TWGKJTYRBUCXGP-UHFFFAOYSA-N 369.424 4.535 0 50 FJAA CCc1nc(N[C@H](C)c2cc(OC)c(OC)cc2F)c2ccsc2n1 301812130 FDJRYQPZWXHMIG-SNVBAGLBSA-N 361.442 4.583 0 50 FJAA Cc1ccc(Cl)c(-c2ccc(C(=O)N3CCCN4CCC[C@H]4C3)cc2)c1 584886119 PNAOZAZVHVHLIB-IBGZPJMESA-N 368.908 4.626 0 50 FJAA C[C@@H](NC(=O)[C@H](c1ccccc1)n1cccc1)C12CC3CC(CC(C3)C1)C2 888105011 ULWDXTLUCHYVAS-DZRJQFROSA-N 362.517 4.799 0 50 FJAA Fc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 633957 BFQKOOUXEDUCTH-HZPDHXFCSA-N 363.223 4.870 0 50 FJAA COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Br 756373 ISNGXHUXJWLZHL-UHFFFAOYSA-N 374.156 4.729 0 50 FJAA CC1(C)Cc2ccccc2-c2nnc(-c3ccc(Br)cc3)n21 813357 AMYLUVBFQNSLRI-UHFFFAOYSA-N 354.251 4.666 0 50 FJAA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)NCc2ccccc2)c1 1054971 VVEKIGCZKGIDHT-HSZRJFAPSA-N 355.481 4.926 0 50 FJAA Cc1ccccc1OCc1nnc(SCc2cccc(Cl)c2)n1C 1131318 DEPQFXYDPVDEGY-UHFFFAOYSA-N 359.882 4.648 0 50 FJAA COC(=O)c1cn(C(=O)c2ccccc2-c2ccccc2)c2ccccc12 1132208 DYAKHTYZUFQQGP-UHFFFAOYSA-N 355.393 4.783 0 50 FJAA Brc1ccc(-c2noc(-c3ccccc3Br)n2)o1 1444223 NZCDUBJBRAKELY-UHFFFAOYSA-N 370.000 4.522 0 50 FJAA COc1cccc(OCc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)c1 2762772 ASYRNQGZDPNPNU-UHFFFAOYSA-N 365.404 4.974 0 50 FJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cnn(Cc2ccc(F)cc2)c1 4175265 FUBFKBRYHSIQKG-UHFFFAOYSA-N 367.468 4.616 0 50 FJAA Fc1ccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)cc1Cl 6402263 PPBMNDFFQSILBI-UHFFFAOYSA-N 372.227 4.732 0 50 FJAA CCCN(CC1CC1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 12314887 ZBKBHCJHWNGLGV-UHFFFAOYSA-N 373.909 4.978 0 50 FJAA Cc1ccc(-c2nc(NCCc3cccnc3)ncc2-c2ccncc2)cc1 65405199 XFEHGTBOJXUSPK-UHFFFAOYSA-N 367.456 4.564 0 50 FJAA COc1ccccc1-c1nnc(SCCCF)n1CCc1ccccc1 131028985 FMSLUVXYMPVGEN-UHFFFAOYSA-N 371.481 4.648 0 50 FJAA CN(CC1CN(C(c2ccccc2)c2ccccc2)C1)C(=O)OC(C)(C)C 202650937 PTZNHGUSSATYQK-UHFFFAOYSA-N 366.505 4.575 0 50 FJAA in-vitro O=C(O[C@H](c1ccc(Br)cc1)C1CC1)[C@@H]1C[C@H]1c1ccco1 242302174 YQBPAMOYCMYTSO-INMHGKMJSA-N 361.235 4.840 0 50 FJAA CCCc1cc(-c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)nc(C)n1 534633477 KLZGZUOMQHYHEJ-UHFFFAOYSA-N 363.461 4.578 0 50 FJAA O=C(OCc1nc2c(F)cccc2o1)[C@@H]1CCC[C@@H]1Cc1ccccc1 1875342995 BYHLDWNVTYYCPP-HZPDHXFCSA-N 353.393 4.669 0 50 FJAA C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1C[C@@H]1c1ccccc1 2325728258 BKLZDBVKALOLFV-WQTXXOFMSA-N 358.441 4.796 0 50 FJAA O=C(c1csc2ccccc12)N1CCOC[C@@H]1c1cccc(Cl)c1 2325864685 WQOMISUXSYBTAE-QGZVFWFLSA-N 357.862 4.768 0 50 FJAA COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1 630624 BENWJKZCXPWGJN-UHFFFAOYSA-N 370.246 4.792 0 50 FJAA CC(C)(C)c1ccc(OCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 722905 BUGOXTHGTDYEGJ-UHFFFAOYSA-N 367.367 4.900 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1 978495 LAVNFCHTNJMESL-UHFFFAOYSA-N 351.427 4.844 0 50 FJAA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)C1CCCC1 1000957 RTPJJVXMOFCFCM-UHFFFAOYSA-N 366.292 4.984 0 50 FJAA CCOc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2C)cc1 1170109 WXIVCVHWIAUPAT-UHFFFAOYSA-N 356.422 4.909 0 50 FJAA CCOc1ccc2nc(SCc3cccc(C(=O)OC)c3)sc2c1 1212000 PVLBWGISXRRIGN-UHFFFAOYSA-N 359.472 4.774 0 50 FJAA COC(=O)[C@H](C)N(C(=O)c1cccc2ccccc12)c1c(C)cccc1C 1229605 PGKLIYBZNQIVLO-KRWDZBQOSA-N 361.441 4.665 0 50 FJAA Cc1ccc(-c2cncnc2[C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)cc1 11787919 XKGAHVYRHFXIDR-VQTJNVASSA-N 361.489 4.514 0 50 FJAA Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(C)ccc2O)cc1 100394070 WYHSUVLZDYDTEB-OAQYLSRUSA-N 357.409 4.593 0 50 FJAA COc1ccc(Br)cc1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 100418045 SUBBQDRJHKFJLQ-QAPCUYQASA-N 352.316 4.858 0 50 FJAA CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1 225444265 JISIZIKSKXOTMC-INIZCTEOSA-N 370.518 4.899 0 50 FJAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 239310143 IFQFHZGZUDQILT-ZNOIYHFQSA-N 367.832 4.834 0 50 FJAA CCC(C)(C)C1CCC2(CC1)C[C@H]2c1nc(C2(OC)CCOCC2)no1 329690711 WDBSCRUMRFHUFT-NGEICVOHSA-N 362.514 4.822 0 50 FJAA CCN(Cc1nc(C)no1)C(=O)c1ccc(-c2cccc(Cl)c2C)cc1 426615548 OTKNSOVWWMTKLX-UHFFFAOYSA-N 369.852 4.669 0 50 FJAA Cc1cccc(C)c1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 456067045 URKSSEIYPMVCBF-UHFFFAOYSA-N 368.424 4.799 0 50 FJAA Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1OCCC(C)C 739660478 JBJKHMNFWMZAMJ-UHFFFAOYSA-N 365.429 4.779 0 50 FJAA O=C([C@H]1C[C@@H]1c1ccccc1)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 1565511771 LVTSPAFZHMYIKK-AOHZBQACSA-N 369.464 4.953 0 50 FJAA Cn1c(OCC(C)(C)c2ccc(Cl)c(Cl)c2)nc2cnccc21 1875326441 BOBLZWFVVXNVGT-UHFFFAOYSA-N 350.249 4.632 0 50 FJAA CCCCc1nc(-c2scc(OC)c2OC)n(-c2ccccc2CC)n1 1875349368 UZGZQVSMHAICDQ-UHFFFAOYSA-N 371.506 4.918 0 50 FJAA COc1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1-c1ccccc1 2325817089 AQRSZNGFPFRRMI-UHFFFAOYSA-N 373.861 4.816 0 50 FJAA O=C(Cc1ccccc1)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 808631 ZXYDFPDPQCHNHQ-HNNXBMFYSA-N 374.720 4.834 0 50 FJAA O=C(CCc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 1142982 DTQVGKKHKGCNRN-UHFFFAOYSA-N 369.424 4.975 0 50 FJAA CCc1ccc(OCC(=O)Nc2ccc(Cl)c(Br)c2)cc1 1163465 NNFFSCHJSNMZKN-UHFFFAOYSA-N 368.658 4.682 0 50 FJAA COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 1168650 WTGXQBVTYNUFEQ-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA Cc1ccccc1N1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1 1460269 YEAOULCGHYNREB-BUHFOSPRSA-N 356.469 4.510 0 50 FJAA O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(F)cc1 2792107 PXZPNHTXYKMCLD-UHFFFAOYSA-N 364.348 4.803 0 50 FJAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)cc1 4810175 HEHPFRMSYULJOT-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)CCc1ccccc1 5077881 VOLQUORQMIKWRZ-ROUUACIJSA-N 364.489 4.661 0 50 FJAA COC[C@H](C)Oc1cccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)c1 12042337 JDJOOVJXGZPILR-HNNXBMFYSA-N 373.880 4.559 0 50 FJAA COc1cccc(-c2ccccc2NC(=O)C2CCN(C3CCC3)CC2)c1 12432413 WOJNFWXGRSGCGO-UHFFFAOYSA-N 364.489 4.565 0 50 FJAA Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)c2cccc3ccccc23)C1 12457081 TYRKRNZHSZBDJY-QGZVFWFLSA-N 363.482 4.945 0 50 FJAA Cc1ccc2c(c1)CN(C(=O)c1csc(-c3cccs3)n1)C[C@@H](C)O2 15004512 HZGCHZALHJNOHN-CYBMUJFWSA-N 370.499 4.603 0 50 FJAA Fc1ccccc1[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 20905902 FDTBVJTVULTNGJ-CQSZACIVSA-N 357.816 4.519 0 50 FJAA Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1Cc1cccnc1)OCO2 65430131 HRJJPRUAZZNRIS-UHFFFAOYSA-N 369.424 4.698 0 50 FJAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](CCc4ccccc4C)C3)c2c1 71748196 QSKGSTUFONNLDU-GOSISDBHSA-N 361.489 4.665 0 50 FJAA Oc1ccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)cc1 72167359 OGOWAYNHHKETJZ-UHFFFAOYSA-N 363.804 4.748 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CCCC[C@H]1c1nccs1 82108958 MYIWHRKEBRSJPB-LBPRGKRZSA-N 361.517 4.696 0 50 FJAA Cc1ccc(NC(=O)CSc2nccn2C(C)(C)C)cc1C(F)(F)F 170607916 WAKNRAQCSKRGJT-UHFFFAOYSA-N 371.428 4.696 0 50 FJAA Clc1ccc([C@@H](NCc2ccc(Cn3ccnc3)cc2)C2CC2)cc1 180011540 KAOGYOMIMIKTEE-NRFANRHFSA-N 351.881 4.826 0 50 FJAA COCC[C@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3F)cc2)C1 426705583 DFXMVCFYFRZJGU-OAHLLOKOSA-N 359.416 4.521 0 50 FJAA Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@H]1CCN2CCCC[C@@H]12 462870067 YSEOOMHSDYMMNT-ROUUACIJSA-N 357.885 4.550 0 50 FJAA CC[C@H](NC(=O)c1ccc(-c2ccc(C(C)C)nn2)cc1)c1cc(C)ccn1 584902068 PEGYFOFMXPHVFS-IBGZPJMESA-N 374.488 4.852 0 50 FJAA O=C1C[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccc2ccccc2c1 1027494 DIDUOUNEHXSQTE-JOCHJYFZSA-N 366.420 4.737 0 50 FJAA O=C(CCCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 1027757 MAZASFYJMRFJPA-UHFFFAOYSA-N 351.233 4.741 0 50 FJAA CCCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)c(Cl)cc12 1162432 RJYCRMMFRZGLKK-UHFFFAOYSA-N 358.821 4.987 0 50 FJAA biogenic Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 1221158 UMVGPXDNFYVWEO-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(OC)c1 1863191 IUFGFAQKPFUFQV-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA Cc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 2875619 KZYYRRLBHCDGCA-UHFFFAOYSA-N 363.461 4.914 0 50 FJAA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccc(Cl)cc1 2878921 VEOCAMKZCMGQOA-UHFFFAOYSA-N 354.789 4.544 0 50 FJAA biogenic OCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 3014449 BUMSRYIYNKMZMR-UHFFFAOYSA-N 352.457 4.967 0 50 FJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(F)c1 4868139 JDQJQBOEYBRKSX-UHFFFAOYSA-N 373.815 4.580 0 50 FJAA Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 4910862 JLBXJGATYZPESO-GOSISDBHSA-N 365.473 4.973 0 50 FJAA CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(C)c(Cl)c3)c12 8596034 WQJQCRBQTANJMT-UHFFFAOYSA-N 359.813 4.722 0 50 FJAA Cc1nc2cc(NC(=O)N3CCC[C@H]3c3c(C)noc3C)ccc2s1 95521187 NSJUAUGOMSUXAO-HNNXBMFYSA-N 356.451 4.579 0 50 FJAA C=CC(=O)Nc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1F 136565078 BCLNNLUGIHCJIH-RBUKOAKNSA-N 374.415 4.846 0 50 FJAA C[C@H]1CCCN(CCNC(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 584887759 KIVINMHZVDNEOF-HNNXBMFYSA-N 374.887 4.608 0 50 FJAA COc1cc(NC(=O)C[C@@H](C)c2ccccc2)ccc1NC(=O)CC(C)C 824596684 JXGNEISVYNHLJW-MRXNPFEDSA-N 368.477 4.812 0 50 FJAA C[C@@H](NC(=O)c1ccc[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1875262838 SPNCHRUDUVDRRI-SECBINFHSA-N 366.273 4.936 0 50 FJAA CC(C)(C)c1ocnc1CNC(=O)Nc1ccc([C@@]2(C)CC2(F)F)cc1 2325790077 LKCQGGNGDOTWIL-GOSISDBHSA-N 363.408 4.591 0 50 FJAA COc1cccc([C@@H](NCC23CCOC(C)(C2)C3)c2ccc(Cl)cc2)c1 2325829310 FYPOCQJNQAVCRH-HWELCPFYSA-N 371.908 4.987 0 50 FJAA CCCC(=O)Nc1c(Br)cc(Cl)cc1Br 640818 FPIWMPVFGXIYGJ-UHFFFAOYSA-N 355.457 4.604 0 50 FJAA O=C(C[C@H]1Sc2ccccc2N=C1O)Nc1cccc(C(F)(F)F)c1 712208 HKQKDMBOGKNTGK-CQSZACIVSA-N 366.364 4.797 0 50 FJAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1 1116657 HFVVPLHCJKTSKS-GFCCVEGCSA-N 374.506 4.542 0 50 FJAA aggregator O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@H]1CCCCN1 1729523 VKLJPGAHSLIQKH-CTNGQTDRSA-N 352.865 4.731 0 50 FJAA in-vitro CCOC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1752684 ZYLLRSVNUKVQIR-UHFFFAOYSA-N 352.312 4.526 0 50 FJAA Clc1ccc(-c2csc3ncnc(NCCCn4ccnc4)c23)cc1 2684048 DCAYWQGWUWDNIC-UHFFFAOYSA-N 369.881 4.710 0 50 FJAA CCCCc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 2853562 DEYVCFOXHCMQQR-UHFFFAOYSA-N 358.441 4.781 0 50 FJAA COc1ccc(-c2c(C(F)(F)F)oc3c(C)c(O)ccc3c2=O)cc1 5611632 XBKSXCPTSGLFGY-UHFFFAOYSA-N 350.292 4.501 0 50 FJAA COc1ccc(Nc2ncc(CN[C@@H]3CCc4ccccc43)s2)cc1 23429530 MFBVMEIYOQAHNR-LJQANCHMSA-N 351.475 4.672 0 50 FJAA CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)no1 64984717 XVYLYZUMYMMISC-MRXNPFEDSA-N 351.809 4.789 0 50 FJAA CCOC1CCN(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)CC1 65500087 XKRPDGRMUMOAGW-UHFFFAOYSA-N 366.505 4.557 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3cccnc23)cc1 77385480 DXTHQNRORSBOGL-JOCHJYFZSA-N 373.500 4.664 0 50 FJAA COc1ccccc1[C@H](c1ccccn1)[C@@](C)(O)c1cccc(Cl)c1 96027060 REIVRNUGXIAAIZ-RTWAWAEBSA-N 353.849 4.783 0 50 FJAA Cc1ccccc1CNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 238791233 HNFCMRKKWDPNKF-SFHVURJKSA-N 357.453 4.646 0 50 FJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2cc(C)cc(C)n2)c1 299757143 IEUQBRILBMPFNE-QFIPXVFZSA-N 359.473 4.984 0 50 FJAA CCN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1c1ccccc1 1875355016 XJOXZZWWRRFYRG-FQEVSTJZSA-N 371.912 4.541 0 50 FJAA CCCC[C@H](CC)CNC(=O)c1cccc2c1nc(O)n2CC(C)(C)C 1875356608 NBXAZXSZGYJPST-HNNXBMFYSA-N 359.514 4.734 0 50 FJAA COc1ccc2c(c1)nc(SCC(=O)C(C)(C)C)n2Cc1ccccc1 992588 HDRSISOQHXYKGQ-UHFFFAOYSA-N 368.502 4.801 0 50 FJAA Cc1ccccc1NC(=O)Nc1nnc(COc2cccc(C)c2C)s1 1247758 SEZCHDBKHYZQQF-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 2734838 XNSJEUZZNVQOCP-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1C[C@H]1c1ccccc1 2739122 IQVVOUAPHKYSMH-QWHCGFSZSA-N 373.275 4.801 0 50 FJAA Cc1cc(Br)ccc1OCC(=O)Nc1cccc2c1CCCC2 3461643 OFYBOXIIKLJGNJ-UHFFFAOYSA-N 374.278 4.654 0 50 FJAA O=C(NCc1ccccc1Cl)c1cccc(OCc2ccccc2)c1 4821389 ODZQJXOBLAIHHG-UHFFFAOYSA-N 351.833 4.849 0 50 FJAA CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4911110 SYRFHSIPPONBQF-CYBMUJFWSA-N 359.853 4.846 0 50 FJAA Cc1cccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3ccccc3n2)c1 6924396 VYDWCAZDOORLPJ-UHFFFAOYSA-N 356.429 4.504 0 50 FJAA CCCCSCc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 9302181 LDHQDFOGNADUKO-UHFFFAOYSA-N 354.519 4.838 0 50 FJAA biogenic CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 64801229 ZYUWRQWLIOXSKW-UHFFFAOYSA-N 362.437 4.604 0 50 FJAA c1ccc(-c2ncn(C[C@H]3CCCO3)c2-c2cccc3cnccc23)cc1 65503908 ZTWBGUIZEMLILJ-LJQANCHMSA-N 355.441 4.944 0 50 FJAA FC(F)(F)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)nc1 72144897 GPTIDBBOYRVTAJ-UHFFFAOYSA-N 369.350 4.651 0 50 FJAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCCC[C@@H]3c3cc(C)on3)c2c1 77486183 WLZMQCBIXHWGSM-HXUWFJFHSA-N 363.461 4.824 0 50 FJAA COc1ccccc1-c1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1 220604846 WFNLUGDUWYYQCQ-UHFFFAOYSA-N 358.441 4.562 0 50 FJAA CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)C1=Cc2ccccc2CC1 732988691 XQALIKARSQYEIC-NRFANRHFSA-N 355.503 4.633 0 50 FJAA O=C(NCc1cc2cc(Br)ccc2o1)c1cc2ccccc2o1 1438975779 ZQTMKMKUWDKHPC-UHFFFAOYSA-N 370.202 4.872 0 50 FJAA OCC1([C@@H](NCc2cccc(O)c2Cl)c2ccccc2)CCCCC1 1474581435 NGOFAGWVXQHHNM-FQEVSTJZSA-N 359.897 4.819 0 50 FJAA Cc1ccc2c(N)c(C(=O)Nc3c(Cl)cccc3Cl)sc2n1 803776 LPYZVTJNMMOTAW-UHFFFAOYSA-N 352.246 4.746 0 50 FJAA CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 1061181 ZLYIRZAQFXPDRO-UHFFFAOYSA-N 365.863 4.550 0 50 FJAA C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 1129141 LGRVTQRSFAJKGX-ZDUSSCGKSA-N 358.279 4.819 0 50 FJAA Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 1157984 XTAKIXRALSBWKB-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 1170153 UTEYIOYFVPIFSA-UHFFFAOYSA-N 351.233 4.840 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 1187848 LUAHKRIYEVVXKO-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA Cc1c(C)n(C)c2ccc(C(=O)Nc3cccc(Br)c3)cc12 2760919 ZSRUHVCXEWMRCD-UHFFFAOYSA-N 357.251 4.810 0 50 FJAA Cc1nc2ccccc2n1C[C@H](O)Cn1c2ccccc2c2ccccc21 3018300 JPPYNSLIOBRLRO-KRWDZBQOSA-N 355.441 4.514 0 50 FJAA COc1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c1 4419903 ATLUCVLITXQXDB-CCEZHUSRSA-N 354.409 4.565 0 50 FJAA COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 4589275 UHXGKGITLLMKJM-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA Cc1ccccc1Cn1cc(NC(=O)c2cccc(C(F)(F)F)c2)cn1 4750234 GDDCUMWDJOPADC-UHFFFAOYSA-N 359.351 4.511 0 50 FJAA CCCc1cc(=O)oc2c(C)c(OC(=O)c3ccccc3OCC)ccc12 4811070 WFOWRESBJVYGBX-UHFFFAOYSA-N 366.413 4.672 0 50 FJAA O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2F)cc1 6658517 BNXARBMVTOERSS-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccccc1Cl 6699125 QHGMCQSYHSQURU-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA Cc1oc(-c2ccsc2)nc1CN1CCC([C@H](O)c2cccs2)CC1 12472917 NNNSBCXAYMNYKU-SFHVURJKSA-N 374.531 4.719 0 50 FJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc2ccccc2c1 43769756 HLNGTXVJYKEYLD-FYYLOGMGSA-N 356.469 4.596 0 50 FJAA O=C(c1ccccc1Cl)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67786501 DGWAKPXPWFIDOT-INIZCTEOSA-N 370.663 4.861 0 50 FJAA C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccn(C3CCCC3)n2)C2CC2)o1 130619714 XRCVGPXJAATXFB-RDTXWAMCSA-N 353.466 4.519 0 50 FJAA Cc1ccc(-c2ncccc2NC(=O)N2CCC[C@H]2c2cccn2C)s1 189474497 LCMGNHIBPFMPEM-KRWDZBQOSA-N 366.490 4.826 0 50 FJAA C=CC(=O)N(Cc1ccsc1C)C[C@H]1CCCc2cc(OC)ccc21 1875386231 LJODEQRABXVWIN-GOSISDBHSA-N 355.503 4.700 0 50 FJAA CSc1nc2c(c(=O)n1Cc1ccccc1)C(C)(C)Cc1ccccc1-2 837206 VRJVQLFXTQPDQT-UHFFFAOYSA-N 362.498 4.514 0 50 FJAA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)C(Cl)(Cl)Cl 1207632 HQBDEOXZWXOOIU-UHFFFAOYSA-N 373.598 4.943 0 50 FJAA CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 1218430 PGWOGCYGCLMYHL-LFYBBSHMSA-N 368.908 4.825 0 50 FJAA Cc1ccc(Cl)cc1-n1ncc2c(NCc3ccc(F)cc3)ncnc21 4354760 SDTNODZUBDSZDC-UHFFFAOYSA-N 367.815 4.529 0 50 FJAA COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3sccc32)cc(OC)c1OC 4784314 MKYPUXHLVJDKEN-YEWWUXTCSA-N 360.475 4.920 0 50 FJAA CC1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 5500038 WMAKCSUVONRKJI-MRXNPFEDSA-N 357.251 4.729 0 50 FJAA CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 5610449 XRYYEEDZIFKBOB-FYYLOGMGSA-N 371.440 4.723 0 50 FJAA COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(C)C)c(F)c1 12093474 CQHZYTTUFJHIKP-UHFFFAOYSA-N 353.441 4.527 0 50 FJAA Cc1ccccc1OCCn1c([C@@H](O)c2ccccc2)nc2ccccc21 12463136 NFSWTILGCUYVDQ-QFIPXVFZSA-N 358.441 4.505 0 50 FJAA Cc1ccc(-n2cccn2)c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1 12718134 UQMCKPLIGNKXGU-SFHVURJKSA-N 371.488 4.526 0 50 FJAA Cc1cccnc1-c1cccc(-c2ccn(Cc3cncn3C(C)C)n2)c1 19148574 ZKAZKCISLDJARB-UHFFFAOYSA-N 357.461 4.746 0 50 FJAA c1ccc(C(C[C@@H]2CN(Cc3nccs3)CCO2)c2ccccc2)cc1 20212153 CXAOYRVDBWZKRI-HXUWFJFHSA-N 364.514 4.566 0 50 FJAA Cc1noc(C)c1NC(=O)c1ccc([C@@H]2CCCN2C/C=C/C(C)C)s1 20537105 OCZKARXEBDLTQR-YERXGYGTSA-N 373.522 4.954 0 50 FJAA Clc1ccc(Br)cc1Cc1ccc(O[C@H]2CCOC2)cc1 34775526 HUNLNKBDQXGMAP-INIZCTEOSA-N 367.670 4.861 0 50 FJAA in-vitro CC(C)n1ccnc1CN1CCc2n[nH]c(-c3cccc4ccccc34)c2C1 67886175 RBMLSUXFSVCUDD-UHFFFAOYSA-N 371.488 4.566 0 50 FJAA COc1ccc([C@@](C)(O)[C@H](c2ccc(Cl)cc2)c2ccccn2)cc1 71767129 JZQKTTVXWBFJEY-NHCUHLMSSA-N 353.849 4.783 0 50 FJAA Cc1cccc([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)c1C 129401004 FWEWLHJHKDPDJY-GOSISDBHSA-N 359.473 4.802 0 50 FJAA CC(=O)N1N=C(c2cc(C)oc2C)C[C@@H]1c1cc(Cl)ccc1Cl 170615308 PCNSETQGXHMSRO-QGZVFWFLSA-N 351.233 4.901 0 50 FJAA O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1C[C@H]1c1c(F)cccc1Cl 170635773 ISZJDLKIEWEXHY-HUUCEWRRSA-N 367.811 4.678 0 50 FJAA CC(=O)N(Cc1ccc(NC(=O)c2ccccc2CC(C)C)cc1)C(C)C 252485021 GMMTYGHUNUHGSK-UHFFFAOYSA-N 366.505 4.894 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 822975690 PRQIFMHMBXFRMF-LJQANCHMSA-N 350.462 4.681 0 50 FJAA CC(=O)N[C@@H](C)c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325720892 LPHPZOXATPINPD-LBPRGKRZSA-N 355.438 4.890 0 50 FJAA COc1ccnc(CSc2ccccc2C(=O)N[C@H]2CC[C@H](C)CC2)c1 2325895209 CIHLHRWDMMEPMR-WKILWMFISA-N 370.518 4.691 0 50 FJAA Cc1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1 1145158 JHEKUONIPZDJKY-UHFFFAOYSA-N 360.280 4.631 0 50 FJAA CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)nc1C 1154464 NNEXXFAAJKIWHL-FMIVXFBMSA-N 372.490 4.578 0 50 FJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)c3ccco3)ccc12 1164897 FFVDTUCIUDNLEY-UHFFFAOYSA-N 360.365 4.504 0 50 FJAA biogenic CCc1c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)csc1C 2755028 WVPHBMIWJVFDRB-UHFFFAOYSA-N 362.926 4.543 0 50 FJAA CCOc1ccccc1NC(=S)Nc1cc(C)ccc1OC(F)F 2851876 MSFZXLVBBWUJIY-UHFFFAOYSA-N 352.406 4.804 0 50 FJAA COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1 4532226 JEJBPHYWZWXQDE-JOCHJYFZSA-N 372.424 4.749 0 50 FJAA CC(=O)c1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1C 4565054 UPLVGYWZPKKOBQ-CYBMUJFWSA-N 357.460 4.664 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2)cc1OC 4869944 IMZPLURAVGSWQT-UHFFFAOYSA-N 354.450 4.639 0 50 FJAA CCOc1ccccc1CN[C@@H](C)c1cnn(-c2cccc(F)c2)c1C 12457953 LHOJMTGIJDZYIT-HNNXBMFYSA-N 353.441 4.569 0 50 FJAA CCCCc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 13324879 KUHFRCMAVMTPGP-UHFFFAOYSA-N 367.493 4.505 0 50 FJAA CCc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(Cl)cc1 20166540 POSVHCKGVFJZCN-CQSZACIVSA-N 357.885 4.551 0 50 FJAA COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CC1CCOCC1 65394200 ROGWEXGHFYEWFJ-UHFFFAOYSA-N 366.436 4.791 0 50 FJAA COc1ccc(-c2c(-c3ccccc3)ncn2CCOC(C)C)c(F)c1 65529325 KALNCOSIKXBTER-UHFFFAOYSA-N 354.425 4.790 0 50 FJAA Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1Cl 226392902 BTYRELSNOQTVBI-BEUFEYIVSA-N 365.860 4.578 0 50 FJAA O=[N+]([O-])c1c(Oc2ccc(F)c(Br)c2)ccc2ncccc12 318084838 LUFQJCUSZFMNPA-UHFFFAOYSA-N 363.142 4.837 0 50 FJAA CCCn1c(C)nc2cc(NC(=O)c3sc(C(C)C)nc3C)ccc21 952966100 GARYPEPATFSPNQ-UHFFFAOYSA-N 356.495 4.895 0 50 FJAA Cc1cc(NC(=O)c2ccc3cccc(Cl)c3n2)n([C@H](C)C2CC2)n1 1529095596 RABJVZWMAMSMRO-GFCCVEGCSA-N 354.841 4.616 0 50 FJAA CC(C)C1CCC([C@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325841144 FSEWDTMPBCCCTP-MUEFNIMKSA-N 357.538 4.509 0 50 FJAA COc1ccc(-c2sc(-c3nccn3C[C@@H](C)OC)cc2C)cc1F 2356161916 PQRKOAOGVZJWDO-CYBMUJFWSA-N 360.454 4.770 0 50 FJAA CCn1cc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cn1 652989 GVXDZZVMXBLTOI-VQHVLOKHSA-N 366.490 4.604 0 50 FJAA Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccc(C)cc2C)cc1 711589 GJUGNQSYIRZJRK-KGENOOAVSA-N 374.440 4.614 0 50 FJAA O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 825889 YQVXJRDLWYHZJB-AWEZNQCLSA-N 374.651 4.688 0 50 FJAA CCOc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 948246 MZORMPUPPAOPPS-UHFFFAOYSA-N 352.459 4.780 0 50 FJAA COc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccc(C)cc2O)cc1 985732 AEKPQFPNCXYSEN-OAQYLSRUSA-N 361.441 4.870 0 50 FJAA O=C1c2ccccc2-c2nn(C(=O)c3ccc(Cl)s3)c3cccc1c23 1112623 UPAJSVMKJDYOJX-UHFFFAOYSA-N 364.813 4.651 0 50 FJAA Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1Cl 1165981 VKLPBTJPXLSJGU-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 1179861 QXGRQLYNDJVPJR-UHFFFAOYSA-N 368.458 4.563 0 50 FJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1 2360873 FRPCPPNWJNGLQH-UHFFFAOYSA-N 372.425 4.777 0 50 FJAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Br 2786404 MOPUOWYNYXHHGO-UHFFFAOYSA-N 374.135 4.625 0 50 FJAA O=C1Nc2ccccc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 4124468 BSOAGODEMKWJIG-UHFFFAOYSA-N 363.420 4.936 0 50 FJAA biogenic O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(O)c1 4438110 AKDCIHDLZCUSSK-JLHYYAGUSA-N 374.827 4.915 0 50 FJAA CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C1=O 4754606 QDLPJPMHOKANGM-PDGQHHTCSA-N 353.443 4.630 0 50 FJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 4910481 JGCMVJQKLMIZLQ-MRXNPFEDSA-N 351.446 4.725 0 50 FJAA CC(=O)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 5495617 SUHHNNDIEZEUBH-OAHLLOKOSA-N 371.742 4.602 0 50 FJAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Cl)cc1 12382436 QUSMEDXZBXNMEA-UHFFFAOYSA-N 370.840 4.833 0 50 FJAA CCOC(=O)C1(CC2CC2)CCN(Cc2ccccc2C(F)(F)F)CC1 12592784 PIDQWTZMNFJXAZ-UHFFFAOYSA-N 369.427 4.651 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccc(F)cc1F)C2 14964166 OOGMQBANDVYAGH-UHFFFAOYSA-N 373.424 4.794 0 50 FJAA CC(C)c1cc(-c2nnc(S)n2Cc2ccco2)c(O)c(C(C)C)c1 17073837 GGQJBFSAEFPPBT-UHFFFAOYSA-N 357.479 4.828 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36620817 DAOCGHNGQVNEQO-GOSISDBHSA-N 372.852 4.886 0 50 FJAA O=C(c1ccc2ncsc2c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129468 BUBKYHDAOHSDAM-UHFFFAOYSA-N 367.861 4.630 0 50 FJAA FC(F)(F)c1ccc(Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)cn1 65410750 VWCBJDMPEGHYOE-INIZCTEOSA-N 373.378 4.516 0 50 FJAA Fc1cccc(Cl)c1CN(Cc1cc(-c2cccnc2)no1)C1CC1 240971669 UAUVHHHCHYPLLT-UHFFFAOYSA-N 357.816 4.694 0 50 FJAA CC(C)C[C@@H](C(=O)Nc1ccc(-c2n[nH]c(C(C)C)n2)cc1)n1cccc1 409413049 ANGDZKDTIZXGIV-SFHVURJKSA-N 365.481 4.623 0 50 FJAA COc1ccc(F)c(F)c1C(=O)N1CCCC[C@@H]1CCc1cccs1 952964037 LSIHMXGHGIABCN-CYBMUJFWSA-N 365.445 4.662 0 50 FJAA Cc1cc(C(F)(F)F)cnc1-c1cc(F)ccc1OC[C@H]1CCCO1 1875326112 AMZNJBISVLNUAV-CQSZACIVSA-N 355.331 4.773 0 50 FJAA COC(=O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1 628535 UWYBSELSCUEBLB-UHFFFAOYSA-N 362.410 4.937 0 50 FJAA CC(=O)Nc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 1134445 GBKSIVFOMJPWGK-PXLXIMEGSA-N 356.425 4.824 0 50 FJAA CCc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)O[C@H](C)CC)c3C)C2)cc1 4911372 JRBGPVDIILVQAL-CXAGYDPISA-N 353.462 4.754 0 50 FJAA COc1ccc(-n2c([C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 7275923 QKLMFWKDGOWBSV-HOTGVXAUSA-N 357.866 4.863 0 50 FJAA COCCCC1CCN(Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 12224183 UDMUZXMZSNHBSB-UHFFFAOYSA-N 372.509 4.606 0 50 FJAA OCC1(Cc2ccccc2Cl)CCN(Cc2cc3ccccc3o2)CC1 15067755 KCVPZLHDNFHVDB-UHFFFAOYSA-N 369.892 4.903 0 50 FJAA O=C(NCCC1=CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 20138588 BRSQWAUMOHGRDZ-UHFFFAOYSA-N 374.528 4.865 0 50 FJAA Cc1ccccc1-c1cccc([C@H]2CC(=O)NCc3nc4sccn4c32)c1 65459144 VJERHDKSZJZSGM-GOSISDBHSA-N 373.481 4.523 0 50 FJAA CCN(CCOc1ccccc1Cl)C(=O)c1cc2cccc(C)c2n1C 95512234 RDCYYJLAVJGHTA-UHFFFAOYSA-N 370.880 4.681 0 50 FJAA COC(=O)[C@H]1N=NC(c2ccccc2)(c2ccccc2)[C@H]1[Si](C)(C)C 169828952 IQDSRHZDQLTFDS-ROUUACIJSA-N 352.510 4.646 0 50 FJAA Clc1cccc(-c2cc3c(c(OCc4ccco4)c2)OCCNC3)c1 299769137 NOACXSZYPZZVGD-UHFFFAOYSA-N 355.821 4.661 0 50 FJAA Cc1nn(C(C)C)cc1-c1cccc(C(=O)N[C@H](C)Cc2ccsc2)c1 299779182 QDDIKWSVIHWXBK-OAHLLOKOSA-N 367.518 4.862 0 50 FJAA CCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 641152 NXTRMGWLWDZGFY-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA CCCc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 942408 WCOJTOXOXHDVER-UHFFFAOYSA-N 352.459 4.780 0 50 FJAA COc1ccc(C(=O)CCSc2ccc(Br)cc2)cc1 2531689 IJAYGVVZVDZPDP-UHFFFAOYSA-N 351.265 4.823 0 50 FJAA O=C(C[C@@H](SCc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 4118453 PGWIGYLPUIXBGD-MRXNPFEDSA-N 369.269 4.953 0 50 FJAA CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 4866727 PRIQCEUTHKYHTM-QFIPXVFZSA-N 367.489 4.763 0 50 FJAA COc1ccc(/C=C/CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1 20452810 VIXXASXDSHVVET-OQBYNLHGSA-N 353.510 4.510 0 50 FJAA Cc1c(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cnn1C 20605284 BYBCHVSNZFPRDQ-UHFFFAOYSA-N 358.323 4.618 0 50 FJAA Cc1nc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)co1 71439982 TZFQPTDWSHHMNU-OAHLLOKOSA-N 352.400 4.847 0 50 FJAA O=C(c1ccc(-c2ccncc2)nc1)N1CCC(CCc2ccccc2)CC1 71754351 QCWBOHOEJHCZDA-UHFFFAOYSA-N 371.484 4.629 0 50 FJAA CCOC(=O)c1sc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)nc1C 85999938 NEYJBSLCTLMEBJ-UHFFFAOYSA-N 363.442 4.839 0 50 FJAA COc1ccc([C@H]2C=C(c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1 100814394 CQCMXBAMLQPCPT-QGZVFWFLSA-N 373.243 4.650 0 50 FJAA aggregator CN1CCOc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3Cl)cc21 175077174 PMSMWGPACPHMBY-KRWDZBQOSA-N 371.868 4.538 0 50 FJAA CN(Cc1cnc2ccccc2n1)C(=O)c1cccc(-c2ccc(F)cc2)c1 219920621 NKAUGJQLGBGUSZ-UHFFFAOYSA-N 371.415 4.708 0 50 FJAA O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccccc1 302767638 NTYFMUWSDUWCNZ-UHFFFAOYSA-N 371.415 4.860 0 50 FJAA COc1ccc(-n2cccn2)c(CN2CCCCC[C@@H]2c2ccco2)c1 824628671 XSAZBLDHFMLMDO-HXUWFJFHSA-N 351.450 4.591 0 50 FJAA COc1ccc(-c2noc(N3CCc4cc(Cl)ccc4[C@@H]3C)n2)cc1 1875341328 OYSBUPHKUIDRQU-LBPRGKRZSA-N 355.825 4.522 0 50 FJAA C[C@H]1C[C@@H](NC(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CO1 1875343774 UJQCDIBLMKSYCI-VBKZILBWSA-N 364.316 4.914 0 50 FJAA COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 1210751 BXQHOXAQRKVBLI-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA CCCCOc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2355669 VDUKITXBZLRVQN-UHFFFAOYSA-N 357.479 4.578 0 50 FJAA COc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 2767582 YOIWIDZZEIJYJU-UHFFFAOYSA-N 374.465 4.902 0 50 FJAA CCCCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 2880110 FKOGPDBERPCHAH-UHFFFAOYSA-N 363.841 4.788 0 50 FJAA Cc1ccc(COc2ccc(Cl)cc2CNCc2cccnc2)cc1 4999710 LFCRVAXOUXBXKL-UHFFFAOYSA-N 352.865 4.912 0 50 FJAA CC(C)Oc1ccc(Cc2nnc(S)n2Cc2ccccc2)cc1Cl 5690087 FICOJZFXPZKVKH-UHFFFAOYSA-N 373.909 4.647 0 50 FJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)C1CCOCC1 20137289 PRBYUGGDXNFWQN-UHFFFAOYSA-N 362.473 4.928 0 50 FJAA CC(C)n1cc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)cn1 20780537 QLGVFNSZOZZEAW-UHFFFAOYSA-N 372.472 4.831 0 50 FJAA Cc1ccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)C)c3)nc2c1C 63835270 WYJQMWYFKZMPOM-UHFFFAOYSA-N 364.493 4.776 0 50 FJAA CNc1ccnc(NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)n1 71419071 RFJADUMBUZMBLI-UHFFFAOYSA-N 361.424 4.726 0 50 FJAA CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(C(C)(C)C)ccc2C(=O)O)C1 72233813 IDDNJWPJGGNMBM-CQSZACIVSA-N 361.482 4.797 0 50 FJAA CC(C)c1nc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cs1 82127741 NECPSLMKEAGGQC-MRXNPFEDSA-N 358.507 4.600 0 50 FJAA CCSc1nc2ccc(NC(=O)N3CCC[C@H]3c3cc(C)no3)cc2o1 97642161 KTWGKIFQMOQARE-AWEZNQCLSA-N 372.450 4.605 0 50 FJAA CN(C(=O)C(C)(C)C)c1ccc(OCc2csc([C@H]3CCCO3)n2)cc1 153549331 HUFUNMQGWWZJOW-QGZVFWFLSA-N 374.506 4.583 0 50 FJAA O=C(Nc1cccc2ccccc12)N(CCO)[C@@H]1CCCc2ccccc21 170627110 YDPMJZOPGYMMHZ-JOCHJYFZSA-N 360.457 4.744 0 50 FJAA CCC(CC)n1nccc1NC(=O)c1csc(Cc2ccccc2)n1 1529142929 XKQHHJMSHAPOAG-UHFFFAOYSA-N 354.479 4.544 0 50 FJAA C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccco2)CC1 1875258263 UJIHPSUBDVAJQI-QGZVFWFLSA-N 362.473 4.522 0 50 FJAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1cscc1Cl 1875343320 XEGHVSPPDIHRTE-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA Cc1cnn(-c2ccc([C@H](C)NCc3cccc4cccnc34)cc2F)c1 2325723656 JITKPILDUIKFHS-INIZCTEOSA-N 360.436 4.719 0 50 FJAA Oc1nc(SCc2cccc(CN3CCCCC3)c2)nc2sccc12 2325751931 CUGUWOCBJLZLJH-UHFFFAOYSA-N 371.531 4.675 0 50 FJAA CCOc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 720277 LUIDTKBNCJIMKQ-UHFFFAOYSA-N 367.367 4.684 0 50 FJAA Cc1cccc(NC(=O)c2cc(I)ccc2Cl)c1 993863 QRKIAXCMDBHKGR-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 1147850 DQQXTLBNBCHUCD-UHFFFAOYSA-N 352.478 4.622 0 50 FJAA COc1ccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1778321 BJCYIQNGEUYAOY-UHFFFAOYSA-N 353.340 4.512 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1OC 2821716 BOQMXVPOYNBLDD-UHFFFAOYSA-N 366.417 4.822 0 50 FJAA COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 13511293 SFXYYHFNZKZXMO-NFBKMPQASA-N 356.425 4.938 0 50 FJAA CC(=O)Nc1ccccc1OCc1nc(-c2c(F)cccc2F)cs1 127954007 ZLEWVSDNHZLUGW-UHFFFAOYSA-N 360.385 4.626 0 50 FJAA C[C@@H]1CCN(C(=O)c2ccccc2COC2CCOCC2)c2ccccc21 131921574 SDFWOIKWHKYQHM-QGZVFWFLSA-N 365.473 4.536 0 50 FJAA Fc1cccc(N2CCCC2)c1NCc1nnc(-c2cccc(Cl)c2)o1 133854361 LVRRBEHOBAWZEG-UHFFFAOYSA-N 372.831 4.741 0 50 FJAA CC[C@@H](C)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)ns2)on1 155321277 RYQJJYFWMZPQCY-SECBINFHSA-N 362.842 4.612 0 50 FJAA CCn1cc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1 170613192 KVGBEWITHNOUEM-UHFFFAOYSA-N 353.369 4.624 0 50 FJAA O=C(NC[C@@H]1OCCc2ccccc21)c1sccc1-c1ccc(F)cc1 733117045 KUVBLPNGRACFKM-IBGZPJMESA-N 367.445 4.598 0 50 FJAA Cc1oc2ccc(OCC(=O)c3ccc(F)cc3)cc2c1C(=O)OC(C)C 623930 SQLXKACMRLRGMQ-UHFFFAOYSA-N 370.376 4.707 0 50 FJAA Cc1cc(C)c(C)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1C 707194 YGGABRSKNHRPJG-UHFFFAOYSA-N 362.425 4.819 0 50 FJAA CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 839050 CGWPYJAEQQNNBT-UHFFFAOYSA-N 362.267 4.764 0 50 FJAA Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)cc1Cl 1068900 WRXADEAXVDNZJT-UHFFFAOYSA-N 363.788 4.776 0 50 FJAA Cc1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)c1C 1114531 KBMLKSSTCYAMPE-VAWYXSNFSA-N 360.413 4.801 0 50 FJAA CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 1116205 NYAJFELTMVMLPV-ZDUSSCGKSA-N 362.267 4.979 0 50 FJAA Cc1cccc(Cc2cnc(NC(=O)c3ccc(OC(F)F)cc3)s2)c1 1171013 VBYZWJJPONZCCJ-UHFFFAOYSA-N 374.412 4.896 0 50 FJAA C[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)C1 1459714 DHUGRKCPSMOIMO-AWEZNQCLSA-N 365.864 4.822 0 50 FJAA COc1ccc(-c2nn(-c3ccccc3)c3c2C(=O)c2ccccc2-3)cc1 2550002 ZHVVGBUHYNRAFJ-UHFFFAOYSA-N 352.393 4.759 0 50 FJAA CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 2962864 YSJQDKSTZLBDLU-CQSZACIVSA-N 370.880 4.629 0 50 FJAA Cc1ccc([C@@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c(O)c1 4169938 MPLPNTXKJTUBEE-CVDCTZTESA-N 373.496 4.970 0 50 FJAA CC(=O)c1cccc(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1 6232751 WJFQIIHFHAAUGN-UHFFFAOYSA-N 354.793 4.758 0 50 FJAA CCc1cc(Br)ccc1NC(=S)NCCc1ccccc1 6940930 ZLOALUTYQRNDPV-UHFFFAOYSA-N 363.324 4.541 0 50 FJAA FC(F)Oc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 12436429 GIUKQCJYGIWLDY-UHFFFAOYSA-N 355.408 4.760 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cc2ccccc2[nH]1 12578696 WPLDTUOIIKEORV-HXUWFJFHSA-N 360.436 4.660 0 50 FJAA CCN(C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2cc(C)ccc12)C(C)C 63855362 CDQRSXZVZQPRGQ-UHFFFAOYSA-N 374.488 4.748 0 50 FJAA FC(F)Oc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100708292 UVNTXWJNRQZKFE-MRXNPFEDSA-N 374.778 4.589 0 50 FJAA Cc1noc(-c2ccccc2)c1NC(=O)N1CCc2c(Cl)cccc2C1 126625515 QQHZEEVECSSVTE-UHFFFAOYSA-N 367.836 4.894 0 50 FJAA C1=C[C@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 169818885 HOVHKZIQYZHDRL-MHZLTWQESA-N 374.559 4.507 0 50 FJAA COc1ccc(N[C@H](C)c2c(F)cccc2F)cc1N1CCCCC1=O 170626187 UDOFWWAGIRIVKE-CYBMUJFWSA-N 360.404 4.663 0 50 FJAA O[C@@H](CNCc1cccc(-c2ccncc2)c1)c1ccc2ccccc2c1 238071880 KBNFVVJLVHOSEA-DEOSSOPVSA-N 354.453 4.725 0 50 FJAA COc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)cc(OC)c1OC 426487342 KEHMMGIQICOKKK-MRXNPFEDSA-N 355.478 4.926 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C2 1704329692 AYFZMNIXQKLIBX-NVXWUHKLSA-N 374.378 4.658 0 50 FJAA CC[C@@H](CC(=O)N1CCC(c2ccccc2)(C(F)(F)F)CC1)C(F)F 2325791912 IFCSHVVSYPGCKB-ZDUSSCGKSA-N 363.370 4.791 0 50 FJAA CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2c1ccc1ccccc12 638943 KDRNQNOHGIHSPJ-UHFFFAOYSA-N 373.408 4.509 0 50 FJAA Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccnc3)c2C)cc1 673138 RXNKPZSRQHDHQD-UHFFFAOYSA-N 367.452 4.844 0 50 FJAA CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 1178337 HPNCWEMUNCEXCZ-UHFFFAOYSA-N 356.805 4.579 0 50 FJAA biogenic O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1205718 BJCXIOMWVOGPRN-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1ccc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)oc2c1 1211669 HATHKSJQKYPFAW-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 1216755 RHLAOVPNOGWMLY-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA CN(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1Cl 2496972 YOBFKLWYVRZVGI-UHFFFAOYSA-N 352.261 4.811 0 50 FJAA CC(C)c1ccc(OCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 2752809 BQMIPSSUVLIGQS-QZTJIDSGSA-N 367.489 4.638 0 50 FJAA Cc1nnc(SCc2cccc(CSc3nnc(C)s3)c2)s1 2812117 LNSQULCBESGQSB-UHFFFAOYSA-N 366.562 4.591 0 50 FJAA C[C@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C[C@@H](C)O1 12635721 IPLAPXVSBNNRIV-OKILXGFUSA-N 353.853 4.564 0 50 FJAA CCCCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 12655694 IQVHFBDCCUATES-UHFFFAOYSA-N 363.255 4.584 0 50 FJAA Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3Cl)[nH]c2c1 12971092 XTHKMKSLLDQIDN-UHFFFAOYSA-N 366.273 4.909 0 50 FJAA C[C@@H]1[C@@H]2CCCN2CCN1Cc1cccc(Oc2ccc(Cl)cc2)c1 19771291 LANXFHNBSBOPCN-IERDGZPVSA-N 356.897 4.801 0 50 FJAA CCOc1cc(-c2c(-c3ccccc3)ncn2C2CCOCC2)ccc1O 65383900 WYJNBKFWCZPIEK-UHFFFAOYSA-N 364.445 4.673 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)c2c(C)noc2n1 91829769 FVZOGQHBPIGUNV-HNNXBMFYSA-N 369.490 4.529 0 50 FJAA O=C(Nc1cccc2cccnc12)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 170637951 YYFSKUFWTXDIAS-HUUCEWRRSA-N 372.346 4.876 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(c2ccsc2)CC1 187370914 FTEBXVGJOLIQLB-UHFFFAOYSA-N 357.523 4.842 0 50 FJAA Cc1cc(C(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c(C)o1 221374258 XEUPYMMGGWALAR-QFIPXVFZSA-N 355.478 4.543 0 50 FJAA CC(C)Sc1cccc(Cl)c1CNc1nnc(-c2ccncc2)o1 225516284 PIGOASSJTZGLLA-UHFFFAOYSA-N 360.870 4.898 0 50 FJAA CCCN1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 299764190 QKLHGYWPEIAMAT-HXUWFJFHSA-N 358.489 4.795 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1 299768507 VOOJQIUSRUUPLY-HXUWFJFHSA-N 356.441 4.916 0 50 FJAA CC[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CCO1 1463194030 MBAFNKAKKDMJSM-IKLNAOFOSA-N 365.473 4.573 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3cc(O)cc(F)c3)C2)cc1 2325860370 FROIPRWTMIFMKX-QGZVFWFLSA-N 365.452 4.609 0 50 FJAA COc1cccc(NC(=O)Oc2cc(C)c(C)cc2Br)c1 640853 RTJNFJXFHSNVIP-UHFFFAOYSA-N 350.212 4.685 0 50 FJAA O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 753297 RQMJVZBCSYJOCR-UHFFFAOYSA-N 354.617 4.587 0 50 FJAA CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1OC(C)=O 1165567 FUOYYMNEJJGFGZ-UHFFFAOYSA-N 356.349 4.521 0 50 FJAA Cc1cc(C2(c3cc(C)c(O)cc3C)OC(=O)c3ccccc32)c(C)cc1O 4521928 PXCIPOXPHMTCIL-UHFFFAOYSA-N 374.436 4.794 0 50 FJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccco2)cc1 12718850 VDHGQTFGMGQSLR-SFHVURJKSA-N 363.461 4.570 0 50 FJAA CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(C(C)=O)C2 15070667 RKEXGDQAJODSKX-UHFFFAOYSA-N 367.470 4.708 0 50 FJAA COc1ccc(-c2cccc(N3CCC(NCc4ccncc4)CC3)c2)cc1 20785698 APJPUDKTMFQCOH-UHFFFAOYSA-N 373.500 4.516 0 50 FJAA CO[C@@H](C)c1nc(CC(=O)N2CCCc3cc(C(C)(C)C)ccc32)cs1 128719363 PFWHROUXMZCDGG-AWEZNQCLSA-N 372.534 4.670 0 50 FJAA O=C(CCC1CCNCC1)Nc1ccccc1OCc1cccc(Cl)c1 237857778 JUGSPXKZYGTEAB-UHFFFAOYSA-N 372.896 4.637 0 50 FJAA COc1ccc(-c2ccccc2NC(=O)N(C)CCC[C@H]2CCCO2)cc1 299766365 CWAALTZJQCPGSE-IBGZPJMESA-N 368.477 4.785 0 50 FJAA Cc1ccc(F)c(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)c1F 1529160008 VUGHSDPWCCXSOM-MSOLQXFVSA-N 359.416 4.512 0 50 FJAA CCCC[C@@H]1CN(C(=O)Nc2ccc(OC)c(Cl)c2)C[C@H](C2CC2)O1 1857720388 RJHIKPFLUBAOFD-CRAIPNDOSA-N 366.889 4.550 0 50 FJAA Cc1ccc2nc(-c3ccc(Br)cc3)c(C)c(C(=O)O)c2c1 650534 YCUBCPRUDFWOIX-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA COc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1 709084 ZLZINNAFJYKUEH-UHFFFAOYSA-N 368.436 4.840 0 50 FJAA biogenic CCOC(=O)c1c(C)n(CCOc2ccccc2Cl)c2ccc(O)cc12 1083218 WBIPQNHZBSDIPU-UHFFFAOYSA-N 373.836 4.564 0 50 FJAA biogenic,in-vitro COC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccc(F)cc1 2763425 UYAUMUNDZSFRKM-UHFFFAOYSA-N 369.417 4.522 0 50 FJAA COC(=O)c1cc(C)sc1NC(=S)Nc1cccc2ccccc12 2851888 WUQXHRLLLARKIY-UHFFFAOYSA-N 356.472 4.805 0 50 FJAA COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1 4632351 VMZUVXXVLYKXDZ-UHFFFAOYSA-N 355.401 4.630 0 50 FJAA COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4754810 PNPDEOWPLFQCLI-UHFFFAOYSA-N 357.413 4.799 0 50 FJAA CC(=O)Nc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1 5452095 OPNGFPOMINEKSA-UHFFFAOYSA-N 371.444 4.715 0 50 FJAA COc1ccc(-n2ccc(-c3sc(NCc4ccoc4)nc3C)n2)cc1 12328764 SSDLMTCVAQYQDD-UHFFFAOYSA-N 366.446 4.518 0 50 FJAA C[C@@H]1[C@H]2CCCN2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 22078186 QZDKTMYGVONXAB-OXQOHEQNSA-N 358.570 4.656 0 50 FJAA CCn1c2ccccc2c2cc(CN(C)C[C@H](O)c3ccccc3)ccc21 23280024 XETHWDUYPHMOTF-DEOSSOPVSA-N 358.485 4.980 0 50 FJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cncn2CC(C)C)C1 67821504 LNGPNJMHEPYWAA-QGZVFWFLSA-N 373.928 4.596 0 50 FJAA CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c1 72431189 NCMJPCRDSQWLDR-OAQYLSRUSA-N 369.480 4.897 0 50 FJAA CCOP(=O)(CCCCCCCCCCP(=O)(O)O)OCC 96503533 QSNWJNNXAGWSQW-UHFFFAOYSA-N 358.352 4.551 0 50 FJAA in-vitro COc1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)c(C(F)(F)F)n1 170600021 WFBYBJCBFGFFHF-AWEZNQCLSA-N 371.403 4.686 0 50 FJAA CC(C)Sc1cccc(Cl)c1/C=C/c1nc2cnccc2c(=O)[nH]1 170612971 QKLCSQVDHFTNAC-VOTSOKGWSA-N 357.866 4.642 0 50 FJAA CC(=O)Nc1ccc(NC(=O)CCc2ccc(OC(C)C)cc2)c(Cl)c1 170620711 XBZIMVGZVPHBBV-UHFFFAOYSA-N 374.868 4.657 0 50 FJAA OC[C@@H]1CN(Cc2cc(-c3ccccc3)cs2)C[C@H]1c1ccsc1 190289898 NQIDTLPILNGEIT-ICSRJNTNSA-N 355.528 4.685 0 50 FJAA O=C(c1nc2ccccc2s1)N1CCC[C@H](c2cc(F)ccc2F)C1 191535481 YBLYRLCFUMLFGW-LBPRGKRZSA-N 358.413 4.594 0 50 FJAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 239310095 IBBHEQXRACLNGJ-QOYAAKSSSA-N 364.316 6.261 0 50 FJAA O=C(NCc1cccc(Cl)c1Cl)N1CCCC[C@@H]1c1nccs1 531107762 WHMIYRYFPXMAHC-CYBMUJFWSA-N 370.305 4.887 0 50 FJAA CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2cccc3cccnc23)cc1 584901158 HVCVNTYUFRIGJP-NRFANRHFSA-N 374.484 4.789 0 50 FJAA Cc1ccc2ncccc2c1CN1CCC([C@@H](O)c2cccs2)CC1 952991116 YGWVRTCUEKAEJF-OAQYLSRUSA-N 352.503 4.550 0 50 FJAA CCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 724329 HDLOLAGMPLBFNI-UHFFFAOYSA-N 355.488 4.576 0 50 FJAA O[C@@H](CN1CCCc2ccccc21)Cn1c2ccccc2c2ccccc21 786501 YRQJNCXNGXQKDY-IBGZPJMESA-N 356.469 4.608 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc2c1CCCC2 1109620 MWUIKXQGBFHKDE-UHFFFAOYSA-N 357.475 4.673 0 50 FJAA Cc1cc(Cl)ccc1NC(=O)c1cccc(I)c1 1198381 RFSLECDNJRLMDL-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 2229554 BNTMDCKAZBNTDV-UHFFFAOYSA-N 354.435 4.556 0 50 FJAA O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(F)cc1 2814737 ZZZBEWJCIDMDMP-UHFFFAOYSA-N 358.265 4.796 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2ccc(Cl)cc2)c(OC)c1 2983910 IVZQHMGYEVNHFR-ONEGZZNKSA-N 362.853 4.856 0 50 FJAA O=C(Nc1ccc(Br)cn1)c1ccccc1-c1ccccc1 4819273 LUNBNQOAEAHWEZ-UHFFFAOYSA-N 353.219 4.763 0 50 FJAA Oc1cccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(O)c2)c1 14966883 GNFRSPMMTJYQRE-DEOSSOPVSA-N 370.452 4.727 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3ccc(F)cc3)s2)cc1C 16945061 FWEXGZVSCOVRJC-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA COc1ccc(C(=O)N2CC3(CCCC3)c3ccccc3[C@H]2C)cc1OC 22135275 XAKPNMNGQPAGRB-MRXNPFEDSA-N 365.473 4.733 0 50 FJAA CCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 85577596 CQBYREFQWDUSJY-UHFFFAOYSA-N 350.428 4.804 0 50 FJAA C[C@H](CN(C)CCc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 100817612 IRQLUPGLMPPWEH-ATIYNZHBSA-N 373.540 4.928 0 50 FJAA FC(F)(F)c1cccc([C@@H](NCc2nnc(-c3ccco3)o2)C2CC2)c1 180055098 LMLWEBILSOSPKW-INIZCTEOSA-N 363.339 4.589 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccc(F)c(F)c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245256532 QOSKTUBJFPMFKX-ZZFAQSIGSA-N 355.384 4.960 0 50 FJAA O[C@H](CNCc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 328589200 SATLQEARZZBWCI-OAQYLSRUSA-N 367.876 4.742 0 50 FJAA CCn1c(S[C@H](c2nc(C)cs2)C(F)(F)F)nnc1-c1ccco1 328593173 PFBZFSIAPLZIEO-SNVBAGLBSA-N 374.413 4.719 0 50 FJAA CCNC(=O)Cc1ccc(N[C@@H]2CCCOc3c(C)cc(Cl)cc32)cc1 2325726203 UWMQZOAYIKBDJQ-LJQANCHMSA-N 372.896 4.653 0 50 FJAA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)OCc1ccccc1F 2325729470 SGQVOBWMKKYSHO-CSKARUKUSA-N 367.351 4.909 0 50 FJAA Nc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CCCCC3 709443 UPDNBGNZTUUKMO-UHFFFAOYSA-N 369.515 4.517 0 50 FJAA S=c1n(CN2CCCCC2)nc(Nc2ccccc2)n1-c1ccccc1 957887 ZBNNZBATXAEEBB-UHFFFAOYSA-N 365.506 4.590 0 50 FJAA CCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1 1110592 LXWQVLBEFMFFOM-UHFFFAOYSA-N 350.281 4.594 0 50 FJAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C(Cl)(Cl)Cl 1176679 SYVQXUISHCHBSC-UHFFFAOYSA-N 356.080 4.639 0 50 FJAA Cc1cc(I)ccc1NC(=O)c1ccccc1Cl 1230200 YDUSKXATIGEZRJ-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA CCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1 1779221 CZXQHQQWWIWZBN-MDWZMJQESA-N 355.434 4.535 0 50 FJAA CCCCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 1801427 SPUZCTVFXPESII-VAWYXSNFSA-N 357.837 4.949 0 50 FJAA Cc1nc(SCCOc2ccccc2)sc1C(=O)Nc1ccccc1 2238873 BLXVCZAWJMTNBU-UHFFFAOYSA-N 370.499 4.875 0 50 FJAA C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 2336712 CCNBLJZFDSHANX-LLVKDONJSA-N 358.854 4.987 0 50 FJAA Cc1cccc(-c2cn[nH]c2C2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 11911992 QIAFTRDBLUIJCZ-UHFFFAOYSA-N 373.500 4.700 0 50 FJAA O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1=CCCC1 12333868 XNQDOVIIRZBMND-MRXNPFEDSA-N 359.878 4.599 0 50 FJAA COCC[C@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C 12761408 BEKYWIQELIMHPI-GOSISDBHSA-N 372.509 4.666 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3cc(C)ccc3C)n2)cc1 13330802 VZVDMUOEQNFIOF-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA Cc1cccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)n1 19325095 YQHOZXBESYOBGF-UHFFFAOYSA-N 357.501 4.797 0 50 FJAA COc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 20451537 QKDCDAOKDPEGCJ-HXUWFJFHSA-N 361.489 4.773 0 50 FJAA O=C(Nc1ccc2c(c1)CN(C1CCC1)CC2)c1ccc(C(F)(F)F)cc1 20600978 ILLAAFDESCBNSA-UHFFFAOYSA-N 374.406 4.868 0 50 FJAA O=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292121 AJEPZXCCVYADPL-UHFFFAOYSA-N 358.775 4.860 0 50 FJAA CCn1cncc1-c1c(-c2ccccc2)ncn1Cc1cc2ccccc2[nH]1 67841799 SHBAZWZWTOZRKX-UHFFFAOYSA-N 367.456 4.963 0 50 FJAA Cc1cc([C@@H]2CCCN(C(=O)c3cccc(N[C@H](C)C(C)C)c3C)C2)[nH]n1 225430582 OCOINZAAQCFAOV-QZTJIDSGSA-N 368.525 4.503 0 50 FJAA CCN(Cc1ccc(C)o1)C(=O)c1cccc(-c2cn(C(F)F)nc2C)c1 299761401 LCTHNENZCBAJGW-UHFFFAOYSA-N 373.403 4.817 0 50 FJAA CCOC[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 299803040 UZJOJIGFUSRULM-QGZVFWFLSA-N 370.449 4.520 0 50 FJAA C[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(Cl)c2ccccc12 408284980 BWPGEMKWIGHIGT-VLIAUNLRSA-N 360.885 4.501 0 50 FJAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1C[C@H]2CCCCC[C@H]21 2325747192 IYLMZDAXBGVLJO-VGOFRKELSA-N 357.457 4.702 0 50 FJAA O=S(=O)(Nc1ccccc1-c1ccccc1)c1cccc(Cl)c1O 2325817121 NMXKURKPUJUPQD-UHFFFAOYSA-N 359.834 4.513 0 50 FJAA C[C@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1 852644 KNWDGZUFTMYBGN-KSFYIVLOSA-N 374.484 4.706 0 50 FJAA O=C1C[C@H](c2cc(Br)ccc2F)c2cc3c(cc2N1)CCC3 1111182 BPYZYGMZONKYEK-CYBMUJFWSA-N 360.226 4.551 0 50 FJAA CC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1 1126836 NVZWEIXJEQQBHI-UHFFFAOYSA-N 365.454 4.665 0 50 FJAA O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1 2756092 PZQCDTFVPWETSB-QHCPKHFHSA-N 352.437 4.956 0 50 FJAA Cc1nn2c(-n3ccnc3)cc(-c3ccccc3)nc2c1-c1ccccc1 5207976 USDCYHJDUSGOGL-UHFFFAOYSA-N 351.413 4.557 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3cccs3)c2c1 6401259 QOUBUWGYRGEBCA-UHFFFAOYSA-N 359.454 4.597 0 50 FJAA COC(=O)c1ccc(-c2nc(CN(C)[C@H](C)c3cccs3)c(C)o2)cc1 12714676 QGZCDPZMLXCUMH-CYBMUJFWSA-N 370.474 4.691 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)CCc2c(C)noc2C)cc1 18238951 HSAQJPCKEUMRKW-UHFFFAOYSA-N 366.417 4.664 0 50 FJAA CCN1C[C@H](n2cnc(-c3ccccc3)c2-c2ccc3occc3c2)CC1=O 65404887 VQOVQFSQNKTRBX-LJQANCHMSA-N 371.440 4.757 0 50 FJAA Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CCCn1ccnc1 65496766 VUXIAWTVDRTSJF-UHFFFAOYSA-N 360.436 4.951 0 50 FJAA Cc1nc2ccccc2c(C)c1C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 253418604 USXRQEDNOYQDQR-MRXNPFEDSA-N 370.456 4.528 0 50 FJAA Cc1cc(C)nc(CN(C)C(=O)c2cccc(-c3cc(C)cc(C)n3)c2)c1 299763352 USLFVIJSGVHPMX-UHFFFAOYSA-N 359.473 4.649 0 50 FJAA Cc1cnccc1-c1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)s1 1875261347 IXHXEFICBBUJGY-UHFFFAOYSA-N 374.469 4.865 0 50 FJAA CC(C)(CC(=O)N1CCC(c2ccccc2)(C(F)(F)F)CC1)C(F)F 2325792914 VEUNCACCKALUQP-UHFFFAOYSA-N 363.370 4.791 0 50 FJAA Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)O 639346 NXYCLZDDICDAQU-UHFFFAOYSA-N 361.191 4.781 0 50 FJAA biogenic COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 991736 VTEGVBWCDVPAHR-UHFFFAOYSA-N 369.424 4.800 0 50 FJAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 1109934 MVQRDFLJDMRBFG-UHFFFAOYSA-N 369.273 4.979 0 50 FJAA Cc1cccnc1NC(=S)Nc1ccc(Br)cc1Cl 2858027 KEAKWJXFKMKZFP-UHFFFAOYSA-N 356.676 4.615 0 50 FJAA O=C(Nc1ccccc1)OCCOc1ccc(Cl)cc1Br 2893388 NEKOHDKYKHVEBK-UHFFFAOYSA-N 370.630 4.730 0 50 FJAA O=C(COC(=O)c1cc2ccccc2s1)Nc1cccc2ccccc12 2964936 FCPVPYHDQQYUES-UHFFFAOYSA-N 361.422 4.850 0 50 FJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 4196679 LGNHMCIOQVDUED-UHFFFAOYSA-N 372.380 4.784 0 50 FJAA aggregator COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Br)c1O 4755414 CUMNZIKJHKZJPM-FNORWQNLSA-N 372.218 4.588 0 50 FJAA Cc1cccc(-c2nc(CSCC(=O)NCc3cccs3)c(C)o2)c1 5057660 HNXZRIXMVZXYQR-UHFFFAOYSA-N 372.515 4.570 0 50 FJAA CC(C)(C)OC(=O)c1ccc(Br)c(OCc2ccccc2)c1 12471692 YLDFIOUCSZWEGJ-UHFFFAOYSA-N 363.251 4.983 0 50 FJAA Clc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12 13723463 MBVMDCBWNMDDID-UHFFFAOYSA-N 351.822 4.655 0 50 FJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCCC[C@@H]1CO 15072488 PNJICVHJGOOWOE-OAQYLSRUSA-N 362.473 4.664 0 50 FJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 15836597 QZPHBPYAEXUPON-PFONDFGASA-N 357.457 4.565 0 50 FJAA CCOc1ccccc1CN(Cc1c(C)nn(C(C)(C)C)c1C)C1CC1 55283383 NJOSMKWGIFXKGZ-UHFFFAOYSA-N 355.526 4.818 0 50 FJAA c1coc(-c2cc(Cn3ccnc3-c3ccc([C@H]4CCCCO4)o3)no2)c1 77342448 LCAHBUNAVZUKOS-OAHLLOKOSA-N 365.389 4.681 0 50 FJAA O=C(Nc1cccc2cccnc12)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 170637947 YYFSKUFWTXDIAS-CABCVRRESA-N 372.346 4.876 0 50 FJAA Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccccc1Cn1ccnc1 268780528 TYXBNRWCLGRLAY-OAHLLOKOSA-N 368.550 4.845 0 50 FJAA CCC[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3cccnc3)cc2)cc1 426443417 RCUIWYZMVMGATJ-HSZRJFAPSA-N 374.484 4.854 0 50 FJAA COc1ccc(-c2cccc(F)c2NCCCn2cnc(C)c2)cc1OC 1384259972 QBJVKQMFLLMSJR-UHFFFAOYSA-N 369.440 4.517 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 1218588 TVUGJPFFPNPZEE-UHFFFAOYSA-N 359.731 4.565 0 50 FJAA COc1ccc(NC(=O)Cc2cc3ccccc3n2Cc2ccccc2)cc1 1445577 GMSNDLFXEPDAPK-UHFFFAOYSA-N 370.452 4.879 0 50 FJAA C[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 2336710 CCNBLJZFDSHANX-NSHDSACASA-N 358.854 4.987 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncccc1Cl 2745314 YLXZMZPTSFVRHA-UHFFFAOYSA-N 359.640 4.840 0 50 FJAA CCCCCc1nnc(NC(=O)c2ccc(NC(=O)CCCC)cc2)s1 2864872 HEMMKDVLAHTLQK-UHFFFAOYSA-N 374.510 4.652 0 50 FJAA COc1ccccc1CNC(=O)c1ccc(CSc2ccccc2)cc1 4702042 AOWGTMKQGVLQAK-UHFFFAOYSA-N 363.482 4.918 0 50 FJAA Cc1cccc(NC(=O)COc2ccccc2CN[C@@H](C)c2ccccc2)c1 4853809 CAQVTWMVWQNIIU-IBGZPJMESA-N 374.484 4.863 0 50 FJAA CC(C)[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 4853990 WBRDMBKUNJDWNH-PKOBYXMFSA-N 371.278 4.975 0 50 FJAA Brc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCCS3)cc1 12582644 POFIQFNBZDFTRL-UHFFFAOYSA-N 372.311 4.690 0 50 FJAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccc(F)cc3)c2C)cc1 13331373 HRCCPGBJHFZBAQ-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA COc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1OC 15867005 BFEWUKDOPWAYMJ-OAHLLOKOSA-N 360.479 4.915 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccc(C)c3)no2)cc1 36620714 MGMLHRNHVWXKME-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1 40407443 MHSLDASSAFCCDO-UHFFFAOYSA-N 365.437 4.549 0 50 FJAA in-vitro Cc1nc(-c2ccsc2)sc1C(=O)N(CC1CC1)c1cccnc1 135541092 XRCAPJYUFMTIBP-UHFFFAOYSA-N 355.488 4.632 0 50 FJAA Cn1ccnc1C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 170593517 HFKFZNGILSQMNK-CYBMUJFWSA-N 371.834 4.547 0 50 FJAA COc1ccc(-n2cccn2)c(CN2CCCCC[C@H]2c2ccco2)c1 824628667 XSAZBLDHFMLMDO-FQEVSTJZSA-N 351.450 4.591 0 50 FJAA COC1[C@H]2CC3C[C@H]1CC(C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1)(C3)C2 1875391895 JPXQBAKVDDNQGV-RRQSVMADSA-N 367.533 4.828 0 50 FJAA CCOC(=O)c1cnc2c(OC)cccc2c1N[C@H](C)c1ccccc1 953672 XGDWFWAYKFMITO-CQSZACIVSA-N 350.418 4.593 0 50 FJAA COc1cc(C=O)cc(Br)c1OCc1ccc(Cl)cc1 1206795 WCVUXKYBJDVHLG-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA O=C(COc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 1212348 JAYPYTKWFLNIMR-UHFFFAOYSA-N 360.438 4.981 0 50 FJAA C[C@@H]1[C@@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1 2004086 XGWIJUOSCAQSSV-ABAIWWIYSA-N 352.887 4.981 0 50 FJAA biogenic Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1ccc(F)cc1)C3 2440866 CBKQMJNERWYSPI-QGZVFWFLSA-N 371.415 4.757 0 50 FJAA COc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2738389 YYNIGRLJDPPWCX-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA CC(=O)Nc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 2873100 HXPVRJJTLUXDIW-UHFFFAOYSA-N 350.443 4.529 0 50 FJAA COc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccco1 6677894 KLLACLMIEJWCGG-UHFFFAOYSA-N 370.449 4.840 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCCC[C@@H]3C)c12 13641996 GQSFFHHQOKRSHW-FZMZJTMJSA-N 355.463 4.568 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c12 13642002 GQSFFHHQOKRSHW-SMDDNHRTSA-N 355.463 4.568 0 50 FJAA COc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1ccc(C)cc1 17076113 KYZFXCYSPAFSSA-YVLHZVERSA-N 371.483 4.912 0 50 FJAA CCCN(CCO)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC 22077747 ODTQFXWYQKRFDZ-UHFFFAOYSA-N 353.462 4.621 0 50 FJAA Fc1ccc(N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 55543878 APMXHOBRIVQAJR-UHFFFAOYSA-N 362.448 4.940 0 50 FJAA O=C(Nc1ccccc1)O[C@H]1c2ccccc2OC(=O)N1c1ccccc1 71770234 FTUDVOUBPIMDNL-IBGZPJMESA-N 360.369 4.953 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)Cc3csc(C(C)C)n3)c2c1 91645594 XMADJKPJHKFWBF-UHFFFAOYSA-N 369.534 4.874 0 50 FJAA COc1cnc(CN(CCC2=CCCCC2)Cc2ccc(F)cc2)cc1O 244787977 QHFVEEQMFPCLQR-UHFFFAOYSA-N 370.468 4.828 0 50 FJAA CC(C)C[C@H](C(=O)Nc1ccc(-c2n[nH]c(C(C)C)n2)cc1)n1cccc1 409413048 ANGDZKDTIZXGIV-GOSISDBHSA-N 365.481 4.623 0 50 FJAA COc1cc(-c2ccc([C@H](C)N3CCCCC3)cc2)cc(OC)c1OC 426487340 KEHMMGIQICOKKK-INIZCTEOSA-N 355.478 4.926 0 50 FJAA COc1cc(N[C@H](C)c2nccc3ccccc23)ccc1N1CCCC1=O 810233299 JJWFYRLIDSTYOB-OAHLLOKOSA-N 361.445 4.543 0 50 FJAA CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl 644570 PSAOODWEVDPDGD-UHFFFAOYSA-N 350.311 4.645 0 50 FJAA COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1OC 706775 FCCNJBYIWZWLOB-UHFFFAOYSA-N 366.291 4.621 0 50 FJAA biogenic CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4sccn34)cs2)cc1 753722 KIPHHSGBZBKVQP-UHFFFAOYSA-N 369.475 4.530 0 50 FJAA CCOc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 845790 KJGJDVCOQYOORZ-QFIPXVFZSA-N 358.441 4.565 0 50 FJAA C[C@@H]1Cc2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)ccc2O1 969971 XKCWWHDHXAGVGB-IVZQSRNASA-N 356.425 4.781 0 50 FJAA O=C(NC[C@H]1CCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 995015 JWMSDPFSZHAAIS-GFCCVEGCSA-N 372.877 4.526 0 50 FJAA COc1cccc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 1130521 HOUSSXVURHJNPR-UHFFFAOYSA-N 364.470 4.974 0 50 FJAA CC(C)Sc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 1205505 SSTGDSIKPGHCQM-UHFFFAOYSA-N 354.456 4.597 0 50 FJAA C[C@H](O)CNCc1c(OCc2ccccc2Cl)ccc2ccccc12 8497862 MTQLEULVYDSOEA-HNNXBMFYSA-N 355.865 4.543 0 50 FJAA C=Cc1cccc(CN2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)c1 67955522 XCUMIZSHZDKXEU-UHFFFAOYSA-N 358.485 4.670 0 50 FJAA O=C(O)C1(CCc2ccccc2)CCN(c2ccc3ccccc3n2)CC1 71757175 WGVIZPGBWQUASN-UHFFFAOYSA-N 360.457 4.539 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(/C=C/c2ccccn2)c1 96148988 WZWBQRWHUWDBBZ-JNCYCUAHSA-N 365.477 4.675 0 50 FJAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4Cl)cc3)C(=O)[C@@H]12 136149767 DQBMCXZHIPBGIK-NRXGSXMXSA-N 367.832 4.834 0 50 FJAA CCCCCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 245238539 SZUIVDDTEKRZIU-FXELSEDVSA-N 366.457 4.618 0 50 FJAA COCCc1nsc(NCc2ccc(-c3ccc(Cl)cc3)cc2)n1 252485958 HFZVRNAWHTUBFU-UHFFFAOYSA-N 359.882 4.660 0 50 FJAA COc1ccc2cc(CN[C@H](CC(C)(C)C)c3cccnc3)c(O)nc2c1 952966659 VXCXKRAJCCYXBU-HXUWFJFHSA-N 365.477 4.611 0 50 FJAA CCOc1cc(C)c(CN2CCC(c3ccnc(O)c3)CC2)cc1C(C)C 1772807711 SODDRIYGWKRWRL-UHFFFAOYSA-N 368.521 4.997 0 50 FJAA O=c1[nH]c(=S)ccn1-c1nc(-c2ccccc2)sc1-c1ccccc1 752062 YZIAGNXKPFZJIA-UHFFFAOYSA-N 363.467 4.686 0 50 FJAA O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc(Cl)cc1 954353 OKGKVOWKEWOBAI-UHFFFAOYSA-N 352.846 4.827 0 50 FJAA Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cccc(F)c2)c1 1074650 VDUQQNMIEVOPGY-UHFFFAOYSA-N 363.388 4.743 0 50 FJAA Cc1ccc2oc(-c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)nc2c1 2875403 KOLORROHOPIHGG-UHFFFAOYSA-N 368.392 4.599 0 50 FJAA CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OCC)cc2)o1 4712512 RULYXMFBONQHIG-UHFFFAOYSA-N 373.497 4.622 0 50 FJAA CC(=O)Nc1cccc(NC(=O)c2csc(C)c2-c2ccccc2)c1 4749802 CJKADWOYVCXUBD-UHFFFAOYSA-N 350.443 4.934 0 50 FJAA COc1ccc(OC)c2c(C)cc(NCCc3ccc(Cl)cc3)nc12 23634451 DKDWYWPUXQPSKI-UHFFFAOYSA-N 356.853 4.868 0 50 FJAA COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(CN(C)C)cc12 72440672 ZNBCZLULNIEXDD-UHFFFAOYSA-N 356.853 4.634 0 50 FJAA COc1ccc(-n2cc(CN3CCCC3)c(-c3ccccc3Cl)n2)cc1 72479053 TXHCGMOSGHXVNV-UHFFFAOYSA-N 367.880 4.797 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)c2csc(-c3cccs3)n2)c(C)s1 82096658 ZYNXQPHQBCVAKT-VIFPVBQESA-N 363.533 4.778 0 50 FJAA Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)nn1 82230412 QHTGQSPSZAKKLD-UHFFFAOYSA-N 353.809 4.791 0 50 FJAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100651929 HNTNZADMSPDNEK-OYUDYFSCSA-N 367.832 4.668 0 50 FJAA C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc2ccccc2c1 170600135 XDLBDVSCJOWDCD-OAHLLOKOSA-N 350.462 4.935 0 50 FJAA Cn1cnc2cnc(NC3CCC(Sc4ccc(Cl)cc4)CC3)nc21 2325839869 HJDXQGKABLFYDE-UHFFFAOYSA-N 373.913 4.532 0 50 FJAA Cc1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)no1 1019135 SPHPGHVABZKYGU-UHFFFAOYSA-N 359.429 4.855 0 50 FJAA Cc1cc(OCC(=O)C(C)(C)C)c2c(-c3ccccc3)cc(=O)oc2c1 1165627 ZSJUEMGJLDLCMK-UHFFFAOYSA-N 350.414 4.762 0 50 FJAA Cc1cc(OCCCC(=O)Nc2nc(C)c(C)s2)cc(C)c1Cl 1787160 VNZWCQQIQPMDIV-UHFFFAOYSA-N 352.887 4.828 0 50 FJAA COc1cccc(OCCCOc2ccc(C)cc2Br)c1 2983549 JIYHDELCTWQXOX-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA CC(C)c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 4558831 OOOFLHBTBNGKFU-UHFFFAOYSA-N 351.475 4.822 0 50 FJAA Cc1cc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc2n1 4625126 VWKZGNWLJPLGJR-UHFFFAOYSA-N 362.473 4.536 0 50 FJAA O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1cccs1 4809761 ALCNTCOJKUYTCT-UHFFFAOYSA-N 362.454 4.593 0 50 FJAA CCc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 43056870 QLCWYYZANVGWCT-INIZCTEOSA-N 353.441 4.751 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)[nH]n2)s1 91625790 VAYIMOYCHRVSPW-INIZCTEOSA-N 370.478 4.535 0 50 FJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)[nH]c12 92046858 IJTHFOAFXSMGSW-GOSISDBHSA-N 372.472 4.947 0 50 FJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 100958187 YADDAZHFALFGLP-LRGYGIHKSA-N 361.441 4.631 0 50 FJAA CCCc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)cc1 239165078 NKEVONKMIIRLDD-DZOXSVECSA-N 369.505 4.510 0 50 FJAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cc(C)ccc2C)cc1 426503511 NONSAGDMRZTEHN-HSZRJFAPSA-N 374.484 4.825 0 50 FJAA COc1ccc(Oc2ccc(NC(=O)[C@H]3CCOC(C)(C)C3)cc2)cc1 824684089 GXAYPXUOLRSFNO-HNNXBMFYSA-N 355.434 4.631 0 50 FJAA Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H]1CCc2ccccc21 1437470878 AFEPVLDGRPXIQH-OAHLLOKOSA-N 364.670 4.828 0 50 FJAA c1ccc(CCN(Cc2cnc(-c3ccccc3)s2)[C@H]2CCOC2)cc1 2325870190 MJBQBUBHCAWHPQ-FQEVSTJZSA-N 364.514 4.644 0 50 FJAA O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1 703865 HPEGNPQGXXXQQM-LJQANCHMSA-N 367.452 4.605 0 50 FJAA Cc1cccc2c(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc(-c3cccnc3)nc12 1460018 BBTZYVJHHXTJPJ-HOTGVXAUSA-N 359.473 4.723 0 50 FJAA OCc1cn(-c2ccccc2F)nc1-c1cc(F)c(Cl)cc1Cl 2544744 PMFCWNYTDZNDAK-UHFFFAOYSA-N 355.171 4.617 0 50 FJAA O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)NC1CCCCC1 2767880 ICPMBLNXLGKHIK-UHFFFAOYSA-N 367.280 4.692 0 50 FJAA COc1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2848324 FBRSWUWWUOFWJP-SNVBAGLBSA-N 373.758 4.773 0 50 FJAA CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 3907708 XGGDHXKWOWTYTM-AWEZNQCLSA-N 363.255 4.509 0 50 FJAA Cc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 6811171 ZISYNJYNCMLRIX-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)o1 11842277 GNNMLMBTXJVXTH-AWEZNQCLSA-N 368.433 4.516 0 50 FJAA COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccc(Cl)cc2)c(F)c1 11936469 JMCKUBPGFBGJCH-LBPRGKRZSA-N 359.832 4.729 0 50 FJAA CC(C)c1nc2cc(NC(=O)N(Cc3cccc(O)c3)C3CC3)ccc2[nH]1 299783618 WCYKJHPZGZVJJE-UHFFFAOYSA-N 364.449 4.588 0 50 FJAA CC(C)CCN(C(=O)c1ccc(-c2cc(F)c(F)cc2O)cc1)C1CC1 426537387 BYBZSCPGONFZKL-UHFFFAOYSA-N 359.416 4.988 0 50 FJAA Cc1ccc2ncccc2c1CN1CCC[C@H](c2nc(CC(C)C)no2)C1 952989420 QJRUSOCRNNXZQS-KRWDZBQOSA-N 364.493 4.504 0 50 FJAA CC(=O)NCCc1cc(-c2csc(Nc3ccc(F)cc3)n2)ccc1F 2325744664 HNNQRKVHGGLWAB-UHFFFAOYSA-N 373.428 4.511 0 50 FJAA COc1ccc2c(Cl)c(C(=O)N3CCc4ccccc4C3)sc2c1 1184852 AUBDUXAMEJKKOB-UHFFFAOYSA-N 357.862 4.762 0 50 FJAA O=S(=O)(Nc1cccc2ccccc12)c1cc(Cl)ccc1Cl 1205704 AVWZDSNQQADYRF-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA CC(=O)c1cccc(Nc2nc(-c3c(C)nc4sccn34)cs2)c1 2878687 QKWVXRSXJBYHCP-UHFFFAOYSA-N 354.460 4.774 0 50 FJAA CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccccc1-2 2915626 RGTMRJPPUOGNLA-KRWDZBQOSA-N 368.462 4.835 0 50 FJAA COc1cccc(CNc2ccc(-c3nc4ncccc4o3)cc2)c1OC 4418074 HZIMSDKSOIPQQS-UHFFFAOYSA-N 361.401 4.519 0 50 FJAA CC(=O)Nc1ccc(C(C)(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1 4956087 IMTXQAABRYBNRD-UHFFFAOYSA-N 372.468 4.958 0 50 FJAA COc1cc(CNCc2cccs2)cc(Cl)c1OCc1cccnc1 4999720 FTWPJVFKZSTOEQ-UHFFFAOYSA-N 374.893 4.674 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3ccccc3Cl)c2C)cc1 12030145 LMMKSDDYFLDQAA-AWEZNQCLSA-N 355.869 4.694 0 50 FJAA CCC(CC)C(=O)N(Cc1cccc(OC[C@H]2CCCCO2)c1)C1CC1 12129634 OTPVAMFYVYVFRL-OAQYLSRUSA-N 359.510 4.562 0 50 FJAA CCCCc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1 17073706 VVKIBCCQCUEAQW-UHFFFAOYSA-N 356.516 4.941 0 50 FJAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)cc1 35561738 WYTSETYOPZVOCQ-HXUWFJFHSA-N 366.461 4.931 0 50 FJAA CSc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 55543732 KKHUNUWLDFSNCL-UHFFFAOYSA-N 366.452 4.750 0 50 FJAA Cc1ccc2nc(-c3cnn(C(C)C)c3)cc(C(=O)N(C)CC(C)C)c2c1 63856601 ZYXBJPQJGGSPNF-UHFFFAOYSA-N 364.493 4.716 0 50 FJAA Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3CCc3ccccn3)c(C)c2c1 91461765 CSYGTAMIYRBDHO-IBGZPJMESA-N 361.489 4.807 0 50 FJAA COc1cc(NC2CCC3(CC2)C(=O)Nc2ccccc23)ccc1Cl 193850444 BVIFXQTUYQXUCQ-UHFFFAOYSA-N 356.853 4.593 0 50 FJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@H](c4ccccc4)N23)cc1OC 230133858 NKJZBGHLJGKNOS-GEKCJSMOSA-N 370.452 4.631 0 50 FJAA CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 239432780 WKJWFESSCHFAQW-WFDRNDOFSA-N 374.528 5.511 0 50 FJAA Cc1ccccc1-c1cccc(NC(=O)N2CCC[C@H](C(C)(C)O)C2)c1 299793604 HHUKAGWKMUNZHU-SFHVURJKSA-N 352.478 4.677 0 50 FJAA CCn1c(C)cc2cc(NC(=O)C3(N4CCCC4)CCCCC3)ccc21 823582542 IDEZYURMSGJYGH-UHFFFAOYSA-N 353.510 4.707 0 50 FJAA COc1ccc(NC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)cc1 1349551519 IJRFZGMCOZGEPC-UHFFFAOYSA-N 371.440 4.903 0 50 FJAA COc1cc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)sn1 1875328633 CNFRJXABLNDYOC-ZDUSSCGKSA-N 354.479 4.525 0 50 FJAA O[C@@H](CCc1cccc(NCc2cccn3ccnc23)c1)c1ccccc1 1875337355 SJWUBKCGBLZJIB-QFIPXVFZSA-N 357.457 4.613 0 50 FJAA C[C@H]1CN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C[C@H](C)O1 639700 BHSQKRRRFNEPQQ-RYUDHWBXSA-N 359.882 4.625 0 50 FJAA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)o1 651641 KFLVTDTXSKTSMA-UHFFFAOYSA-N 357.616 4.558 0 50 FJAA CCc1c(C)sc(NC(=O)c2cccc(F)c2F)c1C(=O)OC(C)C 669655 ZYPFRPFLSOROFW-UHFFFAOYSA-N 367.417 4.715 0 50 FJAA CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1OCC 841271 WFUBRKZKXBSSCQ-UHFFFAOYSA-N 367.489 4.579 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3F)cc12 951803 IQQHKZFKWABIPT-UHFFFAOYSA-N 351.406 4.787 0 50 FJAA O=C(NCc1cccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 1073756 UBOUZOOQDZUDFQ-UHFFFAOYSA-N 373.843 4.880 0 50 FJAA O=Cc1ccc(OC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 1108327 MLALYRQZWPDDDO-UHFFFAOYSA-N 366.800 4.951 0 50 FJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 1122762 KOXCOZYSOMYUHD-UHFFFAOYSA-N 371.908 4.979 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1Cl)NCCc1ccccc1 2755993 JUAVDAMCRQPIDD-UHFFFAOYSA-N 352.261 4.511 0 50 FJAA CC(C)(C)c1ccc(OCCCCn2cnc3ccccc3c2=O)cc1 2863160 JVQVWKGGAZGBBV-UHFFFAOYSA-N 350.462 4.553 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)c4ccccc4OC)ccc3o2)cc1 2997915 YLBOQBZCLNRXQL-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1C 3892653 PBTLAIZRGWHNBM-UHFFFAOYSA-N 350.292 4.921 0 50 FJAA COc1ccc(Br)c(/C=C/c2ccc3cccc(O)c3n2)c1 4140773 FIANYJONZWXIBV-SOFGYWHQSA-N 356.219 4.882 0 50 FJAA Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 12307256 MIFDVTAQCYDHCC-FQEVSTJZSA-N 367.880 4.552 0 50 FJAA CC(C)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12710015 XZRYNCQVXBPIBX-IBGZPJMESA-N 361.489 4.894 0 50 FJAA COc1ccc(OC)c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 13329895 POSCQLNEFBSUJZ-JTQLQIEISA-N 369.248 4.893 0 50 FJAA CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)cc1 13642120 RGCQEPOFVQAQQX-GXTWGEPZSA-N 351.450 4.844 0 50 FJAA FC(F)(F)c1cnc2c(c1)[C@@H](NCCCc1nc3ccccc3[nH]1)CCC2 132670117 FCVKLJNYECKALD-HNNXBMFYSA-N 374.410 4.577 0 50 FJAA CN(C)C(=O)c1cc(F)ccc1NCc1csc(C2CCCCC2)n1 185209511 MGEUCTDKZPLBPN-UHFFFAOYSA-N 361.486 4.644 0 50 FJAA CC(C)(CO)[C@@H](CN[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 242147543 WSNXKPNHQJYBFB-ZWKOTPCHSA-N 351.412 4.682 0 50 FJAA O=C(c1csc2c1CCCC2)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 299764223 YLWOIFXQBRXBLB-KRWDZBQOSA-N 369.465 4.620 0 50 FJAA O=C(NCc1ccco1)c1cccc(COc2cccc3ccccc23)c1 998794 AUMHVEMELTVQOO-UHFFFAOYSA-N 357.409 4.942 0 50 FJAA COc1ccc(NC(=O)c2sc3cccc(F)c3c2Cl)cc1OC 1056572 FHQRGISXYWNCIH-UHFFFAOYSA-N 365.813 4.963 0 50 FJAA CSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 1060170 YPMRVVKVEQTLRH-UHFFFAOYSA-N 359.472 4.513 0 50 FJAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)o1 1121341 AKWCJCLWEFFCQX-UHFFFAOYSA-N 372.218 4.873 0 50 FJAA FC(F)(F)c1cc(NCc2ccc(Cl)cc2)nc(-c2ccccn2)n1 1391104 RMOZELLMKXEKQJ-UHFFFAOYSA-N 364.758 4.823 0 50 FJAA CCn1c(SCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 2873191 HFJXJSNYLRZODG-UHFFFAOYSA-N 352.438 4.878 0 50 FJAA CC[C@H](C)c1ccc(OCCOCCOc2ccc(C)cc2OC)cc1 2984805 SQXSCDRCSDLJPE-SFHVURJKSA-N 358.478 4.992 0 50 FJAA CC(C)(C)NCc1cc(Br)ccc1OCc1cccs1 3905159 AYTJXAGPYRAKAF-UHFFFAOYSA-N 354.313 4.978 0 50 FJAA CC(C)(C)c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 16116103 VYPDVNHFRRITBU-PDGQHHTCSA-N 368.864 4.730 0 50 FJAA CC(C)(C)CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67818022 RGCBDBAOYGBBKN-UHFFFAOYSA-N 366.383 4.945 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(CN(C)C)c3)cc2)o1 823709392 WQHDEHNKONUAEZ-UHFFFAOYSA-N 362.473 4.589 0 50 FJAA Cc1cccc2c1OCCC[C@H]2NCCc1nc2ccccc2n1C(F)F 2325722191 NQJUEEZLQZFQAC-MRXNPFEDSA-N 371.431 4.786 0 50 FJAA O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1 624098 AZKMWHRDICVYEI-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA in-vitro Cc1cc(C)c(C)c(OC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1 645474 QQZHDGIWRRIADG-UHFFFAOYSA-N 369.848 4.631 0 50 FJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 655664 NFPUKUXUCLDKFJ-GOSISDBHSA-N 352.459 4.915 0 50 FJAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 1228505 UZEOPOSCNGDFEA-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA CC(C)(C)N(Cc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F 2827549 MKYQGNJHVMRVDC-UHFFFAOYSA-N 357.322 4.823 0 50 FJAA O=C(CSCc1ccc(Br)cc1)Nc1ccc(F)c(F)c1 2881316 KCAIRLWOIXGTFP-UHFFFAOYSA-N 372.234 4.599 0 50 FJAA O=C1N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccccc1 4865683 ZLNAZOTVTNMVJS-HMMYKYKNSA-N 356.381 4.576 0 50 FJAA Cc1ccc2[nH]/c(=N\C(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1 6898200 NHHDEFORLNIXSC-UHFFFAOYSA-N 352.246 4.977 0 50 FJAA Clc1cccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)c1 8583074 VVIBINMAUHWIEJ-UHFFFAOYSA-N 353.857 4.771 0 50 FJAA COCc1cc(Br)ccc1Sc1ccccc1CN(C)C 13472750 JALKWQKISRAMLQ-UHFFFAOYSA-N 366.324 4.808 0 50 FJAA N[C@@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 33414784 DMXMANDNPIEVFL-HXUWFJFHSA-N 353.358 4.865 0 50 FJAA CCOc1cc(CN(C)[C@H](C)c2ccon2)c(Cl)cc1OC(C)C 55225882 BYEBYOUPYNPWDH-CYBMUJFWSA-N 352.862 4.707 0 50 FJAA CCOc1ccccc1NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 72119237 JEMASPICTLLPMA-UHFFFAOYSA-N 364.405 4.620 0 50 FJAA Cc1c(NC(=O)N(C)Cc2cc(C(C)C)on2)cccc1-n1cccc1 95525851 ACGUIPIPHPUODR-UHFFFAOYSA-N 352.438 4.561 0 50 FJAA Cc1ccc2oc(C(=O)N(C)[C@H](C)c3sc(C(C)C)nc3C)cc2n1 179202218 LTUJHXNFWNBCHS-CYBMUJFWSA-N 357.479 4.858 0 50 FJAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(Cl)cc(Cl)n1)CCC2 182041491 OYNIKPRAVAPUEI-GFCCVEGCSA-N 370.305 4.557 0 50 FJAA CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(=O)N(CC)CC 241316984 LWQCIVYQCIIPPX-LJQANCHMSA-N 373.541 4.627 0 50 FJAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 247993063 NWCBYUQVZYGLIH-VUGINNAHSA-N 366.505 4.744 0 50 FJAA CCc1ccc(CN(C)C(=O)c2cc(C[C@@H](C)c3ccccc3)no2)cc1 299766083 BTQASAAGQGEBLJ-QGZVFWFLSA-N 362.473 4.855 0 50 FJAA O=C(NC1(c2ccccc2Cl)CC1)N1CCC(c2cccc(O)c2)CC1 584894366 RFNHMIRCLJXPMH-UHFFFAOYSA-N 370.880 4.624 0 50 FJAA CSc1cccc(NC(=O)N2CCC3(CC2)OCCc2sccc23)c1 1704299875 UBCXVGDWANOJAF-UHFFFAOYSA-N 374.531 4.566 0 50 FJAA C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(OCC2CC2)c2ccccc2n1 1875357218 XKZCGTRRNQKAAY-OYHNWAKOSA-N 352.478 4.722 0 50 FJAA O=C(CCCCc1cccnc1)Nc1oncc1-c1ccc(Cl)cc1 1940197088 RBZWXFBGMKFKPS-UHFFFAOYSA-N 355.825 4.742 0 50 FJAA O=C(CN1CCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 848814 VBKSJLAPKJNYGO-UHFFFAOYSA-N 358.894 4.955 0 50 FJAA CCSc1nnc(NC(=O)c2cc(C)c(-c3ccccc3)s2)s1 1053504 HONDYLJEJZEULO-UHFFFAOYSA-N 361.517 4.939 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1c(Cl)cccc1Cl 1217349 RLEYGCKKEGWPFO-UHFFFAOYSA-N 352.246 4.601 0 50 FJAA CC(=O)c1cccc(OCCCOc2ccc(Cl)c3cccnc23)c1 2862758 VAHPDQGEWGSXND-UHFFFAOYSA-N 355.821 4.939 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1cccc(F)c1 4628534 VWAGFQLUSBEQNF-ZHZULCJRSA-N 373.383 4.749 0 50 FJAA CCC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 4868748 JSURKZVBDQHUDP-UHFFFAOYSA-N 371.742 4.927 0 50 FJAA CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 6699521 AFENPDQEXFTXJP-UHFFFAOYSA-N 364.396 4.671 0 50 FJAA Cc1cccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)c1 8611423 PKEARRYXVKHBIQ-UHFFFAOYSA-N 356.425 4.657 0 50 FJAA CN(Cc1cccs1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 12466213 SEZJURVFYAGFPC-SFHVURJKSA-N 362.970 4.788 0 50 FJAA CCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3Cl)on2)on1 33269923 UDRJTNQARBUOKS-INIZCTEOSA-N 371.824 4.523 0 50 FJAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3c(F)ccc(C)c3F)C2)cc1 77520658 LLKUNDKHOVFUMC-MRXNPFEDSA-N 359.416 4.513 0 50 FJAA Cc1cc([C@@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)no1 82092333 VQKSNFGJASNYHA-AWEZNQCLSA-N 359.476 4.535 0 50 FJAA CCN(C(=O)Nc1cccc(-c2cccnc2)c1)[C@@H]1CCOC(C)(C)C1 96153381 OGRTZEBIRBKRMR-LJQANCHMSA-N 353.466 4.560 0 50 FJAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc2c(Cl)cccc2s1 170613362 MEIZQZZEDORMJF-BBRMVZONSA-N 362.926 4.549 0 50 FJAA O=C(Nc1ccccc1OC1CCCC1)c1ccc(CN2CCCC2)cc1 170626663 VHRLNTRGZOPJCA-UHFFFAOYSA-N 364.489 4.856 0 50 FJAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 239433542 XXNRZZXPXAFYRJ-NTMFSWBNSA-N 357.497 5.328 0 50 FJAA O=C(O)c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)c1 328578976 DABYDTKKRSQVIC-UHFFFAOYSA-N 354.203 4.876 0 50 FJAA CCCCN(Cc1ccco1)C(=O)c1cccc(-c2c[nH]c(=N)c(C)c2)c1 426383730 DDDVWYLQIHOHBD-UHFFFAOYSA-N 363.461 4.505 0 50 FJAA O=C(C[C@H]1CCOC1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 489513554 LVZZUKODUIBMDT-OAHLLOKOSA-N 364.470 4.842 0 50 FJAA Cc1cc(CN(C)C(=O)N[C@@H](c2cccs2)C2CCCCC2)ccn1 584896355 QYONMLBXJNBEAV-LJQANCHMSA-N 357.523 4.915 0 50 FJAA CO[C@@H]1Cc2ccc(NC(=O)N3CCc4ccccc4[C@H]3C(C)C)cc2C1 752927988 BQURRVMWGMGICQ-IFMALSPDSA-N 364.489 4.588 0 50 FJAA O=C(O)c1csc2c(-c3ccc(OC[C@H]4CCOC4)cc3)cccc12 1875405536 ILYZTXUWZPMCOM-ZDUSSCGKSA-N 354.427 4.682 0 50 FJAA CCOc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1 1212184 ANOJDJNLPCXSJM-ZDUSSCGKSA-N 372.515 4.665 0 50 FJAA COc1ccc(CNCC[C@H](c2ccc(C)cc2)c2ccco2)cc1OC 2104053 QWWGMGVMIIWGCP-HXUWFJFHSA-N 365.473 4.917 0 50 FJAA biogenic O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc2cccnc12 2840922 USABHGCWAHHONW-UHFFFAOYSA-N 360.438 4.703 0 50 FJAA O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1 4760908 RZMIIIHNFYNUAB-UHFFFAOYSA-N 364.207 4.630 0 50 FJAA O=C(c1ccco1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 5042940 ADTFECBIJLPTKY-LCRSLFLVSA-N 362.385 4.902 0 50 FJAA Cc1ccc(CNC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 6274983 AWZQZWASYVJWOH-OAHLLOKOSA-N 356.535 4.720 0 50 FJAA Clc1cccc(-n2ncc3c(NCCCc4ccccc4)ncnc32)c1 8583041 AHVKDAUIFMCJFI-UHFFFAOYSA-N 363.852 4.514 0 50 FJAA CCOc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 15010869 IXLCEPJJTBUWLG-WJDWOHSUSA-N 359.834 4.980 0 50 FJAA CCC[C@H](C)c1nnc(NC(=O)N2CC[C@H](c3ccccc3F)C2)s1 20256649 AXUCKWYUAAFTAF-STQMWFEESA-N 362.474 4.602 0 50 FJAA CCCCN(Cc1ccccn1)C(=O)c1cc(C)nc2cc(F)ccc12 82106204 QEEBKMUYLVHRQS-UHFFFAOYSA-N 351.425 4.520 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H](c2ccccc2F)C1 82109139 VAODJHWWCLYPGV-INIZCTEOSA-N 366.461 4.503 0 50 FJAA CN(C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)C1CCOCC1 95499303 WXPAHIDSEQKLIP-UHFFFAOYSA-N 360.841 4.775 0 50 FJAA CC(C)(C)c1ccc(NC(=O)N2CCC(OCc3ccccn3)CC2)cc1 95505461 KZJJORQKEJBUAY-UHFFFAOYSA-N 367.493 4.592 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1n[nH]c(C2CCCCC2)n1)C(C)C 96150354 STAGBSAIVSAHJW-UHFFFAOYSA-N 354.498 4.778 0 50 FJAA COc1ccccc1-c1nnc(SCc2cccc3c2OC(C)(C)C3)o1 241371255 MLSAHWPSDTUXCK-UHFFFAOYSA-N 368.458 4.751 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)cc1 244773908 PIPIQLVLERETLV-HXUWFJFHSA-N 362.473 4.862 0 50 FJAA CCSc1ccccc1NC(=O)N(CCOC)Cc1ccccc1F 299783877 YWLAVFNFIJDIQC-UHFFFAOYSA-N 362.470 4.618 0 50 FJAA O=C1CC[C@@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc21 328794341 BKWIDABBWVMRCO-HXUWFJFHSA-N 372.468 4.634 0 50 FJAA CCC[C@@H](NS(=O)(=O)c1c(C)sc2ccccc12)C1CCCC1 1875357223 XMPYRNKSENBFFT-MRXNPFEDSA-N 351.537 4.847 0 50 FJAA CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 642714 SFVIFGKNSNVUQM-UHFFFAOYSA-N 366.424 4.831 0 50 FJAA COC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 943416 OWCNSRQYBWQSPI-CAPFRKAQSA-N 357.409 4.653 0 50 FJAA CSc1ccccc1C(=O)N[C@H](C)c1ccc(Br)cc1 1137999 NDWUMZQPUOLOCV-LLVKDONJSA-N 350.281 4.662 0 50 FJAA Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1C 1159423 ZUWAAYAVEHKCMW-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cc1ccc(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 1902737 RNMDRVMGHDTXCO-UHFFFAOYSA-N 368.816 4.505 0 50 FJAA CCCc1cc(-n2cnc3ccccc32)n2nc(C)c(-c3ccccc3)c2n1 2211864 BLBCZCMRKDPTHB-UHFFFAOYSA-N 367.456 4.996 0 50 FJAA CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 2962862 YSJQDKSTZLBDLU-AWEZNQCLSA-N 370.880 4.629 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl 2980755 FDDHTHFRVLXGNU-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 4910856 JLBXJGATYZPESO-SFHVURJKSA-N 365.473 4.973 0 50 FJAA Cc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3C)on2)cc1 8612406 WJEWTLYLCXZKQN-UHFFFAOYSA-N 356.809 4.629 0 50 FJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 12579603 LKTGMNSHNJYQIM-KRWDZBQOSA-N 359.901 4.521 0 50 FJAA Cc1ccc(CNC[C@@](O)(c2ccccc2)c2ccc(Cl)cc2)cc1 20219113 MYNKYKFAAVZKFR-JOCHJYFZSA-N 351.877 4.674 0 50 FJAA Clc1ccccc1-c1cncnc1[C@@H]1CCCN(Cc2ccoc2)C1 20913006 BCCSZBMRQQEKDL-MRXNPFEDSA-N 353.853 4.770 0 50 FJAA CC(C)SCCCCOc1ccc(I)cc1 23115324 VBIRIMRHZJWDAF-UHFFFAOYSA-N 350.265 4.592 0 50 FJAA C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 44934146 NJQXBZMZRZQGKZ-HNNXBMFYSA-N 374.887 4.569 0 50 FJAA Cc1noc(-c2ccc(C(=O)N(C)c3c(Cl)cccc3Cl)cc2)n1 155943304 DBNVZYLCYULXNP-UHFFFAOYSA-N 362.216 4.628 0 50 FJAA CCCn1c(C)cc(-c2csc(NC(=O)c3cncc(C)c3)n2)c1C 438890635 PBQAIEGMHWBQHC-UHFFFAOYSA-N 354.479 4.594 0 50 FJAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccn3Cc3cccs3)C2)cc1 470565061 PWGQSSDVECJDBQ-PKOBYXMFSA-N 364.514 4.925 0 50 FJAA CC(C)CC(=O)Nc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1 604275494 MTODTPIIAOXJIY-KRWDZBQOSA-N 350.462 4.730 0 50 FJAA C[C@H](OC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccncc1 860208174 SDXQZGQMTMGQJR-MEDUHNTESA-N 368.260 4.752 0 50 FJAA CCc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1 645027 VASRMVKSMONGSP-UHFFFAOYSA-N 367.352 4.632 0 50 FJAA Cc1ccc(C(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)cc1 1029561 NYFNMSYXVQEDII-UHFFFAOYSA-N 350.365 4.745 0 50 FJAA COc1ccc([C@@H](C)NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 1142094 AXCQIOOIUXTNMZ-GOSISDBHSA-N 359.469 4.879 0 50 FJAA CCN(CC)CCOc1nnc(-c2ccc(Cl)cc2)c2ccccc12 1215876 BKWFLVLTCCFMFJ-UHFFFAOYSA-N 355.869 4.671 0 50 FJAA CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C(C)C 2865836 JCHFBFYOIYRJAF-UHFFFAOYSA-N 361.463 4.585 0 50 FJAA Cc1ccc(SCC(=O)NCCSCc2ccccc2Cl)cc1 2979011 HVPNLTRFJIXCTM-UHFFFAOYSA-N 365.951 4.790 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)c1 5626741 QJNDKXNVTNBMRP-AWEZNQCLSA-N 350.443 4.557 0 50 FJAA O=C(CCC1CCCCC1)NCCCCNC(=O)CCC1CCCCC1 5897201 XAXZXPVARRAVHJ-UHFFFAOYSA-N 364.574 4.720 0 50 FJAA CC(C)CCOc1ccc(COc2ccc(CC(=O)O)cc2)cc1Cl 43190910 RMTBSQJIHYUPBA-UHFFFAOYSA-N 362.853 4.971 0 50 FJAA CCOc1cc(CN2CCCC2)ccc1Oc1ccc(C(F)(F)F)cn1 67834455 JYIZNZDBODOAAC-UHFFFAOYSA-N 366.383 4.887 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccco3)[nH]n2)s1 82125700 PIKSOCDGFNIXQP-INIZCTEOSA-N 355.463 4.797 0 50 FJAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100651928 HNTNZADMSPDNEK-BIPCEHGGSA-N 367.832 4.668 0 50 FJAA CC(=O)Nc1ccccc1CNc1nc2ccccc2n1-c1ccccc1 170607176 ZDCKEAVAFGMIOJ-UHFFFAOYSA-N 356.429 4.596 0 50 FJAA O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c3ccsc23)S1 199327021 LTUYGVUJLUTMIQ-YBEGLDIGSA-N 367.451 4.804 0 50 FJAA CN(C)C(=O)Sc1ccc(COc2cccc(N3CCCC3)c2)cc1 225825721 YEIDRBMMQPAQBK-UHFFFAOYSA-N 356.491 4.640 0 50 FJAA Cc1nccc(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1Cl 252484773 GHELGCHSBIXIQG-LBPRGKRZSA-N 365.811 4.733 0 50 FJAA O=C1C[C@@H](c2ccc(O)cc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263584917 CCWJFOLNQNWIOY-IBGZPJMESA-N 368.436 4.869 0 50 FJAA biogenic O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1ccc(O)cc1 263587366 GBSPLCPQPRDTRJ-JOCHJYFZSA-N 356.425 4.965 0 50 FJAA CCc1nc(CNC(=O)N(C/C=C/c2ccccc2)CC(C)C)cs1 426519021 UZYKXUYGNBFHBG-DHZHZOJOSA-N 357.523 4.587 0 50 FJAA Cc1cccc(COc2ccc([C@H](C)NCCc3cn(C)nc3C)cc2)c1 1875256258 UOFVKOTUFKIJSB-SFHVURJKSA-N 363.505 4.509 0 50 FJAA CCOc1ccc(Cc2c(Cl)nc(SC)nc2N(CC)CC)cc1 888659 YZUDQULGMHZSKB-UHFFFAOYSA-N 365.930 4.688 0 50 FJAA Clc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCCC4 1000366 VTUNPRPXSDGZTC-UHFFFAOYSA-N 354.866 4.928 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc1Br 1110098 XOBQFHUXXSALEN-UHFFFAOYSA-N 372.621 4.568 0 50 FJAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 1120140 QXXJIPSLNBZCMO-UHFFFAOYSA-N 361.772 4.969 0 50 FJAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3Cl)ccc12 1183678 PZISWHAPLRBBSK-UHFFFAOYSA-N 363.196 4.670 0 50 FJAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 1190230 VKFHDXNFINYJJL-LLVKDONJSA-N 368.647 4.769 0 50 FJAA CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1 2751330 CVXXCIZEGNCOLG-UHFFFAOYSA-N 370.404 4.500 0 50 FJAA Cc1ccc(OCn2ccc(C(=O)Nc3cccc(Cl)c3C)n2)c(C)c1 2796589 CRVGTRWZCLYGOZ-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1 3291701 FPBHDMFHPWYIRL-LBPRGKRZSA-N 356.472 4.618 0 50 FJAA N=C1NC(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)S1 6244102 IRSZCPBVWHCCCX-UNOMPAQXSA-N 360.438 4.557 0 50 FJAA O=C(Nc1cccc(-c2noc(-c3c(F)cccc3F)n2)c1)c1ccco1 6703899 SVXUOVQCXQTBLS-UHFFFAOYSA-N 367.311 4.527 0 50 FJAA COc1cccc(CN(C)Cc2nc(-c3cccc(F)c3F)oc2C)c1 11662971 AETDAQRNAJIREB-UHFFFAOYSA-N 358.388 4.569 0 50 FJAA CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1 13937934 LQOJEOMWMNOAQV-UHFFFAOYSA-N 372.317 4.670 0 50 FJAA CCOc1cc(C(=O)N([C@@H](C)CC)[C@H](C)CC)cc(OCC)c1OCC 16226037 FTXMOXBKTXBRSH-IYBDPMFKSA-N 365.514 4.922 0 50 FJAA Cc1ccc2c(C(=O)N3CCCCCCC3)cc(-c3cncnc3)nc2c1C 63883129 RDYWFZFOZCIMJS-UHFFFAOYSA-N 374.488 4.715 0 50 FJAA Cc1ccc(-c2cccc(C(=O)N3CCC[C@H]3c3nc(C(C)C)no3)c2)o1 82115657 XVBZICYUSXFKHS-KRWDZBQOSA-N 365.433 4.739 0 50 FJAA Cc1nc([C@H](C)NC(=O)N(Cc2ccncc2)C2CCCCC2)c(C)s1 426658205 JTLUJVGTYOWDHE-AWEZNQCLSA-N 372.538 4.760 0 50 FJAA C[C@H](C1CC1)n1nc(C2CCCC2)nc1-c1cccc(P(C)(C)=O)c1 1875330883 GWSZIRLOZZAVCD-CQSZACIVSA-N 357.438 4.822 0 50 FJAA COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2 828676 HIXSPVQXXDULHS-UHFFFAOYSA-N 359.429 4.560 0 50 FJAA in-vitro CC1=CC(C)(C)N(C(=O)CSc2nnc(C)s2)c2cc(C)c(C)cc21 1147442 WFPLBWIFTXXAMV-UHFFFAOYSA-N 373.547 4.784 0 50 FJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 1217827 HWFVLHYFEOZCAY-UHFFFAOYSA-N 360.129 4.600 0 50 FJAA C[C@@]1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CC1(Cl)Cl 2103587 MVZXUWNIXFZMJE-ZDUSSCGKSA-N 361.681 4.986 0 50 FJAA CCCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 2999064 PGXSXFKLTOEKDA-UHFFFAOYSA-N 353.871 4.628 0 50 FJAA O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3C=O)cc2)cc1 4237793 VHNLWXRMYDFSKN-UHFFFAOYSA-N 356.381 4.685 0 50 FJAA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 5593616 GHLCBQZUTBKNAD-VKJFTORMSA-N 370.246 4.974 0 50 FJAA Cn1cc(CN2CC[C@@H](c3ccc(F)c(F)c3)Sc3ccccc32)cn1 12149768 QJAXURDYPGHPPY-IBGZPJMESA-N 371.456 4.942 0 50 FJAA CCCC[C@H](CC)C(=O)NC1CCC(NC(=O)[C@H](CC)CCCC)CC1 16226013 WHFDZVRYSUDUBR-VCWRXUFXSA-N 366.590 4.963 0 50 FJAA CCN(CC)C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2c(C)c(C)ccc12 63844351 DBMNWOGYNWMYPJ-UHFFFAOYSA-N 374.488 4.668 0 50 FJAA Cc1cc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)c2cccc(Cl)c2n1 97636577 XWQQRDOHBHGVNM-MRXNPFEDSA-N 372.896 4.618 0 50 FJAA O=C(Nc1cccc(NC(=O)c2ccoc2)c1)Nc1ccccc1Cl 131770032 YWDOSHUZGRJCBH-UHFFFAOYSA-N 355.781 4.829 0 50 FJAA Brc1ccc2oc(Br)c(Br)c2c1 138000794 VRKBYKVOXLZPHF-UHFFFAOYSA-N 354.823 4.720 0 50 FJAA O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 825883 YDIRZITYHNWFRQ-CQSZACIVSA-N 373.667 4.721 0 50 FJAA CC(C)Oc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 951039 DORBRMWLTFXIDC-UHFFFAOYSA-N 354.233 4.798 0 50 FJAA CCc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 995924 KJAFYOIQIXBVCY-INIZCTEOSA-N 355.488 4.573 0 50 FJAA O=C(/C=C/c1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 1208710 RJAPKCMSZNWXMR-MDWZMJQESA-N 357.369 4.649 0 50 FJAA COc1cc(C=O)c(Br)cc1OCc1ccc(Cl)cc1 1214220 SGESXKAAZRNMTF-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 1219988 SCEVJSGKGXHHHY-SOFGYWHQSA-N 365.776 4.788 0 50 FJAA CCCCCOc1ccc(-c2n[nH]c(=O)cc2NC2CCCCC2)cc1 2506166 OFXYAMHKIXPMJB-UHFFFAOYSA-N 355.482 4.751 0 50 FJAA CCOc1cc2c(cc1OCC)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 4488947 RYCOPIMOKIYQMP-LBPRGKRZSA-N 363.816 4.751 0 50 FJAA COC(=O)c1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 5033567 OXLRJRODAFNPFJ-UHFFFAOYSA-N 373.387 4.966 0 50 FJAA COc1ccc(CCNc2c(Cl)c(C)nc(C)c2Cl)cc1OC 6920700 NCLSBZLMZCMHHK-UHFFFAOYSA-N 355.265 4.677 0 50 FJAA C/C=C(\C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12151178 CRSXUPZQCQXXJO-MFRRKEJXSA-N 359.473 4.902 0 50 FJAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCc2cccs2)C1 12575518 XBDYIKJXAKCJFV-HNNXBMFYSA-N 373.543 4.524 0 50 FJAA c1ccc(-c2ncn(CCc3csc(-c4ncccn4)n3)c2C2CC2)cc1 65431176 BIQFNTUGWRWWMV-UHFFFAOYSA-N 373.485 4.584 0 50 FJAA COc1ccc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c(OC)c1C 97547870 RNLASHJSDOOTIA-IBGZPJMESA-N 365.477 4.534 0 50 FJAA Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 149487853 HWAIAGZSWHOLLK-UHFFFAOYSA-N 356.385 4.947 0 50 FJAA O=C(O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226340132 WXYITJFJPRKLQT-UHFFFAOYSA-N 359.578 4.519 0 50 FJAA C[C@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccccc1 239432843 WPGSJVUKSMYCJB-GVALYMNDSA-N 357.497 5.232 0 50 FJAA COc1ccc(Cc2noc(C3CCC(F)(F)CC3)n2)c(Cl)c1OC 330919384 YMFDBJMCCJRZAD-UHFFFAOYSA-N 372.799 4.624 0 50 FJAA COc1cc2ccc(NC(=O)N3C[C@H]4CCCCC[C@@H]43)cc2cc1OC 1875267729 MAGHHBFPCKFDRJ-QAPCUYQASA-N 354.450 4.653 0 50 FJAA Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCc4ccccc4C3)c2c1 937301 QSMVAGLPDWAWDU-UHFFFAOYSA-N 357.379 4.828 0 50 FJAA CCOC(=O)c1ccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 948446 YBOFVXJQTVTYGR-LBPRGKRZSA-N 367.474 4.736 0 50 FJAA C[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 951703 WSELANVDEHZSHJ-SNVBAGLBSA-N 358.652 4.903 0 50 FJAA Cc1cc(C)cc(NC(=O)CSCc2ccc(Br)cc2)c1 1072872 SBEIOTNEVCPOBA-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(C)cc1 1112494 BTXYYAKHADVYDC-UHFFFAOYSA-N 355.503 4.744 0 50 FJAA CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 1132117 FRYBPKGHZDLWNV-UHFFFAOYSA-N 364.367 4.942 0 50 FJAA COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2Cl)cc1 1140875 KOVKIWGASYPYHO-UHFFFAOYSA-N 354.233 4.636 0 50 FJAA Cc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C 1159802 QQBIMEFAJXTVFH-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA COc1ccc(CNc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384840 RJRBLBKDDWSION-UHFFFAOYSA-N 355.441 4.841 0 50 FJAA O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(F)cc1)CO3 1772423 ICGBZPRSTHVDID-UHFFFAOYSA-N 373.383 4.956 0 50 FJAA Cc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1773421 SZWDHMJHFHZBSN-UHFFFAOYSA-N 352.478 4.783 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 3772506 RPBOVUWGOQOEDY-KDOFPFPSSA-N 368.506 4.918 0 50 FJAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 4625948 MAIGEASMWWQIET-GOSISDBHSA-N 367.836 4.542 0 50 FJAA CC(C)C(=O)Nc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 4865589 XXQBXVCZRQPQCN-UHFFFAOYSA-N 362.882 4.665 0 50 FJAA COc1ccc(C(=O)Nc2cccc3nc(C)ccc23)cc1Br 6702838 XPFZZXVFVMXGQX-UHFFFAOYSA-N 371.234 4.567 0 50 FJAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(Br)c1 16650486 SDNWBAJJCVOWPB-UHFFFAOYSA-N 374.263 4.528 0 50 FJAA COc1ccc(CN2CCCC2)cc1Oc1cc(C(F)(F)F)cc(C)n1 67803711 FEEGPKBAGUQKNH-UHFFFAOYSA-N 366.383 4.806 0 50 FJAA C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H](Nc5ccccc5)C4)c23)C1 229793794 QYUZIADLONNFBK-GDBMZVCRSA-N 364.518 4.507 0 50 FJAA CCOc1ccc(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)cc1OC 252492393 MKVUJSKVQUBIDU-UHFFFAOYSA-N 367.449 4.629 0 50 FJAA CCn1c(C)cc2cc(NC(=O)N[C@@H](c3cccc(C)n3)C3CC3)ccc21 299801163 VGBWZYCDNMUWNU-OAQYLSRUSA-N 362.477 4.946 0 50 FJAA CC[C@@H](SC)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 437347325 MRAPUNPEBCUBNM-LLVKDONJSA-N 360.426 4.616 0 50 FJAA O=C(/C=C/c1cccs1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 767135617 QJMMHBHTFCFUOF-NPQIQWPPSA-N 351.393 4.796 0 50 FJAA CC(C)(C)c1ncc(C=Cc2nc(C(=O)O)c(Br)s2)s1 1857530807 UDUIVQPCUQLFAX-UHFFFAOYSA-N 373.297 4.528 0 50 FJAA CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(N)cc2s1 639876 GALLHTQNUIMNPR-UHFFFAOYSA-N 371.531 4.734 0 50 FJAA O=C(COc1ccc(Br)cc1)Nc1cccc2ccccc12 857088 LENIOFHQRODTEU-UHFFFAOYSA-N 356.219 4.620 0 50 FJAA Cc1sc2ncnc(SCC(=O)Nc3ccc(Cl)cc3)c2c1C 888550 REGMSGPMPYOFBJ-UHFFFAOYSA-N 363.895 4.692 0 50 FJAA Cc1cc(C(F)(F)F)nc2sc(C(=O)c3ccc(F)cc3F)c(N)c12 968918 HDGAWFHDNOTQMM-UHFFFAOYSA-N 372.318 4.715 0 50 FJAA CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 1013758 VPYBHENIKUNLTC-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA CC(C)(C)c1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1 1016493 MBWLEWYORAEDDX-UHFFFAOYSA-N 364.474 4.729 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 1288453 PMEARDBKSJGCCS-UHFFFAOYSA-N 359.385 4.541 0 50 FJAA O=C(CSc1nc2cc(C(F)(F)F)ccc2s1)NC1CCCCC1 5065730 LCRLHFKGIWWFJM-UHFFFAOYSA-N 374.453 4.856 0 50 FJAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3cccc(F)c3F)CC2)c1 12241414 RZGLLKGLDPROHZ-UHFFFAOYSA-N 371.406 4.874 0 50 FJAA O=C(CCC(F)(F)F)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 12594291 SIVHDGMBFWRIDB-IBGZPJMESA-N 374.491 4.614 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(Cc2ccsc2)C1 20601119 WCGFICLTTXWXRE-CQSZACIVSA-N 359.445 4.796 0 50 FJAA CCn1cc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)c(C)n1 20603100 ZBGNBVQNQUWGNH-UHFFFAOYSA-N 371.366 4.689 0 50 FJAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 63871954 GTGAKZMTIPWTAX-MRXNPFEDSA-N 362.477 4.612 0 50 FJAA COCc1nn2c(-c3cccs3)ccnc2c1-c1ccc(Cl)cc1 67631195 SXPWSIVYCUGXFT-UHFFFAOYSA-N 355.850 4.925 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3c3cccnc3)o2)cc1 96133120 VGMSBPWYTPGUDP-LJQANCHMSA-N 362.429 4.718 0 50 FJAA CN(C)CCCC1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 123495200 NGOXWJINFQJSSO-UHFFFAOYSA-N 361.917 4.549 0 50 FJAA S=c1sc(NCc2ccccc2)nn1CN1CCC[C@@H]2CCCC[C@H]21 229979084 AIBGTLFHWPJRNK-DLBZAZTESA-N 374.579 4.898 0 50 FJAA C[C@@H](CCCC(C)(C)O)n1ccnc1-c1cc2ccc(Cl)cc2nc1O 1857681483 KYOGRUCYHKRKLP-ZDUSSCGKSA-N 373.884 4.960 0 50 FJAA Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2522083 KGMQCFDFHNIKKK-UHFFFAOYSA-N 364.466 4.709 0 50 FJAA CCn1c2ccccc2c2cc(CNCCc3ccc4c(c3)OCO4)ccc21 2735133 CNLUJCLUKUPZOQ-UHFFFAOYSA-N 372.468 4.875 0 50 FJAA CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)cc1 13642117 RGCQEPOFVQAQQX-TZMCWYRMSA-N 351.450 4.844 0 50 FJAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NCc2ccc(F)c(F)c2)c1 14977544 JSQWADIYAHYYOK-OAQYLSRUSA-N 367.443 4.935 0 50 FJAA Cc1ccc(C)c2c(C)c(C(=O)N(CC3CCC3)C[C@H]3CCCO3)[nH]c12 92078316 QERKSZUPBVLXEG-GOSISDBHSA-N 354.494 4.514 0 50 FJAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 100958180 YADDAZHFALFGLP-SNHGZMDHSA-N 361.441 4.631 0 50 FJAA Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(-c4ccc(O)cn4)cc3)C2)c1 534587705 CYMMEQMBDBKGDT-OAQYLSRUSA-N 372.468 4.782 0 50 FJAA COCC1(Cn2ccnc2-c2cnc(-c3ccccc3C)s2)CCC1 1857693989 VZEXNGYJCNWWTD-UHFFFAOYSA-N 353.491 4.799 0 50 FJAA Cc1ccc(N2CCC[C@@H](NCc3cccc(-c4ccncc4)c3)C2)cc1 1875264707 NJHYPTYZXWTCKV-HSZRJFAPSA-N 357.501 4.816 0 50 FJAA Cc1nn(C2CCCCC2)cc1CNc1cccc([C@H]2CCCC(=O)N2)c1 1875290760 CBKZLGICXDHUCZ-OAQYLSRUSA-N 366.509 4.650 0 50 FJAA C[C@@H](c1cccc2ccccc12)N(C)C(=O)C12CCC(C(=O)O)(CC1)CC2 2325827928 UPXUQYRYZWWEMA-BPURVQTLSA-N 365.473 4.784 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1ccc1ccccc12 633212 YQWUHBUECADWIN-UHFFFAOYSA-N 357.409 4.809 0 50 FJAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCC2 837705 AXJJGDKIPVCHTI-UHFFFAOYSA-N 362.882 4.881 0 50 FJAA Fc1ccc(Nc2ncnc3ccc(Br)cc23)cc1Cl 955717 BMPNEWUJXFSCMJ-UHFFFAOYSA-N 352.594 4.928 0 50 FJAA CCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 1141430 OCHJJGPEACKUCS-UHFFFAOYSA-N 350.281 4.742 0 50 FJAA CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1 12421704 JMJYOTIXZUULGK-UHFFFAOYSA-N 357.461 4.701 0 50 FJAA CC(C)CCSc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 13207044 DAEPTIXAKGSDNY-UHFFFAOYSA-N 357.479 4.761 0 50 FJAA O=c1[nH]c(=S)n(C2CC2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 20608005 ITLLJPAUTQCGAF-UHFFFAOYSA-N 369.393 4.536 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H]1c1ccco1 36620826 QCAAQDMHHRBRJB-HNNXBMFYSA-N 356.809 4.874 0 50 FJAA Cc1cccc([C@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)c1C 129401205 FWEWLHJHKDPDJY-SFHVURJKSA-N 359.473 4.802 0 50 FJAA C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1nnnn1C1CCCCC1 189658752 STEXZRATPWGHHX-KUHUBIRLSA-N 357.477 4.509 0 50 FJAA O=C(C[C@@H]1CCCOC1)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 193563551 CMIRFVLDSZWFTQ-ZDUSSCGKSA-N 369.852 4.639 0 50 FJAA Cc1ccc(C)n1CCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 253395431 AKSYMKQYQSJQTL-HXUWFJFHSA-N 364.493 4.515 0 50 FJAA 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 263583468 GPLGAQQQNWMVMM-SVPJMPAISA-N 356.598 4.810 0 50 FJAA biogenic,in-vitro CC1(C)C(O)=Nc2ccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)cc21 330267146 QIXJGUBDDRZBSZ-LJQANCHMSA-N 363.461 4.718 0 50 FJAA CN(CC[C@H]1CCCCO1)Cc1c(-c2ccc(F)cc2)nc2ccccn12 952864140 YCBRFKZNLJHJNL-LJQANCHMSA-N 367.468 4.531 0 50 FJAA CC(C)(C)c1nc2cc(NC(=O)c3cc4ccncc4s3)ccc2o1 1441283414 VPOILXVBNLWODZ-UHFFFAOYSA-N 351.431 4.987 0 50 FJAA Cc1ccc(N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 1452611 OQJUQMGFZNNXTC-INIZCTEOSA-N 371.695 4.842 0 50 FJAA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1 2236056 UPDDOGVGXKTWSW-UHFFFAOYSA-N 366.873 4.719 0 50 FJAA Cc1sc2ncn3nc([C@@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c2c1C 2808331 LNLNUOCRIDFQKA-ZIAGYGMSSA-N 354.866 4.880 0 50 FJAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccs1 2980748 QUDUPHIRKSNPDW-UHFFFAOYSA-N 352.440 4.983 0 50 FJAA O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1cccc(F)c1 5512425 QZFYLXVLOBMJDO-OVCLIPMQSA-N 362.813 4.585 0 50 FJAA O=C(CC1CCCC1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 14980758 ILBJWDAJJHJRES-QFIPXVFZSA-N 371.521 4.706 0 50 FJAA COC[C@@H]1CCN(C2CCN(c3cccc(-c4ccc(C)cc4)c3)CC2)C1 23379769 GHRGNTGXQQNEJW-HXUWFJFHSA-N 364.533 4.599 0 50 FJAA CC[C@H](C)Oc1ccccc1CNCc1cnc(-c2cccc(C)c2)nc1 55042371 YOJYKSQWOLAPGP-SFHVURJKSA-N 361.489 4.919 0 50 FJAA O=C(CCC1CC1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67847458 MTYJLWYWGHFUNT-UHFFFAOYSA-N 364.367 4.699 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 172996807 QUHJUSOJPRYNRE-OAHLLOKOSA-N 361.507 4.640 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 216184725 ZPNSOHUNLGXFFF-HZPDHXFCSA-N 357.448 4.891 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2scc3c2CCCC3)cc1 244724191 MPMPRAALIOVMEO-FQEVSTJZSA-N 368.546 4.666 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)N(C)[C@@H]3[C@@H](C)CCC[C@H]3C)cc2)nn1 252516285 RGPQGVSMZRDIDZ-QVDMIQRCSA-N 368.481 4.866 0 50 FJAA 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 253612511 UHRMATMIZQHEIP-BJHMGQCVSA-N 374.521 4.670 0 50 FJAA CO[C@@H]1C[C@@H]2C[C@H](Nc3ccc(NC(=O)N4CCCCCC4)cc3)C[C@@H]2C1 333356995 CFQFPINCEVZRSD-ALFLXDJESA-N 371.525 4.710 0 50 FJAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1C 952990036 JWNXHJVXZUABEF-LJQANCHMSA-N 367.493 4.598 0 50 FJAA C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1O 1875264371 BCTWKEDUADTJPL-HNNXBMFYSA-N 366.848 4.844 0 50 FJAA CC(C)C(=O)CCc1cccc(NC(=O)c2cncc(-c3ccccn3)c2)c1 2325730453 RCSQYYSKKWQQNB-UHFFFAOYSA-N 373.456 4.554 0 50 FJAA Cc1cc(C)c(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)c(C)c1 4707285 KIEVVZXVWIRUIT-UHFFFAOYSA-N 353.491 4.981 0 50 FJAA Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3C)cc2)c1 5046889 VRERJHYAZHCUII-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA CC/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34961978 YXQCSWUATWXVGK-QCAYAECISA-N 362.510 4.715 0 50 FJAA in-vitro CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 169405463 WDEOECIQYPNENG-MOPGFXCFSA-N 351.446 4.663 0 50 FJAA Cc1nnc(-c2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)o1 174381342 CPQPAYCAQYWKLO-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(=O)N(CC)CC 241316983 LWQCIVYQCIIPPX-IBGZPJMESA-N 373.541 4.627 0 50 FJAA Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 241466128 NVACTZSDKUFAFB-UHFFFAOYSA-N 358.747 4.860 0 50 FJAA CN(C(=O)Nc1nc(C2CCOCC2)cs1)[C@H]1CCC[C@@H]1C(C)(C)C 333582097 ABEXPSKBOVMHEU-HOCLYGCPSA-N 365.543 4.716 0 50 FJAA COCCN1C(=O)CC[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 334162599 BWUZCBDITISIHN-SFHVURJKSA-N 368.864 4.798 0 50 FJAA Cc1csc(-c2cccc(NC(=O)c3ccncc3OC(C)C)c2)n1 2325741914 IQLDWAFKCMYNSE-UHFFFAOYSA-N 353.447 4.553 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(-c3csc(-c4ccccc4)n3)coc2c1 630437 VIFUFJQCNUDOFE-UHFFFAOYSA-N 363.394 4.509 0 50 FJAA biogenic Cc1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1C 1159928 DGTACBDMTKTQAL-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA COc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 1185904 VBZBCFCIPQWWAE-UHFFFAOYSA-N 372.218 4.970 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)c(Br)c1 1217002 VUUCPXQOMCPTNE-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 2324464 SMZQAZQJHXJDKQ-UHFFFAOYSA-N 372.425 4.777 0 50 FJAA CCOc1ccc(OCCOCCOc2cc(C)ccc2Cl)cc1 2985207 GBLFUIQAPPFWIL-UHFFFAOYSA-N 350.842 4.522 0 50 FJAA COc1ccc(-c2ccnc3c(-c4ccc(F)cc4)c(C)nn23)cc1OC 6757844 YNCBAEINQWHUPP-UHFFFAOYSA-N 363.392 4.528 0 50 FJAA CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSC)cc1 11717931 WNNBHXOBNREWQP-QFIPXVFZSA-N 364.514 4.567 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(-n3cccn3)cc2)cc1C 12305984 JADVXOWQKQWGAB-UHFFFAOYSA-N 371.488 4.511 0 50 FJAA Cc1oc(-c2ccccc2Cl)nc1CN1CCOc2ccccc2C1 15077538 LSYZJXDYIWDJFO-UHFFFAOYSA-N 354.837 4.698 0 50 FJAA Cc1ccccc1Oc1ncccc1CNC(=O)c1ccccc1Cl 67965924 JEMJMWHTPJHESC-UHFFFAOYSA-N 352.821 4.766 0 50 FJAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](Nc2ccccc2)C1 72149092 TXXBEUIZQHCRQM-NRFANRHFSA-N 371.484 4.774 0 50 FJAA Cc1nc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)cs1 95510221 YXJJPFBKXNZIFG-UHFFFAOYSA-N 362.498 4.674 0 50 FJAA C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccccc2Cl)CC3=O)C1 169363828 XXOJCYWPOYETKL-RBSFLKMASA-N 369.896 4.525 0 50 FJAA C[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1nnnn1C1CCCCC1 189658735 STEXZRATPWGHHX-LIRRHRJNSA-N 357.477 4.509 0 50 FJAA O=C(CCc1ccc(-c2cccs2)o1)N[C@H]1COC2(CCCCC2)C1 299759255 DQBCFPJAJBOGBR-OAHLLOKOSA-N 359.491 4.549 0 50 FJAA Cc1cc(NC(=O)c2nc3ccccc3cc2Cl)n(-c2ccccc2)n1 463252326 KVDWLENYVWIRQC-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2Cl)C1 464770423 KHGHHFMBWFEACC-CHWSQXEVSA-N 361.338 4.538 0 50 FJAA CCN(Cc1ccccc1Cl)C(=O)N[C@H](CCN(C)C)c1ccccc1 584888163 JLFAXRQUDAFYFW-HXUWFJFHSA-N 373.928 4.565 0 50 FJAA Cc1cc(CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)ccc1Cl 1875343071 PFBGIFDJLMRRBZ-UHFFFAOYSA-N 365.820 4.966 0 50 FJAA CN(C)CC[C@H](N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cccnc1 2325828242 BRKZLORPXMPWRL-ROUUACIJSA-N 364.320 4.658 0 50 FJAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc(Cl)cn2)o1 681580 DYPMWUIXAXCRBS-UHFFFAOYSA-N 370.623 4.737 0 50 FJAA Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(F)cc3)sc2n1 968934 MAPNOBSFUFSFHM-UHFFFAOYSA-N 354.328 4.576 0 50 FJAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1 993017 IAXDUJFVPBDMLA-KRWDZBQOSA-N 359.425 4.898 0 50 FJAA O=C(Cc1ccc(Cl)cc1)OCc1ccc(C(=O)c2ccccc2)cc1 1079795 PLIPEBYAKMJOPO-UHFFFAOYSA-N 364.828 4.857 0 50 FJAA Cc1cccc(C(=O)N[C@H](Nc2ccccc2)C(Cl)(Cl)Cl)c1 1232872 KGILQXXRQDPOHY-HNNXBMFYSA-N 357.668 4.533 0 50 FJAA O=C(CCCOc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 1903783 WACWQYFRLRGFBK-UHFFFAOYSA-N 356.422 4.747 0 50 FJAA Cc1cccc(-n2cc(CO)c(-c3cc(F)c(Cl)cc3Cl)n2)c1 2544759 CGJJQNQQWJMKHS-UHFFFAOYSA-N 351.208 4.786 0 50 FJAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 2850600 NYOCUOYRDDRZPI-JTQLQIEISA-N 354.631 4.509 0 50 FJAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4163126 PXLOOYFRPQPLNL-ROUUACIJSA-N 373.836 4.962 0 50 FJAA CCOP(=O)(Cc1ccc(NC(=O)Cc2cccs2)cc1)OCC 4722270 CLIRCMGLRDWINV-UHFFFAOYSA-N 367.407 4.695 0 50 FJAA Fc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)cc1 5302589 GSTPLMUUCVCSSI-UHFFFAOYSA-N 356.828 4.743 0 50 FJAA CCSc1ncc(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)n1 9305574 GGROBMSTYFXQON-UHFFFAOYSA-N 362.669 4.801 0 50 FJAA CN(Cc1nc2ccccc2o1)Cc1c[nH]nc1-c1cc2ccccc2o1 11663836 CNYFUZCNSWNJNT-UHFFFAOYSA-N 358.401 4.596 0 50 FJAA Cc1cc(CN[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)oc1C 12194321 KAZLUICXQDGQNC-IBGZPJMESA-N 357.404 4.528 0 50 FJAA Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 12431397 IMRXAZKHWQTPRB-QGZVFWFLSA-N 371.502 4.579 0 50 FJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)/C=C/C(C)C)cc1 12433184 SGTVXCKJXUVBOX-NJGYHNCTSA-N 351.494 4.523 0 50 FJAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccc(F)cc3)c2C)c1 13331476 TVQKHIKYMMJEDA-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA Cn1cncc1Cn1ccc(-c2cccc(-c3ccc4ncccc4c3)c2)n1 20855061 ZACIGNKSHWOYGH-UHFFFAOYSA-N 365.440 4.547 0 50 FJAA Cc1nc2c(C(=O)N3CCC[C@@H](CCc4ccccc4C)C3)cccc2[nH]1 71479677 FACBHYPKLVSSNU-SFHVURJKSA-N 361.489 4.665 0 50 FJAA Cc1cc2cc(NC(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)ccc2o1 96140247 XWYKCYHZMDNWQL-QGZVFWFLSA-N 363.461 4.731 0 50 FJAA c1ccc2oc(C3CCN(Cc4cncn4C4CCCCC4)CC3)nc2c1 1506420408 DCTIZOYNOBBIBZ-UHFFFAOYSA-N 364.493 4.909 0 50 FJAA CCCOc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Cl 1875322699 BHZDABHQTQKNDZ-UHFFFAOYSA-N 361.935 4.622 0 50 FJAA O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 1875336347 XKZVUKNCGGORHV-MISYRCLQSA-N 355.428 4.616 0 50 FJAA CC(C)C[C@@H]1C[C@H]1c1nc(-c2ccccn2)nn1Cc1cc(F)cc(F)c1 1875348607 WQGDBGMGJQVVRL-CRAIPNDOSA-N 368.431 4.816 0 50 FJAA CC(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1NCC(F)(F)F 1875357681 QVQZVIIBIRGIAE-OCCSQVGLSA-N 362.823 4.869 0 50 FJAA Cc1cccc(OC(=O)COc2ccc3ccccc3c2Br)c1 673847 CTMPWEYXNXPLMG-UHFFFAOYSA-N 371.230 4.895 0 50 FJAA Cc1cccc(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 836808 CPGARAGFQWJFAK-INIZCTEOSA-N 371.695 4.842 0 50 FJAA c1ccc(Cn2c(CNc3nc4ccccc4[nH]3)nc3ccccc32)cc1 845785 UOZXUZSHUJFFKO-UHFFFAOYSA-N 353.429 4.573 0 50 FJAA CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 1181470 KYXMTOPZFLSMQV-BOPFTXTBSA-N 373.861 4.975 0 50 FJAA CCOc1cc(OCC)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1208420 AHHPVKPTPDZTCW-UHFFFAOYSA-N 353.340 4.755 0 50 FJAA Cc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6272078 GGDZSPJGRBPKFW-UHFFFAOYSA-N 352.234 4.581 0 50 FJAA O=C(c1ccoc1)n1c(-c2ccccc2)cs/c1=N\c1ccc(F)cc1 6927878 UHBOAFLDVSDBLH-XDOYNYLZSA-N 364.401 4.870 0 50 FJAA Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](c3ccccc3F)C2)s1 77436493 ISJHPBKPIADQJU-MRXNPFEDSA-N 366.461 4.887 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CCCC[C@H]1c1nccs1 82114817 GABOTOKZOPOZKH-INIZCTEOSA-N 369.515 4.558 0 50 FJAA COc1ccccc1-c1cccc(NC(=O)N(CCO)C2CCCCC2)c1 97784809 AQXAYBWWJRBTTK-UHFFFAOYSA-N 368.477 4.521 0 50 FJAA Cc1cccc(-n2cc(CN(C)Cc3ccc([C@@H]4CCCO4)s3)cn2)c1 215395908 KAKKSWGBMZJPOX-FQEVSTJZSA-N 367.518 4.726 0 50 FJAA Cl[C@@]12C[C@H]3C[C@@H](C1)[C@@H](N[C@H]1[C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@H](C3)C2 239165216 NRVVIVURBWFXID-KSEUGCMOSA-N 354.365 4.948 0 50 FJAA Cc1cnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccccc1 331845285 QCUSNGUJAXHMJA-LSDHHAIUSA-N 363.383 4.759 0 50 FJAA Cc1ccc(-c2nnc([C@H](C)N3CCC[C@H](c4ccncc4)C3)o2)cc1C 333749936 XMDBQLZKMYBDIK-PXNSSMCTSA-N 362.477 4.689 0 50 FJAA O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(C(F)(F)F)cc1 732941739 KCTKHBSKQFXJDB-UHFFFAOYSA-N 367.327 4.615 0 50 FJAA CC(C)c1noc(C2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)n1 952867404 MVBROXWFHHFPMU-UHFFFAOYSA-N 358.873 4.707 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)C(c1ccccc1)c1ccccc1)C2 1704306185 SHEKWJFMEWUTDH-ZJSXRUAMSA-N 363.501 4.626 0 50 FJAA CC1(C)Cc2nc(O)c(-c3noc(C[C@]45CCC[C@H]4C5)n3)cc2C(C)(C)C1 1875356147 HKILOVXKQUBHGQ-WHEQGISXSA-N 367.493 4.820 0 50 FJAA CCOCc1csc(NC(=O)c2cccn2[C@H](C)Cc2ccccc2)n1 2325871319 HTAFNZZWDOYZMV-OAHLLOKOSA-N 369.490 4.537 0 50 FJAA CCc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12 1153606 SHXTYFUIFWKLHB-UHFFFAOYSA-N 358.393 4.770 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2c3c(cccc13)CC2 1166762 DCACTOQCDYXLRV-UHFFFAOYSA-N 351.833 4.918 0 50 FJAA O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1ccccc1Cl 1178771 MBIUHBVCWIWOAD-UHFFFAOYSA-N 374.827 4.661 0 50 FJAA COc1ccc2c(=O)/c(=C\c3ccc(Cl)cc3Cl)oc3cccc1c32 2856508 MODANVVTQVRCIZ-GIJQJNRQSA-N 371.219 4.809 0 50 FJAA CCCN(CC1CC1)C(=O)C1CCN(Cc2cccc3ccccc23)CC1 4673443 IRPXLVHLICJXFD-UHFFFAOYSA-N 364.533 4.700 0 50 FJAA O=C(CSCc1c(F)cccc1Cl)NCCSc1ccccc1 4827104 GVXNSECTXDVGNE-UHFFFAOYSA-N 369.914 4.621 0 50 FJAA COc1cc2c(cc1OC)CN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 4986933 GYXNTGHNDUVIDL-UHFFFAOYSA-N 371.480 4.833 0 50 FJAA COc1ccc2[nH]c(C)c(CCNCc3cccc(C(F)(F)F)c3)c2c1 19848529 JMANQSZLPQVTAI-UHFFFAOYSA-N 362.395 4.836 0 50 FJAA COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1 34055159 BSNCCNIXYMTVCL-UHFFFAOYSA-N 359.834 4.766 0 50 FJAA CC/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34961976 YXQCSWUATWXVGK-OJHPZFCVSA-N 362.510 4.715 0 50 FJAA in-vitro CCCN(Cc1ccccn1)C(=O)c1cccc(-c2ccc([C@H](C)O)cc2)c1 426549058 FPPKMPBAVILEGM-SFHVURJKSA-N 374.484 4.854 0 50 FJAA Cc1nc(-c2cccc(NC(=O)c3cccc(-c4ccc(C)o4)c3)c2)n[nH]1 825197906 UUZOFWYMAAULIV-UHFFFAOYSA-N 358.401 4.601 0 50 FJAA O=C(O)c1cc2ccccc2n1Cc1cc(Br)ccc1Cl 1875301969 ZNNXCMFBMLRDJR-UHFFFAOYSA-N 364.626 4.804 0 50 FJAA Cc1ccc(-c2csc3ncn(CCc4ccccc4)c(=O)c23)cc1C 952344 QLGZGQILOYWEMR-UHFFFAOYSA-N 360.482 4.985 0 50 FJAA O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3ccc(Cl)cc3)N12 977318 BKGPIZVLNPWNBR-IBGZPJMESA-N 366.873 4.684 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1C 997096 DGOKYYKLMBJMDI-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA CSc1ccccc1C(=O)N[C@@H](C)c1ccc(Br)cc1 1137997 NDWUMZQPUOLOCV-NSHDSACASA-N 350.281 4.662 0 50 FJAA Cc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2)cc1 2985186 ORMQBWUMZNDLTK-UHFFFAOYSA-N 365.951 4.790 0 50 FJAA COc1ccc(/C=C/c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 4664974 QLURUGAWCJRHFV-JXMROGBWSA-N 368.849 4.685 0 50 FJAA COc1cc(OC)c(-c2nc3ccccc3s2)cc1Br 5014058 LMPKDYIYLDXUGO-UHFFFAOYSA-N 350.237 4.743 0 50 FJAA Cc1c[nH]c(CN2CCOc3ccc(C4=Cc5ccccc5CC4)cc3C2)n1 11788368 GBIMUOPVOPUUDK-UHFFFAOYSA-N 371.484 4.600 0 50 FJAA CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCCCC(=O)O 35876757 JUBMLVBCKBUAQW-STWMVWSJSA-N 362.510 4.715 0 50 FJAA in-vitro O=c1c2cc(Br)ccc2sc2ccc(Br)cc12 148424749 MIGPGZSVGPGCCR-UHFFFAOYSA-N 370.065 4.940 0 50 FJAA O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)c1cc2c(F)ccc(F)c2[nH]1 164608273 KVFFXKYOEZSYSI-SCLBCKFNSA-N 374.431 4.590 0 50 FJAA CC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCc1c(C)noc1C 170607409 CTPZWZQKHRNSGS-UHFFFAOYSA-N 368.458 4.794 0 50 FJAA Cc1cc([C@H](NCc2ccc3ncccc3c2)c2cccnc2)ccc1F 479483587 NQJJKSYBIMPZBO-QHCPKHFHSA-N 357.432 4.957 0 50 FJAA C[C@H]1CC2(CCOCC2)CN1C(=O)c1sccc1-c1ccc(F)cc1 843722622 GYMLLDFHEZFEOX-AWEZNQCLSA-N 359.466 4.585 0 50 FJAA CC(C)(C)NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 640921 GSAKUOKSFBBUPK-UHFFFAOYSA-N 359.036 4.527 0 50 FJAA CN(C)C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 826172 UNKCNVJBRLJFQF-UHFFFAOYSA-N 353.425 4.666 0 50 FJAA CC(=O)Nc1sc2c(c1C(=O)Nc1c(C)cccc1C)CCCCC2 1102696 OOSSMXMSGKDMJD-UHFFFAOYSA-N 356.491 4.845 0 50 FJAA Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 1120721 LSQGJCBNLZXXJZ-UHFFFAOYSA-N 355.434 4.530 0 50 FJAA Clc1ccc(OCCCNCc2ccccc2)c(Br)c1 2824016 WDDZRPAQTJCDQY-UHFFFAOYSA-N 354.675 4.661 0 50 FJAA CCOC(=O)C[C@@H](NC(=O)[C@@H](CC)c1ccccc1)c1ccccc1Cl 3627314 MDTSTNLXQUIDDV-QFBILLFUSA-N 373.880 4.644 0 50 FJAA Fc1cccc(Cl)c1Cc1nnc(S)n1-c1ccccc1Cl 6402780 GNEXMHNAHPXPOL-UHFFFAOYSA-N 354.237 4.593 0 50 FJAA Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)NCc3cccnc3)c2c1 17076495 ROLAOYMFEZLYMF-UHFFFAOYSA-N 373.481 4.905 0 50 FJAA CCn1ncc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)c1C 20603093 DWCDMXDYTKOXJY-UHFFFAOYSA-N 371.366 4.689 0 50 FJAA COCCC[C@H]1CCCCN1C(=O)CCc1ccc(-c2cccs2)o1 222879978 VAQOQBODRJDCTC-MRXNPFEDSA-N 361.507 4.748 0 50 FJAA OC[C@]1(Cc2ccccc2)[C@H]2[C@@H]3CC[C@H]4[C@@H]5[C@H]6CC[C@@H]7[C@H]6[C@H]6[C@@H]5[C@@H]([C@H]43)[C@@H]2[C@@H]6[C@@H]71 257358891 WZWKRYSKYLCXLZ-RJIKQOPPSA-N 372.552 4.504 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 952991244 VKYPUJRLRDHLHW-QGZVFWFLSA-N 374.506 4.775 0 50 FJAA Cc1c(C)c(Br)c(Br)c(Br)c1C 641656 OPGNYUZUCQDMMG-UHFFFAOYSA-N 356.883 4.899 0 50 FJAA FC(F)(F)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 755530 LUOREXIGGPFXCH-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2o1 1012735 MBOHCCGEUMXEBH-UHFFFAOYSA-N 362.410 4.999 0 50 FJAA Cc1cccc(-c2noc(COc3ccc(Br)c(C)c3)n2)c1 1109920 UPONKRNVBMOZKK-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1154835 VFSFXVNZKNPUIW-UHFFFAOYSA-N 357.759 4.939 0 50 FJAA CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 1175973 STHAIGZSYIOUPV-AEFFLSMTSA-N 350.462 4.500 0 50 FJAA Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 2499160 SAPZUWSSGDNBFP-HNNXBMFYSA-N 355.434 4.566 0 50 FJAA COc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)cc1 2955994 RGLRLYSWAHNUMP-UHFFFAOYSA-N 359.834 4.766 0 50 FJAA COCC1CCN(C(=O)C[C@H](c2ccccc2)c2ccccc2Cl)CC1 12297602 IMCBYLZULLUQQW-HXUWFJFHSA-N 371.908 4.747 0 50 FJAA CC(=O)N1CCC[C@H](n2cnc(-c3ccccc3)c2CCc2ccccc2)C1 65409585 SITKBDSTRCSBLN-QFIPXVFZSA-N 373.500 4.519 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ncccc2C)CCO3)s1 67696829 HNIHFHCEIKLICS-UHFFFAOYSA-N 366.486 4.527 0 50 FJAA COCc1nn2c(-c3ccsc3)ccnc2c1-c1cccc(Cl)c1 72117417 WROOSPBVZPEHIC-UHFFFAOYSA-N 355.850 4.925 0 50 FJAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1cccc2nccnc12 97515035 WWKQNYSRDIBDIP-UHFFFAOYSA-N 353.853 4.726 0 50 FJAA Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1nc(C2CC2)no1 119452944 NRQKNFBXWMRPDH-CYBMUJFWSA-N 354.479 4.572 0 50 FJAA COC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 167661697 ZZLJNYAUCYCXHT-UHFFFAOYSA-N 367.408 4.659 0 50 FJAA CCCCC[C@@H]1C[C@@H](OC(=O)Nc2ccccc2)C=C(C)[C@H]1C(=O)OC 239339279 LXYPHJSHOAJKFP-NZSAHSFTSA-N 359.466 4.939 0 50 FJAA biogenic Cc1cc(C(=O)Nc2n[nH]c(C3CC3)c2C)ccc1NC(=O)OC(C)(C)C 772433300 FQSJRQSHBSYQDA-UHFFFAOYSA-N 370.453 4.503 0 50 FJAA C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc1)C12CC3CC(CC(C3)C1)C2 888105017 ULWDXTLUCHYVAS-OFVSLJOUSA-N 362.517 4.799 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2Cc2ccnn2-c2ccccc2)cc1 952981199 RZKAESVWEWOUPA-DEOSSOPVSA-N 374.532 4.661 0 50 FJAA COC(=O)c1cc2oc(-c3ccc(OC)cc3)cc2n1Cc1ccccc1 636629 XWGXBISIRBEGBV-UHFFFAOYSA-N 361.397 4.745 0 50 FJAA O=C(Nc1c(F)cc(F)cc1Br)c1ccc(Cl)s1 1052115 GFSFLWIQJRRREG-UHFFFAOYSA-N 352.587 4.695 0 50 FJAA COc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2135832 DHTBHHUSCHFVDL-UHFFFAOYSA-N 355.217 4.767 0 50 FJAA COc1ccccc1OCCCCOc1ccc(Br)cc1 2904106 WDAIYIVIHFGNRZ-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)C1 4302251 ROWKXAAHFUHOGZ-FMKPAKJESA-N 369.896 4.525 0 50 FJAA Cc1ccc(SCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 4833093 QLMLJAZPNVEBCZ-UHFFFAOYSA-N 355.488 4.700 0 50 FJAA Cc1ccc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 5683689 DUJVDRVLDFDXSQ-GFCCVEGCSA-N 354.730 4.946 0 50 FJAA C[C@H](NC(=O)C1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1 8240144 GXRHKVSLMXCSIW-IBGZPJMESA-N 372.512 4.929 0 50 FJAA COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cccc(C)n4)C3)ccc2c1 11932694 XXLDPDOCCFMHIA-NRFANRHFSA-N 374.484 4.647 0 50 FJAA c1cc(-c2ccn(Cc3ccncc3)n2)cc(-c2ncnc3sccc23)c1 19789123 LRKWAJHBENQQGO-UHFFFAOYSA-N 369.453 4.665 0 50 FJAA O=C(O)c1cc(Br)ccc1OCc1ccc(F)cc1Cl 20304043 PUJFAIIYJFJALD-UHFFFAOYSA-N 359.578 4.519 0 50 FJAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\CCC(=O)O 34961952 DPZIOENSPXELQY-WQZYYXEBSA-N 362.510 4.715 0 50 FJAA in-vitro CCc1nn(-c2ccccc2)c(NC(=O)c2cccc3cnccc23)c1C 55153294 ISYYIYZMBLSXPD-UHFFFAOYSA-N 356.429 4.544 0 50 FJAA CN(C)CCc1[nH]c2ccccc2c1C[C@@]1(c2ccccc2)CCCCC1=O 71769169 MPINFBBHDGQIRY-RUZDIDTESA-N 374.528 4.896 0 50 FJAA CC(=O)N(c1ccccc1)c1nc(-c2nc3c(F)cccc3n2C)cs1 123944217 NXZQBYOILCQUIS-UHFFFAOYSA-N 366.421 4.521 0 50 FJAA CN1Cc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc2NC1=O 2325746649 ITVJESDWKIZFOU-UHFFFAOYSA-N 354.410 4.670 0 50 FJAA COc1ccc(-c2ccc(F)c(-c3nccn3C[C@H](C)OC)c2)cc1F 2356161677 FIYXAVNBOVNRQC-ZDUSSCGKSA-N 358.388 4.539 0 50 FJAA CCOc1c(Cl)cc(CNc2ccc(N3CCCC3)cc2)cc1OC 624014 RIFAGEDURJEQIZ-UHFFFAOYSA-N 360.885 4.960 0 50 FJAA COC(=O)CCC1CCC(CC2CCC(CCC(=O)OC)CC2)CC1 639999 SXRWFAHEXULFMQ-UHFFFAOYSA-N 352.515 4.896 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc2nsnc12 677877 DQCVIRUQQSQRHA-FNORWQNLSA-N 350.230 4.650 0 50 FJAA COc1ccccc1OCc1nc2ccccc2n1Cc1ccc(C)cc1 784504 QSTZKFZJMSLJHQ-UHFFFAOYSA-N 358.441 4.981 0 50 FJAA COc1ccc(NC(=O)Nc2cc(C(C)C)c(OC)cc2C)cc1OC 1084489 HHDVZMDLIMHPFV-UHFFFAOYSA-N 358.438 4.788 0 50 FJAA O=C(NCCc1cccc(Cl)c1)C1c2ccccc2Oc2ccccc21 1140303 SNGNTEMBGPXKNC-UHFFFAOYSA-N 363.844 4.937 0 50 FJAA Cc1cccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1 1187939 XMBGLFOJKOCRAD-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 2982612 UIQHCUIYWWVZJB-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA CCc1ccc(CN2CCC(C(=O)N(CC)Cc3ccccc3)CC2)cc1 4725501 WXHCMQXBTCUYPD-UHFFFAOYSA-N 364.533 4.510 0 50 FJAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4866611 LEFKXNCNBNDCJX-VFZGTOFNSA-N 371.742 4.526 0 50 FJAA COc1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)cc2)cc1 5028099 FRHUEEYBBAJIOT-UHFFFAOYSA-N 353.809 4.740 0 50 FJAA CCN(/C=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O)CC 16991654 QIWHTHRIASTAHD-SRTPNSDISA-N 371.565 4.715 0 50 FJAA CCn1ncc2c(C(F)F)cc(-c3ccc(Br)cc3)nc21 20603654 JXAZPOMXLZLVEJ-UHFFFAOYSA-N 352.182 4.818 0 50 FJAA Cc1c(CO)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 34659558 CVSNQZVXFMLQBI-UHFFFAOYSA-N 354.453 4.524 0 50 FJAA in-vitro Oc1cc2oc3cc(O)c(Br)cc3c2cc1Br 43214967 LUDGIEPZFQPKOG-UHFFFAOYSA-N 357.985 4.522 0 50 FJAA CCOc1ccccc1CN(Cc1cc(Cl)c(O)c(OC)c1)C1CC1 55282071 ZDLFNFNQNQFBFX-UHFFFAOYSA-N 361.869 4.618 0 50 FJAA O=C(c1cccc2cccnc12)N1CCCC[C@@H]1CCc1ccc(O)cc1 63832824 WIBVFAMALWYPRP-LJQANCHMSA-N 360.457 4.568 0 50 FJAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 71755344 RUFLTTSCOSHUBY-IBGZPJMESA-N 373.500 4.870 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)NC3CCN(c4ccccc4)CC3)c2c1 77405981 VIAQMMIZFLAIAL-UHFFFAOYSA-N 373.500 4.504 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3nccs3)oc2c1 91644265 QHKNLRVCCACVJL-OAHLLOKOSA-N 356.447 4.574 0 50 FJAA FC(F)Oc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 100716240 AYACJSIUYYHDAD-HNNXBMFYSA-N 374.778 4.589 0 50 FJAA O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1cccc2ccccc12 169619074 FMPOWQSUNMGUMG-TYPHKJRUSA-N 355.437 4.913 0 50 FJAA Cc1c(Cl)cc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1Cl 408419545 LQJZSNKABRBBNX-MRXNPFEDSA-N 367.280 4.794 0 50 FJAA CC(C)Oc1cncc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1 480343274 MVAHBZDFYGNKTC-UHFFFAOYSA-N 374.400 4.773 0 50 FJAA O=C(c1ccc2scnc2c1)N1CCCC[C@@H]1CCc1cccs1 952962584 GQADSPGBOBUINS-OAHLLOKOSA-N 356.516 4.985 0 50 FJAA Cc1ccccc1[C@H](CC(C)C)NC[C@H](CO)Cc1ccc(F)c(F)c1 2325841435 UZDKMJJULWQEGV-GCJKJVERSA-N 361.476 4.801 0 50 FJAA CCOC(=O)[C@H](CC)Sc1ncnc2sc(-c3ccccc3)cc12 955535 ABMRCYJPHDCJEQ-AWEZNQCLSA-N 358.488 4.792 0 50 FJAA O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCCc1ccccc1 956568 XXBBTOCWEHURIE-UHFFFAOYSA-N 364.445 4.897 0 50 FJAA COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)cc2)no1 1130917 NABZOHFDMRWNFR-UHFFFAOYSA-N 365.614 4.828 0 50 FJAA Clc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 2326667 WCTPQMPXBKWNPS-UHFFFAOYSA-N 365.614 4.732 0 50 FJAA CCCCNC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 2837644 HKMYZUNIMCSWBG-UHFFFAOYSA-N 364.489 4.667 0 50 FJAA Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)NCc3ccccn3)c2c1 6627983 QVHAJKBCKTXBOP-UHFFFAOYSA-N 373.481 4.905 0 50 FJAA CCOc1ccc(CN2CCOc3ccc([C@H](O)CC(C)C)cc3C2)cc1 12052917 IYAKTSWFGSXLRA-JOCHJYFZSA-N 369.505 4.559 0 50 FJAA Cc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c(C)c1 12135804 XDMZECFNBUJZMU-PKTZIBPZSA-N 368.565 4.697 0 50 FJAA CCC[C@@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)cccc12 63856012 CLQZCVFOUUJHGC-MRXNPFEDSA-N 362.477 4.651 0 50 FJAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(Oc2ccccc2)c1 72158248 RVIKZKFDFMBDHP-QFIPXVFZSA-N 351.446 4.541 0 50 FJAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCc1cnc2ccccc2c1 91603338 FSFAFZPQOIVQFZ-UHFFFAOYSA-N 357.457 4.500 0 50 FJAA c1ccc(C2(c3ccccc3)CCCN(Cc3cncn3C3CC3)C2)cc1 92028926 IYCQVWNOCMXZBV-UHFFFAOYSA-N 357.501 4.800 0 50 FJAA CCN(c1ccccc1)c1ccc(CN[C@H](Cc2ccccc2)C(=O)O)cc1 170612737 KTAIOJCMIQVLNL-HSZRJFAPSA-N 374.484 4.630 0 50 FJAA O=C(Nc1ccc(Cl)cc1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 263639769 ICLFKKYPFGGENU-RKDXNWHRSA-N 374.712 4.935 0 50 FJAA c1ccc(-c2cc3c(Oc4ccc(-n5cncn5)cc4)ncnc3s2)cc1 301333993 BGBIHKJNIOOFBR-UHFFFAOYSA-N 371.425 4.731 0 50 FJAA Cc1nc(C)c(-c2cccc(C(=O)N(C)Cc3cc(C4CC4)on3)c2)s1 426489397 SGVONMGITUHKPX-UHFFFAOYSA-N 367.474 4.565 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H](C2(C(F)(F)F)N=N2)C1 1875321542 MJJRUTPZFYSQJI-INIZCTEOSA-N 359.351 4.540 0 50 FJAA O=C(NC(=O)c1cccc2ccccc12)Nc1ccc(Br)cc1 625525 LADMKBUIUIQZCC-UHFFFAOYSA-N 369.218 4.564 0 50 FJAA O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1nc2ccccc2s1 794679 GJHKVYZSTJDPHJ-UHFFFAOYSA-N 374.421 4.914 0 50 FJAA O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Cl 1078051 PVOPNVBDAAOMRT-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1Cl 1172610 GKLHVECQBPYSET-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA Cc1cc(Nc2ccc(C(=O)O)cc2)c2cccc(Br)c2n1 1272629 JIDOVIBKPTYBGJ-UHFFFAOYSA-N 357.207 4.748 0 50 FJAA CCCCN(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 4022119 IYINIJNBCAQUCX-UHFFFAOYSA-N 350.550 4.996 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1cccs1)C3 4502357 YTFDULZHMSWNCQ-HNNXBMFYSA-N 359.454 4.679 0 50 FJAA O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCCCCC1 5060054 QYOYPBBEZIJWKM-UHFFFAOYSA-N 350.673 4.865 0 50 FJAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc12 5427608 PCWZTLXZWXRKIW-UHFFFAOYSA-N 372.428 4.944 0 50 FJAA Cc1c(Cl)cccc1NC(=O)CSc1cc(-c2ccccc2)ncn1 8654785 PONVHOHYVCOZKQ-UHFFFAOYSA-N 369.877 4.836 0 50 FJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C2CCOCC2)C1 12386830 CQIIBMBQFPJHTO-LJQANCHMSA-N 365.473 4.553 0 50 FJAA COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)cc(OC)c1OC 15023753 MKYPUXHLVJDKEN-JOQOYGCGSA-N 360.475 4.920 0 50 FJAA CN(Cc1cccc(Cl)c1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767374 YXXMRJCAUNTXNU-OAQYLSRUSA-N 362.860 4.866 0 50 FJAA COc1ccc([C@@H]2C=C(c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1 100814392 CQCMXBAMLQPCPT-KRWDZBQOSA-N 373.243 4.650 0 50 FJAA aggregator Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2)c(Br)c1 170690523 DWTJCFLRTQKKAI-UHFFFAOYSA-N 361.283 4.508 0 50 FJAA O=C(O)C1CCC(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)CC1 194442943 BBXYAVNYRPHMQT-UHFFFAOYSA-N 374.387 4.538 0 50 FJAA C[S@@](=O)Cc1cccc(NC(=O)c2ccccc2NC2CCCCC2)c1 241644652 PSLUDBSNNOQJPG-AREMUKBSSA-N 370.518 4.562 0 50 FJAA COc1ccc(C2=N[C@H](c3ccccc3OC)N3[C@H]2[C@@H]3c2ccccc2)cc1 257349957 SWLHDTSFXKGONJ-YGZCJARRSA-N 370.452 4.631 0 50 FJAA CCC[C@@H](NC(=O)c1ccccc1Cc1ccc(C)cc1)c1nccn1C 299774857 JQOVXKGECYZTFT-OAQYLSRUSA-N 361.489 4.591 0 50 FJAA CCc1ccc(O[C@H](C)c2nnc(NC(=O)CCC(F)(F)F)s2)cc1 1875244879 YIHWHOLGPHXCQZ-SNVBAGLBSA-N 373.400 4.522 0 50 FJAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)C1(c2ccccc2)CCCC1 2325841577 AFZZYYXCSUSFPO-LEWJYISDSA-N 351.534 4.636 0 50 FJAA O[C@@H](c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1 1024324 GKSPPTJWUTZBKR-FQEVSTJZSA-N 373.481 4.641 0 50 FJAA COc1ccccc1CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 1163340 GJRCTZGQPYKAQC-UHFFFAOYSA-N 358.397 4.685 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1216393 JAVHZYFDLLAXPJ-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA NC1=N[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 1272999 PHFAMCRUQQSHQC-PZJWPPBQSA-N 358.466 4.708 0 50 FJAA Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 1596307 YFPSNZVANNCQGC-UHFFFAOYSA-N 351.638 4.723 0 50 FJAA in-vitro Cc1ccc(C2=N/C(=C\c3cccs3)C(=O)N2Nc2ccccc2)cc1 4826901 OCWSKBSKQSTJEH-RGEXLXHISA-N 359.454 4.714 0 50 FJAA aggregator Cc1sc2nc(S)n(Cc3cccs3)c(=O)c2c1-c1ccccc1 17075998 VHVLWJXFNOCRQV-UHFFFAOYSA-N 370.524 4.832 0 50 FJAA Cc1cccc(-c2c[nH]nc2C2CCN(CCCC(F)(F)F)CC2)c1 20535614 ACDIIMRPFJKHQT-UHFFFAOYSA-N 351.416 4.907 0 50 FJAA Cc1c(COC(C)C)cccc1NCc1nc(-c2ccc(F)c(F)c2)no1 131796254 JJGWRGQTIGTOQJ-UHFFFAOYSA-N 373.403 4.860 0 50 FJAA O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)c1cc2c(F)ccc(F)c2[nH]1 164608391 KVFFXKYOEZSYSI-UGSOOPFHSA-N 374.431 4.590 0 50 FJAA CC(C)c1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775521 PUBNTJVZXPZNDY-UHFFFAOYSA-N 371.444 4.929 0 50 FJAA c1cncc([C@H]2CCCCN2Cc2ccc(CN3CCCCC3)s2)c1 216367809 QJWQTYAPUISXMB-OAQYLSRUSA-N 355.551 4.856 0 50 FJAA O=C(N[C@H]1CCc2ccccc2C1)c1cc(N2CCCCC2)ccc1Cl 244723659 MFFZJSWXWWMQJP-SFHVURJKSA-N 368.908 4.618 0 50 FJAA C[C@@H](Cc1ccco1)n1cc(O)c(-c2nc(-c3ccccc3)cs2)c1N 409413682 QZUFHDPHVJNFBU-ZDUSSCGKSA-N 365.458 4.963 0 50 FJAA C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 480086949 BQCNHSPAWNOYGQ-DVECYGJZSA-N 357.501 4.674 0 50 FJAA CC(C)C[C@@H]1COCCN1C(=O)c1ccc(-c2cccc3cccnc23)cc1 584901159 HVCVNTYUFRIGJP-OAQYLSRUSA-N 374.484 4.789 0 50 FJAA Cc1cccc(COc2ccc([C@@H](C)NC(=O)C[C@H]3CCCCO3)cc2)c1 1352489245 GGJCZOINSYYAOO-XMSQKQJNSA-N 367.489 4.710 0 50 FJAA O=C(N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2c(O)n1 1875260418 BOLVFRXSXSGQNA-SJLPKXTDSA-N 366.848 4.660 0 50 FJAA CCCC(=O)Nc1scc(-c2ccc(OCC)cc2)c1C(=O)OCC 938577 CSLRMPHEKSURKP-UHFFFAOYSA-N 361.463 4.729 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2)c1C 1143375 PLRMNXRHAMHEMM-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12 1145565 XCHYDVNTFZXRLH-UHFFFAOYSA-N 374.392 4.813 0 50 FJAA biogenic COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2849445 SQLGYKHUSKKWDD-SNVBAGLBSA-N 373.758 4.773 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C[C@H]3CC=CCC3)C2)cc1F 12151217 UVADPZQJHLGRKV-DOTOQJQBSA-N 357.448 4.891 0 50 FJAA Cc1ncc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)[nH]1 67805442 GPNROSWXEFOUMA-UHFFFAOYSA-N 370.456 4.598 0 50 FJAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 71735517 PRZBZYLWWBYMJJ-LJQANCHMSA-N 373.500 4.870 0 50 FJAA O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](OCc2cccnc2)C1 91493074 KNPSOYIDHURJQU-NRFANRHFSA-N 372.468 4.570 0 50 FJAA CN(C)c1nc2cc(NC(=O)N3CCCCC[C@H]3c3ccco3)ccc2o1 165552518 KWLMIBUPCLXYIT-INIZCTEOSA-N 368.437 4.636 0 50 FJAA CC(C)(C)Oc1ccccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 184361786 JYMSFUMHMRRPDQ-QFIPXVFZSA-N 366.461 4.527 0 50 FJAA Cc1cc([C@@H]2CCCN(C(=O)c3cccc(N[C@@H](C)C(C)C)c3C)C2)[nH]n1 225430550 OCOINZAAQCFAOV-ZWKOTPCHSA-N 368.525 4.503 0 50 FJAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 229879588 HDYOHIPUTVLDED-SODVOOIJSA-N 361.485 4.727 0 50 FJAA CCOc1ccc(-c2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)cc1 426401634 CUIGUUMSKQZQGH-OAQYLSRUSA-N 367.489 4.784 0 50 FJAA Cc1ccc(CN(C(=O)/C=C/c2cc(CO)cs2)C2CCCC2)s1 952974699 MYZRSIGKMOFQJH-CMDGGOBGSA-N 361.532 4.595 0 50 FJAA Cc1ccccc1CCNC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C 1468072330 FIBYQJZAISAPED-UHFFFAOYSA-N 366.549 4.994 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C)c4cc(SC)ccc4n3)C[C@@H]21 1704314301 OQGZIJYDZBLQKQ-FYINFDKHSA-N 356.535 4.643 0 50 FJAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC34CCC(F)(F)CC4)cc2)c1C 2325840766 PGEQMEJBQFQNBD-QGZVFWFLSA-N 359.420 4.643 0 50 FJAA Cc1ccccc1C[C@@H](CO)CN[C@H](Cc1ccccc1C)c1ccco1 2325841920 JZCSUMFWIRHRNG-NFBKMPQASA-N 363.501 4.621 0 50 FJAA Fc1ccc(NC(=S)NCC(c2ccccc2)c2ccccc2)cc1 971830 UFEMAAJORYIZDG-UHFFFAOYSA-N 350.462 4.944 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(Br)c1 2759901 BLSJNXXLEJXQJI-NSHDSACASA-N 368.658 4.817 0 50 FJAA Cc1sc2ncn3nc(-c4ccccc4O)nc3c2c1-c1ccccc1 2790106 UTFOZHXDRPBUJW-UHFFFAOYSA-N 358.426 4.687 0 50 FJAA Cc1cccc(CSc2nnc(NC(=O)CCc3ccccc3)s2)c1 2836514 VKPDTBYZXFFJPY-UHFFFAOYSA-N 369.515 4.710 0 50 FJAA O=C(c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)N1CCCCC1 2846420 PAAQWRFVAZZCCS-UHFFFAOYSA-N 365.864 4.819 0 50 FJAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 4625949 MAIGEASMWWQIET-SFHVURJKSA-N 367.836 4.542 0 50 FJAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 4659926 WHTKNNBBCJBKBH-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1cccc(NC(=O)CSc2nc(C)c(C)n2-c2ccccc2)c1C 9927053 LDNKOIFUBKBDLO-UHFFFAOYSA-N 365.502 4.837 0 50 FJAA O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@]2(CCC[C@H]2O)C1 1704306973 ZVGZHXVMUAPCCA-IFMALSPDSA-N 366.461 4.638 0 50 FJAA Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc(Cl)cc1Cl 1430429 QUABFICXMUTXJV-UHFFFAOYSA-N 365.235 4.895 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccco2)c1 2850489 RJILSCAMGSCABR-UHFFFAOYSA-N 374.318 4.803 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1cc(C)ccc1C(C)C 4702040 YSQDEHFLCAMXCN-UHFFFAOYSA-N 358.478 4.910 0 50 FJAA Fc1ccc(-n2c(S)nnc2-c2ccc3ccccc3n2)cc1Cl 5557511 TWXMSJDHIQCCAV-UHFFFAOYSA-N 356.813 4.564 0 50 FJAA CC(C)CN1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 12206523 WFFLUVQMVCZWPG-UHFFFAOYSA-N 354.469 4.799 0 50 FJAA COc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccc(C)s2)c1 15867132 MIXCRRJACLLGSA-SFHVURJKSA-N 358.507 4.892 0 50 FJAA Fc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2c(F)cccc2F)C1 19594930 PFTLAYPVEAWDQL-HNNXBMFYSA-N 371.406 4.874 0 50 FJAA O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cc2c(F)ccc(F)c2[nH]1 164608520 KVFFXKYOEZSYSI-FZKQIMNGSA-N 374.431 4.590 0 50 FJAA Cc1cccc(-n2cc(CN(C)Cc3ccc([C@H]4CCCO4)s3)cn2)c1 215395953 KAKKSWGBMZJPOX-HXUWFJFHSA-N 367.518 4.726 0 50 FJAA C[C@H](NCc1nc(-c2ccccc2)cs1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952962798 HJEAZTGYTBAKEV-ZSVPXSECSA-N 368.546 4.620 0 50 FJAA Cc1cc(Oc2ccncc2)ccc1NC(=O)N(C)Cc1cccs1 1875338813 MTZUBIYICVYLAZ-UHFFFAOYSA-N 353.447 4.908 0 50 FJAA COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc1Br 673864 YDCIPPLPECLMBC-UHFFFAOYSA-N 363.251 4.974 0 50 FJAA O=C(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 991048 WNCNNFQOCUAMNA-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCC 994541 UJYAHTRTBSLFKW-UHFFFAOYSA-N 357.450 4.752 0 50 FJAA COc1cc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c(OC)cc1Cl 2881491 KEJNXPVRIWFLIO-LBPRGKRZSA-N 365.882 4.785 0 50 FJAA Cc1cc(C)c(OCCOCCOc2cccc3cccnc23)c(Cl)c1 4701919 LCDXWDDVMNJURC-UHFFFAOYSA-N 371.864 4.979 0 50 FJAA O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1=CCCC1 12333864 XNQDOVIIRZBMND-INIZCTEOSA-N 359.878 4.599 0 50 FJAA CCOc1ccc(-c2nc(CN3CCC(CCCOC)CC3)c(C)o2)cc1 12442347 CSOVBCKAWPHNDQ-UHFFFAOYSA-N 372.509 4.687 0 50 FJAA COc1cccc([C@@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 20601160 ZGZLQFKUXYEPIN-SFHVURJKSA-N 351.475 4.662 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(c2ccccc2Cl)CC1 55543984 QRECUOHRFPIWSV-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA Cc1ccc(NC(=O)N2CCC[C@@H](c3nccn3CC3CCC3)C2)c(C)c1 95381475 GRRUPTKIKHORFZ-LJQANCHMSA-N 366.509 4.712 0 50 FJAA Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccc(Cl)cc1)C1CC1 153679120 FEXVOMQJZDRUQW-UHFFFAOYSA-N 358.873 4.538 0 50 FJAA COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)CC(C)C 824596711 NNGNNSXTZJXHGE-UHFFFAOYSA-N 354.450 4.549 0 50 FJAA O=C(c1cncc(N[C@H](c2cccs2)C2CCCCC2)n1)N1CCCC1 1704357825 XPHGOUTWSSLOSV-IBGZPJMESA-N 370.522 4.508 0 50 FJAA C1=CC2(CCN(c3ncncc3-c3ccccc3)CC2)Oc2ccccc21 1875339105 WQKLUXPTUWBTSF-UHFFFAOYSA-N 355.441 4.588 0 50 FJAA Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccccc1 946590 KCAQYCLIUOPSIG-UHFFFAOYSA-N 356.422 4.509 0 50 FJAA CCOc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 1175512 CFHSFINXRHDMBO-UHFFFAOYSA-N 359.491 4.934 0 50 FJAA CCCCOc1ccccc1C(=O)Nc1nc2ccc(OC)cc2s1 4823439 LSDNECSXMXKMQA-UHFFFAOYSA-N 356.447 4.736 0 50 FJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 12093509 FXPHVSNMENFSCS-IBGZPJMESA-N 367.514 4.706 0 50 FJAA CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N(C)C(C)C)c2C)cn1 63871560 CSFQYQUQIXHNJJ-UHFFFAOYSA-N 364.493 4.606 0 50 FJAA 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 244874145 WVHKCBDRQIXZLC-SMYPBBOZSA-N 360.494 4.582 0 50 FJAA Cc1sc2nc([C@H]3CCO[C@@H](C)C3)nc(O)c2c1-c1ccc(F)cc1 253536902 OACIQSTYIQCMRW-GWCFXTLKSA-N 358.438 4.794 0 50 FJAA 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 253989049 GPLGAQQQNWMVMM-CQDKKVBOSA-N 356.598 4.810 0 50 FJAA CC(C)(C)c1cc(NC(=O)c2ncsc2C(F)(F)F)n(C(C)(C)C)n1 330434790 QAVQLJYXUXXFHB-UHFFFAOYSA-N 374.432 4.663 0 50 FJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@@H]1[C@H]1CCCc2ccccc21 372039732 VLCHKGGBBXCNBP-RBUKOAKNSA-N 365.477 4.977 0 50 FJAA C[C@H]1CC[C@H](C2CCCCC2)CN1C(=O)c1cccc2ccc(O)nc12 1875327759 JYGHNHAULAOOLF-YJBOKZPZSA-N 352.478 4.761 0 50 FJAA Cc1ccc(S(=O)(=O)N2CCC(C)(CC(C)C)CC2)c2ccccc12 1875357754 VPXKQFWLTLZXQC-UHFFFAOYSA-N 359.535 4.985 0 50 FJAA CC(C)(C)O[C@H]1C[C@@H](CC(=O)Nc2n[nH]c3c(Cl)cccc23)C1(C)C 2325840132 QNNZDWBWKZAAJQ-FZMZJTMJSA-N 363.889 4.775 0 50 FJAA Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 1123957 NHHOOERHQVONLG-HXUWFJFHSA-N 371.436 4.621 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 1186840 LHJKZYZAAKIKOY-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA CCOc1ccccc1OCCCOc1ccccc1Br 4701936 KUWLLDRAEBXZMX-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc2ccccc12 4840543 YBDCMJLPCDTYPH-UHFFFAOYSA-N 358.441 4.718 0 50 FJAA Cc1cc(C)cc(-n2c(S)nnc2CSCc2ccc(F)cc2)c1 6399904 YNABEIGGQMBIQN-UHFFFAOYSA-N 359.495 4.745 0 50 FJAA O=C(c1ccc(Cl)c(Cl)c1O)N1CCCC[C@H]1c1nccs1 174608890 UASANFVQQIHEAI-NSHDSACASA-N 357.262 4.523 0 50 FJAA CC1=C[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)CC(C)=CCC1 257199268 XUVXBQLHPFQADG-ACRUOGEOSA-N 358.478 4.627 0 50 FJAA biogenic CN(CC[C@H]1CCCCO1)C(=O)c1ccc(-c2cnc3ccccc3c2)cc1 426505687 HCBWJSPRMQXFIF-JOCHJYFZSA-N 374.484 4.933 0 50 FJAA COc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3c3ccccn3)c2)cn1 426641350 JBHWGSQQSOMDRN-NRFANRHFSA-N 373.456 4.520 0 50 FJAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)[C@@H](c1ccccc1)C(C)C 820709711 CFCUHJHRFHXTPD-HXUWFJFHSA-N 352.478 4.512 0 50 FJAA C[C@@H](NCc1ccc(-c2ccccn2)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952965478 SAHZHGGWQUYUHC-ORXYBWQTSA-N 362.517 4.558 0 50 FJAA O=C(Nc1ccc(F)c(O)c1F)[C@H](Cc1ccccc1)c1ccc(F)cc1 1875343482 KSKSIQCBZVEIFJ-MRXNPFEDSA-N 371.358 4.775 0 50 FJAA O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 732140 FMZHRCDWXLNTQW-UHFFFAOYSA-N 361.626 4.768 0 50 FJAA CCSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C(C)(C)C)C3 986213 YJKZHCZMJUUVGL-LLVKDONJSA-N 350.553 4.741 0 50 FJAA Cn1c(SC/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 1895710 GTFINDOETCRHGZ-JXMROGBWSA-N 368.527 4.679 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3ccccc3Cl)s2)cc1 2353700 OWLBCWSCUIMUCK-UHFFFAOYSA-N 374.853 4.723 0 50 FJAA CCN(Cc1ccsc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 14959860 SUWSUGLRDCFDDU-IBGZPJMESA-N 360.542 4.664 0 50 FJAA C[C@H](O)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 41151211 VUBFROKUEHITHK-AWEZNQCLSA-N 360.417 4.632 0 50 FJAA CN(C)Cc1cccc(CN(C)Cc2ccc([C@@H]3CCCCO3)s2)c1 97674312 UPAIEFLYOSNOTN-FQEVSTJZSA-N 358.551 4.683 0 50 FJAA C[C@]12CCC=C(CC[C@H]3CC(=O)O[C@H]3[C@@H]1OCOCC[Si](C)(C)C)C2 169833475 ZECSIKMWVXZRPF-OJAHFUOMSA-N 366.574 4.526 0 50 FJAA Cc1c(C(=O)N2CCCCCC2)c(-c2ccccc2)nn1-c1ccccc1 709621 HPNDTFJTAOSJQJ-UHFFFAOYSA-N 359.473 4.864 0 50 FJAA Clc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCC2)cc1 758759 YARYJVRFZCWIPG-UHFFFAOYSA-N 364.880 4.705 0 50 FJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 1167932 COHDIJMCUFWGKR-UHFFFAOYSA-N 359.381 4.597 0 50 FJAA CCC(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C 1180052 AUYFBFPOALKFTA-UHFFFAOYSA-N 373.865 4.680 0 50 FJAA O=C(C[C@@H]1Sc2ccccc2N=C1O)Nc1ccc(F)c(Cl)c1 1260490 DWNKBSWHKSWUQJ-AWEZNQCLSA-N 350.802 4.570 0 50 FJAA CC(C)n1c2ccccc2c2nnc(SCc3cccc(F)c3)nc21 1423927 ABBPCOKISHLWBE-UHFFFAOYSA-N 352.438 4.992 0 50 FJAA O=Cc1cc(Br)ccc1OCc1cccc(Br)c1 2558299 ZTVPULNJUGYNCF-UHFFFAOYSA-N 370.040 4.603 0 50 FJAA COc1ccc(-c2ccccc2)cc1NCc1cc(OC)c2c(c1)OCO2 4981166 SYWFRXLYJMVJAY-UHFFFAOYSA-N 363.413 4.712 0 50 FJAA Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1ccc(Cl)cc1)C2 12242759 VMTIDEKBXKZSED-UHFFFAOYSA-N 366.848 4.502 0 50 FJAA COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(OC)c1 13329927 LDASVTDITOPLRD-JTQLQIEISA-N 369.248 4.893 0 50 FJAA O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(-c2ccccc2)cc1 13331277 JDALAWMCECIZNR-UHFFFAOYSA-N 358.426 4.519 0 50 FJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2F)no1 21525330 SPOBOVXGVIXYOI-IBGZPJMESA-N 350.393 4.766 0 50 FJAA CN(Cc1cccc2cnccc12)C(=O)c1csc(Cc2ccccc2)n1 77341457 TXZAQBGUVUTTPB-UHFFFAOYSA-N 373.481 4.554 0 50 FJAA c1coc(-c2ncc(CN3CCC[C@@H]3c3nc4ccccc4s3)cn2)c1 77563966 CJUWGPUNQIEBBA-MRXNPFEDSA-N 362.458 4.683 0 50 FJAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@H]2c2c(C)noc2C)n1 97347510 VNFQJXHVGXDRAZ-FQEVSTJZSA-N 368.456 4.570 0 50 FJAA CC[C@@H]1c2ccsc2CCN1C(=O)C(C)(C)c1ccc(OC)c(OC)c1 120953572 HLWKZSMUWWIELY-MRXNPFEDSA-N 373.518 4.579 0 50 FJAA O=C(c1ncoc1-c1ccccc1Cl)N1CCCc2sccc2C1 170640902 UIKLUGZLNMZCGN-UHFFFAOYSA-N 358.850 4.645 0 50 FJAA Cc1ccc([C@@H]2CCCC[C@H]2OC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 248105055 QNKUHKHARISKGP-HFSMHLIXSA-N 363.457 4.690 0 50 FJAA O=C(Nc1nc(-c2ccccc2Cl)ns1)N1CCCC(F)(F)CC1 952852281 AIUYZVTXCMOVJC-UHFFFAOYSA-N 372.828 4.512 0 50 FJAA COc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1Cl 678712 MITJAHVVTXSDCZ-UHFFFAOYSA-N 374.651 4.981 0 50 FJAA COc1cccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)c1 825293 BMOQUMVXQCFADP-KOENEWCDSA-N 355.437 4.931 0 50 FJAA Cc1ccc(C)c(NC(=O)CSCc2ccc(Br)cc2)c1 1049653 VPBPFQSZTVKPQS-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1110874 ACSJUMYSGSMPRR-UHFFFAOYSA-N 356.702 4.600 0 50 FJAA O=C(CCc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 2850509 KXYHGHLPVRVVGI-UHFFFAOYSA-N 359.385 4.568 0 50 FJAA COc1cc(CNC2CCCC2)c(Br)cc1OC1CCCC1 2861321 OQVAJQUCTXKXMW-UHFFFAOYSA-N 368.315 4.811 0 50 FJAA CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Cl)cc3)cc12 3902768 YWEDPYGUQRFFLS-UHFFFAOYSA-N 358.777 4.791 0 50 FJAA biogenic CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 4855900 LQFGHDTWCNRILV-UHFFFAOYSA-N 358.441 4.601 0 50 FJAA COC1CCN(Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1 12835338 GZFBYBNDBUORQO-UHFFFAOYSA-N 362.473 4.928 0 50 FJAA CCOc1ccccc1-c1cc(C(=O)NCc2ccco2)c2ccccc2n1 17076232 LLELNNIJQOOUNY-UHFFFAOYSA-N 372.424 4.824 0 50 FJAA CC(C)c1cc(=O)[nH]c(-c2ccc(CN(C)[C@@H](C)c3cccs3)cc2)n1 19781673 SCQPAYRSIVMJPN-HNNXBMFYSA-N 367.518 4.815 0 50 FJAA Cc1ccc2nc(-c3cncnc3)cc(C(=O)N3CC[C@H](CC(C)C)C3)c2c1 63848663 CMEWAWCJLBZDAN-QGZVFWFLSA-N 374.488 4.508 0 50 FJAA Fc1ccc(-c2csc(N3CCC[C@H](OCc4ccccn4)C3)n2)cc1 77323379 RMRHYUBYBREOCG-SFHVURJKSA-N 369.465 4.530 0 50 FJAA Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H](c3ccccc3F)C2)s1 77436492 ISJHPBKPIADQJU-INIZCTEOSA-N 366.461 4.887 0 50 FJAA Cc1cc(C(=O)N2CCC[C@H]2c2c(C)noc2C)c2ccc(C)c(C)c2n1 77439320 OTGJXHIWACWHIY-IBGZPJMESA-N 363.461 4.742 0 50 FJAA Cc1ccc(-c2c(C)sc3nc([C@@H]4CCO[C@H](C)C4)[nH]c(=O)c23)cc1 225559734 QMNRYINLNNVNGV-IUODEOHRSA-N 354.475 4.551 0 50 FJAA FC(F)(F)c1ccc(-c2ccc(C(=S)N3CCCCC3)cc2)nc1 263639662 CJYBBNJVIMCEGA-UHFFFAOYSA-N 350.409 4.929 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 952991243 VKYPUJRLRDHLHW-KRWDZBQOSA-N 374.506 4.775 0 50 FJAA Cc1ccc(NC(=O)CN2CCCC[C@@H]2Cc2cc(F)ccc2F)cc1C 1875308008 PLUOELBSIHROJS-HXUWFJFHSA-N 372.459 4.617 0 50 FJAA COCCN(Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@H]1CCC[C@H]1C 1875355878 DDZQQSNPVUWCGX-QRWLVFNGSA-N 373.928 4.742 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 2356160212 ISTQLCCSEDKTRN-UYAOXDASSA-N 361.913 4.569 0 50 FJAA CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 642576 PQKBPHSEKWERTG-NSHDSACASA-N 361.781 4.604 0 50 FJAA biogenic,investigational O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(-c2ccccc2)cc1 909610 QDFUXQIVAGFMOZ-UHFFFAOYSA-N 367.404 4.942 0 50 FJAA CCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)Nc1ccccc1-2 1009471 KHCHKGVLHWUSEW-MRXNPFEDSA-N 370.865 4.807 0 50 FJAA COc1ccc(/C=C/C(=O)N2c3cc(OC)ccc3C(C)=CC2(C)C)cc1 1123360 MKBDOOIUFANPTD-MDWZMJQESA-N 363.457 4.946 0 50 FJAA O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccc(F)c1 1148089 WXCNRKIFKACOOF-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA O=Cc1cn(CCCOc2ccccc2)c2ccc(Br)cc12 2842806 CJQSUUWQTBEHDE-UHFFFAOYSA-N 358.235 4.685 0 50 FJAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1C1CCCC1 11821815 CAGJKLHHMLIEAC-NRFANRHFSA-N 365.477 4.610 0 50 FJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C2CCOCC2)C1 12090594 QJGNPEYLTKTDEP-IBGZPJMESA-N 367.464 4.566 0 50 FJAA CCn1c2ccccc2c2cc(CN(C)C[C@@H](O)c3ccccc3)ccc21 23280021 XETHWDUYPHMOTF-XMMPIXPASA-N 358.485 4.980 0 50 FJAA CCc1ccc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)[nH]1 95499041 WTXUMGJKXNVFFN-UHFFFAOYSA-N 358.485 4.799 0 50 FJAA CC(C)c1ccc(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)s1 185888598 RHJAQINCQUWUEA-CQSZACIVSA-N 363.454 4.821 0 50 FJAA Cc1ccccc1-c1cc(NC(=O)Nc2ncc(C(F)(F)F)s2)[nH]n1 241644295 PPTFHUJIVKRFBF-UHFFFAOYSA-N 367.356 4.504 0 50 FJAA Cc1ccc(C)n1CCCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 253395428 AKSYMKQYQSJQTL-FQEVSTJZSA-N 364.493 4.515 0 50 FJAA O=C1C[C@H](c2cccc(O)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585675 LGRRFQOZDRTGEV-LJQANCHMSA-N 368.436 4.869 0 50 FJAA biogenic Cc1ccc2sc(C(=O)N3CCC(c4c[nH]nc4C)CC3)c(C)c2c1 952845557 VVXYSWVMKKMBLB-UHFFFAOYSA-N 353.491 4.569 0 50 FJAA O=C(NCCCc1nc2ccccc2s1)c1ccc([C@@H]2CCCO2)s1 952983388 DEQIPRSEMQIZCP-AWEZNQCLSA-N 372.515 4.572 0 50 FJAA FC(F)(F)c1cccc2c1CN(c1nccc(Oc3ccccc3)n1)CC2 1458526500 MYEKPIPXHGHLRO-UHFFFAOYSA-N 371.362 4.850 0 50 FJAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(OC(F)F)cc1 654305 MPGGNAMJBSGZPT-UHFFFAOYSA-N 367.351 4.771 0 50 FJAA CCOc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 957089 BRRIQMPJDNUGIA-UHFFFAOYSA-N 359.510 4.958 0 50 FJAA CC[C@@H](C)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1 1003044 ABJOULSMPYSQCA-LLVKDONJSA-N 358.392 4.741 0 50 FJAA CC(C)Oc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)cc1 1072558 YTBXGOJFBKCNJF-QFIPXVFZSA-N 363.457 4.905 0 50 FJAA biogenic Nc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)sc2c1 1113137 GCYFGJVHKYPIOW-UHFFFAOYSA-N 365.483 4.763 0 50 FJAA Cc1cccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)c1 1180470 YZXRMBJNXMXQNI-UHFFFAOYSA-N 364.426 4.604 0 50 FJAA CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 2789274 WAYCWJWMTLDOOS-LAUBAEHRSA-N 355.478 4.737 0 50 FJAA CC1CCN(c2ccccc2NC(=O)c2ccc(Br)o2)CC1 2850520 PGQUAIGZSLCGHZ-UHFFFAOYSA-N 363.255 4.531 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 4724757 CEXRKALFKUUEGK-UHFFFAOYSA-N 365.241 4.866 0 50 FJAA CCc1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5556937 KXRCWQQJNIVXSY-UHFFFAOYSA-N 350.292 4.872 0 50 FJAA OC[C@@]1(Cc2ccccc2F)CCCN(Cc2cccc3ccccc23)C1 12711697 MQQBIQQOMXLLKM-XMMPIXPASA-N 363.476 4.796 0 50 FJAA COc1ccccc1N1CCN(CC(c2ccccc2)c2ccccc2)CC1 23281700 YVYSRQYTSUCGAJ-UHFFFAOYSA-N 372.512 4.649 0 50 FJAA CC(=O)N(C)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 44821733 AXAZDWQRWJWTCU-UHFFFAOYSA-N 358.850 4.790 0 50 FJAA O=C(CCCc1ccc(Cl)cc1)NCc1cc(-c2ccc(F)cc2)no1 77298135 BPWZLHUIOTUAAQ-UHFFFAOYSA-N 372.827 4.773 0 50 FJAA CCOc1cccc2cc([C@@H](C)NC(=O)Nc3c(C)noc3C3CC3)oc12 129253631 DBRQQPWQSWGUNL-LLVKDONJSA-N 369.421 4.888 0 50 FJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1nc2ccc(Cl)cn2c1F 216381333 ONDSXZXSXKFBDQ-OAHLLOKOSA-N 374.847 4.525 0 50 FJAA Cc1cc(=O)c(-c2noc(/C=C/[C@]3(C)CC[C@H](C)C3(C)C)n2)c2n1CCC2 333854830 OHWVULYMJWRDKJ-JTGMDOEWSA-N 367.493 4.629 0 50 FJAA Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c(C)c1 334163305 NZORQDUKVSOBRJ-YVLHZVERSA-N 356.422 4.548 0 50 FJAA Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)C(C)C)c(Cl)c3)CC2)cc1 952866822 FIHMRNQYAGNLAK-UHFFFAOYSA-N 370.880 4.913 0 50 FJAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCc1cccc(Br)c1 937223 HLESOSRNWJPNSY-LLVKDONJSA-N 369.642 4.613 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1C 1180951 GRHQAMXGXVRXBF-UHFFFAOYSA-N 363.288 4.573 0 50 FJAA O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@@H]1CCCCN1 1729525 VKLJPGAHSLIQKH-FPOVZHCZSA-N 352.865 4.731 0 50 FJAA in-vitro CCCCC(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1OC 2818550 QLVVQQZNCJUCAC-UHFFFAOYSA-N 374.868 4.659 0 50 FJAA Cc1sc(NC(=O)CCC2CCCC2)c(C(N)=O)c1-c1ccccc1 6690896 FJNAYLSYDVOICP-UHFFFAOYSA-N 356.491 4.731 0 50 FJAA Cc1nc(SCC(=O)Nc2ccccc2Cl)cc(-c2ccccc2)n1 8654783 XGTKICDJQNUEBC-UHFFFAOYSA-N 369.877 4.836 0 50 FJAA Cc1ccc2oc(C(=O)N3CCC[C@H](C(=O)c4cccs4)C3)c(C)c2c1 11816913 MUIWPSQCIHWPMO-HNNXBMFYSA-N 367.470 4.846 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(Cc2cccc(Cl)c2)CC1 19360134 LONPKDJDTRWTFC-UHFFFAOYSA-N 368.830 4.677 0 50 FJAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1C(F)(F)F 46501509 DNLKICBXSXJGKV-OAHLLOKOSA-N 365.351 4.516 0 50 FJAA Fc1ccccc1N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 55543496 BJSGKMZJJQLRKR-UHFFFAOYSA-N 362.448 4.940 0 50 FJAA CC[C@@](O)(c1cccc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 71769309 OKARETPOLGJSFX-VQTJNVASSA-N 363.423 4.825 0 50 FJAA Cc1ccc2c(C)c(C(=O)N(C)Cc3cc(-c4ccccc4)on3)oc2c1 91746009 YCKGCYCDHXJDGS-UHFFFAOYSA-N 360.413 4.977 0 50 FJAA C[C@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl 170623434 RVMBQMFUNIBPPN-MCMMXHMISA-N 356.318 4.794 0 50 FJAA O=C(c1ccc(-c2cncnc2)cc1)N(Cc1ccccc1)CC1CCC1 426621590 IMVKNFKGTPKRQW-UHFFFAOYSA-N 357.457 4.586 0 50 FJAA Cc1ccc(-n2cc(CN3CCCC[C@H]3c3cc4ccccc4[nH]3)nn2)cc1 1875317829 JZPOBMGQSPBMNW-QHCPKHFHSA-N 371.488 4.784 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCc2ccccc21 663222 HQEVXVLCNBHJLL-UHFFFAOYSA-N 352.821 4.896 0 50 FJAA O=C(COc1ccc2ccccc2c1Br)Nc1ccc(F)cc1 671139 DTONQHXRCBJBRJ-UHFFFAOYSA-N 374.209 4.759 0 50 FJAA O=S(=O)(Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl 1142705 SDHLBVQQNWPWPR-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA CCc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 1171690 SCWJAAXSNLDDFL-UHFFFAOYSA-N 368.658 4.682 0 50 FJAA CC1=C[C@H](C)[C@@H](CN(CCCN(C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 2294667 BTSDULYOJUKWAH-IRFCIJBXSA-N 357.542 4.711 0 50 FJAA O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccco1 2669390 YZZKYPPYWGMPLB-UHFFFAOYSA-N 353.230 4.886 0 50 FJAA CCOc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 3326234 XKGAXKITLXFPDT-UHFFFAOYSA-N 366.417 4.521 0 50 FJAA CC(C)(C)C(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 4555098 JKAWTSSDMTZPNQ-UHFFFAOYSA-N 374.238 4.637 0 50 FJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(CC(C)C)C2)cc1 11932788 BFNCJFCJEVWVBC-IBGZPJMESA-N 366.505 4.669 0 50 FJAA O=C(O)c1cccc(-c2ccc(CNCCc3ccc(Cl)cc3)o2)c1 13690140 XBYHKGZMGKNZDE-UHFFFAOYSA-N 355.821 4.631 0 50 FJAA COc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1OC 15867006 BFEWUKDOPWAYMJ-HNNXBMFYSA-N 360.479 4.915 0 50 FJAA CCC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 17248265 NNOKAQLDJVYFPT-UHFFFAOYSA-N 361.449 4.929 0 50 FJAA Cc1ccc(SCCCN(C)C(=O)c2cc(-c3ccccc3)on2)cc1 77407455 CZWMBDIGPCCEFO-UHFFFAOYSA-N 366.486 4.904 0 50 FJAA Cc1nc(S[C@H](C)c2ncc(C(C)(C)C)o2)n(C[C@H]2CCCO2)c1C 170650873 YQEMQQFXPZQPKI-HUUCEWRRSA-N 363.527 4.818 0 50 FJAA COCCC[C@@H]1CCCCN1C(=O)CCc1ccc(-c2cccs2)o1 222879920 VAQOQBODRJDCTC-INIZCTEOSA-N 361.507 4.748 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 239235446 VZWRHZPWLPDJSL-GMAHTHKFSA-N 356.425 4.938 0 50 FJAA CC(C)(C)O[C@@H]1C[C@@H](CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1(C)C 1875404954 FQJWQHPPFNGNQC-IXFSTUDKSA-N 357.538 4.700 0 50 FJAA Fc1ccc([C@H]2C[C@H](N[C@@H](c3ccc(Cl)cc3)c3cn[nH]c3)C2)c(F)c1 2325828130 ZQISAIFNXIHGRM-ROOHIHILSA-N 373.834 4.967 0 50 FJAA C[C@H]1CCC[C@H](C)N1C(=O)COc1cc(Cl)c(Cl)cc1Cl 1115611 DYMCAIOHJYVQGI-UWVGGRQHSA-N 350.673 4.815 0 50 FJAA COc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1134759 PMEIRPXHWHUPOZ-HXUWFJFHSA-N 371.436 4.513 0 50 FJAA Cc1cc(Br)ccc1NC1CCN(Cc2ccccc2)CC1 2770120 OPNAPQHULLWJGU-UHFFFAOYSA-N 359.311 4.834 0 50 FJAA COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1Cl 2887794 SCYYJWRIFSVBIQ-UHFFFAOYSA-N 353.871 4.581 0 50 FJAA Cc1cc(C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 2970202 NPJMENMUPFCXNB-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA Cc1c(C2c3ccccc3Oc3ccccc32)c(=O)n(C)n1-c1ccccc1 4159007 SLMQPVBMTCEVMA-UHFFFAOYSA-N 368.436 4.770 0 50 FJAA Cc1ccc(CNC(=O)c2cccnc2-c2nc3ccccc3s2)cc1 5426483 CKWKUMFYPAMJKW-UHFFFAOYSA-N 359.454 4.597 0 50 FJAA CC(C)c1ccc(CN2CCOc3c(O)cc(-c4ccccn4)cc3C2)cc1 15000329 KYJCACMGACPOMI-UHFFFAOYSA-N 374.484 4.972 0 50 FJAA COc1ccc2c(c1)sc1nc(-c3cccc(Br)c3)cn12 22034828 PVGNFCCKKJBMCQ-UHFFFAOYSA-N 359.248 4.987 0 50 FJAA Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2ncc(-c3ccccc3Cl)c2n1 23114953 GNBDHOVYHHUXLM-KBPBESRZSA-N 354.885 4.840 0 50 FJAA CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1ccc(NC(C)=O)cc1 65419045 BIBOFAFUKROPSP-FQEVSTJZSA-N 363.461 4.773 0 50 FJAA CC(C)(C)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67790749 PNMUHHOZSSYRNC-UHFFFAOYSA-N 352.356 4.555 0 50 FJAA Cc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc1 239302858 FRSWBIPUVISLPB-QZNHQXDQSA-N 367.920 5.750 0 50 FJAA CC[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@H]21 239425804 VHGFKDSDGGXKQI-AQKHVRLOSA-N 350.502 5.772 0 50 FJAA CC(C)c1nc(-c2nccn2[C@@H]2CCC[C@H]2OCc2ccccc2)co1 1857703106 IYGHYXVBDBHFSH-RTBURBONSA-N 351.450 4.972 0 50 FJAA 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 1857795497 KHEZIAQMLFFOSK-FKCGICJNSA-N 358.522 4.942 0 50 FJAA CSc1nc(NCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 1068207 VJIUYYFQURZTKW-UHFFFAOYSA-N 371.531 4.877 0 50 FJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1 1212351 BNVMMAAJZWZLHS-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)c2c(C)cc(=O)oc2c1 4827510 PZZYCLNCAWLMHQ-UHFFFAOYSA-N 363.196 4.936 0 50 FJAA CCc1ccccc1-n1c(S)nnc1CSCc1ccccc1C 6395314 ILBKBZDWEPZOQW-UHFFFAOYSA-N 355.532 4.860 0 50 FJAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@H]1c1nccs1 12594021 JSGLPQPUQCAJGX-INIZCTEOSA-N 361.417 4.722 0 50 FJAA C=C[C@](C)(C[C@@H](OCOC)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C(=O)CC 43762531 XPNSIXPLFJYLIN-LDQIIQMXSA-N 362.510 4.633 0 50 FJAA CC(=O)Nc1ccc(CN(Cc2ccncc2)Cc2ccc(C)s2)cc1 55253873 TZGKGZKMYQQDMB-UHFFFAOYSA-N 365.502 4.612 0 50 FJAA Cc1oc(-c2ccccc2Cl)nc1Cn1ccnc1-c1ccccn1 67435228 TVGWQVYCSXQAFA-UHFFFAOYSA-N 350.809 4.610 0 50 FJAA Cc1c(-c2c(-c3ccccc3)ncn2CC[C@@H](C)O)[nH]c2ccc(F)cc12 67956302 ZSIKQASQEUTRHM-CQSZACIVSA-N 363.436 4.917 0 50 FJAA Cc1cc(CNC(=O)c2ccncc2)c2[nH]c(-c3ccccc3)c(C)c2c1 71759652 AECCXRJYVUZOIU-UHFFFAOYSA-N 355.441 4.777 0 50 FJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc3cc(C)oc23)C1 95365298 SEBSNZPYBUNJRZ-SFHVURJKSA-N 365.477 4.758 0 50 FJAA C[C@H](O)CCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21 95726645 ALUOSHHIHVCMCU-HNNXBMFYSA-N 355.865 4.881 0 50 FJAA in-vitro COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(N2CCCCC2)cc1 216041125 JJZCFSOQOSMUQT-NRFANRHFSA-N 364.489 4.663 0 50 FJAA 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@]12C 257349653 PWDNBUZSKOZXCR-BORBJQMLSA-N 362.554 4.815 0 50 FJAA 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 498049499 YGKSWRFCMZRVMU-RBFKZVKLSA-N 374.521 4.624 0 50 FJAA Cc1c(CN[C@H]2C[C@H](OC(C)(C)C)C23CCOCC3)ccc2ccccc12 1875344037 CCFAHWMYXRQYTD-VXKWHMMOSA-N 367.533 4.991 0 50 FJAA CC[C@H](C(=O)N(C)c1nnc(-c2ccc(C)cc2)s1)c1ccccc1 792831 VTMKXAOOXDMSKY-KRWDZBQOSA-N 351.475 4.670 0 50 FJAA COc1ccccc1-c1coc2cc(OC(=O)c3ccccc3)ccc2c1=O 934285 NNXBWAKAFZSHQO-UHFFFAOYSA-N 372.376 4.688 0 50 FJAA biogenic COc1ccccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1110062 UDNKBAFMHCEQNV-UHFFFAOYSA-N 371.396 4.665 0 50 FJAA COc1cc(C(=S)NC2CCCCC2)ccc1OCc1ccccc1 1121564 FZIOSABJVGTCBP-UHFFFAOYSA-N 355.503 4.872 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(CSc3ccccc3)s2)cc1 2331786 GTZPDQLKGUNZQG-UHFFFAOYSA-N 356.476 4.783 0 50 FJAA Cc1ccccc1Cn1ccc(NC(=S)Nc2cccc(Cl)c2)n1 8571201 UALYXKFOKKMPDO-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA O=C(CC1=CCCCC1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 12298137 UXLKTBRVFQDVKH-XMMPIXPASA-N 371.484 4.928 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)no2)cc1 36620396 XPRUDHGJFKZYNG-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2ccccc2NC(C)C)cc1Cl 55270462 BUUCFLLNXMQCTA-UHFFFAOYSA-N 359.857 4.761 0 50 FJAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)OCO2 65454527 HFAYLGFCJAWVRY-HNNXBMFYSA-N 366.486 4.621 0 50 FJAA CSc1ccc2c(C)cc(N3CCC[C@@H](Cn4ccnc4C)C3)nc2c1 77285644 MOPCQMJGQDHYNM-KRWDZBQOSA-N 366.534 4.687 0 50 FJAA O=C(Nc1nnc(C2CCCCC2)s1)C1(c2ccc(F)cc2)CCC1 829073232 YNILXHAMPUKVMO-UHFFFAOYSA-N 359.470 4.785 0 50 FJAA CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@@H](C)C2 946955 NZPLEADDWSVUKC-CQSZACIVSA-N 371.502 4.621 0 50 FJAA O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1c1cccc(Cl)c1 1131590 KRHDNUYCOOTFSB-SFQUDFHCSA-N 364.788 4.697 0 50 FJAA COc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 1306075 AQJPIVTYKDCBDE-UHFFFAOYSA-N 360.826 4.511 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 4505949 MWJHGJHJUWLAEP-UHFFFAOYSA-N 368.477 4.740 0 50 FJAA CCOc1ccc(NC(=S)Nc2ccc(C)cc2OC(F)F)cc1 4999235 HPFVVOXTMAUCPN-UHFFFAOYSA-N 352.406 4.804 0 50 FJAA Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@@H]2c1ccccn1 9423827 TUJKICVHWBJUOW-LJQANCHMSA-N 354.413 4.960 0 50 FJAA COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCCC2)cc1 10363569 JGIXOUKEYQRBIP-UHFFFAOYSA-N 358.869 4.587 0 50 FJAA Cc1sc(-c2ccccc2F)nc1C(=O)Nc1ccc2[nH]ccc2c1 11691886 NENSMZAOUJEGPG-UHFFFAOYSA-N 351.406 4.991 0 50 FJAA COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 19762350 ROJFBIIHZXHUMJ-UHFFFAOYSA-N 372.468 4.506 0 50 FJAA CCCCN(CC)C(=O)c1c(C)c(-c2cncnc2)nc2ccc(C)cc12 63884810 ICYXNLJFKXNOQN-UHFFFAOYSA-N 362.477 4.571 0 50 FJAA COC[C@H]1CCN(Cc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)C1 72431027 ZHXYFHYZEXZOAS-KRWDZBQOSA-N 364.464 4.818 0 50 FJAA Cc1c(NC(=O)CCc2nc(C3CCCC3)no2)sc2c1CCCC2 120642461 QHRLWGGLKPUXOQ-UHFFFAOYSA-N 359.495 4.547 0 50 FJAA Cc1c(CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)oc2ccccc12 170627092 VXCAEPGOUAMJCT-UHFFFAOYSA-N 351.450 4.500 0 50 FJAA CCOc1ccc(-c2ccc(CN3CCC(c4ccncn4)CC3)o2)cc1 215726403 FZPKTXATOMUXSU-UHFFFAOYSA-N 363.461 4.515 0 50 FJAA Cc1nccn1Cc1ccccc1NC(=O)c1[nH]c2ccccc2c1Cl 828132211 ZVXUUEVNDGLFGF-UHFFFAOYSA-N 364.836 4.627 0 50 FJAA O=C(CC[C@@H]1CC1(Cl)Cl)OCc1cncc(-c2ccsc2)c1 851051135 YGLWWBDFUCOHLD-CQSZACIVSA-N 356.274 4.827 0 50 FJAA CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CCCC34CCOCC4)sc2C1 1875357822 YCCPHUXKEVWOPC-HUUCEWRRSA-N 362.539 4.584 0 50 FJAA CN(C(=O)c1cnc(-c2ccoc2)s1)[C@H](c1ccc(F)cc1)C1CC1 2325735063 ZIKFELUBWNKELZ-KRWDZBQOSA-N 356.422 4.766 0 50 FJAA CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CC[C@H](C)C2 643669 GYWANFDTCMPAFN-LBPRGKRZSA-N 359.447 4.661 0 50 FJAA c1ccc(Cc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 1050964 ITHATRVLMNFCQD-UHFFFAOYSA-N 366.468 4.750 0 50 FJAA CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(C(C)C)cc1 1108726 WMFKZXGUKDYMSN-UHFFFAOYSA-N 354.450 4.566 0 50 FJAA OCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1146747 MLFRQQCIKZPQPR-UHFFFAOYSA-N 362.050 4.827 0 50 FJAA O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cl)cc1Cl 2798383 RFYJRUZIOZPVIH-UHFFFAOYSA-N 364.207 4.630 0 50 FJAA Cc1c(Br)ccc(NC(=O)CSCc2ccccc2)c1C 2857573 VOYXBIUVZALZPJ-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA Cc1cccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3)n2)c1 2884494 RNOPPLIYGWVSJV-UHFFFAOYSA-N 355.825 4.660 0 50 FJAA COc1cccc(CCC(=O)Nc2cccc(Br)c2)c1Cl 4542829 QQWLPWOETMUGRB-UHFFFAOYSA-N 368.658 4.682 0 50 FJAA CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 4853983 AFAJVVVXBCSGPU-INIZCTEOSA-N 357.251 4.729 0 50 FJAA Cc1cc(OCc2cc(C(=O)N3CCCCCC3)no2)cc(C)c1Cl 12459820 XBOLVMCYOWDKMP-UHFFFAOYSA-N 362.857 4.540 0 50 FJAA O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(Br)c1 13325246 RBMVXLHDIUUIHQ-UHFFFAOYSA-N 374.282 4.689 0 50 FJAA CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C)c(C)c1 44856502 ZVRMCQWATNHWSF-HSZRJFAPSA-N 364.533 4.783 0 50 FJAA Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)CCc2cccnc2)c1 55109333 ITEGKTQBOLLWMZ-UHFFFAOYSA-N 373.456 4.522 0 50 FJAA COc1cccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 55291855 VLVZXCHZGIHFQS-UHFFFAOYSA-N 358.485 4.684 0 50 FJAA CN(CCCOc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)on1 77504049 KZRSNZCJCPUODI-UHFFFAOYSA-N 370.836 4.536 0 50 FJAA COc1cc(Cl)c(CN(C)[C@@H](C)c2nc(C)sc2C)cc1OC 215810636 QSYZCFWACWVKEG-JTQLQIEISA-N 354.903 4.624 0 50 FJAA CC(C)N(C)c1ccccc1NC(=O)Cc1coc(-c2ccc(F)cc2)n1 408516007 BEUUTXGOZRLJQZ-UHFFFAOYSA-N 367.424 4.507 0 50 FJAA CC(C)COc1ccc(C(C)(C)NC(=O)c2c(O)cccc2Cl)cc1 1443633243 SMSVPMSXFPNBJY-UHFFFAOYSA-N 361.869 4.746 0 50 FJAA CC(=O)Oc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 829493 DCXBWVDZBXMWCN-UHFFFAOYSA-N 372.380 4.672 0 50 FJAA CCOC(=O)[C@@H](CC)Sc1ncnc2sc(-c3ccccc3)cc12 955536 ABMRCYJPHDCJEQ-CQSZACIVSA-N 358.488 4.792 0 50 FJAA COc1cccc(-n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c1 1122288 ZRGQBIFBXTWQSE-UHFFFAOYSA-N 368.845 4.776 0 50 FJAA COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1 1165528 LSJJTFOBTBKNPK-UHFFFAOYSA-N 371.389 4.513 0 50 FJAA C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1426703 UNCXONLHAFMEHP-GOSISDBHSA-N 372.468 4.690 0 50 FJAA aggregator Cc1cc2c(=O)n(Cc3ccco3)c(SCc3ccccc3)nc2s1 2879305 ZTLSPIMHRHITGN-UHFFFAOYSA-N 368.483 4.700 0 50 FJAA CCCc1c(C)nc2ccc(Br)cc2c1SCCC(=O)O 4834537 SLXZCZNKMYFSDP-UHFFFAOYSA-N 368.296 4.825 0 50 FJAA C[C@H]1[C@H]2CCCN2CCN1Cc1cccc(Oc2ccc(Cl)cc2)c1 19771294 LANXFHNBSBOPCN-HRAATJIYSA-N 356.897 4.801 0 50 FJAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H]1c1ccc(Cl)cc1 21525312 YFDOWQUNAGZWTQ-GOSISDBHSA-N 352.821 4.972 0 50 FJAA COc1ccc(C(=O)[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 71770271 YSOBXGPXNAQWAJ-JOCHJYFZSA-N 374.436 4.943 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCCC[C@H]3c3cc(C)on3)c2c1 77554156 VVBWCNUEXZVXGY-NRFANRHFSA-N 363.461 4.769 0 50 FJAA Cc1oc(-c2cccs2)nc1-c1nccn1[C@H]1COC2(CCCC2)C1 82162246 QUJFUAIESQOKBE-CQSZACIVSA-N 355.463 4.849 0 50 FJAA O=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@H](N2CCCCC2)C1 95517832 DDNXLPPNEBFNTJ-HNNXBMFYSA-N 357.885 4.585 0 50 FJAA CC(C)c1ccc(N[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 100936543 XGUYFJYPWUCQIW-FQEVSTJZSA-N 350.462 4.677 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3nc2O)c(C)c1 225848159 OOSASCSESBPANY-UHFFFAOYSA-N 369.424 4.872 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1C 239338594 KUKBSHVJLPOOSH-LVNJIZSUSA-N 361.441 4.631 0 50 FJAA CCCC[C@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 239415437 UMCNJIUBQBUBJQ-WGMWDUQUSA-N 366.505 4.548 0 50 FJAA COCC1(NC(=O)Nc2ccccc2Oc2ccccc2OC)CCCC1 299788333 QPWKJEQMYIQVPO-UHFFFAOYSA-N 370.449 4.568 0 50 FJAA CCCN(Cc1ccsc1)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 584893768 KUJNOZCBXKYNLI-ZDUSSCGKSA-N 350.459 4.579 0 50 FJAA Cc1sc(NC(=O)[C@H]2CCCO2)nc1-c1ccc(Cl)cc1Cl 1940193576 CSQMPSNGHQFJGD-GFCCVEGCSA-N 357.262 4.543 0 50 FJAA Cc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c(C)c1 958163 BLRLQKMAUKDSOG-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)c1ccccc1 993956 WCMIWQBDVFTJTO-ZFWWWQNUSA-N 371.502 4.792 0 50 FJAA O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1Nc1ccccc1 1052870 MMKYLJAUJCMAPP-UHFFFAOYSA-N 366.398 4.511 0 50 FJAA aggregator O=C(c1cccc(Cl)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1115350 NFOQYKMOLTUJFQ-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1218436 CVACXXNGNKYVRE-UHFFFAOYSA-N 359.050 4.686 0 50 FJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)cc1 4005934 IEZMHFYKBDMXFU-QHCPKHFHSA-N 355.481 4.926 0 50 FJAA CCN(CC)c1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=N)oc2c1 6517593 ROQXZXOSXHCWNC-UHFFFAOYSA-N 363.461 4.628 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccccc1)C3 9698366 ZMFDKGQHQKLZGW-QGZVFWFLSA-N 371.415 4.757 0 50 FJAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)[C@@H](C)c1ccon1 12443245 JUCXZELPUKEBNM-NSHDSACASA-N 365.355 4.850 0 50 FJAA Cc1ccc(-c2nc(CN3CCN(c4ccc(Cl)cc4)CC3)c(C)o2)o1 20256405 KTPYZUNWJPDIFK-UHFFFAOYSA-N 371.868 4.527 0 50 FJAA Cc1cc2c(NC(=O)NCCCSC3CCCCC3)cccc2nn1 95521317 MVUSODLQQZWLOB-UHFFFAOYSA-N 358.511 4.516 0 50 FJAA O=C(Nc1ccc(O)cc1OC(F)(F)F)c1cc2cc(Cl)ccc2o1 170617780 ZHRDIYSAXSHAAX-UHFFFAOYSA-N 371.698 4.943 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)Nc2ccc3nc(C)sc3c2)c(C)s1 299777578 QQIBHXDUXSEFPW-VIFPVBQESA-N 360.508 4.903 0 50 FJAA O=C(N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1cnc(O)c2ccccc12 1875341032 CXUFEVPQYGGZNT-WBVHZDCISA-N 364.420 4.536 0 50 FJAA CCCC(=O)Nc1ccccc1NC(=O)c1c(Cl)cccc1Cl 1127620 XHWLPQVRPOBVLV-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA CCCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 2920577 NRGFGTHISKGSFC-INIZCTEOSA-N 354.435 4.527 0 50 FJAA Cc1cccc(CSCCNC(=O)CSc2ccc(Cl)cc2)c1 2989020 IMLPQBDARRKRSD-UHFFFAOYSA-N 365.951 4.790 0 50 FJAA CCOC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 4990198 JPSXRMCIHYDRCI-KRWDZBQOSA-N 373.880 4.907 0 50 FJAA O=C(C[C@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 5633778 NUIKPFYSXNMSBI-HNNXBMFYSA-N 355.242 4.812 0 50 FJAA Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)nc1 6401169 YSFJHTYFQDAODC-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA CCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1 6659275 CIIRTCYWMNHNRZ-FQEVSTJZSA-N 361.445 4.669 0 50 FJAA CC(C)(C)CN(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 11665239 JJGYTWFBKMUJGS-NRFANRHFSA-N 357.586 4.974 0 50 FJAA Cc1ccc(CN2CCC(CN(C)Cc3nc(C(C)C)cs3)CC2)o1 11817513 HDXATWMJUYDYKB-UHFFFAOYSA-N 361.555 4.512 0 50 FJAA O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1cccc2[nH]ccc12 12652643 HWCWFBOPMHJJNG-UHFFFAOYSA-N 356.429 4.797 0 50 FJAA C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCCc4ccccc4)c(=O)c23)C1 17076002 YNHHHCMWVYMTEN-CYBMUJFWSA-N 370.543 4.878 0 50 FJAA Cc1ccc(O)c(NC(=S)Nc2ccc(Br)cc2Cl)c1 17076151 DPOFOSNWUMISGX-UHFFFAOYSA-N 371.687 4.925 0 50 FJAA COc1ccc(CN(Cc2ccsc2)Cc2ccco2)c(Cl)c1O 55225429 NBUZIRODNGNPGT-UHFFFAOYSA-N 363.866 4.911 0 50 FJAA CCOc1ccccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101357901 CCOHANUUULRBTI-QHCPKHFHSA-N 372.468 4.611 0 50 FJAA Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)c2ccco2)s1 170619971 UWXJGJWKSUIDAM-MRXNPFEDSA-N 354.406 4.780 0 50 FJAA COc1ccc([C@H](NCc2ccc3ccoc3c2)C2CCOCC2)cc1 2325731516 LIXIMVQGWZXPDN-QFIPXVFZSA-N 351.446 4.699 0 50 FJAA COc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)cc1 624168 FEYNKSIRZIBLRL-UHFFFAOYSA-N 374.465 4.902 0 50 FJAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccs1 673335 YVOQEHAHVGDLNG-UHFFFAOYSA-N 357.456 4.824 0 50 FJAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 759461 RJCILOMNLKIOCX-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 952266 YBURBKQKSHMQAM-UHFFFAOYSA-N 363.800 4.720 0 50 FJAA O=C(NC1CCCC1)c1cc(-c2cccnc2)nc2c(Cl)cccc12 1073370 HFXJUZSAGCRJQK-UHFFFAOYSA-N 351.837 4.623 0 50 FJAA Cc1ccc(C)c(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 1079380 XOQSOLOQWYUPOY-UHFFFAOYSA-N 358.290 4.576 0 50 FJAA O=C(OC(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O 1136802 FCAPSGSJJMOVMX-UHFFFAOYSA-N 356.377 4.739 0 50 FJAA CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](c1ccccc1)S3 1179978 GTNCEBSPJCHISY-FDDCHVKYSA-N 374.509 4.981 0 50 FJAA Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 1183232 ZMHXVUACWIUFAJ-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA O=C(NC1CCCCC1)c1ccc(OCCCCOc2ccccc2)cc1 1791540 HVOMMXWCEUIESP-UHFFFAOYSA-N 367.489 4.987 0 50 FJAA CC1=C[C@H](C)[C@H](CN(CCCN(C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 4670474 BTSDULYOJUKWAH-ZJOUEHCJSA-N 357.542 4.711 0 50 FJAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)CCc1ccccc1 16382162 VOLQUORQMIKWRZ-HDICACEKSA-N 364.489 4.661 0 50 FJAA Cc1cc(C)c(NC(=O)/C=C\C(=O)Nc2c(C)cc(C)cc2C)c(C)c1 33340790 LNYYXROMJCIPIV-FPLPWBNLSA-N 350.462 4.671 0 50 FJAA O=C(Nc1nc(C(F)(F)F)co1)C1c2ccccc2Oc2ccccc21 38543549 GSGDLBUOSWGZER-UHFFFAOYSA-N 360.291 4.570 0 50 FJAA in-vitro CCCCc1nc(Cl)c(C=O)n1Cc1ccc(Br)cc1 65734951 DCAOUKIOMHLRBI-UHFFFAOYSA-N 355.663 4.502 0 50 FJAA in-vitro c1ccc(-c2ncn([C@@H]3CCOC3)c2-c2c[nH]nc2C2CCCCC2)cc1 67935449 RYVREMMSTFYTPN-GOSISDBHSA-N 362.477 4.949 0 50 FJAA COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc4cc(OC)ccc34)C2)cc1 253426153 FVVNJDQZLJZDEN-QHCPKHFHSA-N 374.440 4.555 0 50 FJAA Cc1nc2cc(NC(=O)N[C@H](c3ncccc3C)C3CC3)ccc2s1 299783131 GUVLKUFRIQQENF-SFHVURJKSA-N 352.463 4.581 0 50 FJAA CCN(C(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 676698 CPNYOHOTIVMPKM-UHFFFAOYSA-N 360.482 4.895 0 50 FJAA CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 727172 GNSFXDZFRYSSFA-UHFFFAOYSA-N 374.506 4.734 0 50 FJAA COc1cc(OC)c(CN2CCC[C@@H]3CCCC[C@@H]32)cc1Br 757293 HTDDXJUOHOGXSM-BBRMVZONSA-N 368.315 4.621 0 50 FJAA O=C(CCC1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1117289 XKQKXHJTZDIRPK-UHFFFAOYSA-N 368.443 4.715 0 50 FJAA CCc1cc(=O)oc2cc(OCc3ccccc3Br)ccc12 1153600 FXFBPRNQLDOSAS-UHFFFAOYSA-N 359.219 4.697 0 50 FJAA CCc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)s1 1173904 NYDMZNJGFPDQCR-UHFFFAOYSA-N 368.245 4.920 0 50 FJAA Cc1cc(-c2noc(COc3ccc(Cl)cc3)n2)c2ccccc2n1 1423720 NWXVVLVFKKTNPO-UHFFFAOYSA-N 351.793 4.826 0 50 FJAA Cc1cc(OCn2ccc(C(=O)Nc3cc(F)ccc3C)n2)ccc1Cl 2796510 SLUDGGXVXDWXDE-UHFFFAOYSA-N 373.815 4.581 0 50 FJAA CCOc1ccc(-c2cnc(-c3ccccc3)c(SCC(C)=O)n2)cc1 5673655 MAIRWYFEDCAMPD-UHFFFAOYSA-N 364.470 4.890 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 12055744 RYEVZPSFLXBUNP-HNNXBMFYSA-N 372.465 4.674 0 50 FJAA CCCc1ccc2oc(C(=O)N[C@H](C)Cc3ncccc3C)c(C)c2c1 12207815 KJSVVJUCAAXQDE-OAHLLOKOSA-N 350.462 4.758 0 50 FJAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1C 12442935 RCTNKFGCXJBWIP-LJQANCHMSA-N 369.505 4.624 0 50 FJAA O=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1 13208445 HOQLQTPBSOVRJL-UHFFFAOYSA-N 353.809 4.958 0 50 FJAA O=C(c1ccc(Cl)cc1F)N1CCCC[C@@H]1CCc1cccc(O)c1 82087714 QXKABBNXJCCFCT-MRXNPFEDSA-N 361.844 4.812 0 50 FJAA CCc1oc2c(Cl)cc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)cc2c1C 96164205 IEHLUNBTOFVPCE-PURYLZLUSA-N 374.868 4.598 0 50 FJAA c1ccc(OC[C@@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6[C@H]7[C@H](CC[C@H]7[C@@H]25)[C@H]2[C@@H]5CC[C@@H]3[C@@H]5[C@@H]4[C@@H]62)cc1 257355695 CAULSJQBACQMOW-NGITVUPZSA-N 358.525 4.978 0 50 FJAA CSCC[C@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cccc1 263588582 VYWOQXMOIKRVAW-CYBMUJFWSA-N 363.533 4.606 0 50 FJAA CN(Cc1ccc(OC[C@H]2CCCNC2)cc1)Cc1cccc2ccccc12 299758882 DYXSQUDLJHJTBB-NRFANRHFSA-N 374.528 4.850 0 50 FJAA COCCN(Cc1cccc([C@H](C)N(C)C)c1)Cc1ccccc1Cl 824405457 MCLNKTKHUARJOG-KRWDZBQOSA-N 360.929 4.611 0 50 FJAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)c1ccc(Cl)cc1F 825524459 OMZVCXNNUQCWIY-MRXNPFEDSA-N 363.816 4.679 0 50 FJAA CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1 1356593327 UDTDZXJYYVZUJM-UHFFFAOYSA-N 361.401 4.569 0 50 FJAA Cc1ccc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)nc1 1875303657 HLGYKLFCBWMZPA-UHFFFAOYSA-N 351.406 4.882 0 50 FJAA O=C(Nc1cnc(F)c(Cl)c1)N1CCC[C@@H]1c1cc(F)ccc1F 2325818632 OCTHGVQJCFLLNE-CQSZACIVSA-N 355.747 4.521 0 50 FJAA CCSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C(C)(C)C)C3 986212 YJKZHCZMJUUVGL-NSHDSACASA-N 350.553 4.741 0 50 FJAA COc1ccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)cc1OC 1096043 NABMJOFMEDROCS-UHFFFAOYSA-N 374.824 4.603 0 50 FJAA O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1Cl 1100060 HMXWLHQXMAPOMF-UHFFFAOYSA-N 361.626 4.903 0 50 FJAA COc1ccc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2c1 1210341 NTDGVPSTJUIDIK-UHFFFAOYSA-N 364.426 4.719 0 50 FJAA Cc1ccc(OCn2ccc(C(=O)Nc3ccc(Cl)cc3F)n2)c(C)c1 2796551 AUWKGRVGDCHVTQ-UHFFFAOYSA-N 373.815 4.581 0 50 FJAA O=C1c2ccccc2O[P@](=O)(Oc2ccccc2)N1c1ccccc1 3172385 DTJYDDKHFGIPLH-RUZDIDTESA-N 351.298 4.913 0 50 FJAA CCOc1ccc(CN(C(=O)c2ccc([C@H]3CCCO3)s2)C2CC2)cc1 55360289 FZTIHUQBRYXLHC-GOSISDBHSA-N 371.502 4.803 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)no1 64984712 QQJOJIQELOXUNB-HNNXBMFYSA-N 351.809 4.960 0 50 FJAA c1ccc(-c2ncn(CCc3c[nH]cn3)c2-c2cnc3ccccc3c2)cc1 65488055 AHAHPGZWZGLZMY-UHFFFAOYSA-N 365.440 4.731 0 50 FJAA Cc1cc(Cl)c2oc(C(=O)N(C)Cc3noc(C4CCC4)n3)c(C)c2c1 77488805 KMBZXCIKRFCTJJ-UHFFFAOYSA-N 373.840 4.626 0 50 FJAA COc1cccc2c1N(C(=O)c1cc(Cl)nc(Cl)c1)CC[C@@H]2C 170596886 AUXGZYAYTWKKEB-JTQLQIEISA-N 351.233 4.551 0 50 FJAA O=C1C[C@H](c2cccnc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 263588258 QXIJQYDDOYHKCL-GOSISDBHSA-N 371.415 4.698 0 50 FJAA Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC12CCCCC2 372984872 VGPFGYBRHPKPCB-UHFFFAOYSA-N 371.506 4.528 0 50 FJAA Oc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1 436898379 AISIGSDPKDCEPU-UONOGXRCSA-N 362.307 4.612 0 50 FJAA C[C@@H]1C[C@@H](c2cccnc2)N(c2nc(-c3ccncc3)nc3ccccc23)C1 754088856 VRFQISMUCTWNIV-IERDGZPVSA-N 367.456 4.674 0 50 FJAA C[C@H]1CCc2nc(NC(=O)CSCc3ccc(Cl)cc3)sc2C1 1353347806 NJZYYCFDYRXHBO-NSHDSACASA-N 366.939 4.793 0 50 FJAA COCc1ccc(Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1 1472771427 YIXYVXOCSGZODE-UHFFFAOYSA-N 350.205 4.933 0 50 FJAA Cc1nc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)cs1 1875303725 KRSMOEGFIDRWHB-UHFFFAOYSA-N 357.435 4.943 0 50 FJAA C[C@H](C(=O)NCc1ccc2ccoc2c1)c1ccc(Br)cc1 2325717139 DEGIHGBFUSEICZ-LBPRGKRZSA-N 358.235 4.615 0 50 FJAA Cc1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 634647 XUMOVEBPHFGUMJ-UHFFFAOYSA-N 358.466 4.986 0 50 FJAA O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 1206318 CZJPSXUQCLRBJH-UHFFFAOYSA-N 354.749 4.699 0 50 FJAA CCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 1774300 SRIKTWDTFJTPNA-UHFFFAOYSA-N 370.449 4.914 0 50 FJAA COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 3898799 SFXYYHFNZKZXMO-NZQKXSOJSA-N 356.425 4.938 0 50 FJAA O=C(NCCOc1ccccc1-c1ccccc1)c1ccccc1Cl 4840929 XKTBRJCWGYOFPU-UHFFFAOYSA-N 351.833 4.816 0 50 FJAA COc1cccc([C@@H]2CCCN2c2nncc(-c3cccc(Cl)c3)n2)c1 12073688 IFQBMTBBNUMTMV-IBGZPJMESA-N 366.852 4.542 0 50 FJAA COc1ccc(CCNC(=O)c2oc3c(Cl)cc(C)cc3c2C)cc1 12440940 YZQLONYUUYAHGI-UHFFFAOYSA-N 357.837 4.684 0 50 FJAA CCc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(F)c(C)c1)C2 102085740 OXYUTDDYRWMMDT-BJWYYQGGSA-N 356.441 4.544 0 50 FJAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)/C=C/c3cncc(F)c3)c2)C1 170621570 IBRYFCFLFLILDR-VZRXLXHUSA-N 368.452 4.968 0 50 FJAA O=C1C[C@@H](c2cccnc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 253413951 WBIISJMHFXEBIJ-SFHVURJKSA-N 353.425 4.559 0 50 FJAA biogenic O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc2ccc(F)cc2s1 263587248 DVDOVDDVBOHITR-HNNXBMFYSA-N 371.462 4.917 0 50 FJAA O=S(=O)(c1cccc(F)c1)c1cnc2cc(Cl)c(F)cc2c1Cl 263618516 UDUMUGUGLPCZDO-UHFFFAOYSA-N 374.195 4.653 0 50 FJAA FC(F)(F)c1nc(Oc2ccc(-n3cccn3)cc2)c2ccccc2n1 737414327 HMLUTJXSXVBXSJ-UHFFFAOYSA-N 356.307 4.627 0 50 FJAA CC(C)(C)c1ccc(C(=O)CCCN2CCC[C@@]3(CCC[C@H]3O)C2)cc1 1704342509 DNWBZRYBMYLFJG-GGAORHGYSA-N 357.538 4.574 0 50 FJAA N[C@@H]1CCCc2cc(-c3nc(Cc4c(Cl)cccc4Cl)no3)ccc21 2325821955 PHJKEHWUKOGZNS-QGZVFWFLSA-N 374.271 4.970 0 50 FJAA CN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1 632255 XLKNYJHOWPSASL-UHFFFAOYSA-N 353.469 4.807 0 50 FJAA CCCc1cc2c(cc1NC(=O)c1ccc(Cl)c(Cl)c1)OCO2 643248 PTRXFKCKNBJXQZ-UHFFFAOYSA-N 352.217 4.927 0 50 FJAA CCOc1cc(CO)cc(Br)c1OCc1ccc(Cl)cc1 1112726 UPVUNGGQQLQRHX-UHFFFAOYSA-N 371.658 4.573 0 50 FJAA COc1cc(OC)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1Cl 2880248 IAYSDYKUIJSVIM-LBPRGKRZSA-N 365.882 4.785 0 50 FJAA C/C(=C\c1ccccc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 4599084 ZVOSVSHFYGMMTH-ACCUITESSA-N 369.877 4.824 0 50 FJAA COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 4952684 PLDLERFZRFFGHH-UHFFFAOYSA-N 372.421 4.527 0 50 FJAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(CCC)oc2cc1O 5904272 QNTQBMLNNGJLCT-UHFFFAOYSA-N 366.413 4.799 0 50 FJAA biogenic Cc1cc(Nc2ccncc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 7572468 GYDMDAKRJBCFOP-UHFFFAOYSA-N 369.350 4.862 0 50 FJAA Cc1nn(C)c(Cl)c1CN1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 12320902 CHTGWENLARBXAB-SFHVURJKSA-N 360.933 4.582 0 50 FJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccco2)cc1 12718851 VDHGQTFGMGQSLR-GOSISDBHSA-N 363.461 4.570 0 50 FJAA C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(OC)c(O)c(OC)c1)O2 33832503 LYZVPGMCGPXCQO-QWTYKDCCSA-N 356.418 4.688 0 50 FJAA biogenic,in-vitro CC[C@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1 63833059 LOTFLKDEVXFMFE-LJQANCHMSA-N 358.445 4.656 0 50 FJAA Cc1nc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cs1 67946672 ZLZYTSNTPHFQBO-UHFFFAOYSA-N 366.486 4.527 0 50 FJAA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc2cccc(Cl)c2n1 77393071 OHMXVHRQDSWSLY-IBGZPJMESA-N 368.912 4.838 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2c1 77489844 QDFSJBQLXWZSBP-JOCHJYFZSA-N 359.473 4.724 0 50 FJAA Cc1cc(C(=O)N(C)[C@H](C)c2nc(C)sc2C)c2ccc(F)cc2n1 82161875 VRNSHXJGLFKYCH-LLVKDONJSA-N 357.454 4.589 0 50 FJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)c(C)c2)C1 95506191 KSQDAXVRTXXJJQ-KRWDZBQOSA-N 359.901 4.665 0 50 FJAA COC[C@@H]1CCN(C(=O)Nc2ccccc2SCc2ccc(C)cc2)C1 96180379 UEEHVURMJWGZSW-GOSISDBHSA-N 370.518 4.788 0 50 FJAA O=C(Nc1cccc2cccnc12)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 170637949 YYFSKUFWTXDIAS-LSDHHAIUSA-N 372.346 4.876 0 50 FJAA CCC[C@@H]1C[C@@H]1C(=O)N(CC)CC1CCN(CCc2ccccc2C)CC1 207847090 IRSMNIUGZNMUCS-PKTZIBPZSA-N 370.581 4.534 0 50 FJAA COc1ccc(CN(C)Cc2ccc([C@H]3CCCCO3)o2)c2cccnc12 216405644 KKEQUIWOZMDUQV-LJQANCHMSA-N 366.461 4.710 0 50 FJAA CC[C@@H](NC(=O)N(Cc1ccccc1C)C1CCCCC1)c1cnn(C)c1 426432134 XCHFKSWCCKQRJX-OAQYLSRUSA-N 368.525 4.724 0 50 FJAA Cc1ccc(C)c(-n2ncc(N[C@H](c3ccccc3)c3ncc[nH]3)c2C)c1 446914918 QQCMCIMSJJWLFM-OAQYLSRUSA-N 357.461 4.722 0 50 FJAA CC1(O)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 470030949 RYJUWUGRFGSVMZ-UHFFFAOYSA-N 359.460 4.724 0 50 FJAA COc1cccc([C@@H]2CCCN2Cc2[nH]c3ccc(OC)cc3c2C)c1 670452589 RSQOLDMWFFREFS-QFIPXVFZSA-N 350.462 4.831 0 50 FJAA O=C(CCC(F)F)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 796532623 PTOZHOBKNFVXEH-CYBMUJFWSA-N 363.191 4.520 0 50 FJAA Fc1ccc([C@H]2C[C@H](N[C@H](c3ccc(Cl)cc3)c3cn[nH]c3)C2)c(F)c1 2325828131 ZQISAIFNXIHGRM-YXKFXFPPSA-N 373.834 4.967 0 50 FJAA Cc1ccccc1NC(=O)c1c(NC(=O)C(C)C)sc2c1CCCC2 727321 VBTSXANWJWBRAQ-UHFFFAOYSA-N 356.491 4.782 0 50 FJAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc2ccccc12 937863 YHIIUFACRANLRY-UHFFFAOYSA-N 353.443 4.893 0 50 FJAA COC(=O)c1ccccc1NC(=O)c1csc(C)c1-c1ccccc1 1053966 YHKSSAOHKNOACZ-UHFFFAOYSA-N 351.427 4.762 0 50 FJAA C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 1114913 CDXSUGXUADKHOA-SNVBAGLBSA-N 374.264 4.663 0 50 FJAA Cc1nc(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cs1 4821387 ZOMLDQJOBQLAHI-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA CCc1cn[nH]c1[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1 11785121 WGKYGAJTYBUSRQ-JOCHJYFZSA-N 359.517 4.984 0 50 FJAA Cc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)o1 12438649 DISRGWJLALQWOA-GOSISDBHSA-N 363.461 4.526 0 50 FJAA COc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 20451539 QKDCDAOKDPEGCJ-FQEVSTJZSA-N 361.489 4.773 0 50 FJAA COc1cc(Oc2ccc(-c3ccccc3)nn2)ccc1CN1CCCC1 67677120 PPAIKRBJQOPZNR-UHFFFAOYSA-N 361.445 4.540 0 50 FJAA Cn1cc(-c2nc3ncccc3[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 72476520 MIGNLXZJQSOFNG-UHFFFAOYSA-N 367.412 4.818 0 50 FJAA CCC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 169620727 GLTAMRONJSYAQQ-UDVXPWBQSA-N 362.256 4.641 0 50 FJAA CCOc1ccc([C@@H](C)N(C)C(=O)c2cccc(NC(=O)C(C)C)c2)cc1 823374718 DJIJUXWVLSCRPF-MRXNPFEDSA-N 368.477 4.513 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](c3ccccc3)C2)cc1F 1875307587 FGWHZLDLTKMREK-KNBMTAEXSA-N 354.469 4.587 0 50 FJAA O=C(Nc1ccc(Br)cn1)Nc1cccc(Cl)c1Cl 641824 UYMZYRBGLJRWJT-UHFFFAOYSA-N 361.026 4.795 0 50 FJAA O=C(CSC1=NCCS1)N1c2ccccc2Sc2ccccc21 852676 LPLNCRLOTLEFPR-UHFFFAOYSA-N 358.513 4.652 0 50 FJAA O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cc2ccccc2o1 1208077 PAAGQJDSYBZCHX-UHFFFAOYSA-N 372.359 4.558 0 50 FJAA Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 2499151 SAPZUWSSGDNBFP-OAHLLOKOSA-N 355.434 4.566 0 50 FJAA O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)c1c[nH]c2ccccc12 2566578 QTVXPBLGVXFEIU-UHFFFAOYSA-N 356.381 4.782 0 50 FJAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccc(F)cc3F)c2C)cc1 13331381 MBUVGNXVFJODDG-UHFFFAOYSA-N 370.403 4.779 0 50 FJAA CC/C=C/CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67713718 WFRRDGWLEICKPS-ONEGZZNKSA-N 364.367 4.865 0 50 FJAA c1ccc2c(-c3cc(NCc4ccncc4)nc4[nH]ccc34)nccc2c1 72424788 WLOFJYYEHDKINB-UHFFFAOYSA-N 351.413 4.785 0 50 FJAA COc1cccc2ccc(N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)nc12 95515423 VUCZFHNCTYPIOO-MRXNPFEDSA-N 358.445 4.504 0 50 FJAA Cc1cc2c(NC(=O)N3CCCCC[C@H]3c3ccco3)cccc2nn1 299757071 MAVRELBBNOISII-SFHVURJKSA-N 350.422 4.680 0 50 FJAA C[C@H](c1ccc(-c2ccc(C(=O)CCC(=O)O)cc2)cc1)N1CCCC1 534588349 QHNRNXBZVZWTGC-MRXNPFEDSA-N 351.446 4.558 0 50 FJAA c1ccc(-c2nc(NCc3conc3C3CCC3)c3ccsc3n2)nc1 1875339668 STPFQURADPLECB-UHFFFAOYSA-N 363.446 4.621 0 50 FJAA CC(=O)CSc1nc(NC(=O)c2ccc(C)cc2)c(-c2ccccc2)o1 2050024755 IXVKNOOVLZIYAD-UHFFFAOYSA-N 366.442 4.583 0 50 FJAA Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CC[C@H]4CCC[C@@H]43)cc2)o1 2325745369 LJWXOVNHWQMSPP-UZLBHIALSA-N 373.456 4.727 0 50 FJAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccccc3-c3ccccc3C)C[C@H]21 2356165585 KJSOUVAFQMXXAT-ANJVHQHFSA-N 363.501 4.675 0 50 FJAA O=c1oc2cc3occ(-c4ccc5c(c4)OCO5)c3cc2c2c1CCCC2 639064 NJXPFMUHVVCBSC-UHFFFAOYSA-N 360.365 4.814 0 50 FJAA biogenic CCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 680958 YPXLEMGRJSQJEX-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)c1cccc(I)c1 822928 YDEFNZMXVDHYCX-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA O=C(C[C@H](NC(=S)Nc1ccccc1)c1ccccc1)c1ccccc1 1158484 IUZPGFXOUOTRAA-FQEVSTJZSA-N 360.482 4.987 0 50 FJAA c1ccc(COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 1226243 RFXVLSFYGBZYOT-UHFFFAOYSA-N 358.485 4.588 0 50 FJAA CC(C)OC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 1911851 KFMIIZJWYONQMK-LBPRGKRZSA-N 358.488 4.791 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc2c1CCC2 2103390 BEOIHYZFLZADAH-UHFFFAOYSA-N 357.475 4.673 0 50 FJAA O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccc(F)cc1 2860733 HRHBESLLOYCGAC-UHFFFAOYSA-N 372.399 4.650 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccc(Cl)cc1 4450432 IVLQYECMVHAOHL-JLHYYAGUSA-N 359.816 4.605 0 50 FJAA c1cncc(Cn2ccc(-c3cccc(-c4cnc5ccccc5n4)c3)n2)c1 20863816 IEQBGVRXVBHTMU-UHFFFAOYSA-N 363.424 4.604 0 50 FJAA O=C(Nc1ccc(OCc2cccs2)cc1)N[C@H]1COC2(CCCC2)C1 96166906 WBKHMVIMCVINLS-MRXNPFEDSA-N 372.490 4.550 0 50 FJAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 329401413 YBOVWNXTANFMQD-HCXYKTFWSA-N 365.477 4.617 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3CCn3cccn3)cc2)o1 825197939 WLTLLGMEYMSVQQ-HXUWFJFHSA-N 363.461 4.537 0 50 FJAA O=C(c1cccc(C(F)(F)F)c1)N1CC(Cc2ccc(Cl)cc2)C1 1445193456 OVCNGICGARMKLG-UHFFFAOYSA-N 353.771 4.674 0 50 FJAA Cc1ccc(NC2(C(=O)N(C)CCc3scnc3C)CCCCC2)cc1 1506397408 MSSPPOQAHFNRIT-UHFFFAOYSA-N 371.550 4.576 0 50 FJAA Cc1cc(F)cc(C2(F)CCN(C(=O)C[C@@H]3CCC(F)(F)C3)CC2)c1 2325703426 PZLYGGZFEHYXLA-AWEZNQCLSA-N 357.391 4.747 0 50 FJAA CN1CC[C@@H](NCc2ccc(N(C)c3ccccc3)nc2)c2ccccc21 2325747753 YENAGYDAABOUHN-OAQYLSRUSA-N 358.489 4.520 0 50 FJAA COc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 793967 BIZVSJCNEGIQFF-UHFFFAOYSA-N 363.442 4.656 0 50 FJAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc12 1108643 NAWZHGRBVZAPGL-UHFFFAOYSA-N 361.850 4.693 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccc1 1171662 IKJCOGQBBILPQV-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA CCOc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 2309244 NDVNCJXSUTVJEE-QGZVFWFLSA-N 350.245 4.539 0 50 FJAA Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccccc1 2813409 HITCJAJDFSSKEX-UHFFFAOYSA-N 354.903 4.699 0 50 FJAA COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 2852434 SJRKJMHCFVZBAD-GFCCVEGCSA-N 363.866 4.554 0 50 FJAA C[C@H](NC(=O)c1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2 5662441 DBFMPAJOWQHKBE-DKHPWKACSA-N 368.340 4.845 0 50 FJAA Cc1c[nH]c(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 11663444 RJWSZHKGLWQSGM-HXUWFJFHSA-N 362.477 4.519 0 50 FJAA CCCCN(Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 15001630 RJJGHDJFLXGNAQ-HSZRJFAPSA-N 364.533 4.870 0 50 FJAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2Cc2csc(C)n2)[nH]1 67886659 ZGWQLJHEKAPRDF-UHFFFAOYSA-N 363.490 4.624 0 50 FJAA Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C=C(c1ccccc1)N2 100716721 BSRNABZJZQKUHF-QGZVFWFLSA-N 357.244 4.949 0 50 FJAA O=C(Nc1nccn1-c1ccccc1)N1CCCCC[C@H]1c1ccco1 170616927 KMKYNKXQGZUSIR-KRWDZBQOSA-N 350.422 4.615 0 50 FJAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225716596 GHGOKJUCLHDQGN-BMGDILEWSA-N 369.411 4.579 0 50 FJAA Cc1ccc(-c2ccc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)s2)o1 252550567 STOIEZZCUVITEK-UHFFFAOYSA-N 370.405 4.593 0 50 FJAA C[C@H]1Oc2c(cccc2C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)N=C1O 328786611 KVNWHHGXUJRAOJ-ZTFGCOKTSA-N 374.440 4.516 0 50 FJAA O[C@H](c1cccs1)C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 952970027 TXSSLNYNLLPPBL-QFIPXVFZSA-N 364.514 4.756 0 50 FJAA CC(C)c1ccc(CCC(=O)Nc2n[nH]cc2-c2ccc(F)cc2)cc1 2325727710 IAWFLLWUKGBXGL-UHFFFAOYSA-N 351.425 4.911 0 50 FJAA Nc1c(C(=O)Nc2ccccc2)sc2nccc(Nc3ccccc3)c12 754574 PZNWFPSIOPMEED-UHFFFAOYSA-N 360.442 4.874 0 50 FJAA O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)S1 1105424 ZKLAGSAGWMECRU-YRNVUSSQSA-N 353.877 4.877 0 50 FJAA Nc1nc(Nc2cccc(C(F)(F)F)c2)sc1C(=O)c1ccccc1 1125996 OVDZXBCZRXDPSB-UHFFFAOYSA-N 363.364 4.719 0 50 FJAA CCCOc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 1778617 MCUQWIHZKVZCNE-UHFFFAOYSA-N 358.239 4.925 0 50 FJAA COCCn1c(C)cc(C(=O)CSc2cc(C)c3ccccc3n2)c1C 2845535 JGTLZARJZCZXEY-UHFFFAOYSA-N 368.502 4.583 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 2912026 ZHGQOXLKIZHWIO-HNNXBMFYSA-N 356.476 4.605 0 50 FJAA COc1cccc(CNCc2ccncc2)c1OCc1ccc(Cl)cc1 4413566 NRCZAPSLCDTARM-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 6635001 SCVQYVBXDFBVFU-UHFFFAOYSA-N 374.868 4.795 0 50 FJAA O=C(Nc1nnc(CSc2ccccc2)s1)Nc1ccccc1F 13570802 GXCLWMICLBXDAF-UHFFFAOYSA-N 360.439 4.614 0 50 FJAA COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC 16953163 ORQFDHFZSMXRLM-IYBDPMFKSA-N 358.478 4.778 0 50 FJAA biogenic,investigational CCn1c2ccccc2c2cc(CN3CCN(c4ccccn4)CC3)ccc21 22591807 IGBSUBJLAWCVTB-UHFFFAOYSA-N 370.500 4.532 0 50 FJAA CCOc1ccc(CN(Cc2cccnc2)C2CCCCCC2)cc1CO 55167437 KALFPNUQGBSQKS-UHFFFAOYSA-N 368.521 4.698 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)no1 64984714 QQJOJIQELOXUNB-OAHLLOKOSA-N 351.809 4.960 0 50 FJAA Cc1ccc(CN2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)o1 67947971 BIRFUZCOKVUTAB-UHFFFAOYSA-N 355.459 4.725 0 50 FJAA CCN(CCOC)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72412520 WGLUJWCMCBTZPN-UHFFFAOYSA-N 356.853 4.597 0 50 FJAA CCN(CC)CCNc1ccc(NC(=O)c2ccccc2)c2ccccc12 96026838 OTZDRFYKDJVNAY-UHFFFAOYSA-N 361.489 4.846 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 120984003 PASPJLGGRVJXGD-GOSISDBHSA-N 371.481 4.771 0 50 FJAA CN1CCOc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)cc21 175077156 PMSMWGPACPHMBY-QGZVFWFLSA-N 371.868 4.538 0 50 FJAA CCOc1ccc2cc(C(=O)N3CC[C@@H](C(F)(F)F)C(C)(C)C3)[nH]c2c1 190728869 BLDWGFSEBDKHPY-MRXNPFEDSA-N 368.399 4.617 0 50 FJAA CCN(CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 725074726 DSLXBPUNDHCDLE-UHFFFAOYSA-N 367.445 4.512 0 50 FJAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 857485338 BJQSPHJSXSESMD-CQSZACIVSA-N 351.922 4.629 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2cc3cccc(Cl)c3n2C)c(C)c1 952975427 YJDWQDDUSNHMNC-UHFFFAOYSA-N 369.852 4.741 0 50 FJAA O=C(OC[C@@H]1CCC2(CC2)C1)c1cc(OCC2CC2)c2ccccc2n1 1875357567 LWQQEQNYNFZTHZ-MRXNPFEDSA-N 351.446 4.761 0 50 FJAA Cc1ccc(COC(CN2CCCCCC2)CN2CCCCCC2)cc1 856540 GTCGHKXOBABHCP-UHFFFAOYSA-N 358.570 4.632 0 50 FJAA Cc1ccc(-c2csc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1 947005 WWKLYBZSIBEBLQ-UHFFFAOYSA-N 352.459 4.753 0 50 FJAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1 1178794 TZJAQSKIXSRKKW-UHFFFAOYSA-N 369.808 4.507 0 50 FJAA COc1ccc(C2(CNC(=S)Nc3ccccc3)CCCC2)cc1OC 1218012 GQZMXGXNUNTCRY-UHFFFAOYSA-N 370.518 4.502 0 50 FJAA Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 1221329 NWPOONMLMBOZHS-JXMROGBWSA-N 352.434 4.833 0 50 FJAA O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1ccccc1 1399400 MYGHBGNGZHAVMI-UHFFFAOYSA-N 360.413 4.650 0 50 FJAA CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1 2589024 RLNLBRNVQGKJAH-UHFFFAOYSA-N 372.425 4.777 0 50 FJAA CCn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1 2837764 WFRBFCGJVOGDDZ-UHFFFAOYSA-N 359.882 4.790 0 50 FJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(F)cc2)s1 4589731 UZZCMCJTBTXWJV-OAHLLOKOSA-N 356.426 4.863 0 50 FJAA COc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 9165446 XWTREAGNBIYYIG-UHFFFAOYSA-N 360.826 4.511 0 50 FJAA COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)c1 35561780 YPBKBBUKUFQDJM-OAQYLSRUSA-N 352.478 4.831 0 50 FJAA C[C@@H](c1nccs1)N(C)C(=O)c1cccc(NCc2cccs2)c1 55393701 SHIZUWDWNPUXOB-ZDUSSCGKSA-N 357.504 4.650 0 50 FJAA CC(C)CC(=O)Nc1ccc(C(=O)N2CCC=Cc3ccccc32)cc1F 188246221 RGXZWTMZTNKUIB-UHFFFAOYSA-N 366.436 4.874 0 50 FJAA Cc1ccc(SCc2ccc(C(=O)NCc3csc(C)n3)o2)cc1 220459861 QVHGRVSVSKFUDE-UHFFFAOYSA-N 358.488 4.575 0 50 FJAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239297296 DZBNRLJJOLPANB-RFJMFJJWSA-N 368.304 4.880 0 50 FJAA CC1=C[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)CC(C)=CCC1 253916091 XUVXBQLHPFQADG-HKBOAZHASA-N 358.478 4.627 0 50 FJAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2cc(C)cc(C)n2)c1 299757141 IEUQBRILBMPFNE-JOCHJYFZSA-N 359.473 4.984 0 50 FJAA Oc1cccc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)c1Cl 1857708535 YRFNWJAUEWDUSB-DOTOQJQBSA-N 359.901 4.564 0 50 FJAA Cc1nc2cc(-c3nc(CC(F)(F)F)nn3[C@@H](C)C(C)C)c(F)cc2[nH]1 1875348426 QAUVWQGIXOGKNO-VIFPVBQESA-N 369.366 4.591 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc2c1 630348 TXWCSHUEGWZAAH-UHFFFAOYSA-N 365.168 4.817 0 50 FJAA COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 636759 VBCMXIZVHOISSD-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA biogenic,in-vitro Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 1120339 HYAAMKCMNGCQSE-UHFFFAOYSA-N 350.443 4.870 0 50 FJAA CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 1135794 XEZBEXKKUPWTTJ-UHFFFAOYSA-N 374.556 4.737 0 50 FJAA COC(=O)c1sc2cc(NC(=O)c3cccc(C)c3)ccc2c1Cl 2800457 MYEKUWIBLZUSER-UHFFFAOYSA-N 359.834 4.902 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)c(Cl)c1 2871711 XLVBAEPURZMOLL-UHFFFAOYSA-N 370.861 4.634 0 50 FJAA Cc1ccc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 4811086 QDCDOCYICJQDTK-UHFFFAOYSA-N 368.816 4.853 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccccc2C)cc1 4884951 AOZRWOBZLSENFT-UHFFFAOYSA-N 366.486 4.716 0 50 FJAA CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO 5510422 CKNOIIXFUKKRIC-AVQMFFATSA-N 367.574 4.613 0 50 FJAA COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 8571151 VACOJYHYMUPSIA-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA COc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c1 8571154 IUPMWSVWIMGILF-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA Cc1ccc(C)c(-n2cc(CNCc3cccnc3)c(-c3ccccc3)n2)c1 11820554 RCJZHECAVNRLRA-UHFFFAOYSA-N 368.484 4.841 0 50 FJAA OC[C@]1(Cc2ccccc2)CCCN(Cc2cc3ccccc3s2)C1 12708658 UJXTWXQJLNGGPS-QFIPXVFZSA-N 351.515 4.719 0 50 FJAA O=C(NCCC[C@H]1CCOC1)Nc1ccccc1Oc1ccccc1F 96140968 PFOOMCCROMFSGN-HNNXBMFYSA-N 358.413 4.556 0 50 FJAA Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2cnc3ccsc3c2)n1 123556414 SXAJYBXQTHSCIP-INIZCTEOSA-N 362.502 4.950 0 50 FJAA C[S@](=O)Cc1cccc(NC(=O)c2ccccc2NC2CCCCC2)c1 241644653 PSLUDBSNNOQJPG-SANMLTNESA-N 370.518 4.562 0 50 FJAA Oc1ccc(-c2noc([C@@H](Oc3ccccc3)c3ccccc3)n2)c(F)c1 436874766 RITFSCPTCPOYBP-IBGZPJMESA-N 362.360 4.750 0 50 FJAA Cn1cc(NC(=O)c2ccc(-c3cccs3)s2)c(-c2ccccn2)n1 1342179924 KSVGUKQYNAPOMG-UHFFFAOYSA-N 366.471 4.524 0 50 FJAA CC(C)c1ccccc1Oc1ccccc1C(=O)NC[C@H]1CCCOC1 1875259069 UJCMBFFWASFFJV-QGZVFWFLSA-N 353.462 4.759 0 50 FJAA CC[C@@H](NC(=O)c1coc2cc(O)ccc12)c1ccc(Br)cc1 1875335705 DCCZIRJNYZETFP-MRXNPFEDSA-N 374.234 4.782 0 50 FJAA Cc1cc(F)cc(C2(F)CCN(C(=O)CC(C)(C)C(F)(F)F)CC2)c1 2325703423 IQQQWKAMICWKHC-UHFFFAOYSA-N 363.370 4.900 0 50 FJAA C[C@H](c1cccc2ccccc12)N(C)C(=O)C12CCC(C(=O)O)(CC1)CC2 2325827929 UPXUQYRYZWWEMA-ZUTUBDCJSA-N 365.473 4.784 0 50 FJAA CCC(=O)Nc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 1136172 URPLRERUPMDVMM-UHFFFAOYSA-N 359.425 4.982 0 50 FJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 1165372 CHPWCHPOBXAMER-UHFFFAOYSA-N 368.477 4.730 0 50 FJAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2cccs2)s1 2789401 IXYSRAIAWFGLTC-AWEZNQCLSA-N 373.503 4.680 0 50 FJAA COc1ccc2nc(NC(=O)c3oc4ccc(F)cc4c3C)sc2c1 2873849 PNIGKMSOWODYFN-UHFFFAOYSA-N 356.378 4.751 0 50 FJAA CC(C)(C)C(=O)NCCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4891266 MPUBDJFPOUVRDM-UHFFFAOYSA-N 355.522 4.696 0 50 FJAA Clc1ccc(CSCCc2nc(-c3cccnc3)no2)cc1Cl 4983146 LYSTWVHZQBZELM-UHFFFAOYSA-N 366.273 4.914 0 50 FJAA O=C(c1ccccc1F)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 12190426 DQWSRANPQWBDAL-UHFFFAOYSA-N 353.437 4.809 0 50 FJAA Sc1nnc([C@@H]2CCCN2Cc2ccccc2)n1-c1ccc(Cl)cc1 19858296 NUBGPENOHGDBHU-KRWDZBQOSA-N 370.909 4.547 0 50 FJAA C[C@H]1CN(CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 20166807 HVDDKMIHPYAPGZ-HOTGVXAUSA-N 353.934 4.906 0 50 FJAA CSCCCn1cnc(-c2ccccc2)c1-c1cnc(C(C)C)nc1 65528073 ZKABGDSWDWKTBM-UHFFFAOYSA-N 352.507 4.884 0 50 FJAA CC(C)OC1CCC(NC(=O)Nc2ccccc2-c2ccncc2)CC1 124022394 SRAXKMCWRKZIBQ-UHFFFAOYSA-N 353.466 4.606 0 50 FJAA C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccccc2)CC1 169311859 VEGNLUSKEVURKQ-LJQANCHMSA-N 372.512 4.929 0 50 FJAA CCC[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccccn3)cc2)cc1 426667368 KDMRLXVDDRBXPD-HSZRJFAPSA-N 374.484 4.854 0 50 FJAA Cc1cc(Oc2ccc(Oc3ccccc3)nc2)nc(-c2cccnc2)n1 428665381 ODIUBUVTYKQAIR-UHFFFAOYSA-N 356.385 4.827 0 50 FJAA O[C@@H](c1ccccn1)C1CCN(Cc2cccc3c2oc2ccccc23)CC1 670447507 KINPOOHBFPDHPX-HSZRJFAPSA-N 372.468 4.927 0 50 FJAA Cc1c(O)ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1C 1875345855 KNLOQPIIBSXXQG-OAQYLSRUSA-N 363.482 4.858 0 50 FJAA COCCO[C@@H]1CCCN(c2nc(-c3ccc(C(C)C)cc3)cs2)C1 2325866283 GSXPXASBURVEPF-GOSISDBHSA-N 360.523 4.565 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 657340 JZIHGJKJULIHMB-UHFFFAOYSA-N 359.425 4.634 0 50 FJAA Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc(C)c1Cl 1218443 RVIIFDVQGQERMF-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 2181418 YLMFXORTYASMCC-LJQANCHMSA-N 364.489 4.583 0 50 FJAA C(=C/c1ccccc1)\CSc1nnc(-c2ccncc2)n1Cc1ccco1 2865830 RVJUHENLPLOUPV-VMPITWQZSA-N 374.469 4.787 0 50 FJAA CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 2989569 XKAFDNYUCMEEKG-UHFFFAOYSA-N 364.401 4.573 0 50 FJAA CCCCN(C)C(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C 12279375 XBAZRPQKGTUEOR-UHFFFAOYSA-N 374.554 4.642 0 50 FJAA CCCC[C@H]1CN(Cc2ccc(NC(C)=O)cc2)Cc2ccccc2O1 15006418 GSIDQDOJEMVONC-NRFANRHFSA-N 352.478 4.598 0 50 FJAA CCC[C@](O)(c1ccc(O)cc1)[C@H](CN1CCCCC1)c1ccccc1 16490206 PHQMTFDPHUMHIK-PKTZIBPZSA-N 353.506 4.650 0 50 FJAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1c[nH]nc1-c1cccc(F)c1 91321192 JDRNEEUADOTDLU-CYBMUJFWSA-N 362.408 4.530 0 50 FJAA COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 169685550 UHQVIUXUFNMAQB-JTHBVZDNSA-N 356.425 4.938 0 50 FJAA C[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccsc1 1875260970 PEFQRJGXFBLZQQ-OAHLLOKOSA-N 373.481 4.892 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NC3[C@H]4CCCC[C@H]34)c2c1 1875263948 DNJONCLFKYWJBZ-IRXDYDNUSA-N 357.457 4.524 0 50 FJAA c1ccc(CCC[C@H]2CCCN(C3=NCCN3Cc3ccccc3)C2)cc1 1875345344 WOBIGSSVCORTIV-QHCPKHFHSA-N 361.533 4.593 0 50 FJAA COC(=O)c1ccccc1Sc1c(-c2ccccc2)nc2ccccn12 630669 JELLAKPRZDAOCS-UHFFFAOYSA-N 360.438 4.939 0 50 FJAA Cc1c(C)c(Br)c(Br)c(C)c1Br 641657 WPHRROGPXRIHEG-UHFFFAOYSA-N 356.883 4.899 0 50 FJAA COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 655528 LGXXIXHEOKUPTC-UHFFFAOYSA-N 361.441 4.546 0 50 FJAA OC(c1ccc(Cl)s1)(c1ccc(Cl)s1)[C@H]1CN2CCC1CC2 920374 ZDHSJVXBNDEQSR-NSHDSACASA-N 374.358 4.694 0 50 FJAA in-vitro O=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1Cl 1123252 KALHAHGWXLSDRS-UHFFFAOYSA-N 374.662 4.972 0 50 FJAA COc1cc(NCc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC 1225294 CEQIJVZWBLDFTO-UHFFFAOYSA-N 361.441 4.896 0 50 FJAA CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 1461203 LEGIFIOZTPFJBR-BXUZGUMPSA-N 359.853 4.845 0 50 FJAA COc1ccc2[nH]cc(CCNC(=S)Nc3cccc(Cl)c3C)c2c1 2205356 HVTXMWUTKQFPMU-UHFFFAOYSA-N 373.909 4.667 0 50 FJAA CCCSc1nnc2c(n1)O[C@]1(CCC[C@H](C)C1)Nc1ccccc1-2 2862675 LRFBDTDMGAHIHR-DJJJIMSYSA-N 356.495 4.751 0 50 FJAA C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 13329953 ILEGVMCTIHBIEC-JTQLQIEISA-N 367.232 4.647 0 50 FJAA Cc1cccc(C)c1NC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 15072426 OBTXQFBLQNMQPC-MRXNPFEDSA-N 359.420 4.690 0 50 FJAA CC(C)c1ccc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cc1 67847415 FJKJILFOHINERO-UHFFFAOYSA-N 364.420 4.803 0 50 FJAA Clc1ccc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cn1 71764407 ZSFSYODTHZMUBB-OAHLLOKOSA-N 357.668 4.615 0 50 FJAA CN(CCC(C)(C)O)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 72447191 CHNWAZGTOYZDAY-UHFFFAOYSA-N 369.553 4.728 0 50 FJAA CCc1cccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 241161310 JZVCCBCXJOFARS-GCJKJVERSA-N 365.521 4.623 0 50 FJAA Fc1cccc([C@@H]2CCCCCN2Cc2cc(-c3cccnc3)no2)c1 243901456 BBQHRJRKZQTZCG-NRFANRHFSA-N 351.425 4.993 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)nc1C 534634805 UVMKGCTYXQCMMW-UHFFFAOYSA-N 357.457 4.565 0 50 FJAA CC(C)Oc1ccc(Br)cc1NCc1cccc2[nH]ncc12 2325759392 DJQILOZOGPDMMY-UHFFFAOYSA-N 360.255 4.725 0 50 FJAA COc1ccc(CN(C)C(=O)Nc2cccc([C@]3(C)CCO3)c2)cc1Cl 2325804102 VJWDDZRQXXTESV-FQEVSTJZSA-N 374.868 4.648 0 50 FJAA Cn1c(=O)c(Nc2ccc(-c3cccc(F)c3F)cn2)cc2ccccc21 2356139003 IZFQLPHJALVNOT-UHFFFAOYSA-N 363.367 4.622 0 50 FJAA Cc1cc(Br)c(OC(=O)Nc2ccc(F)cc2F)cc1C 641149 DBMCASYVKHKLBS-UHFFFAOYSA-N 356.166 4.955 0 50 FJAA CCOc1cc(C(=O)NC2CCCCCCC2)cc(OCC)c1OCC 670578 SLZMBHBEEKGVAR-UHFFFAOYSA-N 363.498 4.725 0 50 FJAA Cc1ccc(NC(=O)c2sc3nc(-c4ccccc4)nc(N)c3c2C)cc1 1179710 JZSVOHNNMVYRGE-UHFFFAOYSA-N 374.469 4.810 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1 1239944 NMYGNAHSBRIEKE-UHFFFAOYSA-N 354.435 4.556 0 50 FJAA O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1ccccc1 2869188 RYADSPLXPJMDPO-JXMROGBWSA-N 353.472 4.596 0 50 FJAA CCCOc1cc(OCCC)cc(C(=O)Nc2ccc(OCC)cc2)c1 2980810 VSUNNCSBSYWBGN-UHFFFAOYSA-N 357.450 4.915 0 50 FJAA C[C@]1(c2ccncc2)Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5570447 JKTAGXCCYMLMKN-RBBKRZOGSA-N 359.404 4.637 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3ccc(Cl)s3)c2C)cc1 11818312 BIVFAUWOAWZPEA-GFCCVEGCSA-N 361.898 4.755 0 50 FJAA CCN(C(=O)c1cccc(NC(=O)NC2CCCCC2)c1)c1ccccc1 12138846 UGVQOWZGBSFQCS-UHFFFAOYSA-N 365.477 4.808 0 50 FJAA Cc1nn2c(NCc3ccccn3)cc(C(C)C)nc2c1-c1ccccc1 12421706 RMGILKZSADYARH-UHFFFAOYSA-N 357.461 4.835 0 50 FJAA O=C(c1cncs1)N(Cc1ccc(OC[C@@H]2CC=CCC2)cc1)C1CC1 23145487 GFSBAFDRUNVAJM-QGZVFWFLSA-N 368.502 4.683 0 50 FJAA COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2 35930738 UOVCGJXDGOGOCZ-UHFFFAOYSA-N 356.788 4.745 0 50 FJAA in-man C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(-c2ccncc2)c1 151057833 QMSWWBRXPBVKSV-GOSISDBHSA-N 358.489 4.595 0 50 FJAA Cc1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)on1 173742994 CLRXKAACEJMINU-UHFFFAOYSA-N 364.474 4.529 0 50 FJAA Cc1noc([C@H]2CCCCN2C(=O)c2cccc(-c3sccc3C)c2)n1 299758155 NXPZIGVXJJWLIE-QGZVFWFLSA-N 367.474 4.782 0 50 FJAA Cc1nc(-c2cccc(C(=O)N3CC=C[C@H]3C(C)C)c2)c2ccccc2n1 584889075 SSCQKLPCUFGSPZ-NRFANRHFSA-N 357.457 4.642 0 50 FJAA COc1cc(C)c(-c2nc(NC(=O)C[C@H]3CC3(F)F)sc2C)cc1C 1940198325 FUQQGLGZZHZKKS-LBPRGKRZSA-N 366.433 4.728 0 50 FJAA O=C(/C=C/c1ccc(OCc2cccnc2)cc1)OCc1ccc(F)cc1 2325724051 AVNBVSCJCRGGDQ-KPKJPENVSA-N 363.388 4.556 0 50 FJAA COc1ccc(Nc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)cc1 797403 AYMWIFZNZHXSLU-UHFFFAOYSA-N 371.444 4.698 0 50 FJAA O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cccc(F)c1 877469 GIUQAVGFOANNSE-UHFFFAOYSA-N 358.756 4.577 0 50 FJAA Cc1cccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)c1 1075893 IWFMIQFMOCEJOW-UHFFFAOYSA-N 359.451 4.530 0 50 FJAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl 1135630 QUXUMFFJRMOHMV-UHFFFAOYSA-N 370.179 4.813 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)NC(c1ccccc1)c1ccccc1 1187877 HKRYGLHEVTYMSL-UHFFFAOYSA-N 373.481 4.561 0 50 FJAA CCOP(=O)(OCC)C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl 2674917 WIORAUDKDZYFMG-UHFFFAOYSA-N 366.181 4.595 0 50 FJAA COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 2762986 WIEIUCRXJOGIFS-UHFFFAOYSA-N 350.852 4.786 0 50 FJAA Cc1ccc(SCc2ccc(C(=O)NCCCOC(C)C)cc2)cc1 2879491 IJVNJEXDZIETGV-UHFFFAOYSA-N 357.519 4.832 0 50 FJAA Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 4122468 XXZBSZVWGGHPLT-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA CC(C)c1ccc(OC[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4176569 OFDQSJYJLALSON-LXGFQCHUSA-N 355.522 4.910 0 50 FJAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccoc2)c1 11661526 LBTWXRHSTKNUCF-JOCHJYFZSA-N 372.424 4.557 0 50 FJAA Cc1c(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)oc2c(F)cccc12 11843267 WAYWMXRHALHPEK-CYBMUJFWSA-N 371.433 4.677 0 50 FJAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)cc1 11938300 QTQURQGWNNWEOO-SFHVURJKSA-N 357.885 4.575 0 50 FJAA Cc1ccc(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1F 13320222 YHBCTAHNCNJVEU-UHFFFAOYSA-N 369.484 4.607 0 50 FJAA CN(Cc1nccs1)C1CCN(c2ccc(-c3ccco3)cc2)CC1 23369169 JMRHHSXIVGVQPA-UHFFFAOYSA-N 353.491 4.504 0 50 FJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1OC 25781547 NKJZBGHLJGKNOS-FNRDRBAHSA-N 370.452 4.631 0 50 FJAA CC(C)c1ncc(-c2cc(C(=O)N3CCC(C)(C)C3)c3ccccc3n2)cn1 63855471 KMCQWXJHPWHIQS-UHFFFAOYSA-N 374.488 4.687 0 50 FJAA CC(C)CCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67674611 KFUIQGCLJWHSPU-UHFFFAOYSA-N 373.880 4.870 0 50 FJAA COCc1ccccc1NCc1nc(-c2cccc(Br)c2)c[nH]1 119429919 NMZYFFBWVLICKY-UHFFFAOYSA-N 372.266 4.598 0 50 FJAA O=C(CCc1ccc2ccccc2c1)N1CCc2c([nH]c3ccccc23)C1 126815757 OAVWGWXADSZTSH-UHFFFAOYSA-N 354.453 4.839 0 50 FJAA Cc1cc(C)cc([C@@H](C)NC(=O)N2CC3(CCOCC3)c3ccccc32)c1 252478752 AUQJYHHWEBXZTQ-GOSISDBHSA-N 364.489 4.642 0 50 FJAA Cc1cc(-c2cccc(C(=O)N(Cc3cccnc3)CC(C)C)c2)ccn1 299777210 PJHZRAOIIZFISN-UHFFFAOYSA-N 359.473 4.750 0 50 FJAA O=C(c1ccc(-c2cccc(O)n2)cc1)N1CCCCC[C@H]1c1ccco1 426443530 ZKFYFLCCTLZJJD-IBGZPJMESA-N 362.429 4.805 0 50 FJAA CSc1nnc2c(n1)O[C@H](c1ccc3ccccc3c1)Nc1ccccc1-2 675508 ONYYHRMGGMZCIF-LJQANCHMSA-N 372.453 4.917 0 50 FJAA CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 993597 PYDYAKGQGAWWRA-CXAGYDPISA-N 354.479 4.527 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1C 1166717 FYSNSSIOSNTEPR-UHFFFAOYSA-N 358.869 4.575 0 50 FJAA COc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cccc1C 1206919 XZZAXRGBINJVIG-JXMROGBWSA-N 360.251 4.726 0 50 FJAA aggregator CC(C)c1cccc(NC(=O)c2ccccc2I)c1 2532664 PWDLTTBBDDLZLW-UHFFFAOYSA-N 365.214 4.667 0 50 FJAA O=C(NCc1ccccc1)c1cccc(COc2ccc3c(c2)CCC3)c1 2836241 JZJPIXSLZQLFLX-UHFFFAOYSA-N 357.453 4.684 0 50 FJAA Cc1cc(Cl)cc(C)c1OCCCCn1cnc2ccccc2c1=O 2863100 HNYOIJRLTFWXDS-UHFFFAOYSA-N 356.853 4.526 0 50 FJAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc12 4113523 VFAMKOZCHPXHQJ-HXUWFJFHSA-N 366.461 4.591 0 50 FJAA CCCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CCC 6351876 ZMCZDXYYRSXHPV-UHFFFAOYSA-N 355.526 4.810 0 50 FJAA CCc1ccc(CNC(=O)c2ccc3nc(C4CCCCC4)oc3c2)nc1 12308095 AFFTYZFJQNZORH-UHFFFAOYSA-N 363.461 4.763 0 50 FJAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)c2c1 77471532 JAIOFWCOJRLBGN-HXUWFJFHSA-N 363.461 4.940 0 50 FJAA COc1cccc(CN(Cc2cc(O)c(OC)cn2)C2CCCCCC2)c1 244716113 LIRJSVNFIVOJFP-UHFFFAOYSA-N 370.493 4.529 0 50 FJAA C[C@H]1C[C@@H](c2cccnc2)N(c2nc(-c3ccncc3)nc3ccccc23)C1 754088863 VRFQISMUCTWNIV-KKSFZXQISA-N 367.456 4.674 0 50 FJAA Cc1cc(CNC(=O)/C=C/c2ccncc2)ccc1Oc1ccc(F)cc1 2325726190 NVBNDHLJBKJAGK-YCRREMRBSA-N 362.404 4.651 0 50 FJAA Cc1nnc(N2CCC[C@@H](CCCc3ccccc3)C2)n1Cc1ccccc1 2325842388 WVMCJCRTDOUSGO-JOCHJYFZSA-N 374.532 4.874 0 50 FJAA O=C1NC(=S)N(C2CCCCC2)[C@H](c2ccccc2)[C@H]1c1ccccc1 756493 PTXAETVOBJKGAB-WOJBJXKFSA-N 364.514 4.561 0 50 FJAA Cc1ccc(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1 991897 BXWCDNLDFXZTCP-UHFFFAOYSA-N 360.409 4.614 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl 1109751 VIFGZJOCKJCQAG-UHFFFAOYSA-N 374.289 4.926 0 50 FJAA COc1cc(C=O)cc(Br)c1OCc1c(F)cccc1Cl 1141904 WPAGJPCPQDRWDQ-UHFFFAOYSA-N 373.605 4.642 0 50 FJAA Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)o1 1200980 ULNFXNWYESJEIB-UHFFFAOYSA-N 372.380 4.784 0 50 FJAA CCOC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)c2ccccc2n3CC)C1 1227467 ANBLDXXOGVVWAX-GOSISDBHSA-N 364.489 4.590 0 50 FJAA Cc1ccc(OCn2ccc(C(=O)Nc3ccc4ccccc4c3)n2)c(C)c1 2796468 XAMGHBSAKUOOSB-UHFFFAOYSA-N 371.440 4.942 0 50 FJAA COc1cc(C=O)ccc1OCCCOc1cc(Cl)ccc1Cl 2983818 VZOWNXRDVSYNME-UHFFFAOYSA-N 355.217 4.662 0 50 FJAA CCOc1ccccc1N1CCN(Cc2c(Cl)cccc2Cl)CC1 5585931 LGBUEVDWSCTNPM-UHFFFAOYSA-N 365.304 4.714 0 50 FJAA CC[C@H](C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 7759537 JOGWVBXQUAUJHO-KRWDZBQOSA-N 369.852 4.542 0 50 FJAA O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCCCCC1 14951555 XBLFNYUDBSZOLT-UHFFFAOYSA-N 368.477 4.539 0 50 FJAA Sc1nnc(-c2ccc(OC3CCCC3)cc2)n1CCc1ccccc1 17075141 VSFGDAFZYKEORW-UHFFFAOYSA-N 365.502 4.798 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1OC 35476484 BWMJXYHTVGMWKM-INIZCTEOSA-N 360.841 4.726 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(CCCn2cccn2)C1 65419733 IAPNAFNFFUNLLR-QHCPKHFHSA-N 373.500 4.535 0 50 FJAA CC[C@@](C)(NC(=O)Nc1nc(-c2ccco2)cs1)c1nc(C)cs1 170643959 IFKVEEVQDWAAKT-MRXNPFEDSA-N 362.480 4.615 0 50 FJAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 412264931 BPQKUZHCWSHYFC-RZUBCFFCSA-N 371.484 4.934 0 50 FJAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccn3Cc3cccs3)C2)cc1 470565024 PWGQSSDVECJDBQ-MJGOQNOKSA-N 364.514 4.925 0 50 FJAA Cc1cc(CN(C)Cc2cccc(OCc3c(F)cccc3Cl)c2)no1 823719795 AAOHWOAYFHXVCD-UHFFFAOYSA-N 374.843 4.987 0 50 FJAA CC1(C)CCC[C@@H]1NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 1435370539 FCDHQQCOEGLCMK-INIZCTEOSA-N 350.890 4.755 0 50 FJAA CC(C)SCCN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704330016 SVSHSPGTVWVEMZ-JOCHJYFZSA-N 367.562 4.565 0 50 FJAA CCS[C@H](C)c1nc(-c2ccsc2OC)n(CCC(C)(C)OC)n1 1875335844 JCPVJLOUQZYXQZ-GFCCVEGCSA-N 369.556 4.644 0 50 FJAA Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 2325817739 RHBFECPCYPDPCD-RSOXTXAHSA-N 369.508 4.922 0 50 FJAA CCn1c(SCc2cccc(F)c2)nc2sc3c(c2c1=O)CCCC3 731698 YJYOOHODOIABJE-UHFFFAOYSA-N 374.506 4.788 0 50 FJAA O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 845901 JPANQFIORHJURS-UHFFFAOYSA-N 361.832 4.990 0 50 FJAA CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Cl)cc3)c12 941162 NLDOQQVWKRKXOY-UHFFFAOYSA-N 370.832 4.969 0 50 FJAA O=C(Oc1c(Br)cc(Cl)c2cccnc12)N1CCCCC1 947978 KMWBOUMXDSATMV-UHFFFAOYSA-N 369.646 4.635 0 50 FJAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCCC2 1081667 ZGEBABUAMRWBFC-UHFFFAOYSA-N 372.490 4.626 0 50 FJAA Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 1207954 HYZLVYQVGMAEGZ-UHFFFAOYSA-N 351.294 4.933 0 50 FJAA Cc1ccccc1Cn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910721 DGBWDMSLSYBESA-SFHVURJKSA-N 361.489 4.507 0 50 FJAA COc1ccccc1-c1cc(C(=O)NCc2cccs2)c2ccccc2n1 5048366 QZDQGQBYFULLKV-UHFFFAOYSA-N 374.465 4.902 0 50 FJAA CCc1ccc(-c2cc(C(=O)Nc3cc(C)n(C)n3)c3ccccc3n2)cc1 6489965 XLGPTXLLVHGQJG-UHFFFAOYSA-N 370.456 4.758 0 50 FJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 6783475 PRAZMGMARSWDQK-UHFFFAOYSA-N 368.462 4.946 0 50 FJAA COc1ccc(F)cc1-c1nccn1[C@@H](c1ccccc1)c1ccncc1 71589560 WZFZFCMERIVTGZ-NRFANRHFSA-N 359.404 4.731 0 50 FJAA CC(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2CCc2cccs2)c1 96164910 WGUBQGTUSWQRNC-GOSISDBHSA-N 371.506 4.726 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN[C@H]2CC3(CCCC3)Oc3ccccc32)o1 131251743 HXGSKFMTDMIWTE-SFHVURJKSA-N 363.461 4.904 0 50 FJAA O=C(Nc1c(F)cc(Cl)cc1F)N(C[C@@H]1CCCO1)C1CCCC1 182797272 UZEAHPKMSFVXIS-ZDUSSCGKSA-N 358.816 4.574 0 50 FJAA COCCCN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cl)cccc2[nH]1 215614083 QLUUTUMPKFBPIV-UHFFFAOYSA-N 374.843 4.639 0 50 FJAA O=C(Nc1ccccc1Sc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225714318 OBWXFODKMAXEFK-KODHJQJWSA-N 367.470 4.523 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1 299768501 VOOJQIUSRUUPLY-FQEVSTJZSA-N 356.441 4.916 0 50 FJAA Cn1c(-c2ccc(-c3ccccc3)cc2)cn(CC(=O)c2ccccc2)c1=N 334157584 OYOCKYOLZWUFLG-UHFFFAOYSA-N 367.452 4.523 0 50 FJAA Cc1cc(C)cc(CSCC(=O)N(C)[C@@H](c2ccccn2)C2CC2)c1 952986966 HLBRWXWVCZHZDF-OAQYLSRUSA-N 354.519 4.541 0 50 FJAA O=C(C[C@H](Cc1ccccc1)c1ccccc1)Nc1nccn1CC1CC1 1875260589 SCEXMHCBSVTNIF-NRFANRHFSA-N 359.473 4.648 0 50 FJAA Cc1cc(-n2ccnc2)ccc1C(=O)Oc1ccccc1Oc1ccccn1 2325742669 ZBORFUYLFFJDJJ-UHFFFAOYSA-N 371.396 4.587 0 50 FJAA C[C@@H](c1ccco1)N(C(=O)c1cccc(Br)c1)c1ccccn1 623642 KHQDTKACXNSUDM-ZDUSSCGKSA-N 371.234 4.845 0 50 FJAA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccccc1Br 1182735 DFQOQACGFNCGMN-UHFFFAOYSA-N 352.231 4.953 0 50 FJAA COc1cc(NC(=O)c2c(Cl)cccc2Cl)c(OC)cc1Cl 1206149 ZXJIFDCBGHZMBJ-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccco1 1216683 SXCGBKFHPGTZOO-PKNBQFBNSA-N 360.369 4.748 0 50 FJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1218296 MXJXBWYWYXCQIA-UHFFFAOYSA-N 360.129 4.600 0 50 FJAA C[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)C1 1460262 ANRVPJZSTPGDFQ-CQSZACIVSA-N 365.864 4.822 0 50 FJAA CCOc1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)O)cc1 2810362 PEUPATUJBANYJU-UHFFFAOYSA-N 354.431 4.580 0 50 FJAA Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c(C)o1 12835662 NWCJCVRTXZTKLI-IBGZPJMESA-N 363.461 4.506 0 50 FJAA Cc1ccccc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 13235450 UKDRPMIAJKYWHR-UHFFFAOYSA-N 365.380 4.766 0 50 FJAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)s1 19300396 FAPMIVQLOFEUIB-INIZCTEOSA-N 359.466 4.575 0 50 FJAA O=C1[C@@H](c2ccccc2)c2ccccc2N1N1CCC[C@@H]1c1ccccc1 44125052 ZJCDYCYJCMBPGC-GGAORHGYSA-N 354.453 4.917 0 50 FJAA Fc1ccc2[nH]c([C@H]3CCCN3Cc3cncn3C3CCCCC3)nc2c1 72172396 OWWPEDFCBXEULO-HXUWFJFHSA-N 367.472 4.741 0 50 FJAA CO[C@@H]1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1 96153470 IYEJTONBVXSWTK-MRXNPFEDSA-N 374.481 4.761 0 50 FJAA COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([C@H]2CCCO2)s1 97773013 FJBBKPMMIUSJMF-OAHLLOKOSA-N 365.882 4.534 0 50 FJAA C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(Cl)cc1Cl 169308087 YBFUUMBZJISEEE-MKIWLTPFSA-N 368.304 4.502 0 50 FJAA Cc1csc(C(C)(C)NC(=O)c2cccc(Oc3ccccc3)c2)n1 170629120 ZXUDJPQKMFXOTL-UHFFFAOYSA-N 352.459 4.909 0 50 FJAA O=C(Nc1ccccc1SCc1ccccc1F)N[C@H]1CC[C@H](O)CC1 299770129 LUFNBSHXQVYYHZ-WKILWMFISA-N 374.481 4.543 0 50 FJAA COc1cc(OC)cc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1 781916 DUNIFTKSWIVUPZ-UHFFFAOYSA-N 362.838 4.700 0 50 FJAA Cc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 824897 BHJSQVIKIJQVTA-CYBMUJFWSA-N 363.697 4.595 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1Br 951596 RFVLORHXCFABBS-RMKNXTFCSA-N 360.251 4.726 0 50 FJAA Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 1142332 TUSCBDJHXARFCH-UHFFFAOYSA-N 360.280 4.537 0 50 FJAA C(=C/c1ccccc1)\CSc1nnc(-c2ccccn2)n1Cc1ccco1 2371701 GVPGVDUUNVVLND-JXMROGBWSA-N 374.469 4.787 0 50 FJAA Cc1ccc(F)c(NC(=O)c2ccn(COc3cc(C)ccc3Cl)n2)c1 2798493 YZCZURQRNZBCHV-UHFFFAOYSA-N 373.815 4.581 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1Cl 2979062 GVLSJVRTOHXDCC-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA CC(C)N1C[C@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C 5574440 ISISUCXOWWQKPO-YDHSSHFGSA-N 351.490 4.878 0 50 FJAA COc1cc(OC)c(-c2nnc(-c3ccc4ccccc4c3)o2)cc1OC 23279699 WMYIRPUNUCGSMF-UHFFFAOYSA-N 362.385 4.583 0 50 FJAA Clc1ccc([C@@H]2CN(c3ncnc4sccc34)CCO2)cc1Cl 66815710 HUMIOOGSOKAENM-AWEZNQCLSA-N 366.273 4.576 0 50 FJAA BrC1(Br)[C@]23CCCC[C@]12Cc1ccccc1C3 71785862 DFFOCZGXDRQXJY-OKILXGFUSA-N 356.101 4.832 0 50 FJAA Cc1noc(C)c1C[C@H](C)N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C 152074569 FFMIKZDQZANUMJ-QWHCGFSZSA-N 372.900 4.721 0 50 FJAA O=C(Nc1nc2c(Cl)cccc2s1)C1(c2ccccc2)CCOCC1 192173497 QVKVKBPKDAKCGA-UHFFFAOYSA-N 372.877 4.637 0 50 FJAA Cc1cc(OC[C@H](O)CN[C@@H]2CCC[C@H](C)[C@H]2C)c(C(C)C)cc1Cl 252438307 WBUQDBZWBIJYKV-CNVJLJKISA-N 367.961 4.926 0 50 FJAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1ccco1 656631 ROZONFIYXSGPLN-CMDGGOBGSA-N 371.389 4.586 0 50 FJAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)[C@H]1CCCO1 1054797 PXYYJIGCCCPTGY-MRXNPFEDSA-N 350.443 4.595 0 50 FJAA CCN(CC)C(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 1131673 QUSJOCFXHCARJB-UHFFFAOYSA-N 360.457 4.503 0 50 FJAA CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1150288 GNVFTAPQSCGXOY-GFCCVEGCSA-N 368.296 4.763 0 50 FJAA CCCCc1nc2ccccc2c(NC(=O)CN2CCCCC2)c1CCC 2298705 DPRQYNMTZXEVDS-UHFFFAOYSA-N 367.537 4.954 0 50 FJAA COc1cc2sc(NC(=O)c3cc4ccccc4o3)nc2cc1Cl 2862318 PFWPXRVEIYIXDF-UHFFFAOYSA-N 358.806 4.957 0 50 FJAA Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)OC(C)C 3902751 YOVKXBJTNDCONT-UHFFFAOYSA-N 352.386 4.568 0 50 FJAA biogenic Cc1nn2c(NC[C@@H]3CCCO3)cc(C(C)(C)C)nc2c1-c1ccccc1 5576913 NYBBLMZEXAANIK-KRWDZBQOSA-N 364.493 4.593 0 50 FJAA COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccccc2Cl)cc1F 11664180 LXOJPRHLKHXCPE-GFCCVEGCSA-N 359.832 4.729 0 50 FJAA COc1ccccc1NC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 17122506 FDUDDBCMYMMODZ-UHFFFAOYSA-N 360.826 4.511 0 50 FJAA Cc1cnccc1Cn1ccc(-c2cccc(-c3ccc4c(c3)OCO4)c2)n1 20914178 GFPCEFFUUYKYNF-UHFFFAOYSA-N 369.424 4.698 0 50 FJAA CCOc1ccccc1NC(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 65363508 BRJKOHIDRFWBNG-UHFFFAOYSA-N 363.421 4.571 0 50 FJAA CC[C@H](c1cccnc1)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65425232 NHOSTDHDLRIWED-LJQANCHMSA-N 359.429 4.697 0 50 FJAA O=C(c1ccc([C@@H]2CCCO2)s1)N(Cc1ccc2[nH]ccc2c1)C1CC1 91504787 QIFLFIYFAGGJPU-SFHVURJKSA-N 366.486 4.886 0 50 FJAA Cc1c(Cl)cccc1-c1cccc(C(=O)N2CCC[C@H](CCN)C2)c1 426641502 JRQYTXFQORWFGW-MRXNPFEDSA-N 356.897 4.516 0 50 FJAA COc1cc(NC(=O)C[C@H](C)c2ccccc2)ccc1NC(=O)CC(C)C 824596682 JXGNEISVYNHLJW-INIZCTEOSA-N 368.477 4.812 0 50 FJAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC[C@@H]1CCC2(CCC2)[C@H]1O 1875342708 DKQGAHIPHPEPGC-QKXFGWLGSA-N 361.570 4.677 0 50 FJAA COc1ccc(-n2ccn(Cc3ccc(C4CCCCC4)cc3)c2=O)cc1 2325863339 FHIYGMDEOMBISJ-UHFFFAOYSA-N 362.473 4.744 0 50 FJAA COc1cnccc1-c1cccc(C(=O)N2CCCC[C@H]2c2ccccn2)c1 2356166376 VLTXHIKJQYZISD-NRFANRHFSA-N 373.456 4.520 0 50 FJAA O=C(CSCc1ccccc1Br)Nc1ccc(F)cc1F 1147451 LTBRUCQYYLXSTR-UHFFFAOYSA-N 372.234 4.599 0 50 FJAA CCOC(=O)c1c(NC=O)sc(-c2ccccc2)c1-c1ccccc1 1157945 HAQKOWDQTRFSKZ-UHFFFAOYSA-N 351.427 4.827 0 50 FJAA CC(C)(C)C(=O)C(C(=O)C(C)(C)C)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C 3107492 DYUAZCJYCTZCEX-UHFFFAOYSA-N 366.542 4.680 0 50 FJAA COCCOc1ccc(Cl)cc1NC(=O)c1ccc(C(C)(C)C)cc1 4810495 YQADCHXFZYNQOT-UHFFFAOYSA-N 361.869 4.915 0 50 FJAA CC[C@@H]1CCCCN1Cc1c(C)nc2ccc(Br)cc2c1O 8714157 RYINFEXOHWYTSX-CQSZACIVSA-N 363.299 4.776 0 50 FJAA Cc1c(C(=O)N2CCC[C@H](Nc3ccccc3)C2)[nH]c2ccc(Cl)cc12 11822083 MUGZEGFWIDIVFH-KRWDZBQOSA-N 367.880 4.846 0 50 FJAA Cc1ccc(C)c(NC(=O)c2cc3cc(Br)ccc3oc2=N)c1 17076035 ITNKJXRGSBEIHK-UHFFFAOYSA-N 371.234 4.544 0 50 FJAA Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2ncc(-c3ccccc3Cl)c2n1 23114949 GNBDHOVYHHUXLM-ZIAGYGMSSA-N 354.885 4.840 0 50 FJAA COc1ccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)cc1OC 71384636 RQWUAYJXGMGIKZ-UHFFFAOYSA-N 365.820 4.734 0 50 FJAA C[C@@](O)(c1cccc(Br)c1)[C@@H](c1ccccc1)c1ccccn1 71767172 SRVOWSGHWXFHJP-VQTJNVASSA-N 368.274 4.884 0 50 FJAA CC(C)CN(C(=O)c1noc2c1CCCCC2)[C@H]1CCCc2cccnc21 158162610 AJUIIHLTAXPNDY-SFHVURJKSA-N 367.493 4.514 0 50 FJAA COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 166484391 YUMGJHNOPNNTPD-ZDUSSCGKSA-N 368.502 4.811 0 50 FJAA O=C(Oc1ccc(N2CCCC2)cc1)c1cnn(-c2ccccc2)c1C1CC1 1875329699 DLNPTZJVJZSPBX-UHFFFAOYSA-N 373.456 4.569 0 50 FJAA CCC[C@@H](NC(=O)c1cc2c(nc1O)CC[C@@H](CC)C2)C1CCCCC1 1875354322 DMPXMUCYIXFRKG-DNVCBOLYSA-N 358.526 4.781 0 50 FJAA COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 989315 UDCKDTLMTAUURO-UHFFFAOYSA-N 360.438 4.785 0 50 FJAA aggregator Cc1cc(C)cc(OCc2nc(-c3ccc(Br)cc3)no2)c1 1198768 BXNJLUGVTMQTHC-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(F)F 2798425 UUCLZBQTHPULPF-UHFFFAOYSA-N 362.159 4.856 0 50 FJAA CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)C2 4912704 PWAIIYWTEJEUDP-SFHVURJKSA-N 373.452 4.695 0 50 FJAA COC(=O)c1c(NC(=S)Nc2ccc(C(C)C)cc2)sc2c1CCC2 5944968 YQTZBZRDYAYFMT-UHFFFAOYSA-N 374.531 4.956 0 50 FJAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1C(F)(F)F 11700745 XVIYBOAIQGIMGB-UHFFFAOYSA-N 356.347 4.944 0 50 FJAA Cc1ccc2nc(-c3ccc(F)cc3)c(CNCc3cn(C)nc3C)cc2c1 12154646 XVLRBQNUODXMII-UHFFFAOYSA-N 374.463 4.681 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccncc3)no2)cc1C 22457877 LILYVRDMSDVYFP-UHFFFAOYSA-N 370.412 4.668 0 50 FJAA O=C(c1ccccc1C(F)(F)F)N1CCCC[C@@H]1CCc1ccccn1 218881233 OIBCFGLGYYPTGK-MRXNPFEDSA-N 362.395 4.728 0 50 FJAA CCCCCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC 239347278 MPYSXPHSCSBUPX-NGSHPTGOSA-N 365.561 6.190 0 50 FJAA CC1(CO)CCN(C(=O)Nc2ccc3oc(-c4ccccc4)cc3c2)CC1 299798115 PRIOFUWCQBDTOE-UHFFFAOYSA-N 364.445 4.726 0 50 FJAA CC(C)(C)c1ccc(CN2CCOC[C@H]2C[C@H]2CNc3ccccc32)cc1 1875344916 QHBYWMOCDGWBMK-PZJWPPBQSA-N 364.533 4.784 0 50 FJAA Cc1ccc(-c2nc(C(=O)O[C@@H]3CCC[C@@H]3c3cccnc3)cs2)o1 2325743023 VJOWNGVPEHSHTJ-GDBMZVCRSA-N 354.431 4.600 0 50 FJAA Cc1c(CCNC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 860648 PLMWFFFFXRANGN-UHFFFAOYSA-N 368.480 4.971 0 50 FJAA CCc1sc(NC(=O)c2c(OC)cccc2OC)nc1-c1ccccc1 1129641 YCJGLVNUTHICBS-UHFFFAOYSA-N 368.458 4.642 0 50 FJAA c1ccc(Oc2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1 4745805 BMNGXGRQNLPAHV-UHFFFAOYSA-N 350.506 4.929 0 50 FJAA C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 5048851 LBEWSFNIOHWDPK-GOSISDBHSA-N 373.500 4.506 0 50 FJAA Cc1cccc([C@H](NC(=O)c2cc(C)nc3c(C)c(C)ccc23)C2CC2)n1 77300004 KHWUGBAELCRQNZ-JOCHJYFZSA-N 359.473 4.745 0 50 FJAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CC[C@H]1c1ccccc1 95382744 UVJFTVLYVCSNKP-NRFANRHFSA-N 353.425 4.589 0 50 FJAA C[C@H](Cc1ccco1)N1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 252488809 IZNAMGDXRXEQDO-CYBMUJFWSA-N 365.458 4.596 0 50 FJAA COCC[C@@H]1CCCN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)C1 426552386 VHOMCCGBLKSUHY-KRWDZBQOSA-N 362.473 4.724 0 50 FJAA CC[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1 763864192 GOBBCALZTUXRII-SFHVURJKSA-N 353.805 4.707 0 50 FJAA O[C@@H](c1cccc(-c2cccc(OCc3ccccc3)c2)n1)C(F)(F)F 1875322830 JXKGKOKEQHBQHV-IBGZPJMESA-N 359.347 4.923 0 50 FJAA O=C(O)C12CC(CN3CCc4sccc4[C@@H]3c3ccc(Cl)cc3)(C1)C2 2325773166 ZMKGGOAVLYQQGW-KKXNLOMOSA-N 373.905 4.604 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccs1 710377 DAUIBVZIZGOBRG-UHFFFAOYSA-N 357.456 4.906 0 50 FJAA O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1ccccc1 727186 KSWRYDLOUCLPGY-UHFFFAOYSA-N 362.454 4.741 0 50 FJAA O=C(Nc1nc2ccc(Br)cc2s1)c1cccc(Cl)c1 993489 IWFGGILLLTVMTK-UHFFFAOYSA-N 367.655 4.965 0 50 FJAA Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1C 2752618 MWXIRBSBWXLECC-UHFFFAOYSA-N 370.404 4.555 0 50 FJAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 4980297 TXPIKTHCMKXRPK-HNNXBMFYSA-N 366.402 4.598 0 50 FJAA Cc1cccc(N(Cc2ccccc2)C(=O)c2cc3ccccc3oc2=O)c1 4993668 UQMCCVSVFFFXKR-UHFFFAOYSA-N 369.420 4.948 0 50 FJAA CC(C)CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 11910763 MGOFIDDEGFXMLZ-UHFFFAOYSA-N 354.475 4.519 0 50 FJAA O=C(Nc1ccccc1Br)N1CCC(Cc2ccccc2)CC1 13746112 FUGVGOFIBNQJRS-UHFFFAOYSA-N 373.294 4.936 0 50 FJAA CCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3Cl)on2)on1 33269924 UDRJTNQARBUOKS-MRXNPFEDSA-N 371.824 4.523 0 50 FJAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4Cl)cc3)C(=O)[C@H]12 100974580 DQBMCXZHIPBGIK-VVFCZOMOSA-N 367.832 4.834 0 50 FJAA C[C@H](NC(=O)NCc1cccc2cccnc12)c1cccc2ccccc12 170598411 HSMLOCOLCVDDTM-INIZCTEOSA-N 355.441 4.948 0 50 FJAA Cc1ccc([C@@H]2CCCC[C@@H]2OC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 248105050 QNKUHKHARISKGP-CUWPLCDZSA-N 363.457 4.690 0 50 FJAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCC2(CCc3ccccc32)CC1 952972260 WUOBHDSQCFQTSV-GOSISDBHSA-N 367.514 4.720 0 50 FJAA Cc1c(CC(C)C)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 652859 YBXWXOWUCSRQQM-UHFFFAOYSA-N 350.414 4.562 0 50 FJAA COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccncc2)n1 812430 SVCIGDXNMWCKKE-UHFFFAOYSA-N 364.792 4.523 0 50 FJAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1 1117129 DXBQIHRHTOEXOL-BUHFOSPRSA-N 360.413 4.746 0 50 FJAA O=C(NCc1ccco1)c1ccc(COc2cccc3ccccc23)cc1 1142330 DBHHMVWLAFQVAI-UHFFFAOYSA-N 357.409 4.942 0 50 FJAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)C(Cl)(Cl)Cl 1207835 XZCMBCKWPGJMDR-UHFFFAOYSA-N 371.607 4.509 0 50 FJAA O=c1[nH]c(SC/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 2073242 TWZORCDXXUCSSZ-RMKNXTFCSA-N 354.500 4.669 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccco2)sc(CC)c1-c1ccccc1 2999183 BJNHEXYSKHBNDN-UHFFFAOYSA-N 369.442 5.000 0 50 FJAA CCN(CC)C(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 4538988 QLCSFFHIQADJJC-UHFFFAOYSA-N 371.531 4.627 0 50 FJAA Cc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1C 4657037 MSPMDDRXLLALSF-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CC(=O)c1ccc(OCCOc2ccc(OCc3ccccc3)cc2)cc1 8730016 KJIXZTJBQVHPPV-UHFFFAOYSA-N 362.425 4.926 0 50 FJAA Cc1ccc(-n2cc(CN[C@H](C)c3cnn(-c4ccccc4)c3C)cn2)cc1 11766153 LIUPYQIAWNWNKU-GOSISDBHSA-N 371.488 4.526 0 50 FJAA C[C@H]1CN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C[C@@H](C)O1 12463310 BHSQKRRRFNEPQQ-TXEJJXNPSA-N 359.882 4.625 0 50 FJAA Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(C)C)cs1 17076354 MUZSDCACSRVFCU-UHFFFAOYSA-N 372.519 4.627 0 50 FJAA CO[C@H](Cn1cnc(-c2ccccc2)c1CCSC)c1cccs1 63845012 VRYVVJVXXAIKGL-QGZVFWFLSA-N 358.532 4.905 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3nc(C(C)C)no3)oc2c1 91636565 KTASUDHFZBGDQV-MRXNPFEDSA-N 367.449 4.923 0 50 FJAA COCCN(Cc1sccc1C)C(=O)Nc1cccc2nc(C)ccc12 299793370 GQFOOSFZBLCOIJ-UHFFFAOYSA-N 369.490 4.594 0 50 FJAA CC[C@H](C)n1nc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1C 330730705 IGWUTQCWNIZXKW-SWLSCSKDSA-N 362.543 4.884 0 50 FJAA COc1cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cc(OC)c1C 440702284 DHFIZQJPIULVDD-UHFFFAOYSA-N 367.367 4.759 0 50 FJAA O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@H]1CCc1cccs1 952988920 AIOSQNBJMFQKGY-SFHVURJKSA-N 365.502 4.561 0 50 FJAA Cn1cc(CNC[C@H]2CCC[C@H]2c2ccccc2)c(-c2cccc(F)c2)n1 1875306938 QJVLYHNQCOGMHZ-KNQAVFIVSA-N 363.480 4.900 0 50 FJAA O=C(Nc1cccc2ncccc12)c1cc(Br)ccc1Cl 680111 QNINADJFFSWCKI-UHFFFAOYSA-N 361.626 4.903 0 50 FJAA CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 713381 PVVZFZIFHYSGPA-UHFFFAOYSA-N 365.260 4.632 0 50 FJAA C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4)c23)C1 873229 TUXJXZIZFKUSTA-LBPRGKRZSA-N 369.515 4.547 0 50 FJAA CCc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 1140426 MFSGVFFNQZCRKC-OUKQBFOZSA-N 360.413 4.746 0 50 FJAA CCc1cc2c(=O)c(Oc3ccc(Cl)cc3)coc2cc1OC(C)=O 1155826 OSOCQZYXFTXGKR-UHFFFAOYSA-N 358.777 4.726 0 50 FJAA O=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1c(Cl)cccc1Cl 1397711 QGQKVIFHTRYKRH-LLVKDONJSA-N 353.636 4.655 0 50 FJAA CC(C)CCN(CCOC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 2495462 PSTKUYLBLQUWFZ-UHFFFAOYSA-N 369.465 4.815 0 50 FJAA Cc1ccc(CN2CCC(CN(C)Cc3ccc(OC(C)C)cc3)CC2)o1 11843234 BUJDGHKWFJFSCD-UHFFFAOYSA-N 370.537 4.719 0 50 FJAA COc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 11912191 AWEPPBSSRJCQGI-SFHVURJKSA-N 365.452 4.604 0 50 FJAA c1ccc(Cn2cc(CN3CCCC3)c(-c3cc4ccccc4o3)n2)cc1 72408255 CXZYOXWVIJTDLR-UHFFFAOYSA-N 357.457 4.940 0 50 FJAA CC(C)(C)OC(=O)n1c([Si](C)(C)C)cc2cccc(Br)c21 208352428 MFYKZXGKVWEXOL-UHFFFAOYSA-N 368.347 4.732 0 50 FJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1c(F)cccc1Cl)N2 239403207 RQAYLZVUULMIHY-GMQMWVTBSA-N 371.839 5.474 0 50 FJAA C[C@H](Nc1ccc(N2C[C@@H]3CC[C@H](C2)O3)cc1)c1ccc(C(F)F)nc1 1875267216 PLOWQIIQAQTXNJ-DOPJRALCSA-N 359.420 4.560 0 50 FJAA COC(=O)c1ccc2nc(N3CCCC[C@H]3c3ccc(F)cc3F)oc2c1 1875307260 LVQPPOFTGXYWNC-KRWDZBQOSA-N 372.371 4.624 0 50 FJAA CC(C)c1cc(O)cc(CN[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)c1 1875344210 HEELDUYVJGTAAX-IGABQKFOSA-N 365.517 4.989 0 50 FJAA Cc1ccccc1OCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 1164704 GTIVNJVEMYPPSB-HSZRJFAPSA-N 360.409 4.541 0 50 FJAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 1217698 JSHOUFVMKURDTP-UHFFFAOYSA-N 351.349 4.659 0 50 FJAA O=C(Nc1cccc(Cl)c1)N1CCC(c2cc(-c3ccco3)[nH]n2)CC1 1403400 OBNJGWISHAISPU-UHFFFAOYSA-N 370.840 4.735 0 50 FJAA Cc1ccc(O[C@H](C)c2nc(-c3ccc(Br)o3)no2)cc1C 1421819 KVSVCPIFIHSMES-LLVKDONJSA-N 363.211 4.849 0 50 FJAA CCC[C@H]1C[C@H]1C(=O)N(CC)CC1CCN(CCc2ccccc2C)CC1 11818658 IRSMNIUGZNMUCS-XZOQPEGZSA-N 370.581 4.534 0 50 FJAA c1ccc(-c2ncc(CN3CC[C@@]4(CCCN(CC5CC5)C4)C3)s2)cc1 11842951 FKZVNBVGRXBNEP-JOCHJYFZSA-N 367.562 4.508 0 50 FJAA CC(C)CCCN1CC[C@@H](N2CCC(c3ccccc3)CC2)CCC1=O 12041516 KEDSDFDKXGCHCW-QFIPXVFZSA-N 356.554 4.683 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)cc3C)s2)cc1 17124062 QUSAMXSWOZSTRQ-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccc(C)c(C)c2n1 19745806 SPGRUECUKFZMTI-CQSZACIVSA-N 350.384 4.575 0 50 FJAA O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1ccccc1F 22458238 GHHRXNUORJKFMG-UHFFFAOYSA-N 373.387 4.719 0 50 FJAA COc1cccc2c(C)cc(N3CCC[C@@H](c4nccn4C(C)C)C3)nc12 95374752 HMHYKDUVLYDRCG-QGZVFWFLSA-N 364.493 4.713 0 50 FJAA Cc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)nc3C)cs2)c(C)c1 125468389 UFKFIEYCORBKEZ-UHFFFAOYSA-N 351.475 5.000 0 50 FJAA C[C@@H](c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 229797654 CGFWEOJYWXJTOX-WMLDXEAASA-N 369.415 4.955 0 50 FJAA Cc1cc(C)cc(CSCC(=O)N(C)[C@H](c2ccccn2)C2CC2)c1 952986964 HLBRWXWVCZHZDF-NRFANRHFSA-N 354.519 4.541 0 50 FJAA Cc1ccc(C)c(NC(=O)CSCc2ccccc2Br)c1 1179131 UOICJOBNYVWPIR-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1 1181081 GIJQZDKTQYEHOV-VQHVLOKHSA-N 351.258 4.520 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1cccc(C(F)(F)F)c1 5068562 YSLYYEZEAQHCGL-UHFFFAOYSA-N 374.156 4.729 0 50 FJAA Cc1cc(C)cc(-n2c(S)nnc2CSCc2ccccc2C)c1 6401663 VJWOKMUPPFSOTH-UHFFFAOYSA-N 355.532 4.915 0 50 FJAA Cn1ccnc1Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18250948 CZYYFUXPXVBTSM-UHFFFAOYSA-N 367.861 4.733 0 50 FJAA CC(=O)c1cc(Cn2ccc(-c3cccc(-c4ccnc(C)n4)c3)n2)cs1 20909797 RASXDGJDHZPUIF-UHFFFAOYSA-N 374.469 4.628 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nn1 72437660 WGNZWUXCJYWHFY-UHFFFAOYSA-N 355.397 4.983 0 50 FJAA Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)on1 95524814 NFYPPOBZIVNNRG-NRFANRHFSA-N 363.461 4.784 0 50 FJAA O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1nc(-c2ccccc2)no1 169760452 XCYWABBFAQDIMS-INIZCTEOSA-N 371.799 4.506 0 50 FJAA Cc1nn(C)cc1-c1cccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c1 299779260 UUVFNQNKJVAONK-JOCHJYFZSA-N 359.473 4.545 0 50 FJAA O=C(c1cnc(-c2c(F)cccc2F)s1)N1CC=CCC12CCCC2 2325826818 NFUBSJHQNNDRDG-UHFFFAOYSA-N 360.429 4.803 0 50 FJAA CN(C(=O)N1CCCC[C@@H]1c1ccccc1Br)C1CCC1 2325828354 FEMKIQMGRJMCJC-MRXNPFEDSA-N 351.288 4.580 0 50 FJAA CC1(C)CCC[C@@](C)(NC(=O)c2csc(Cc3cccc(F)c3)n2)C1 2325829687 PSYVVNYQSSUUIQ-HXUWFJFHSA-N 360.498 4.962 0 50 FJAA COC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 1240001 YOIKQUDYLJKFRV-UHFFFAOYSA-N 371.396 4.533 0 50 FJAA Cc1ccc(Cl)c(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)c1 2798222 YOZFAGAGKARXER-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3nccs3)c(C)o2)cc1C 11815132 CFEMDCRTPRZVSA-ZDUSSCGKSA-N 357.479 4.617 0 50 FJAA COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13746217 VRPGXBJGYKQGAB-CQSZACIVSA-N 354.450 4.653 0 50 FJAA O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1c1ccc(F)cc1 35476531 UOVCKDRZIFVNOI-INIZCTEOSA-N 363.230 4.957 0 50 FJAA Fc1ccc(CC[C@H]2CCCN(c3cnc4ccccc4n3)C2)c(F)c1 72425762 TUSJBELHQOOLNI-OAHLLOKOSA-N 353.416 4.757 0 50 FJAA CCN(CCOC)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 72431358 WJZWMCKPNJLOFA-UHFFFAOYSA-N 355.526 4.603 0 50 FJAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)C2)n1 91434739 CGSNGMDBZXTVDM-OAHLLOKOSA-N 369.852 4.501 0 50 FJAA CCN(Cc1ccccc1Cl)C(=O)c1ccc2cc(OC)ccc2n1 170598592 GAEFPVRJPSRHCS-UHFFFAOYSA-N 354.837 4.559 0 50 FJAA Cc1nnc(-c2ccc(NC(=O)N[C@@H]3CCCCc4ccccc43)cc2)o1 170650628 MIAPXGYUUXTFKX-LJQANCHMSA-N 362.433 4.634 0 50 FJAA CCOc1ccc(-c2ccc(CN3CCC[C@H](c4ccncn4)C3)o2)cc1 216194592 OKWWYQAERVTQFR-SFHVURJKSA-N 363.461 4.515 0 50 FJAA COc1cc2c(cc1C(C)=O)[C@@H]1CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@H]1CC2 239173864 OVPJRYHYLMZUJV-LCHGUAGMSA-N 370.489 4.686 0 50 FJAA O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)[C@@H]1CCCOCC1 365990437 UQJDRRUTBPKFOZ-CYBMUJFWSA-N 369.852 4.639 0 50 FJAA O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CC2(CCC2)C[C@H]1C(F)(F)F 1875408246 RLESAGKOLMKXOW-OAGGEKHMSA-N 355.375 4.653 0 50 FJAA O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 643516 BFEOFWODCUSMGM-UHFFFAOYSA-N 371.889 4.731 0 50 FJAA Cc1ccccc1N[C@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl 824901 MTFYKRYBPFVMLN-CYBMUJFWSA-N 363.697 4.595 0 50 FJAA CC(C)(C)c1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 1057738 AKRQRNMQUGBHHO-UHFFFAOYSA-N 356.510 4.621 0 50 FJAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(Cl)(Cl)Cl 1185824 FTQWJPNJYVGEFZ-UHFFFAOYSA-N 354.624 4.539 0 50 FJAA Cc1ccc(CSCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 2855039 QRSYJRVIZIBOHY-QGZVFWFLSA-N 359.560 4.834 0 50 FJAA CCc1noc(C)c1C(=O)Nc1cc2oc3ccccc3c2cc1OC 13016185 VQXQVLYTTBJMFL-UHFFFAOYSA-N 350.374 4.706 0 50 FJAA O=C(c1ccncc1)N(Cc1ccc(OC[C@@H]2CC=CCC2)cc1)C1CC1 14994187 SALZDFUKAIYPEY-LJQANCHMSA-N 362.473 4.622 0 50 FJAA CN(C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 96132149 GCSYYZTYVVEROY-QGZVFWFLSA-N 371.456 4.566 0 50 FJAA COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([C@@H]2CCCO2)s1 97773012 FJBBKPMMIUSJMF-HNNXBMFYSA-N 365.882 4.534 0 50 FJAA CCCC[Sn](CCCC)(CCCC)c1ncccn1 169811567 WTFFOOAJSDVASL-UHFFFAOYSA-N 369.141 4.533 0 50 FJAA COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1 217589462 VZTVTSICPINUNG-UHFFFAOYSA-N 370.836 4.650 0 50 FJAA Cc1ccsc1-c1cccc(C(=O)N(C)Cc2nc(C(C)C)no2)c1 299765064 UDUXYYLICAALCS-UHFFFAOYSA-N 355.463 4.502 0 50 FJAA CC(C)c1nc(CN(C)C(=O)c2ccc(-c3ccncc3F)cc2)cs1 426425481 RQBBVMSIROVJBV-UHFFFAOYSA-N 369.465 4.740 0 50 FJAA Cc1cccc(COc2ccc([C@H](C)NC(=O)C[C@H]3CCCCO3)cc2)c1 1352489244 GGJCZOINSYYAOO-PGRDOPGGSA-N 367.489 4.710 0 50 FJAA OCc1ccccc1C1CCN(Cc2cccc(-c3ccncc3)c2)CC1 2325749382 MIVPOPDZDBJOCC-UHFFFAOYSA-N 358.485 4.621 0 50 FJAA CCC[C@@H](N[C@H]1CCN(C(=O)CC)C1)c1ccc(Oc2ccccc2)cc1 2325822307 PTLFSIMYGFSKBR-SIKLNZKXSA-N 366.505 4.921 0 50 FJAA Cc1ccc([C@@H]2CCCC[C@H]2C(=O)Nc2ccc3nc(O)oc3c2)cc1 2325862120 JYALGFSWCPSJJW-DLBZAZTESA-N 350.418 4.754 0 50 FJAA CCOc1ccc(NC(=S)NCc2ccc(Cl)c(Cl)c2)cc1 1118506 FDVGTMFCKWDYQE-UHFFFAOYSA-N 355.290 4.879 0 50 FJAA COc1cccc(NC(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 1247023 PAVLPFVKHAIJGS-UHFFFAOYSA-N 360.826 4.511 0 50 FJAA FC(F)(F)c1ccccc1-n1c(S)nnc1-c1ccc2ccccc2n1 1264666 JEGMLOGEZFLSSG-UHFFFAOYSA-N 372.375 4.790 0 50 FJAA CCN(CC)C(=S)SCC(=O)n1c2c(c3ccccc31)CCCC2 2189932 WGCUMGBNCDTWTO-UHFFFAOYSA-N 360.548 4.520 0 50 FJAA Cc1ccc(Cl)c(OCn2ccc(C(=O)Nc3cccc(C)c3C)n2)c1 2798153 VDAMDDOQSYIVPB-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA O=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl 2998047 WWHSQDXYEHQXGL-UHFFFAOYSA-N 374.017 4.788 0 50 FJAA COc1ccc(C(=O)CCNc2ccc(OC(F)(F)Cl)cc2)cc1 4708327 NLGMKQBBLHRXAP-UHFFFAOYSA-N 355.768 4.548 0 50 FJAA Fc1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 13330914 BTSIFRVQXUYSIT-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA Cc1ccc2c(c1)CN(Cc1cccc(O)c1)C[C@@H](c1ccsc1)O2 14994811 ONKXAGIJFUJGMC-NRFANRHFSA-N 351.471 4.898 0 50 FJAA Cc1ccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 19300636 OBANDSKBWSHPTK-IBGZPJMESA-N 353.441 4.716 0 50 FJAA CCCN(C)Cc1ccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)cc1 63848765 YHSUHYQWHTZNIC-UHFFFAOYSA-N 367.880 4.599 0 50 FJAA Cc1cc(-c2c(C)nn(-c3ccccc3)c2O)n(-c2ccc(Cl)cc2)n1 100334534 HOZVHVAMHZKRHU-UHFFFAOYSA-N 364.836 4.701 0 50 FJAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)/C=C/c3cncc(F)c3)c2)C1 170621568 IBRYFCFLFLILDR-IVBNWWOISA-N 368.452 4.968 0 50 FJAA Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C)s1 248926509 XGWIKXVSWFCGDJ-POZUXBRTSA-N 358.507 4.645 0 50 FJAA C[C@H](CCCc1cccnc1)NC(=O)NCc1cccc2ccsc12 1875307104 KPLPBHDUSMTVMF-OAHLLOKOSA-N 353.491 4.507 0 50 FJAA Cc1ccccc1C(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 808677 USNDOCNLESFCJG-OAHLLOKOSA-N 358.652 4.500 0 50 FJAA CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)[C@@H](C(=O)O)C1 971761 MBSZQOGOVMXQJX-MSOLQXFVSA-N 363.413 4.972 0 50 FJAA O=C(CCCc1ccccc1)Nc1scc2c(=O)oc3ccccc3c12 1088179 SMRVBGUCWUURLY-UHFFFAOYSA-N 363.438 4.969 0 50 FJAA COc1ccccc1NC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2 2558466 MRGLRACKDOIYEM-LBPRGKRZSA-N 358.507 4.742 0 50 FJAA Cc1ccc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C)c1 2763451 JYEOGWMIVOPPDC-UHFFFAOYSA-N 369.358 4.973 0 50 FJAA C[C@@H](NC(=O)C1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1 8244084 GXRHKVSLMXCSIW-LJQANCHMSA-N 372.512 4.929 0 50 FJAA Cc1ccc2cccc(OCCOCCOc3cccc(Cl)c3)c2n1 8323598 PLMWAOXDMVPFEI-UHFFFAOYSA-N 357.837 4.671 0 50 FJAA CC(C)(C)c1csc(NC(=O)Nc2ccccc2Br)n1 13746461 JKYQVBKSTDXKJJ-UHFFFAOYSA-N 354.273 4.847 0 50 FJAA CC(=O)c1ccc(-c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)cc1 67757112 MXLXYNXARHPZLG-UHFFFAOYSA-N 370.456 4.808 0 50 FJAA O=C(c1cscn1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71721565 MZSKDSWBYGXNDN-ZDUSSCGKSA-N 368.424 4.647 0 50 FJAA O=C(Nc1ccccc1)c1ccc(Nc2ccccc2Br)nc1 243082619 IRQMGCDWMBSUOG-UHFFFAOYSA-N 368.234 4.840 0 50 FJAA 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 257348695 IAAONRVTBJWTGZ-OFYVVLSASA-N 374.521 4.502 0 50 FJAA CCOC(=O)CN(c1ccccc1)c1cccc(OCc2ccccc2)c1 261508027 PAEUJZBUKPGFKH-UHFFFAOYSA-N 361.441 4.967 0 50 FJAA C[C@@H](c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1)N1CCCCC1 426668959 HJTCCWVRSXWQKW-SFHVURJKSA-N 365.521 4.855 0 50 FJAA Cc1ccc(C)c([C@H](C(=O)N[C@H](C)CCc2ccc(O)cc2)C(C)C)c1 1875342443 RJENFSGSTUTAAT-XMSQKQJNSA-N 353.506 4.886 0 50 FJAA CCC[C@H](NS(=O)(=O)c1c(C)sc2ccccc12)C1CCCC1 1875357222 XMPYRNKSENBFFT-INIZCTEOSA-N 351.537 4.847 0 50 FJAA Fc1ccc2nc(CNc3ccc(CN4CCSCC4)cc3)sc2c1 2325745582 YTBMCWDYVNYIBN-UHFFFAOYSA-N 373.522 4.596 0 50 FJAA O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccc(-c2ccccc2)cc1 781943 HNCPZJNMSVIIIB-UHFFFAOYSA-N 369.420 4.804 0 50 FJAA CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)cc1 991652 PNIFIMASWFTOON-UHFFFAOYSA-N 355.434 4.970 0 50 FJAA CCCc1cc(=O)oc2cc(OC(=O)c3cccc(OC)c3)c(Cl)cc12 1132529 BJIDZTGKYHHLDN-UHFFFAOYSA-N 372.804 4.627 0 50 FJAA COc1ccc(-c2c(C(F)(F)F)oc3c(C)c(OC)ccc3c2=O)cc1 1153868 NXTSGIJJCIIIIK-UHFFFAOYSA-N 364.319 4.804 0 50 FJAA CCCSc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 2273055 VFRSAYSIZJBKDT-UHFFFAOYSA-N 363.295 4.991 0 50 FJAA O[C@H](COc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21 2323946 CPLWIKTWSIDZHE-INIZCTEOSA-N 351.833 4.888 0 50 FJAA CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 2877167 AHHZFGAIPWJGNU-UHFFFAOYSA-N 365.501 4.738 0 50 FJAA CCOc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OC 2886203 WYNQRZARKBHRMU-CYBMUJFWSA-N 364.283 4.707 0 50 FJAA C/C=C/c1ccc(OCCCCOc2ccc(C(=O)OC)cc2)c(OC)c1 2985834 QSBJJKKYDVIXOH-QPJJXVBHSA-N 370.445 4.753 0 50 FJAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 4667201 YVKDYRWRAQGPAG-INIZCTEOSA-N 373.518 4.657 0 50 FJAA Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3cccnc3)ccc12 16993283 KOAUCDGHNQTQGK-UHFFFAOYSA-N 356.381 4.620 0 50 FJAA biogenic O=C(Nc1nc2ccc(Br)cc2o1)Nc1ccccc1Cl 22064456 XPRWCYJEUGNIBJ-UHFFFAOYSA-N 366.602 4.888 0 50 FJAA COc1cccc(-c2ccc(N3CCC(NCc4ccncc4)CC3)cc2)c1 23428676 LEVDFABZPBGOHF-UHFFFAOYSA-N 373.500 4.516 0 50 FJAA C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 44934154 FULQOPCNDBFNLU-OAHLLOKOSA-N 374.887 4.569 0 50 FJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccccc2)C1 71756911 TZKYSKNPOBSRJF-IBGZPJMESA-N 359.473 4.562 0 50 FJAA Cc1ccc(C)c(-n2ncc(N[C@@H](c3ccccc3)c3ncc[nH]3)c2C)c1 446914917 QQCMCIMSJJWLFM-NRFANRHFSA-N 357.461 4.722 0 50 FJAA O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1F 497347476 MSQKQYFTIMEQQF-UHFFFAOYSA-N 360.841 4.575 0 50 FJAA CN(Cc1cc(O)ccc1Cl)[C@H](CO)c1cccc(Cl)c1Cl 1473623802 VWLSEXRIHATGCZ-OAHLLOKOSA-N 360.668 4.518 0 50 FJAA O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccncc1 2325705107 GDKBSHBFAZSKAU-UHFFFAOYSA-N 374.831 4.840 0 50 FJAA CC(=O)Nc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 953729 KPUWRLMHKHNQLL-UHFFFAOYSA-N 358.441 4.806 0 50 FJAA FC(F)(F)c1cccc(NC(=S)NCCc2ccc(Cl)cc2)c1 1109075 WNXNBYZXZZJBOI-UHFFFAOYSA-N 358.816 4.888 0 50 FJAA COc1ccc(Cl)cc1-n1nc2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 1421397 LTHWDDKCDVJYRW-HNNXBMFYSA-N 366.848 4.755 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1cc(OC)ccc12 2532651 AVHUSVRQZNCSKB-UHFFFAOYSA-N 373.408 4.509 0 50 FJAA O=C(COc1ccc(Cl)cc1Br)NC1CCCCCCC1 2846407 YBGLHBQXSDKWDV-UHFFFAOYSA-N 374.706 4.710 0 50 FJAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(O)cc2)cc1 5091279 ACVVAKLXFYUMRB-FYYLOGMGSA-N 356.425 4.943 0 50 FJAA C/C=C(\C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12151177 CRSXUPZQCQXXJO-JFCUDYFTSA-N 359.473 4.902 0 50 FJAA COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC2 19608345 YBWZASUDKSNFAS-GOSISDBHSA-N 352.261 4.588 0 50 FJAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H]1c1ccc(Cl)cc1 21525309 YFDOWQUNAGZWTQ-SFHVURJKSA-N 352.821 4.972 0 50 FJAA CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2ccc(-c3ccccn3)cc2)C1 65421754 ZETUUFUZNMDLIL-URVUXULASA-N 352.478 4.520 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1-c1nc(CCc2ccccc2)n[nH]1 67724903 PDCASDYTYGNDPG-UHFFFAOYSA-N 364.836 4.874 0 50 FJAA CCO[C@@H](C)CN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72481259 IVKCFJRIIUCEQB-AWEZNQCLSA-N 370.880 4.985 0 50 FJAA Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 100716666 OMWCQWMAEKXCGZ-INIZCTEOSA-N 361.207 4.780 0 50 FJAA CCc1cccc2c(=O)cc(C(C)C)n(CCCOCC(F)(F)F)c12 225655272 MEZXMCHEOWFVOT-UHFFFAOYSA-N 355.400 4.656 0 50 FJAA Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 638768 DZGBAIZUANLMRW-UHFFFAOYSA-N 358.466 4.986 0 50 FJAA Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 800945 BFCVRQDKSZCUEU-UHFFFAOYSA-N 365.429 4.551 0 50 FJAA Cc1ccc(O)c([C@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c1 1161787 SJWBLBROXZZCCA-SIKLNZKXSA-N 373.496 4.970 0 50 FJAA COc1ccccc1Nc1nc(-c2ccc(C)c(C)c2)c(CC(=O)O)s1 1177694 DLFYCZQEPGNDOV-UHFFFAOYSA-N 368.458 4.806 0 50 FJAA CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4cccc(C)c4C)cc3)C(=O)[C@@H]2C1 1228250 YBMWWYBARGBULY-VQTJNVASSA-N 361.441 4.941 0 50 FJAA O=C(NCc1ccccc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 1340549 WGVQJXZMMGIRHY-UHFFFAOYSA-N 371.362 4.774 0 50 FJAA O=C(CCSc1ccc(Br)cc1)c1ccc2c(c1)OCO2 2522090 LEYRLOVVUKJAKW-UHFFFAOYSA-N 365.248 4.543 0 50 FJAA C[C@H](NC(=S)Nc1ccc(Br)cc1Cl)c1ccncc1 2853821 ONOAGPCVEVIFMJ-VIFPVBQESA-N 370.703 4.545 0 50 FJAA O=C(Nc1ccccn1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 2867653 GPKTWYRSEFETLX-UHFFFAOYSA-N 360.804 4.598 0 50 FJAA S=C(NCCOc1ccccc1Cc1ccccc1)Nc1ccccc1 2869992 DZRHMYRWNMYFRM-UHFFFAOYSA-N 362.498 4.643 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3cccc(C)c3C)n2)cc1 13330798 UODGAXDQYBRQIE-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA Fc1ccc(Cn2ccc(NC(=S)Nc3cccc(Cl)c3)n2)cc1 13330874 FFXFHAJYHYXFMH-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA Cc1ccc(C)c(NC(=S)NNC(=S)Nc2ccc(C(C)C)cc2)c1 13518725 IHKKRACOXUJHMD-UHFFFAOYSA-N 372.563 4.615 0 50 FJAA CSc1ccccc1CN(C)N1C(=O)[C@H](c2ccccc2)c2ccccc21 44125102 BOJQGGSQIPSJRB-JOCHJYFZSA-N 374.509 4.934 0 50 FJAA OC1CCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)CC1 72412119 RFDWOBJLZLQWKZ-UHFFFAOYSA-N 370.855 4.651 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CCCC[C@@H]1c1nccs1 82108957 MYIWHRKEBRSJPB-GFCCVEGCSA-N 361.517 4.696 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(C[C@@H]3CC=CCC3)C2)c(F)c1 216169961 XIOQELYSBBYAKV-CVEARBPZSA-N 357.448 4.891 0 50 FJAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239412492 STZBREGCNXRMRU-DSEDUUINSA-N 365.860 4.578 0 50 FJAA 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 253501634 QXKRUGDXPWHXHL-NUNPFQGQSA-N 374.521 4.813 0 50 FJAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2ccccc12 408560063 ZZBCXANLBFDDQC-UHFFFAOYSA-N 361.850 4.693 0 50 FJAA Clc1cc(Cl)cc(CCN2CCC(OC[C@@H]3CCCCO3)CC2)c1 447306271 RZQZJQOCVLGIFX-IBGZPJMESA-N 372.336 4.586 0 50 FJAA CC(C)c1ccccc1Oc1ccccc1C(=O)NCC1CCOCC1 1875259048 XMQUEIQSEGXPHZ-UHFFFAOYSA-N 353.462 4.759 0 50 FJAA COc1ccc(-n2cc(CNc3ccc(-c4ccco4)cc3F)cn2)cc1 1875317067 OHCGSPRMRUMDEU-UHFFFAOYSA-N 363.392 4.892 0 50 FJAA CCc1cccc(Oc2ccc(NC(=O)/C=C/c3cncs3)cn2)c1 2325748893 LOWSJYUBNGSRSS-BQYQJAHWSA-N 351.431 4.545 0 50 FJAA O=C(C[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 868797 QWDFOVGGIOSCRM-LJQANCHMSA-N 374.458 4.675 0 50 FJAA O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 1106964 IQUOSVSGIVEEMC-UHFFFAOYSA-N 355.484 4.780 0 50 FJAA O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1ccccc1Cl 1188240 WZABBERTHXBJBY-OQLLNIDSSA-N 362.813 4.585 0 50 FJAA CCCNC(=O)c1cc(-c2ccc(C)cc2)c2cc(OC)c(OC)cc2c1 2298215 YUEMVVUFMURWDE-UHFFFAOYSA-N 363.457 4.972 0 50 FJAA CCOc1ccccc1OCCCOc1cccc(Br)c1 2985625 RMXDQVKOMOUPRX-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA CCOC(=O)C1CCN(Cc2ccc3c(c2)c2ccccc2n3CC)CC1 3109340 IGAIKBKXNJIDRS-UHFFFAOYSA-N 364.489 4.590 0 50 FJAA Cc1cccc(C)c1NC(=O)CSCc1cccc(Br)c1 4610404 CFWSRKFSVROAEJ-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA CN(C(=O)c1cccc(NC(=O)CCc2ccccc2)c1)c1ccccc1 12138429 HDDKPNBWFUWALX-UHFFFAOYSA-N 358.441 4.535 0 50 FJAA CN(Cc1ccccc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 12372814 NLLRFTVMSPBYDW-UHFFFAOYSA-N 369.468 4.882 0 50 FJAA O[C@H](c1ccccc1)c1nc2ccccc2n1CCCOc1ccccc1 12376020 LLBALSADRKNTJI-JOCHJYFZSA-N 358.441 4.587 0 50 FJAA Cc1cc(C)cc(-n2c(S)nnc2-c2cc(Br)cs2)c1 17075185 ACNLIUDSESLFJT-UHFFFAOYSA-N 366.309 4.664 0 50 FJAA Cc1ccncc1C(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 55054374 ZTLNUIIVCXGWOD-UHFFFAOYSA-N 359.429 4.511 0 50 FJAA CCCCOc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 55292274 CALFGIRIPVFEOJ-UHFFFAOYSA-N 358.913 4.841 0 50 FJAA c1ccc(COCc2c(-c3ccccc3)ncn2Cc2ccccn2)cc1 65372948 MKIXGXFMYMBRNC-UHFFFAOYSA-N 355.441 4.710 0 50 FJAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1onc2ccccc12 67642941 VGNRZYCGYYWVLU-UHFFFAOYSA-N 373.412 4.562 0 50 FJAA COc1ccccc1Oc1ccccc1NC(=O)N(C)C[C@@H]1CCCCO1 96139135 QMDRAILHYHXDEL-INIZCTEOSA-N 370.449 4.520 0 50 FJAA CC(=O)N(Cc1ccc(NC(=O)Nc2ccc3cc[nH]c3c2)cc1)C(C)C 194350213 HTAKDYWTPPJKBE-UHFFFAOYSA-N 364.449 4.569 0 50 FJAA O=C(NCc1ccc(C2CC2)cc1)c1ccccc1NCc1cccnc1 252482449 DFRHHJDILCCBCJ-UHFFFAOYSA-N 357.457 4.501 0 50 FJAA CC(C)n1ccnc1-c1cccc(C(=O)N2CCCC[C@H]2c2cccnc2)c1 299779094 UBRONHHFGPOIEV-NRFANRHFSA-N 374.488 4.893 0 50 FJAA Cc1cnc([C@H](C)NC(=O)NC2CCC(c3ccc(F)cc3)CC2)s1 331534600 XJSINFZDYOEQQG-KTAKPFMOSA-N 361.486 4.677 0 50 FJAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 426734120 PQKDBFGJXWKWRG-SFHVURJKSA-N 359.416 4.663 0 50 FJAA CC(=O)[C@@H](Cc1ccc(F)cc1F)Sc1nc(C)nc2ccccc12 436123500 HPHSQTRECAOBAR-GOSISDBHSA-N 358.413 4.509 0 50 FJAA CN(CCCOc1ccccc1Cl)C(=O)c1cc(-c2ccccc2)no1 952985225 ADSITUISEAOCJX-UHFFFAOYSA-N 370.836 4.536 0 50 FJAA O=C(N[C@H]1CCC[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2c(O)n1 1875260419 BOLVFRXSXSGQNA-WMZOPIPTSA-N 366.848 4.660 0 50 FJAA Cc1sc(NC(=O)C2CC2)c(C(=O)OC(C)C)c1-c1ccc(F)cc1 680065 PTBNSPBXNAGNHF-UHFFFAOYSA-N 361.438 4.776 0 50 FJAA COc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 991684 LZOWAGGXTWTACQ-UHFFFAOYSA-N 371.396 4.665 0 50 FJAA O=C(Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1cccs1 1086068 ZSYZGQACUGKIGY-UHFFFAOYSA-N 365.389 4.857 0 50 FJAA COc1ccc(OC)c(NC(=S)NC2CCC(C(C)(C)C)CC2)c1 1119855 MIVUMSDRIXGWPW-UHFFFAOYSA-N 350.528 4.595 0 50 FJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 1158443 AIQSAPOJYJMNDS-HNNXBMFYSA-N 357.866 4.986 0 50 FJAA O=C(Nc1cccc(I)c1)c1ccc2ccccc2c1 1179224 WJFMPRVCPLFSST-UHFFFAOYSA-N 373.193 4.697 0 50 FJAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1ccccc1 1232369 LZFUFZZJSKHZAQ-UHFFFAOYSA-N 368.502 4.505 0 50 FJAA Cc1ccc(OCCSc2nc3ccccc3n2CCO)c(C(C)C)c1 3877211 XYOHUYVYMGDCII-UHFFFAOYSA-N 370.518 4.632 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)s1 12716134 NPHHCGLBOGJHLE-KRWDZBQOSA-N 363.482 4.945 0 50 FJAA COC(=O)c1sccc1Oc1ccccc1NC(=O)c1ccccc1F 12950981 BAWJEIWNOGEHEB-UHFFFAOYSA-N 371.389 4.718 0 50 FJAA Cc1onc(-c2ccccc2)c1-c1n[nH]c2c1CN(CC1CCCC1)CC2 19224970 ANYBRPZBKWQRJU-UHFFFAOYSA-N 362.477 4.588 0 50 FJAA CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCCCC(=O)O 35876753 JUBMLVBCKBUAQW-IYGAUSGGSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC[C@@H]3c3cc(C)on3)c2c1 95499683 HXGMUBMCHWZBTJ-HXUWFJFHSA-N 363.461 4.824 0 50 FJAA Cc1nn(C)c(C)c1CN(Cc1ccc([C@@H]2CCCCO2)s1)C1CC1 222583788 KJSPORMENIPDDF-IBGZPJMESA-N 359.539 4.505 0 50 FJAA C[C@@H]1CCCCN1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)C1 426573341 XNPWYUNDMVUINS-QGZVFWFLSA-N 373.500 4.534 0 50 FJAA Cc1ccc2[nH]c(C(=O)Nc3ccc(OC[C@@H]4CCCCO4)cc3)cc2c1 825206822 XBYJORFFXHUGHG-IBGZPJMESA-N 364.445 4.677 0 50 FJAA CCCN1CCC[C@H](n2ccnc2-c2cccc(CC(F)(F)F)c2)C1 1857712234 UEGBVOIOWIEQOV-KRWDZBQOSA-N 351.416 4.702 0 50 FJAA CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(C(C)(C)C)n1 1875331642 QZDWMRBSTLPTLT-ZDUSSCGKSA-N 353.260 4.906 0 50 FJAA O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 627726 QNLOYSKTHXWROB-UHFFFAOYSA-N 356.377 4.722 0 50 FJAA biogenic Cc1ccc2nc(-c3cccc(Br)c3)c(C)c(C(=O)O)c2c1 650723 IXUATSPHHMHIJW-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA COc1ccc([C@H](C)NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 1142093 AXCQIOOIUXTNMZ-SFHVURJKSA-N 359.469 4.879 0 50 FJAA Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 1230577 JQALEWWCAVYQEW-UHFFFAOYSA-N 350.654 4.756 0 50 FJAA O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1233145 HWLCLKRKRCCONE-UHFFFAOYSA-N 364.828 4.898 0 50 FJAA COc1ccc(OC)c(NC(=O)Nc2ccccc2Cc2ccccc2)c1 2857204 QUDIMUZVIIFWPT-UHFFFAOYSA-N 362.429 4.939 0 50 FJAA Cc1ccc(-c2noc(CN(C(=O)c3cc(C)ccc3C)C(C)C)n2)cc1 4958793 IJZVIBMCVZGRIW-UHFFFAOYSA-N 363.461 4.713 0 50 FJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 5610436 XRYYEEDZIFKBOB-JTHBVZDNSA-N 371.440 4.723 0 50 FJAA CCN(CC)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 9045088 UHLHUIJDCHWZSF-UHFFFAOYSA-N 371.278 4.804 0 50 FJAA COC(=O)c1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1 19608795 JKMQBENCJHHPCE-UHFFFAOYSA-N 359.469 4.718 0 50 FJAA Cc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(NC2CCCCC2)n1 64801183 IJQNTSFURJWUCE-UHFFFAOYSA-N 367.497 4.868 0 50 FJAA Oc1cccc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2ccccc2)c1 65419767 XZIAIDZDVSJXBA-NRFANRHFSA-N 356.425 4.656 0 50 FJAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 67713888 MJSXHZVUUVNRRW-VQTJNVASSA-N 358.441 4.602 0 50 FJAA c1cncc(CCCN2CCc3onc(-c4cccc5ccccc45)c3C2)c1 71314902 AXWPHRPQIXCZAE-UHFFFAOYSA-N 369.468 4.881 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)c2ccc(C)nc12 96154044 UMCBUEJBJBPSKN-UHFFFAOYSA-N 360.457 4.845 0 50 FJAA O[C@H](c1ccccn1)C1CCN(Cc2cccc3c2oc2ccccc23)CC1 670447508 KINPOOHBFPDHPX-QHCPKHFHSA-N 372.468 4.927 0 50 FJAA Cn1c(C(C)(C)C)nc2cc(Nc3ccnc(Cc4ccccc4)n3)ccc21 1458304011 VQSJTXBKIRWGQH-UHFFFAOYSA-N 371.488 4.995 0 50 FJAA Cc1nnc(-c2cccc(-c3ccc(O)c(OC(F)(F)F)c3)c2)s1 1772704905 IYKLDOMWEAYAJG-UHFFFAOYSA-N 352.337 4.785 0 50 FJAA C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1125476 KTFBNDLLGXFXPT-AWEZNQCLSA-N 356.853 4.607 0 50 FJAA Cc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 1132625 JSDCBZSDISHXHN-UHFFFAOYSA-N 373.953 4.784 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 1171153 ZAXSWQUZXPDHHX-UHFFFAOYSA-N 368.477 4.875 0 50 FJAA COc1cc2c(cc1OC)-c1nnc(-c3cccs3)n1C1(CCCC1)C2 1205919 PMVRBPGFRAAYNA-UHFFFAOYSA-N 367.474 4.516 0 50 FJAA biogenic O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 1886743 JFDGNPMCICYUQB-UHFFFAOYSA-N 368.216 4.520 0 50 FJAA Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1 15799922 INRKYBZBSQMOCP-UNOMPAQXSA-N 362.454 4.664 0 50 FJAA Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 16651196 HIBJKOJASQLLJF-UHFFFAOYSA-N 364.489 4.501 0 50 FJAA CC[C@@]1(C)Cc2c(sc3[nH]c(=S)n(-c4ccccc4C)c(=O)c23)CO1 18116647 TWSTXAWADVYCCV-IBGZPJMESA-N 372.515 4.660 0 50 FJAA COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccc(F)cc1Cl 226336725 HTQRXJUHQBZRQX-GORDUTHDSA-N 371.191 4.818 0 50 FJAA O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(C2CCC2)cc1 252484753 GGPPVMSASWSYDL-UHFFFAOYSA-N 362.473 4.719 0 50 FJAA c1ccc([C@H](Nc2ncnc3c2oc2ccccc23)c2cccnc2)cc1 488016349 WVGMJJDMFBLPQF-IBGZPJMESA-N 352.397 4.973 0 50 FJAA Cc1ccc(NC2(C(=O)N(C)Cc3ccncc3C)CCCCC2)cc1C 1506428812 QTCWFVPVGLYWRX-UHFFFAOYSA-N 365.521 4.780 0 50 FJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)n1 1772574337 CYKXFCSKHBWYGP-UHFFFAOYSA-N 362.348 4.777 0 50 FJAA Fc1ccc([C@@H](N[C@@H]2CCCCNCC2)c2cnc3ccccc3c2)cc1 2325758828 LXQJLHXRCQEIRH-FYYLOGMGSA-N 363.480 4.585 0 50 FJAA COc1ccc(C(=O)n2nc(C)c(Sc3ccc(C)cc3)c2C)cc1 625361 KVASQPFACXBZFA-UHFFFAOYSA-N 352.459 4.657 0 50 FJAA O=C(O)CCN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 855002 OLMDOBSZEZQBDZ-NRFANRHFSA-N 366.505 4.857 0 50 FJAA biogenic C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 1115695 MVRUQLNKRCQISG-SNVBAGLBSA-N 358.652 4.903 0 50 FJAA Clc1ccc(Cl)c(-c2nn3c(Cc4ccccc4)nnc3s2)c1 2860498 QELUNNZDLZXEMH-UHFFFAOYSA-N 361.257 4.750 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)on2)cc1 21525320 GIDNHXXMUXJGLF-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA c1ccc(CN2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1 22027645 LVQPLFYSJDDVEO-UHFFFAOYSA-N 356.513 4.636 0 50 FJAA Cc1oc(-c2ccccc2F)nc1CN1CCOc2ccc(Cl)cc2C1 55036402 XBSZQJSMRLMVOW-UHFFFAOYSA-N 372.827 4.837 0 50 FJAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC12CCCC2 67447292 LQRADPLOPPAHSV-SFHVURJKSA-N 350.462 4.687 0 50 FJAA COc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn23)cc1OC 71375603 AWQAZRCPIUIUBR-UHFFFAOYSA-N 365.820 4.734 0 50 FJAA CCOc1ccccc1CN(C)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767363 CCOHANUUULRBTI-HSZRJFAPSA-N 372.468 4.611 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CC[C@H](c2ccccc2F)C1 82098512 ADFPLEWMEBDQGB-LBPRGKRZSA-N 358.463 4.640 0 50 FJAA COc1cccnc1N(C)C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 121578697 ZUEYTSXBBWOZDJ-UHFFFAOYSA-N 356.422 4.543 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 252428292 WVWXYSKLKDXZJF-MTSZKFMLSA-N 366.288 4.684 0 50 FJAA Cc1nc([C@@H](C)NCc2ccc(-c3cccc(Cl)c3Cl)o2)n[nH]1 952989247 UGFQMOGFKQTHIW-SECBINFHSA-N 351.237 4.531 0 50 FJAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CC2(CC(C(F)(F)F)C2)C1 1875266850 YRMLUEGELXUXIP-UHFFFAOYSA-N 359.391 4.697 0 50 FJAA O=C(Nc1cncnc1)[C@@H](Sc1cccs1)c1cccc(Cl)c1 2325738044 FOTXRAYWOQTKPJ-HNNXBMFYSA-N 361.879 4.664 0 50 FJAA Clc1ccccc1-c1csc(N2CCN[C@H](c3ccccc3)C2)n1 2325759403 JHPHGABUKPUCPV-KRWDZBQOSA-N 355.894 4.614 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1ccccc1 848244 DDIYBAYJNIGWGU-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA COc1ccc2c(=O)c(Oc3ccccc3Br)c(C)oc2c1 1134909 YXWRDAMDLJDTIC-UHFFFAOYSA-N 361.191 4.665 0 50 FJAA biogenic CCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1OCC 4393960 GTAQVOQALJGHAV-UHFFFAOYSA-N 356.447 4.654 0 50 FJAA CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 4857624 PTXGTMGEBBAUTB-UHFFFAOYSA-N 372.783 4.950 0 50 FJAA COc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1OC 8817586 GVYWMYSDOWADQM-UHFFFAOYSA-N 358.441 4.963 0 50 FJAA CCC[C@@H](c1nccn1C)n1cnc(-c2ccccc2)c1-c1ccncc1 65380722 URPZBFMSSTUNJZ-IBGZPJMESA-N 357.461 4.735 0 50 FJAA FC(F)(F)[C@@H]1CN(c2cc(-c3ccccc3)nc3ccccc23)CCO1 71524022 ONMWFAVBLFJSQS-IBGZPJMESA-N 358.363 4.669 0 50 FJAA Cc1nn(C)cc1CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71708132 COMFPAJOQURGGX-MRXNPFEDSA-N 365.443 4.592 0 50 FJAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(Cl)c(Cl)[nH]1 170624996 VBKFEZWZNNCBRW-YMTOWFKASA-N 373.667 4.577 0 50 FJAA CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(N)c(OC)c1 170676244 HPXUZOPRJLPDQB-UHFFFAOYSA-N 368.458 4.657 0 50 FJAA COc1ccc2[nH]cc(C3CCN(C(=O)c4csc(Cl)c4)CC3)c2c1 190290772 UCXMCCULYAUYNE-UHFFFAOYSA-N 374.893 4.911 0 50 FJAA O=C1[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C(=O)N1c1cccc2ccccc12 239377958 OGHYAEQLPCICKY-PZOFRZDKSA-N 367.448 4.769 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H](C(C)C)O1 1857721200 DOJBYKQLEMTWFS-RHSMWYFYSA-N 357.416 4.761 0 50 FJAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CC2(CC2)c2ccccc21 1875335538 SMGAQLKTGSBBSO-UHFFFAOYSA-N 355.397 4.515 0 50 FJAA CCN1C(=O)c2cccc3c(NC(=O)c4ccc(Cl)cc4)ccc1c23 954859 MYDQDBFWMNVKLI-UHFFFAOYSA-N 350.805 4.726 0 50 FJAA CCn1c(SCc2cccc(C)c2)nc2sc3c(c2c1=O)CCCC3 2374128 SPXPZYHFHPKQPN-UHFFFAOYSA-N 370.543 4.957 0 50 FJAA CC(C)(C)[C@H]1CCc2c(C(=O)Nc3nnc(C4CC4)s3)csc2C1 2754945 CXPNNXBQEUTVCA-NSHDSACASA-N 361.536 4.880 0 50 FJAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 2836551 WJNGFTYJMXFVRA-UHFFFAOYSA-N 374.440 4.762 0 50 FJAA CC(C)c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1 4739955 NKYDHGXHHHKZOG-UHFFFAOYSA-N 366.230 4.729 0 50 FJAA CC(C)CCN(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 12317097 OCWLHTKXZOKUED-UHFFFAOYSA-N 361.898 4.834 0 50 FJAA CC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 16527072 RSEXTVRYNKLARL-KRWDZBQOSA-N 370.880 4.997 0 50 FJAA CCn1cncc1-c1c(-c2ccccc2)ncn1CCCC[C@H]1CCCO1 65528565 CLJKPTDQXYNHDS-IBGZPJMESA-N 364.493 4.783 0 50 FJAA Fc1ccc(-c2csc(N3CCC[C@@H](OCc4ccccn4)C3)n2)cc1 77323378 RMRHYUBYBREOCG-GOSISDBHSA-N 369.465 4.530 0 50 FJAA O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCCC2(CCOCC2)C1 95505416 JGGMWADJUSFSGM-UHFFFAOYSA-N 374.428 4.723 0 50 FJAA COc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C)nn2C2CCCC2)c1 96133710 MONNEVDAWJQSPM-IBGZPJMESA-N 368.481 4.684 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 253596546 SPFIKHYEPDYDPC-PFUFYFGGSA-N 360.538 4.689 0 50 FJAA CC[C@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)cc1 426689298 QSFBMVNWVCQAAB-QFIPXVFZSA-N 363.457 4.971 0 50 FJAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@H]2CCC[C@@H]21 429979117 ZGKWZUKZDDFXSY-XQFWAAQXSA-N 373.500 4.884 0 50 FJAA Cc1cc(-c2cccc(C(=O)NCC[C@H]3CCCN3C)c2)c(Cl)cc1F 534653105 LXXYMWLSWWCPJV-QGZVFWFLSA-N 374.887 4.669 0 50 FJAA CCCCSCCc1nc([C@H]2CCCO2)nn1-c1cc(C)cc(C)c1 1875349014 KFYSRDLTNAIWCR-GOSISDBHSA-N 359.539 4.811 0 50 FJAA O=C(Nc1ccc(N2CCOCC2)cc1)c1sc2ccccc2c1Cl 753587 NNFZYPWFDJVFKM-UHFFFAOYSA-N 372.877 4.644 0 50 FJAA Cc1cccc(C)c1-n1nnnc1SCc1c(Cl)cccc1Cl 1130414 MYRCUXAPZUUZAX-UHFFFAOYSA-N 365.289 4.878 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Cl 1184707 JAAQFCOLNIUFOF-UHFFFAOYSA-N 372.621 4.893 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1)Oc1ccc(Br)cc1 1904089 RNVMLOILVKEFKK-UHFFFAOYSA-N 369.642 4.867 0 50 FJAA O=C(Nc1ccccc1C(=O)O)c1ccc(CSc2ccccc2)o1 2708426 JQJRXHCNUDMIBF-UHFFFAOYSA-N 353.399 4.522 0 50 FJAA CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1 2836479 MILGFGVHADJWGW-GFCCVEGCSA-N 358.488 4.814 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1C 4842757 GRDFBVKSMPJHJJ-UHFFFAOYSA-N 358.441 4.737 0 50 FJAA O=C(CC(c1ccccc1)c1ccccc1)NCCOCc1ccccc1 6686548 UYDLOPANKQIDQG-UHFFFAOYSA-N 359.469 4.542 0 50 FJAA COc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2cccc(C)c2)C1 20201783 SLGXPNZEHDDJAT-FQEVSTJZSA-N 361.489 4.773 0 50 FJAA Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2cc3ccccc3[nH]2)cn1 67816978 GKYSWWHCDHHQRF-UHFFFAOYSA-N 365.440 4.845 0 50 FJAA CC(C)c1cc(N[C@H](c2ccncc2)c2ccc(F)cc2)n2nccc2n1 72169671 BEFXDNUYOCCAQZ-NRFANRHFSA-N 361.424 4.588 0 50 FJAA Cc1ccnc(Oc2ccc(NC(=O)N3CCc4ccccc4[C@@H]3C)cc2)n1 125026620 NOQRGLWSHUMGDM-INIZCTEOSA-N 374.444 4.729 0 50 FJAA Cc1cc(NCc2nc(-c3cc(Cl)ccc3Cl)cs2)n(C)n1 157129679 PFSNANFGLMRMLR-UHFFFAOYSA-N 353.278 4.771 0 50 FJAA c1ccc(CC[C@H]2CCCCN2Cc2cc(CN3CCCC3)cs2)nc1 216412647 UTCIPNNLJABWOZ-OAQYLSRUSA-N 369.578 4.726 0 50 FJAA 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 257349969 SXJDNUFKBLXQHF-WRDJSGTQSA-N 362.554 4.769 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 263618148 RMKJYBVTFWMUBP-QGZVFWFLSA-N 367.836 4.676 0 50 FJAA CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3sc(C)nc3c2)c1 822535039 VZHVOKOFJHXZMN-UHFFFAOYSA-N 353.447 4.514 0 50 FJAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1cc(Cl)cs1 1875343121 RHRYTWZKUJBCEE-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA Cc1ccccc1[C@@H](CC(C)C)NC[C@@H](CO)Cc1ccc(F)c(F)c1 2325841436 UZDKMJJULWQEGV-PGRDOPGGSA-N 361.476 4.801 0 50 FJAA O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(c1)Cc1ccccc1-2 1124554 KEXNDYRYQHUOGL-UHFFFAOYSA-N 369.873 4.853 0 50 FJAA CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3ccc(Cl)cc3)nc2C1 1134592 XIAFUGQQBBQWIM-VMPITWQZSA-N 360.866 4.604 0 50 FJAA Cc1ccccc1CSc1nnc(NC(=O)Nc2ccccc2F)s1 1179377 NUAMOIPQKLVTDV-UHFFFAOYSA-N 374.466 4.922 0 50 FJAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 2750534 JETKTRNNIIVGIM-JTQLQIEISA-N 358.652 4.731 0 50 FJAA O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1 2853782 SEWVPAKULVXTNS-UHFFFAOYSA-N 359.447 4.778 0 50 FJAA CC(C)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 4419864 WBXGKUUECPTGHU-HKUYNNGSSA-N 371.278 4.975 0 50 FJAA CCCC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 5046925 HJAICTMOPKJZDV-UHFFFAOYSA-N 359.223 4.996 0 50 FJAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2cccs2)C1 11816937 MCLPRWXFNACTQC-INIZCTEOSA-N 360.498 4.827 0 50 FJAA CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(-c3ccc(SC)cc3)ccc2O1 12218164 LSNFLTIBYOUDGF-KDOFPFPSSA-N 355.503 4.541 0 50 FJAA CC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCNC1 40449817 UWSUXCWPSHDJRF-NRFANRHFSA-N 366.505 4.843 0 50 FJAA c1ccc(COCc2c(-c3ccccc3)ncn2CC2CCOCC2)cc1 65394109 KUDACXZVAMCHQP-UHFFFAOYSA-N 362.473 4.694 0 50 FJAA Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)c2c1 91635598 FVTTWDXAXNYRAX-MRXNPFEDSA-N 373.456 4.946 0 50 FJAA C[C@@H](Nc1ccc2c(c1)CC(=O)N2C)c1ncc(-c2ccc(Cl)cc2)o1 193334519 MTUVQFITWPDHDQ-GFCCVEGCSA-N 367.836 4.687 0 50 FJAA C[C@@H]1[C@@H](N[C@@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)CCC[C@H]1C 245253912 RROFHMUQHXNYJT-CTOYSFNJSA-N 352.522 4.640 0 50 FJAA CC(=O)c1csc(C(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)c1 328591124 WDFOERWYZHFZHD-ZDUSSCGKSA-N 369.320 4.552 0 50 FJAA COc1ccc(Cl)cc1-c1cccc(C(=O)NCCC[C@@H]2CCOC2)c1 426623214 LSEBODDSKSBAQQ-OAHLLOKOSA-N 373.880 4.562 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)cc1 1186494 XQEXRNPRJIMASZ-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA CC(C)c1ccc(OCc2cccc(C(=O)NCc3ccncc3)c2)cc1 2750350 MFTQQIAPWSBHQR-UHFFFAOYSA-N 360.457 4.714 0 50 FJAA Cc1sc2ncn3nc([C@@H]4C[C@H]4c4ccc(Cl)cc4)nc3c2c1C 2808329 LNLNUOCRIDFQKA-UONOGXRCSA-N 354.866 4.880 0 50 FJAA CCn1ncc([C@@H](C)NC(=S)Nc2ccc(Cl)cc2Cl)c1C 2858978 YGRJKRFVXROVDA-SECBINFHSA-N 357.310 4.566 0 50 FJAA CCCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccc(Cl)cc1 4826510 UHNOAWOBHAYAHR-UHFFFAOYSA-N 368.868 4.959 0 50 FJAA Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2ncccc2[nH]1 6877728 XJZBQPMRZHJXAT-UHFFFAOYSA-N 356.838 4.867 0 50 FJAA O=C(C1CCC1)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12151283 UTFNKSRJGMEAOM-GOSISDBHSA-N 359.473 4.736 0 50 FJAA O=C(c1csc([C@H]2CCCO2)n1)N(Cc1ccoc1)C1CCCCC1 153291907 CJDVMKTYKIUCCD-QGZVFWFLSA-N 360.479 4.563 0 50 FJAA FC(F)(F)c1cc(Cl)cc(CNc2ccc(Cn3cncn3)cc2)c1 189319095 OLDDHEVVPZNWKJ-UHFFFAOYSA-N 366.774 4.611 0 50 FJAA COc1cc(CNc2cc(Cl)c(F)c(Cl)c2)cc(OC)c1OC 225641663 LOYKRXDKARKOBM-UHFFFAOYSA-N 360.212 4.770 0 50 FJAA Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1NC(=O)C(C)(C)C 828111552 YKGKVZJVIIWKHW-ZWKOTPCHSA-N 350.462 4.722 0 50 FJAA C[C@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C(F)F)nc1 850470812 JLYJYESOIPAPLU-CABCVRRESA-N 373.447 4.948 0 50 FJAA c1ccc(-c2nnc(CN3CCCC[C@@H]3CCc3cccs3)o2)cc1 1529153847 WAWMFLCUORJUSD-QGZVFWFLSA-N 353.491 4.785 0 50 FJAA O=C(N[C@H]1c2ccccc2CC12CC2)C1CC(F)(c2cccc(F)c2)C1 1875407805 HZLBKHZGGVLGDG-WDALLZDZSA-N 353.412 4.594 0 50 FJAA CC(=O)Nc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 898053 JSZQNYZZKAECJJ-UHFFFAOYSA-N 369.808 4.514 0 50 FJAA COc1ccc(Cl)cc1NC(=O)COc1ccc(C)cc1C(C)(C)C 958626 VOZCMBDFDCQAPY-UHFFFAOYSA-N 361.869 4.972 0 50 FJAA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)cc1 1218450 OMAPBFGLFFNQSZ-UHFFFAOYSA-N 356.429 4.598 0 50 FJAA Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3OC(F)F)no2)cc1 2800131 MVPUWZKZTQEWPA-UHFFFAOYSA-N 362.307 4.643 0 50 FJAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(Cc2ccccc2)CC1 4174548 VLSDDOKDTKXBIY-UHFFFAOYSA-N 352.522 4.620 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cc2c(s1)CCCC2 4750177 NMNODEJXFFZXDV-UHFFFAOYSA-N 368.502 4.505 0 50 FJAA O=C(O)c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 5031784 DPWVEWPRPGBVQR-UHFFFAOYSA-N 374.512 4.821 0 50 FJAA aggregator Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc2ccccc2c1 6721909 HLNGTXVJYKEYLD-GGAORHGYSA-N 356.469 4.596 0 50 FJAA CC1CCN(CCOCCOc2c(Cl)cc(Cl)cc2Cl)CC1 8750467 JILCGNRYBFBLLG-UHFFFAOYSA-N 366.716 4.774 0 50 FJAA Cc1ccccc1Oc1ncccc1CNC(=O)c1c(F)cccc1Cl 67513635 VKVUMORWTXXXHF-UHFFFAOYSA-N 370.811 4.905 0 50 FJAA COc1c(F)ccc(F)c1C(=O)Nc1nc(-c2ccccc2C)cs1 123748525 MOHLSIJEGHAIDE-UHFFFAOYSA-N 360.385 4.658 0 50 FJAA O=C(Nc1cccc2cccnc12)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 170637945 YYFSKUFWTXDIAS-GJZGRUSLSA-N 372.346 4.876 0 50 FJAA CN(Cc1csc2ccccc12)C(=O)N[C@H]1CCOC2(CCCC2)C1 178505568 BCSSEEPJIHTNJK-INIZCTEOSA-N 358.507 4.535 0 50 FJAA O=C(Nc1ccccc1F)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 253427292 DWZWXXXXQXBLIR-IBGZPJMESA-N 364.424 4.975 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cc(C3CC3)nc3ccccc13)C2 1704300004 UFMVTVUIRNLHRQ-FYYLOGMGSA-N 364.489 4.534 0 50 FJAA O[C@H](CNc1cncc(-c2ccc(F)cc2)n1)c1ccc2ccccc2c1 2325737342 ZGYWAKDBJFAUGN-OAQYLSRUSA-N 359.404 4.581 0 50 FJAA CCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCC 1189655 XFNVHDUBFLEIPY-UHFFFAOYSA-N 363.841 4.788 0 50 FJAA COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1Br 5006339 DFJCFVVEMRNZQA-UHFFFAOYSA-N 350.300 4.516 0 50 FJAA Cc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12 20603257 ORCKGCGNZXQVMH-UHFFFAOYSA-N 371.366 4.515 0 50 FJAA Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCCc1ccncc1 55327912 PBTBVYDOZANZBZ-UHFFFAOYSA-N 354.837 4.666 0 50 FJAA CCN(Cc1ccncc1)C(=O)C[C@@H](c1ccccc1)c1ccc(C)cc1 55357731 SZGTZHZRIMUHID-QHCPKHFHSA-N 358.485 4.961 0 50 FJAA Fc1cccc(Cl)c1[C@H]1C=C(c2ccccc2Cl)Nc2ncnn21 101083286 WHNACSLGKNVLIX-OAHLLOKOSA-N 361.207 4.780 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc3ncccc23)cc1 299786539 MYVWAZLLZYHWBE-JOCHJYFZSA-N 374.488 4.665 0 50 FJAA Cc1cc(-c2ccc(C(=O)N3CCC[C@](C)(O)CC3)cc2)c2ccccc2n1 426360135 JWXIITACRPASKM-DEOSSOPVSA-N 374.484 4.587 0 50 FJAA CCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 1875252045 WVTBTYISQNDFHF-UHFFFAOYSA-N 362.901 4.757 0 50 FJAA C[C@H](NC(=O)c1sc(C2CC2)nc1-c1ccccc1)c1ccn(C)c1 1875262727 BHMWCMSNIQWKEZ-ZDUSSCGKSA-N 351.475 4.517 0 50 FJAA O=C(NCc1ccc(OC2CCCC2)cc1)NCc1ccc2ccoc2c1 2325736045 SZJPZAPMNHVWEU-UHFFFAOYSA-N 364.445 4.754 0 50 FJAA Cc1c(C)c(CONC(=O)c2ccccc2)c(C)c(C)c1Br 1228862 CRZXPKDPIDAEPC-UHFFFAOYSA-N 362.267 4.544 0 50 FJAA O=C(O)/C=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 1385826 CBPTZQXBTXUKSD-AATRIKPKSA-N 366.726 4.796 0 50 FJAA CCCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1 2331184 HBTWMPVERKKQSG-UHFFFAOYSA-N 372.425 4.777 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 4176852 AQUKEDDUKCUXAC-UHFFFAOYSA-N 370.518 4.666 0 50 FJAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)CCCC(=O)O 4313932 IDXLBSTUJMLQJZ-WMZOPIPTSA-N 351.446 4.507 0 50 FJAA CCN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1 4681139 ITNOWTRZXGLXQN-UHFFFAOYSA-N 350.462 4.734 0 50 FJAA O=Cc1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 4839728 QLZLCLZQEFGNKJ-UHFFFAOYSA-N 350.321 4.719 0 50 FJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1 13570586 SOYJFJNQQDCJQN-UHFFFAOYSA-N 354.435 4.638 0 50 FJAA COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)N(C)CC2 19608340 XFFOCJFCOTUJID-SFHVURJKSA-N 352.261 4.588 0 50 FJAA CCC[C@H](NC(=O)c1ccc(NCc2ccncc2)cc1)c1ccccc1 19953002 SZHFVZBPOQFINS-QFIPXVFZSA-N 359.473 4.965 0 50 FJAA CC[C@H](C)Oc1c(CNCc2cc3cc(OC)ccc3[nH]2)cccc1OC 63870066 HTXSVLIPXAFTSS-HNNXBMFYSA-N 368.477 4.652 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2c[nH]nc2C2CCCCC2)no1 91526252 GRQDWBUULANGPH-KRWDZBQOSA-N 356.470 4.546 0 50 FJAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1 299774202 DZVOKGNPCXKDOU-GOSISDBHSA-N 363.379 4.623 0 50 FJAA Cc1cc(C)nc(-c2cccc(C(=O)N[C@@H](C)c3nc(C)cs3)c2)c1 299778951 IWYSQUFOJMZCRI-HNNXBMFYSA-N 351.475 4.621 0 50 FJAA CC(C)C[C@@H](C(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)n1cccc1 409413568 IVGVIHVBXSDRMX-HNNXBMFYSA-N 364.371 4.609 0 50 FJAA COCCCN(Cc1ccc(C)cc1)C(=O)NCc1cccc(Cl)c1C 534675350 WJSYEGVIPOVBSW-UHFFFAOYSA-N 374.912 4.705 0 50 FJAA CC[C@H](Nc1cc(C)c2c(OC)ccc(OC)c2n1)c1ccc(C)cn1 1704301114 KRSHRACGCHULTL-HNNXBMFYSA-N 351.450 4.827 0 50 FJAA C[C@@H](NC(=O)c1sc(C2CC2)nc1-c1ccccc1)c1ccn(C)c1 1875262726 BHMWCMSNIQWKEZ-CYBMUJFWSA-N 351.475 4.517 0 50 FJAA Cc1ccc(F)c(CNC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)c1 1875332034 AIVCUWQPDSACQL-UHFFFAOYSA-N 359.404 4.607 0 50 FJAA Cc1ccc([C@H](NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)C(F)(F)F)o1 1875341753 GBBWZQRNJVQOAK-HQNBKTBISA-N 353.340 4.737 0 50 FJAA CCC(CC)n1ncc(NC(=O)c2ncsc2Cc2ccccc2)c1C 2325827298 BLZWQUMYUQCPDX-UHFFFAOYSA-N 368.506 4.852 0 50 FJAA C[C@H](NC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 756360 GWGHORCJADMCPA-ROUUACIJSA-N 372.468 4.669 0 50 FJAA CCCOc1cccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 2946263 IIHLRWMIXKACOU-UHFFFAOYSA-N 358.869 4.981 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 4148894 NAYSKQRCCYBSED-PVXIVEMSSA-N 357.475 4.643 0 50 FJAA Cc1ccc2nc(SCC(=O)Nc3nc4c(C)cccc4s3)[nH]c2c1 4742079 BFNNWJTVVAOWSQ-UHFFFAOYSA-N 368.487 4.520 0 50 FJAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@H](C)CC)c3C)C2)cc1 4911375 JRBGPVDIILVQAL-DYVFJYSZSA-N 353.462 4.754 0 50 FJAA COc1cc(/C=C/C(=O)O)ccc1OCCCCSc1ccccc1 6793342 YDMRLBJBHFFAAS-ZRDIBKRKSA-N 358.459 4.744 0 50 FJAA FC(F)(F)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 55543066 UWECIRIBUCIGLT-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1nc2ccc(Cl)cn2c1F 216381291 ONDSXZXSXKFBDQ-HNNXBMFYSA-N 374.847 4.525 0 50 FJAA O=C(NCc1cccc(Cl)c1Cl)N1CCCC[C@H]1c1nccs1 531107763 WHMIYRYFPXMAHC-ZDUSSCGKSA-N 370.305 4.887 0 50 FJAA O=C(CC[C@H]1CC1(Cl)Cl)Nc1cccnc1Oc1ccccc1 821931558 SDOHNNBVXDRMQS-LBPRGKRZSA-N 351.233 4.786 0 50 FJAA CC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1NCc1cccs1 1506406700 MYGBEUYGBBVSBP-HXUWFJFHSA-N 365.502 4.979 0 50 FJAA CCOC(=O)[C@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 640274 PCSACVVVELKKBR-JOCHJYFZSA-N 361.441 4.982 0 50 FJAA O=C(NCc1ccccc1)c1cccc(COc2ccccc2Cl)c1 662841 UFQMBENFRXQILR-UHFFFAOYSA-N 351.833 4.849 0 50 FJAA O=C1c2ccc(-c3nc4ccccc4s3)cc2C(=O)N1Cc1ccccc1 692708 ZZRXZQWYYKKKSI-UHFFFAOYSA-N 370.433 4.760 0 50 FJAA CCOC(=O)c1sc2ncnc(Nc3ccc(OC(C)C)cc3)c2c1C 957756 KWVYVQCBXIPGTN-UHFFFAOYSA-N 371.462 4.707 0 50 FJAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc2ccccc2o1 2744693 YMGPQSAUQSOAQZ-UHFFFAOYSA-N 355.353 4.888 0 50 FJAA CCOC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 2830722 RLDSFIQOGNXNSE-UHFFFAOYSA-N 359.834 4.984 0 50 FJAA CCSc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 2853050 BAKGXCGTLZQZAI-UHFFFAOYSA-N 360.504 4.663 0 50 FJAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2C(=O)O)cc1 4012740 DWFYXILMWNVSHQ-QFIPXVFZSA-N 372.424 4.749 0 50 FJAA CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 4653599 PNZYPFDPCJVDHB-FQEVSTJZSA-N 367.489 4.717 0 50 FJAA Cc1ccc(-c2noc(CN(C(=O)c3ccccc3Cl)C(C)C)n2)cc1 4850619 ANFRBKLAQWAYGJ-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA COc1cc2c(cc1OC)CN(Cc1c(Cl)cccc1Cl)CC2 19634878 BVQICMUNMSRMJU-UHFFFAOYSA-N 352.261 4.569 0 50 FJAA FC(F)(F)c1cccc(Oc2ncccc2CNCc2ccccn2)c1 55100100 DEQYRIMRVLQQEX-UHFFFAOYSA-N 359.351 4.578 0 50 FJAA Cc1ccc(NC(=O)C(C)C)cc1NCc1ncc(-c2ccccc2F)o1 174300920 AQLFBBBRGFFDDQ-UHFFFAOYSA-N 367.424 4.996 0 50 FJAA CSc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1 217723550 KVSVLZDGLCQSLP-OAHLLOKOSA-N 368.454 4.593 0 50 FJAA biogenic Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC1CCCCC1 409628678 DYEPLKUXUUSMDO-UHFFFAOYSA-N 362.315 4.674 0 50 FJAA CCOc1ccc(CCCC(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1C 1704297994 COCGYJOYIHQPAN-FYYLOGMGSA-N 373.537 4.524 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2sc(C(C)C)nc2C)C[C@H](C(C)C)O1 1857724699 NPCKPAAPKGOJAL-HZPDHXFCSA-N 352.544 4.631 0 50 FJAA C[C@@H](CC(F)F)NC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 2325746210 MBRWAYXHTWVKPE-JTQLQIEISA-N 365.251 4.926 0 50 FJAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 655662 NFPUKUXUCLDKFJ-SFHVURJKSA-N 352.459 4.915 0 50 FJAA COC(=O)c1cn(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 813042 JTTTXALALADNQZ-UHFFFAOYSA-N 355.393 4.783 0 50 FJAA O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccs1 1065428 CTHYORVASIAIRS-UHFFFAOYSA-N 350.468 4.955 0 50 FJAA CCc1ccc(-c2csc(NC(=O)Cc3ccc(OC)cc3)n2)cc1 1113344 FVTJMLNXUQWQTM-UHFFFAOYSA-N 352.459 4.562 0 50 FJAA COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1 1139161 FPBDTBPJOJAGGT-UHFFFAOYSA-N 361.353 4.518 0 50 FJAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 1143827 VCLSMSZSHYBJDN-QGZVFWFLSA-N 358.441 4.738 0 50 FJAA Cc1ccc(NC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 1175103 VYMTYEDKBMRUJS-UHFFFAOYSA-N 359.429 4.569 0 50 FJAA C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2ccccc2Cl)CC3=O)C1 12407516 XXOJCYWPOYETKL-ZNMIVQPWSA-N 369.896 4.525 0 50 FJAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 71735514 PRZBZYLWWBYMJJ-IBGZPJMESA-N 373.500 4.870 0 50 FJAA COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 166484281 YUMGJHNOPNNTPD-CYBMUJFWSA-N 368.502 4.811 0 50 FJAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239297297 DZBNRLJJOLPANB-WZKSRPPSSA-N 368.304 4.880 0 50 FJAA O=C(O)COc1ccc(-c2csc3ccccc23)cc1CN1CCCC1 299790411 BOYCSLQKANTKFM-UHFFFAOYSA-N 367.470 4.628 0 50 FJAA C[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 464433287 FDONTYZHKJPDBK-PXNSSMCTSA-N 351.494 4.620 0 50 FJAA CCN(Cc1cccc(Br)c1)C(=O)c1cc(O)c2ccoc2c1 1875362649 NYKDRABOIMYPLP-UHFFFAOYSA-N 374.234 4.563 0 50 FJAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2c1 997589 YIPOKIRCHKPHIX-UHFFFAOYSA-N 359.834 4.887 0 50 FJAA Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2F)c1 1078019 YFTXOGKZQOOFCV-UHFFFAOYSA-N 363.388 4.743 0 50 FJAA O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 1112278 ZGMCENGMMRGVQQ-UHFFFAOYSA-N 359.454 4.531 0 50 FJAA COc1ccc(C)cc1-n1c(S)nnc1-c1ccc(C(C)(C)C)cc1 1121182 LGQIWMRYFKNNSX-UHFFFAOYSA-N 353.491 4.838 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc(C)c1Cl 1166535 WOSOCTGDQUXSAH-UHFFFAOYSA-N 372.896 4.965 0 50 FJAA Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 1178608 KJKUUEMBYPOJSG-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 1213714 GRCQMJKFNAQGPK-UHFFFAOYSA-N 357.475 4.754 0 50 FJAA O=C1C[C@H](c2ccccc2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4192372 PZRHIUARXXCWMU-BFKIHDCISA-N 365.502 4.623 0 50 FJAA Cc1cccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c1 4844170 RWMRRQAWIJMGFG-BUHFOSPRSA-N 354.409 4.570 0 50 FJAA aggregator FC(F)Oc1ccccc1C1=C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 100717330 BMSPNASRXDYFRD-HNNXBMFYSA-N 374.778 4.589 0 50 FJAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(OCCc2ccccc2)CC1 171857658 PQZGITBJJONACY-UHFFFAOYSA-N 374.484 4.546 0 50 FJAA O=C1C[C@H](c2cccnc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 253413950 WBIISJMHFXEBIJ-GOSISDBHSA-N 353.425 4.559 0 50 FJAA biogenic C[C@H](CC(F)F)NC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 2325746211 MBRWAYXHTWVKPE-SNVBAGLBSA-N 365.251 4.926 0 50 FJAA Cc1ccc(F)c(NC(=O)CSc2ccc(Br)cc2)c1 1109570 FFGYPPJFMVDLEP-UHFFFAOYSA-N 354.244 4.627 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3csc4ccccc34)C[C@@H]2C)c1 1114488 LTOCUYQUDGQFIA-INIZCTEOSA-N 350.487 4.561 0 50 FJAA CC(C)=CCC[C@@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccccc23)[C@]1(C)O 1444462 RTLURPZWLVMLPH-FGZHOGPDSA-N 370.493 4.685 0 50 FJAA C/C=C/c1ccc(OCCOC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 2173821 IARHNJQGKQVTEZ-AATRIKPKSA-N 355.434 4.973 0 50 FJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC[C@@H]1C 6202188 NTOJWWMYWWQGKH-ZDUSSCGKSA-N 374.531 4.773 0 50 FJAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 10773901 UTAJHKSGYJSZBR-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA in-vitro O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](Nc2ccccc2)C1 12320544 YJDIYAJPSAYPNC-GOSISDBHSA-N 354.519 4.734 0 50 FJAA CCSc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 44938596 YOPBNHGUCLVOQV-UHFFFAOYSA-N 354.519 4.649 0 50 FJAA COc1cc2c(cc1-c1c(-c3ccccc3)ncn1Cc1ccon1)CCC2 65534748 WIGTZSRNUXGHBL-UHFFFAOYSA-N 371.440 4.751 0 50 FJAA O=C(c1ccc2occc2c1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72479124 OAJRVXANVOZWEK-GOSISDBHSA-N 363.392 4.816 0 50 FJAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc5occc5c4)C3)nc12 91646073 PQGSTRQYRPZGEF-QGZVFWFLSA-N 359.429 4.637 0 50 FJAA COC(=O)[C@H]1N=NC(c2ccccc2)(c2ccccc2)[C@@H]1[Si](C)(C)C 169828956 IQDSRHZDQLTFDS-ZWKOTPCHSA-N 352.510 4.646 0 50 FJAA CCc1cnc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 174231517 NDUQFLKBNHVPLI-ZDUSSCGKSA-N 358.492 4.684 0 50 FJAA C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 221895736 PTHJUCNHWFUTHB-XYJFISCASA-N 357.567 4.927 0 50 FJAA CC(C)(NC(=O)c1cn(CCCCCF)c2ncccc12)c1ccccc1 575631048 MXJYOUMYJGNQEY-UHFFFAOYSA-N 367.468 4.841 0 50 FJAA in-vitro Fc1ccc([C@@H](N[C@H]2CCCCNCC2)c2cnc3ccccc3c2)cc1 2325758831 LXQJLHXRCQEIRH-JTHBVZDNSA-N 363.480 4.585 0 50 FJAA O=C(Oc1cccc(Nc2ncnc3ccccc23)c1)c1ccc(F)cc1 949625 PUSFYABKEHJAHF-UHFFFAOYSA-N 359.360 4.732 0 50 FJAA CC(C)CC(=O)Nc1nnc(SCc2cccc3ccccc23)s1 1076308 HHOOJIIWQMUVLD-UHFFFAOYSA-N 357.504 4.968 0 50 FJAA CCc1c(C)sc(NC(=S)Nc2ccc3c(c2)CCC3)c1C(=O)OC 1117843 QEPLZFFYPHLYBC-UHFFFAOYSA-N 374.531 4.703 0 50 FJAA COc1ccc2c3c(c(=O)oc2c1OC/C=C/c1ccccc1)CCCC3 2865679 FQOFDWGRHNGDBX-JXMROGBWSA-N 362.425 4.773 0 50 FJAA COc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1OC 4776830 HIRMECULPXANSQ-UHFFFAOYSA-N 362.838 4.528 0 50 FJAA COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1NC(C)=O 4789057 CSZANSJMQPXPSS-UHFFFAOYSA-N 360.413 4.573 0 50 FJAA O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2ccsc2)C1 11879372 UCHPXRXBGADQOU-GOSISDBHSA-N 366.486 4.859 0 50 FJAA COc1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1 36621060 YXHMMXYQGKZYPZ-SFHVURJKSA-N 360.841 4.726 0 50 FJAA COC[C@H](C)n1cnc(-c2ccccc2)c1-c1cc(F)c(OC)c(F)c1 65408661 KGCTWXFDDTZXDW-ZDUSSCGKSA-N 358.388 4.711 0 50 FJAA Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H]1CCCN(C)C1 71375999 QYDWKBCTLIGSNZ-SFHVURJKSA-N 354.519 4.568 0 50 FJAA CCN(CCN(C)C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72119566 SWEYCGIHHMWSLP-UHFFFAOYSA-N 369.896 4.512 0 50 FJAA Cc1ncsc1CCC(=O)NCc1ccc(-c2cccc(Cl)c2)o1 82097922 MOTGAOINRYTLQW-UHFFFAOYSA-N 360.866 4.614 0 50 FJAA C[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(Cl)c2ccccc12 408284981 BWPGEMKWIGHIGT-XOBRGWDASA-N 360.885 4.501 0 50 FJAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3sc(C)nc3c2)cc1 426478862 HQZAJALPKIFOOV-SFHVURJKSA-N 366.486 4.523 0 50 FJAA CN(CC[C@@H]1CCCCO1)C(=O)c1cccc(-c2cc(Cl)ccc2O)c1 426489324 FXTUXRKZMAPXRN-SFHVURJKSA-N 373.880 4.744 0 50 FJAA COc1cccc(Oc2ccc(NC(=O)c3cc(C(C)C)nn3C)cc2)c1 471351309 WBWLTONIAFCSNH-UHFFFAOYSA-N 365.433 4.597 0 50 FJAA O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)C1CCCC1 849187680 FHWGMJSCNRHZBF-MRXNPFEDSA-N 353.249 4.665 0 50 FJAA C[C@H]1CN(c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2)C[C@@H](C)O1 850459012 QPBUJSADOKSUNM-QLFBSQMISA-N 361.436 4.806 0 50 FJAA FC(F)(F)c1sccc1-c1noc(-c2cnc([C@@H]3CCCO3)s2)n1 867154959 PIIIVVOZYMLRSC-QMMMGPOBSA-N 373.381 4.792 0 50 FJAA CCn1c2ccccc2c2nnc(SCc3ccccc3Cl)nc21 714251 FIQQTUYPXUMHPJ-UHFFFAOYSA-N 354.866 4.945 0 50 FJAA COc1ccccc1CNC(=S)Nc1ccc(Oc2ccccc2)cc1 987547 ZBJYFUOCVHMZEP-UHFFFAOYSA-N 364.470 4.974 0 50 FJAA Cc1ccccc1NC(=O)c1cc(I)ccc1Cl 993862 WNFRSJMGLKCJGM-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1c(F)cccc1F 999487 HITOHVBUQWCOTA-UHFFFAOYSA-N 352.312 4.619 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 1121986 IGBIQTFLFXJHDG-UHFFFAOYSA-N 370.302 4.665 0 50 FJAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 1158467 IOKFYGXHWJCHNK-UHFFFAOYSA-N 364.489 4.609 0 50 FJAA COc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1 1200989 VTTMFFLLGJVLRW-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 2225845 KSHJJYSNIZKXDN-UHFFFAOYSA-N 374.469 4.630 0 50 FJAA COc1ccc(NC(=S)Nc2cccc(OC(F)(F)C(F)F)c2)cc1 2571220 PAQJFNLOGPQMKW-UHFFFAOYSA-N 374.359 4.741 0 50 FJAA Cc1ccc(Sc2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2C)cc1 2597210 ZVDCLQVZQZTURU-UHFFFAOYSA-N 372.515 4.505 0 50 FJAA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl 2695833 UMVPZTCBOKRQMN-LLVKDONJSA-N 354.233 4.716 0 50 FJAA Cc1cccc(C(=O)Nc2cc(C)ccc2NC(=O)COc2ccccc2)c1 2850534 FGQRNUGKUSPDCK-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA Cc1ccc2oc(-c3cc(NC(=O)c4ccc(F)cc4)ccc3O)nc2c1 4551639 HXILLMSMRITGPS-UHFFFAOYSA-N 362.360 4.900 0 50 FJAA O=C(CSc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCCO2 4834918 ZTAFBSVHJZCLLT-UHFFFAOYSA-N 369.467 4.556 0 50 FJAA COC(=O)[C@@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 8873825 XPCOKXPWNXOBKK-HNNXBMFYSA-N 370.754 4.888 0 50 FJAA OC[C@]1(Cc2ccccc2F)CCCN(Cc2cccc3ccccc23)C1 12711702 MQQBIQQOMXLLKM-DEOSSOPVSA-N 363.476 4.796 0 50 FJAA Cn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(F)cc1 15746493 DBMMHURFCJCXFO-MNDPQUGUSA-N 363.255 4.888 0 50 FJAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2F)C1 77471713 GRBMNEPWPZBNRY-INIZCTEOSA-N 373.855 4.533 0 50 FJAA O=C(Nc1cc(Cl)ccc1Br)c1ccc2ncccc2c1 126157716 ABABBJDUYBCGRI-UHFFFAOYSA-N 361.626 4.903 0 50 FJAA CCCC1CCC(N(C)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 192295104 AUOIKQCEERPNKX-UHFFFAOYSA-N 373.497 4.774 0 50 FJAA Cc1cc(C)c2c(CC(=O)N(C)[C@H](C)c3nc(C)sc3C)coc2c1 952969903 NJHBAKRCOJMONE-CYBMUJFWSA-N 356.491 4.885 0 50 FJAA O=C(NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCc2c(Cl)cccc21 1354019513 SRENPXUQIYGKMC-CQSZACIVSA-N 371.761 4.844 0 50 FJAA Cc1c(-c2ccccc2)noc1NC(=O)c1ccc(CCC(C)(C)O)cc1 1529179627 ZWABKOPCNCDJQG-UHFFFAOYSA-N 364.445 4.606 0 50 FJAA Cc1ccccc1C1CC(N(C(=O)c2ccc3cnc(C)n3c2)C2CC2)C1 1875253520 QAFUUPRZMIMUSS-UHFFFAOYSA-N 359.473 4.502 0 50 FJAA O=C(O)CCc1ccc2c(c1)CCN(CC[C@H](c1ccccc1)C(F)F)C2 2325777364 ZJGUQKVBHNYCGG-HXUWFJFHSA-N 373.443 4.501 0 50 FJAA CC[C@H](NC(=O)c1cc(OC)ccc1-c1ccccc1C)[C@@H]1CCCOC1 2325842553 ALFHCKOVPFBVQL-VGSWGCGISA-N 367.489 4.606 0 50 FJAA Cc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1C 622404 IOBPRFVZQBNARM-UHFFFAOYSA-N 361.441 4.900 0 50 FJAA COc1cc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)cc1Cl 917589 VXVDAFYLFLQUKG-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA Cc1ccccc1OCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 1164703 GTIVNJVEMYPPSB-QHCPKHFHSA-N 360.409 4.541 0 50 FJAA COc1ccc(C(=O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)cc1 1170785 OTQJAXMOSUVXPJ-SKELBMGJSA-N 372.420 4.876 0 50 FJAA biogenic COc1ccc(-c2cc3c(c(OC)c2)OCCN(C2CCCC2)C3)cc1 15001522 YWTRKDGYBHCOTG-UHFFFAOYSA-N 353.462 4.508 0 50 FJAA C=Cc1ccc(C(=O)N2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 20538040 DLMIRAHDWRRITD-DEOSSOPVSA-N 363.501 4.567 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cccc(F)c1F)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 245254599 ATFVUDFVPCXXQB-XKVRYUNCSA-N 355.384 4.960 0 50 FJAA COc1cccc([C@@H]2CCN2C(=O)c2ccc(-c3cc(C)nc(C)c3)cc2)c1 426387219 GHVRZHLGOGRTFY-QHCPKHFHSA-N 372.468 4.961 0 50 FJAA O=C(Oc1ccccc1-c1ccccc1OC(=O)c1ccco1)c1ccco1 639062 MIRRPOTUTPIVPP-UHFFFAOYSA-N 374.348 4.978 0 50 FJAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 710860 AEKMMFSXAFYQJJ-UHFFFAOYSA-N 368.296 4.547 0 50 FJAA Brc1ccc2ncnc(Nc3ccc(N4CCCC4)cc3)c2c1 951937 GTHUJOLFLLKBES-UHFFFAOYSA-N 369.266 4.736 0 50 FJAA CCc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 1212930 FXBNOMVQSXOAJQ-UHFFFAOYSA-N 359.219 4.697 0 50 FJAA CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 1671505 SNTQPLDRUZOSDP-UHFFFAOYSA-N 353.506 4.658 0 50 FJAA biogenic,in-man O=C(CCC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 2745546 OIJFBNYYFGMQEE-UHFFFAOYSA-N 373.186 4.629 0 50 FJAA Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1 2877347 NPFSLRYJEGUSGF-UHFFFAOYSA-N 357.207 4.665 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 2922443 XOBIRLNNKFFZFA-CYBMUJFWSA-N 357.475 4.692 0 50 FJAA Cc1nn(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(C)c1Br 4628855 DFSGVPWPCZSTOL-XQRVVYSFSA-N 374.065 4.923 0 50 FJAA CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc3ccccc23)C1 4745065 IVSOCRIDXMJPBC-QHCPKHFHSA-N 372.512 4.710 0 50 FJAA COc1cccc([C@H]2CN(c3ccccc3)N=C2c2cccs2)c1OC 5361707 UDYRITANJYBLRZ-QGZVFWFLSA-N 364.470 4.773 0 50 FJAA FC(F)(F)c1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1 55543497 CVIYNLVHJXVVIA-UHFFFAOYSA-N 359.395 4.509 0 50 FJAA Cc1cc(C)n(-c2ccccc2CN[C@H](C)c2cnc3ccsc3c2)n1 123556555 SXAJYBXQTHSCIP-MRXNPFEDSA-N 362.502 4.950 0 50 FJAA Cc1ccc(-c2csc3nc(-c4ccc5cc[nH]c5n4)[nH]c(=O)c23)cc1C 225663520 KZMWXPYPTOKROD-UHFFFAOYSA-N 372.453 4.812 0 50 FJAA O=C(Nc1ccc(Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 263639767 ICLFKKYPFGGENU-DTORHVGOSA-N 374.712 4.935 0 50 FJAA O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)[C@H]1CCCOCC1 365990446 UQJDRRUTBPKFOZ-ZDUSSCGKSA-N 369.852 4.639 0 50 FJAA CCCCC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)cc1Cl 952963279 IROSXYUXSIZZRG-JLNWYJABSA-N 360.885 4.699 0 50 FJAA CC1(C)CCCc2c(N3CCC(Nc4ccccc4)CC3)nc(Cl)nc21 1875330116 MOXMMAVEDRQTLF-UHFFFAOYSA-N 370.928 4.825 0 50 FJAA Cc1csc2c(NC(=O)c3cccc(Cc4ccccc4)c3)ncnc12 1875388355 YCOHLSQMXKUHQB-UHFFFAOYSA-N 359.454 4.843 0 50 FJAA CC(=O)c1ccc(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)cc1 2325874666 WPZSXHDGPJCCKF-UHFFFAOYSA-N 370.408 4.627 0 50 FJAA COc1cccc2cc(-c3cn4c(n3)sc3cc(C)ccc34)c(=O)oc12 1184776 DRXXSLPSFMXFGI-UHFFFAOYSA-N 362.410 4.639 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1)C3 2362578 DPCFNOPUCQZUNN-GOSISDBHSA-N 353.425 4.617 0 50 FJAA O=C(Nc1ccc2c3c(cccc13)CC2)c1c(F)c(F)c(F)c(F)c1F 2846395 XPPGKPUNAXIGAE-UHFFFAOYSA-N 363.285 4.886 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1cccc2ccccc12 2984169 IXELDEPRAOTKTA-UHFFFAOYSA-N 352.430 4.631 0 50 FJAA CCc1[nH]c2c(CNCc3cccn3-c3cccnc3)cc(F)cc2c1C 12320097 MLLFBVXKYRAIPN-UHFFFAOYSA-N 362.452 4.653 0 50 FJAA CSC[C@H](C)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1 12385834 VZZRQVYHPTUWFU-AWEZNQCLSA-N 354.947 4.522 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]32C)OCCO1 257350158 VFBOQACQHXYULH-XMFXIZTASA-N 360.538 4.977 0 50 FJAA Fc1ccc(Oc2ncc(-c3ccc4c(c3)OC(F)(F)O4)cn2)c(F)c1 1875326180 DDQIGLXZPSDNEB-UHFFFAOYSA-N 364.254 4.536 0 50 FJAA Cc1ccnc(CSc2ccccc2C(=O)N[C@H]2CC[C@H](C)CC2)c1 2325895263 NRHXVLXTIMFYFI-JCNLHEQBSA-N 354.519 4.991 0 50 FJAA Cc1cccc(C(=O)N/C(=C/c2ccccc2F)c2nc3ccccc3[nH]2)c1 4756206 KZMBGNNKBDWPKQ-KGENOOAVSA-N 371.415 4.939 0 50 FJAA O=C(O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1 40451258 MOKIYLJPWZICNR-KRWDZBQOSA-N 373.408 4.583 0 50 FJAA CCSc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 47857857 YIQXTQPICFLRKI-QGZVFWFLSA-N 360.454 4.543 0 50 FJAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccccc1F 67434957 VPFXRLRWCPSSNC-UHFFFAOYSA-N 350.393 4.560 0 50 FJAA COc1ccc(C(=O)[C@@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 71770272 YSOBXGPXNAQWAJ-QFIPXVFZSA-N 374.436 4.943 0 50 FJAA COCc1nn2c(-c3cccs3)ccnc2c1-c1cccc(Cl)c1 72119394 LRSXEYJPOSHBMQ-UHFFFAOYSA-N 355.850 4.925 0 50 FJAA Cc1cccc([C@@H](NC(=O)N2CCC3(CCCO3)CC2)c2cccs2)c1 584886184 GOBGCTUAXFJMKH-LJQANCHMSA-N 370.518 4.501 0 50 FJAA CCN(CC(F)(F)F)C(=O)c1ccc(-c2nc(C)nc3ccccc23)cc1 584890207 RCPWXEFZQAAXFI-UHFFFAOYSA-N 373.378 4.630 0 50 FJAA COC(=O)c1ccc(-c2cc3cccc(OC)c3o2)cc1OC(F)(F)F 1875405337 DEDXSJINBORZLS-UHFFFAOYSA-N 366.291 4.794 0 50 FJAA CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCC2 722331 YSBRSPHZOLYFOR-UHFFFAOYSA-N 364.470 4.991 0 50 FJAA CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](c1ccccc1)S3 1179977 GTNCEBSPJCHISY-MBSDFSHPSA-N 374.509 4.981 0 50 FJAA O=C(Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1256054 MVDMDPQBDUKOOP-UHFFFAOYSA-N 362.395 4.877 0 50 FJAA Cn1nc(-c2ccccc2)c(C=O)c1Sc1ccc(Br)cc1 1388755 QBGLDFCJVXLSKX-UHFFFAOYSA-N 373.275 4.813 0 50 FJAA CCCC(CCC)c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 2843805 PBFFLKHMBZZCAU-UHFFFAOYSA-N 367.902 4.893 0 50 FJAA Cn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 3902098 JFSGGRAIMKZNAB-LTGZKZEYSA-N 354.409 4.928 0 50 FJAA O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 4521963 GCELTOKSAMVDQQ-UHFFFAOYSA-N 367.514 4.955 0 50 FJAA O=C(Nc1ccccc1Br)N1CCC[C@H]1c1cccs1 15837557 SZTQQDIBGSKKEE-ZDUSSCGKSA-N 351.269 4.880 0 50 FJAA c1ccc(CCCN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 19789963 PWPSXAATMHNVGS-UHFFFAOYSA-N 362.561 4.963 0 50 FJAA Cc1cc(NC(C)C)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 21799222 RQTKUOURFUJORI-UHFFFAOYSA-N 352.335 4.683 0 50 FJAA Cc1ccc(CN(C(=O)c2cc(CC(C)C)nn2C)C2CCCC2)s1 91434308 DZBAOJSVWPIQHQ-UHFFFAOYSA-N 359.539 4.574 0 50 FJAA O=C(Nc1ccccc1Br)c1cncc(-c2ccccc2)c1 158277276 ZOHOEPQEWUOLQL-UHFFFAOYSA-N 353.219 4.763 0 50 FJAA 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 226946974 DXVUAPWZLBEGEU-JHNDHUHGSA-N 362.256 4.641 0 50 FJAA COCC[C@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1 426509287 DURFQXVAUFFDLY-GOSISDBHSA-N 373.880 4.744 0 50 FJAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@@H]2CCC[C@@H]21 429979115 ZGKWZUKZDDFXSY-NOXFTYBFSA-N 373.500 4.884 0 50 FJAA O=C(c1ccc(Cl)c(NCc2c(F)cccc2F)c1)N1CCCCC1 779738940 AXBNCVJPUKMVQP-UHFFFAOYSA-N 364.823 4.856 0 50 FJAA CCN1CCC(CC(=O)Nc2ccc(Oc3ccccc3OC)cc2)CC1 952980711 RUKNDUBKXQRUNT-UHFFFAOYSA-N 368.477 4.548 0 50 FJAA CC1(C)Cc2nc(O)c(-c3noc(C[C@@]45CCC[C@H]4C5)n3)cc2C(C)(C)C1 1875356148 HKILOVXKQUBHGQ-XMHCIUCPSA-N 367.493 4.820 0 50 FJAA Oc1ccc2c(c1)[C@H](N[C@@H]1CCOc3c1ccc(Cl)c3Cl)CC2 2325756279 VONODJZZFWJQOD-HZPDHXFCSA-N 350.245 4.800 0 50 FJAA FC(F)(F)c1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)CCCC2 657243 DBDCCKMGTFYUNA-UHFFFAOYSA-N 351.759 4.947 0 50 FJAA Clc1ccc(Cn2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1 702821 KORJCDSTSQKAMU-UHFFFAOYSA-N 370.243 4.925 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2)cc1 724379 VHNWAHXJMWPDCA-UHFFFAOYSA-N 367.861 4.529 0 50 FJAA CC[C@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 1127719 HFGMSBAFULHLGN-QFIPXVFZSA-N 372.468 4.749 0 50 FJAA CCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 2235378 KLGGCTBWVNWCPF-UHFFFAOYSA-N 366.248 4.777 0 50 FJAA COc1ccc2[nH]c(SCC(=O)c3ccc(Cl)c(Cl)c3)nc2c1 3877041 RNIKAWMJDIHKRY-UHFFFAOYSA-N 367.257 4.853 0 50 FJAA COc1ccc(Br)cc1CNC12CC3CC(CC(C3)C1)C2 4685561 UCAHJECAHMOSHI-UHFFFAOYSA-N 350.300 4.516 0 50 FJAA O=C(c1ccccc1)C(Br)(Br)c1ccccc1 5870741 UEDASOOILMAVCN-UHFFFAOYSA-N 354.041 4.512 0 50 FJAA c1ccc2c(-c3n[nH]cc3CN3CCC[C@@H](CN4CCCC4)C3)cccc2c1 19743349 MPLYYTUWBSDDOO-IBGZPJMESA-N 374.532 4.538 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccnc2)on1 20137639 IYJRFOCUUFOXFB-UHFFFAOYSA-N 367.714 4.661 0 50 FJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1Cc1cnc2ccccc2c1 67871351 QNYBDUQLSNIRIT-UHFFFAOYSA-N 365.440 4.845 0 50 FJAA Cc1c(O)cccc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 72137157 MXEOLMGPAGMKFY-IBGZPJMESA-N 352.478 4.541 0 50 FJAA O=C(CCCN1CC=C(Oc2ccc(F)cc2)CC1)c1ccc(F)cc1 95918156 ANVINHYHCRGZJM-UHFFFAOYSA-N 357.400 4.596 0 50 FJAA CN1[C@H]2C=C(N(C(=O)c3ccc(Cl)cc3)c3ccccc3)C[C@H]1CC2 100295193 PAAJTXSXVPEGFW-RTBURBONSA-N 352.865 4.737 0 50 FJAA biogenic COc1ccccc1[C@H](C)NC(=O)c1cc2cccc(C)c2nc1Cl 239654168 BMUAYJSIKQSPFT-ZDUSSCGKSA-N 354.837 4.696 0 50 FJAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 329401418 YBOVWNXTANFMQD-ZSYWTGECSA-N 365.477 4.617 0 50 FJAA CC[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 333028666 LNTQWFXQBHLQLF-IRWQIABSSA-N 358.507 4.501 0 50 FJAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 333601030 CQTHUYCCTGRQOD-LPHOPBHVSA-N 366.509 4.878 0 50 FJAA Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)nc3scnn23)cc1 334162980 SWYSJBOLWPALLQ-UHFFFAOYSA-N 368.849 4.672 0 50 FJAA CC(C)c1nc(-c2nccn2CCCN2CCCc3ccccc32)co1 1857687154 OZZIPRMPRFVUDD-UHFFFAOYSA-N 350.466 4.504 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2ccnc3ccc(C)cc23)C[C@H](C(C)C)O1 1857739597 WZGPOZDBQRDVFV-DYESRHJHSA-N 354.494 4.599 0 50 FJAA C[C@H](c1ccccc1SCCCn1c(O)nc2ccccc21)N(C)C 1875362303 ZITXETPPQBZCRY-OAHLLOKOSA-N 355.507 4.547 0 50 FJAA Cn1nc(C(F)(F)F)cc1C(=O)N(C1CCCCC1)C1CCCCC1 2774904 KJYVEHKUXORBGY-UHFFFAOYSA-N 357.420 4.547 0 50 FJAA O=C1CC(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 6062795 ALRNOGGVCXWQPL-UHFFFAOYSA-N 373.890 4.835 0 50 FJAA Nc1c(C(=O)NCc2ccccc2)sc2nccc(Nc3ccccc3)c12 22780233 SWGNJMAKDDNSSK-UHFFFAOYSA-N 374.469 4.552 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)on1 33269975 FYYWTUYEKQNHPN-KRWDZBQOSA-N 369.396 4.569 0 50 FJAA Cc1cccc2cc(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)oc12 67821121 KPBNCELTYSADIS-GOSISDBHSA-N 355.821 4.608 0 50 FJAA O=C(c1ccncc1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71762155 CSYVHQIEXKPZRA-MRXNPFEDSA-N 362.395 4.585 0 50 FJAA Cc1nccc(-c2ccccc2)c1C(=O)N(C)Cc1csc(C(C)C)n1 95360954 HGFLXIYFJGWYSV-UHFFFAOYSA-N 365.502 4.909 0 50 FJAA Cc1nc(-c2cccc(NC(=O)N(C)Cc3cc(C(C)C)no3)c2)cs1 95526258 JICIHSCHTVDVPL-UHFFFAOYSA-N 370.478 4.894 0 50 FJAA CC(C)(C)Oc1ccccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 184361764 JYMSFUMHMRRPDQ-JOCHJYFZSA-N 366.461 4.527 0 50 FJAA Cc1cc(NCc2ccc(Oc3cccc(F)c3)cc2)ccc1C(N)=O 225498417 ZCJAXTRQEKUGGN-UHFFFAOYSA-N 350.393 4.637 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 634960 RNAOGZCTQGOWTJ-UHFFFAOYSA-N 353.205 4.814 0 50 FJAA CCn1c(SCc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 731854 SFNJGEOGPSMRQG-UHFFFAOYSA-N 370.543 4.957 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(Cl)c1 792505 HCIFYXJBWXUFID-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA Cc1ccc(C)c(OCC(=O)NC(c2ccccc2)c2ccccc2)c1C 951205 LFRJAGHTRYDQMH-UHFFFAOYSA-N 359.469 4.896 0 50 FJAA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1426702 UNCXONLHAFMEHP-SFHVURJKSA-N 372.468 4.690 0 50 FJAA aggregator CCCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 1781056 BBEHQXMDYJVTKZ-UHFFFAOYSA-N 355.434 4.685 0 50 FJAA Cn1nc(C2CC2)c2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc21 2741054 FIBHTNJKOUGWFT-UHFFFAOYSA-N 351.759 4.940 0 50 FJAA CCCCN1C(=O)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C1=O 2846053 AAZTTZDKMJKEDI-UHFFFAOYSA-N 354.793 4.544 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1C 4827941 YHUKOMWFVLKVFB-UHFFFAOYSA-N 370.408 4.724 0 50 FJAA COc1ccc(C)cc1NC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6573250 JJMHTMNMXYSFSU-HILYYZTDSA-N 358.551 4.895 0 50 FJAA CCOc1ccc(CN2CCOc3ccc([C@@H](O)CC(C)C)cc3C2)cc1 12052914 IYAKTSWFGSXLRA-QFIPXVFZSA-N 369.505 4.559 0 50 FJAA O=C(c1cccc2ccccc12)[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 12570504 MQCQUXZBFLXOID-HNNXBMFYSA-N 363.379 4.604 0 50 FJAA COc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1 42925950 AWEPPBSSRJCQGI-GOSISDBHSA-N 365.452 4.604 0 50 FJAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3[nH]2)c1 67840077 AZSRXDFCPIVSEF-UHFFFAOYSA-N 369.852 4.556 0 50 FJAA CC(C)(C)c1ccc(C2(CNC(=O)c3ccc[nH]c3=S)CCC2)cc1 133301516 IHRQWFOTGQBJRZ-UHFFFAOYSA-N 354.519 4.893 0 50 FJAA C[C@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1cnc2ccsc2c1 170592757 BWXWVGMKNDDVLF-LBPRGKRZSA-N 355.438 4.735 0 50 FJAA CC[C@H]1c2ccsc2CCN1C(=O)Nc1cn(-c2ccccc2)nc1C 183709040 JWZRTFKVGWIFOI-SFHVURJKSA-N 366.490 4.784 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccc(F)c(F)c1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 245256531 QOSKTUBJFPMFKX-QIHWDGOPSA-N 355.384 4.960 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1 426632892 OVXRPMLWZOAKON-GOSISDBHSA-N 373.880 4.744 0 50 FJAA Cc1ccccc1C1CC(N(C(=O)c2ccc(C3CC(=O)C3)cc2)C2CC2)C1 1857528118 GAAQDQMXBVXFNF-UHFFFAOYSA-N 373.496 4.992 0 50 FJAA O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 1875336346 XKZVUKNCGGORHV-DFQSSKMNSA-N 355.428 4.616 0 50 FJAA O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccs1 675615 DYYZNWNLZQKZIH-UHFFFAOYSA-N 354.456 4.667 0 50 FJAA Cc1cc(=O)oc2c(C)c(OCC(=O)c3ccc4ccccc4c3)ccc12 1117210 SNVNATSLXZBXIV-UHFFFAOYSA-N 358.393 4.825 0 50 FJAA biogenic O=C(CSc1nc2ccccc2[nH]1)n1c2c(c3ccccc31)CCCC2 1168533 GZUPHNNHTPRVIQ-UHFFFAOYSA-N 361.470 4.829 0 50 FJAA CC(=O)c1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 2741972 OMQZYULDUYEWNI-UHFFFAOYSA-N 354.793 4.758 0 50 FJAA COc1cccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 4980225 BYPYMPLRVUSQHR-UHFFFAOYSA-N 370.496 4.589 0 50 FJAA CC1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 5499966 WMAKCSUVONRKJI-INIZCTEOSA-N 357.251 4.729 0 50 FJAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)Nc2ccccc2F)c1C 12373662 PCONAGQBNHRCCA-AWEZNQCLSA-N 352.413 4.511 0 50 FJAA CC(=O)c1cc(CN2CCC(CO)(CCCc3ccccc3)CC2)cs1 14956209 USIIDLYUPMDITC-UHFFFAOYSA-N 371.546 4.548 0 50 FJAA COCc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)o1 19720631 UTSHAUOQAWYAII-QFIPXVFZSA-N 367.420 4.701 0 50 FJAA COc1cc(CN[C@@H](C)c2cn3ccsc3n2)ccc1OCC=C(C)C 55401951 ARZLASQSPADDFH-HNNXBMFYSA-N 371.506 4.600 0 50 FJAA COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1Cc1cc(C)on1 65372375 BICKWNMHEOZOFA-UHFFFAOYSA-N 359.429 4.879 0 50 FJAA CC(C)C1CCN(Cc2ccccc2-c2nc(C3CCC3)cc(=O)[nH]2)CC1 67712876 ZKFZORCITHWZNB-UHFFFAOYSA-N 365.521 4.572 0 50 FJAA 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 244874142 WVHKCBDRQIXZLC-CCMMITDPSA-N 360.494 4.582 0 50 FJAA CC1(C)CN(C(=O)Nc2nc3ccccc3s2)CC[C@H]1C(F)(F)F 252498633 RGMHVYRKTKTDRM-GFCCVEGCSA-N 357.401 4.739 0 50 FJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ncsc1C(C)C 290077015 ZCQLZQTXHSJUQM-AWEZNQCLSA-N 361.515 4.756 0 50 FJAA COc1ccc2cc(CNCc3ccco3)c(N3CCCCCC3)nc2c1 299769355 PCVNNGAVWKWHML-UHFFFAOYSA-N 365.477 4.507 0 50 FJAA CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 1458275058 HDIVWEALCYGIPV-JLTOFOAXSA-N 364.424 4.518 0 50 FJAA Cc1cc(N2CCC(c3nc(C(C)C)no3)CC2)c2cc(F)ccc2n1 1529120870 QLGGQDOXWVRPNX-UHFFFAOYSA-N 354.429 4.573 0 50 FJAA c1ccc(C2(c3csc(N4CCc5ccccc54)n3)CCNCC2)cc1 2356135978 BDJCUHDOVUCWDP-UHFFFAOYSA-N 361.514 4.507 0 50 FJAA Brc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1 753818 UWIMEJHZWUOYHS-UHFFFAOYSA-N 354.251 4.660 0 50 FJAA COc1ccc(Oc2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1 945047 AVGDPGKOFWMPPD-UHFFFAOYSA-N 368.385 4.545 0 50 FJAA biogenic COc1ccccc1COc1ccc2c3c(c(=O)oc2c1C)CCCCC3 1155915 YVPKOJHIVHAIEP-UHFFFAOYSA-N 364.441 4.958 0 50 FJAA biogenic CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 1188716 KLCNOBUAAHEFHU-UHFFFAOYSA-N 357.397 4.804 0 50 FJAA COC(=O)c1ccc(COc2ccc3ccccc3c2Br)o1 2537049 JZZUNEKSJVPRGR-UHFFFAOYSA-N 361.191 4.561 0 50 FJAA COc1cc(OC)c(CN2CCC[C@H]3CCCC[C@@H]32)cc1Br 4022267 HTDDXJUOHOGXSM-CJNGLKHVSA-N 368.315 4.621 0 50 FJAA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2ccccc2)cc1 4917055 JIZFCKBJUGBYHW-UHFFFAOYSA-N 361.485 4.964 0 50 FJAA Brc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 5648553 YYNQORMEBIHFOK-UHFFFAOYSA-N 371.263 4.561 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC[C@H]2CCCO2)cc1 6153027 PJHOKSXKMIVPAN-QGZVFWFLSA-N 365.351 4.516 0 50 FJAA CC(C)(C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12151428 PVBLDAFDSWPGGP-KRWDZBQOSA-N 361.489 4.982 0 50 FJAA Cc1c(CN(C)Cc2cn(C)nc2-c2ccccc2F)[nH]c2ccccc12 12750438 VNYLGEAYZFFEEM-UHFFFAOYSA-N 362.452 4.648 0 50 FJAA Cc1ccc(-c2c(C(F)(F)F)nn3c(N4CCCC4)cc(C)nc23)cc1 21799410 VNJGJHYQCSBFGH-UHFFFAOYSA-N 360.383 4.632 0 50 FJAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\CCC(=O)O 34961950 DPZIOENSPXELQY-AEDOYBSQSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3ccccc3-n3cccn3)c(C)c2c1 91547145 NQUOJRVNYGOSPZ-UHFFFAOYSA-N 372.472 4.551 0 50 FJAA CC(C)[C@H](NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccnc1 534648540 BIKSBECSDJNXLN-NRFANRHFSA-N 362.477 4.634 0 50 FJAA C[C@@H](NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(C(F)F)nc1 850555666 MACJAWBGICEBPV-RFAUZJTJSA-N 361.219 4.710 0 50 FJAA C[C@@H](OC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccncc1 860208172 SDXQZGQMTMGQJR-BDJLRTHQSA-N 368.260 4.752 0 50 FJAA COc1cccc2c(C)cc(N3CCC([C@@H](O)c4cccs4)CC3)nc12 1506403285 STHQGSUNRMEEMC-OAQYLSRUSA-N 368.502 4.563 0 50 FJAA CCc1cccc2c(C(=O)COC(=O)c3ccc(F)c4occc34)c[nH]c12 1875359948 UPOFCGXBVMMWEV-UHFFFAOYSA-N 365.360 4.655 0 50 FJAA Cc1ccc2c(C3CCN(Cc4cn5cccc(F)c5n4)CC3)c[nH]c2c1 2325720058 UMXBVGYEVBZJIN-UHFFFAOYSA-N 362.452 4.643 0 50 FJAA Cc1csc(Oc2ccc(NC(=O)/C=C/c3cccnc3)cc2Cl)n1 2325743462 BOHGXQRMUUPIDL-QPJJXVBHSA-N 371.849 4.944 0 50 FJAA CCSCc1ccc(NCc2cccc(OCCn3ccnc3)c2)cc1 2325750510 SVERORYDDLTWOR-UHFFFAOYSA-N 367.518 4.827 0 50 FJAA CC(C)(C)c1ccc(C(=O)N2CCc3ccccc32)cc1Br 675295 SIDCKVSHGWWNKD-UHFFFAOYSA-N 358.279 4.950 0 50 FJAA O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2cc3c(cc2N1)OCO3 1068693 NDKUVFGJOKBPRI-KRWDZBQOSA-N 359.381 4.682 0 50 FJAA O=C(Nc1ccc2ccccc2c1)c1cccc(I)c1 1098931 ITTOTAKTDITIIA-UHFFFAOYSA-N 373.193 4.697 0 50 FJAA CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1152284 MMURAUTVJXJODU-UHFFFAOYSA-N 357.759 4.939 0 50 FJAA CC(C)(C)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1200032 ZHKYBZIORYFQDC-UHFFFAOYSA-N 365.517 4.844 0 50 FJAA CCCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1 1904244 QSCSUJKNEJIHPF-UHFFFAOYSA-N 368.458 4.860 0 50 FJAA CCOC(=O)CCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2134606 OXUOSJMFYIKOPR-UHFFFAOYSA-N 368.458 4.554 0 50 FJAA CCN(CC)C(=S)SCC(=O)Nc1ccc2c(c1)oc1ccccc12 3669480 KWGGGBDFCOJRNZ-UHFFFAOYSA-N 372.515 4.884 0 50 FJAA COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 3898800 SFXYYHFNZKZXMO-REWPJTCUSA-N 356.425 4.938 0 50 FJAA CCCCCN(CCCCC)C(=O)[C@H](C(=O)OCC)C1CCCCC1 5245019 PJNMGMKDBPBZJR-LJQANCHMSA-N 353.547 4.955 0 50 FJAA O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccco3)cc(C(F)F)c12 20603450 YTETXSZETYQZLI-UHFFFAOYSA-N 363.389 4.767 0 50 FJAA O=C1c2cc(Br)sc2-c2sc(Br)cc21 82049804 IEFCEPPVOWHLLE-UHFFFAOYSA-N 350.056 4.546 0 50 FJAA O=C(Nc1ccnc(Oc2ccccc2)c1)[C@H]1CCCO[C@H]1c1ccccc1 170626771 XPCLATSMQPAENO-UNMCSNQZSA-N 374.440 4.980 0 50 FJAA O=C(c1nccc2ccccc12)N1CCC[C@H](c2cc(F)ccc2F)C1 191201802 CHBDQHKMMSFINE-HNNXBMFYSA-N 352.384 4.533 0 50 FJAA COc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 252498913 RQCRTUAQXGWDSC-UHFFFAOYSA-N 369.442 4.597 0 50 FJAA CCN(C(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 676699 VOTNUNPXJONIBS-UHFFFAOYSA-N 353.274 4.535 0 50 FJAA O=C(Nc1cccc(Cl)c1N1CCCCC1)C(Cl)(Cl)Cl 1065204 FNVPTUFPMNJQHR-UHFFFAOYSA-N 356.080 4.639 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c1 1165839 NPPNGEWPHNJSER-UHFFFAOYSA-N 366.266 4.543 0 50 FJAA O=C(O)[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 1168491 HARVQWZXNSNBQV-JOCHJYFZSA-N 372.376 4.665 0 50 FJAA biogenic CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc2c1 1515038 PGGMBMSEEJMUFP-UHFFFAOYSA-N 370.836 4.545 0 50 FJAA O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)O 2850338 PONYFNURWSZVPA-UHFFFAOYSA-N 370.257 4.564 0 50 FJAA COc1cc(C)ccc1OCCOc1ccc(Cl)cc1Br 2991136 CARJZSIMOHFVSN-UHFFFAOYSA-N 371.658 4.877 0 50 FJAA COc1cc2c(cc1NC(=O)c1ccc3c(c1)OCO3)oc1ccccc12 4197224 NNXYSMIQECFDPG-UHFFFAOYSA-N 361.353 4.576 0 50 FJAA aggregator Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 11911524 CGPNREFTMCXNJP-OAQYLSRUSA-N 373.500 4.700 0 50 FJAA CC(C)(C)c1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2Cc2ccccc2)cc1 12336764 CRPGJWHGKJNBKZ-PZJWPPBQSA-N 365.473 4.549 0 50 FJAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2F)no1 21525333 SPOBOVXGVIXYOI-LJQANCHMSA-N 350.393 4.766 0 50 FJAA CCCN1CCC(Cc2noc(-c3oc4c(F)cccc4c3C)n2)CC1 77321079 WKKMSECQMOPIQO-UHFFFAOYSA-N 357.429 4.595 0 50 FJAA CCN(CC)CCCOC(=O)c1ccccc1Nc1cccc(C)c1C 96026992 QUGJAQKNPJACDS-UHFFFAOYSA-N 354.494 4.936 0 50 FJAA CC(C)c1noc([C@H]2CCCCN2Cc2cncn2C2CCCCC2)n1 244816797 SOPVTVZCGYGVSF-GOSISDBHSA-N 357.502 4.622 0 50 FJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@@H]1[C@@H]1CCCc2ccccc21 372039733 VLCHKGGBBXCNBP-RTBURBONSA-N 365.477 4.977 0 50 FJAA COc1cc(NC(=O)c2sccc2Cl)ccc1NC(=O)CC(C)C 824596661 HANYWUNRAVLBPI-UHFFFAOYSA-N 366.870 4.647 0 50 FJAA CCCCCn1cc(C(=O)N[C@H](C)[C@@](C)(OC)C2CC2)c2ccccc21 1875357634 OOEFNTYGURRSEC-OPAMFIHVSA-N 356.510 4.765 0 50 FJAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cccs1 953700 WIXNQNFGDJBZPC-UHFFFAOYSA-N 374.531 4.567 0 50 FJAA CCCCN1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2OC)C1=O 2814842 DHTUEQGXDMUUDE-GHXNOFRVSA-N 360.262 4.838 0 50 FJAA CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 4725288 HOWIUQOBBVQZBA-NXVVXOECSA-N 359.473 4.729 0 50 FJAA CCc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 6709523 SJJWDTFVKFSCAU-UHFFFAOYSA-N 374.412 4.668 0 50 FJAA CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 71769308 OKARETPOLGJSFX-UXHICEINSA-N 363.423 4.825 0 50 FJAA Cc1nc(O)cc(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)n1 72168433 HPNVWBNVLYHBJU-UHFFFAOYSA-N 359.473 4.537 0 50 FJAA Cc1ccc(S[C@@H](C)C(=O)NC2CCN(c3cccc(C)c3)CC2)cc1 219032012 LKYBSNQBAHSXAU-SFHVURJKSA-N 368.546 4.569 0 50 FJAA CCO[C@]12c3ccccc3O[C@@H](c3ccc(F)cc3)[C@H]1C2(Cl)Cl 230029179 XMVVCRVUKADPAS-GVDBMIGSSA-N 353.220 4.995 0 50 FJAA CCCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C(C)C 231419675 QRCLQFMIJBZUSO-UHFFFAOYSA-N 372.490 4.576 0 50 FJAA CN(C)Cc1csc(CNC[C@H](c2ccccc2)N2CCCCCC2)c1 952971639 KWLYUQUTPDQKHR-JOCHJYFZSA-N 371.594 4.517 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C)c4ccc(SC)cc4n3)C[C@@H]21 1704332491 XVMGONRNYGOBFM-FYINFDKHSA-N 356.535 4.643 0 50 FJAA Cn1cc(CNC[C@@H]2CCC[C@H]2c2ccccc2)c(-c2cccc(F)c2)n1 1875306940 QJVLYHNQCOGMHZ-UGKGYDQZSA-N 363.480 4.900 0 50 FJAA COC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCCC2 694933 FLGBAPKSXVYEOA-UHFFFAOYSA-N 358.463 4.838 0 50 FJAA CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)C(C)C)c2ccccc21 855963 NZUKXTSTQIFSJP-KKSFZXQISA-N 350.462 4.562 0 50 FJAA COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1013591 QOJJXXZERVSEER-UHFFFAOYSA-N 352.217 4.604 0 50 FJAA CCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 1175472 CUFTUSURWIDIQH-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA CCCC(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 1204210 HWHHAJIUAHNKMF-UHFFFAOYSA-N 359.223 4.996 0 50 FJAA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccccc1 1218962 JCFSXNKVDAFLGO-UHFFFAOYSA-N 358.397 4.685 0 50 FJAA CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1 2444248 QVYDVJLFIPBLEC-UHFFFAOYSA-N 363.895 4.655 0 50 FJAA aggregator O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1 2738908 LIKRIXXFHXBUBR-UHFFFAOYSA-N 350.230 4.764 0 50 FJAA O=C1c2ccccc2O[P@@](=O)(Oc2ccccc2)N1c1ccccc1 3172386 DTJYDDKHFGIPLH-VWLOTQADSA-N 351.298 4.913 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3ccc(SC)cc3)c2C)cc1 15068469 VSGKVWWOJDQQHQ-OAHLLOKOSA-N 367.518 4.762 0 50 FJAA COc1ccc(CCN(C)Cc2ccc(Cl)c(Cl)c2)cc1OC 19606823 IDJUESGGDPXXMC-UHFFFAOYSA-N 354.277 4.685 0 50 FJAA CC(C)c1ccc(NC(=O)N2CCC(c3nccn3C(C)C)CC2)cc1 91793365 PBRISXBZIUKEKC-UHFFFAOYSA-N 354.498 4.999 0 50 FJAA CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc([C@@H]2CCCNC2)cc1 95377875 UYUYPNXKRVKVOU-QGZVFWFLSA-N 374.887 4.608 0 50 FJAA Cc1nc(-c2cc([C@H](C)N[C@@H](C)c3nnc4n3CCCC4)cs2)cs1 130961227 GGZSAJUIUKGONC-RYUDHWBXSA-N 373.551 4.520 0 50 FJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCO[C@@H]1c1ccccc1 170591286 GULXEYVMEVZLMY-SUMWQHHRSA-N 366.244 4.805 0 50 FJAA CCc1cnc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 174231504 NDUQFLKBNHVPLI-CYBMUJFWSA-N 358.492 4.684 0 50 FJAA Cc1ccc(-c2c(C)sc3nc([C@H]4CCO[C@H](C)C4)[nH]c(=O)c23)cc1 225559678 QMNRYINLNNVNGV-DOMZBBRYSA-N 354.475 4.551 0 50 FJAA c1ccc(C[C@@]23[C@H]4[C@H]5[C@@H]6[C@H]7[C@@H]8[C@@H]9C[C@H]([C@@H]%10[C@@H]9[C@H]7[C@H]5[C@@H]%102)[C@@H]3[C@@H]2C[C@H]8[C@H]6[C@@H]24)cc1 257358602 VGIIOXNEVDKDQW-CIQIKHRGSA-N 352.521 4.607 0 50 FJAA COc1ccc(-n2nc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2C)cc1 1352369481 GGZNMNFOLFFAQG-FUHIMQAGSA-N 368.477 4.705 0 50 FJAA COC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@H](c1ccccc1)C2 673173 SHUDDPOIQCISLK-HNNXBMFYSA-N 369.486 4.546 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c1C 1155591 GCDFFUJDUGWYMZ-UHFFFAOYSA-N 365.410 4.612 0 50 FJAA biogenic O=C(C[C@@H](NC1CCCCC1)C(=O)O)c1ccc(C2CCCCC2)cc1 2570981 JHMCFSSMQCJLIA-HXUWFJFHSA-N 357.494 4.683 0 50 FJAA CC(C)COC[C@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1 3830283 UIEATEWHFDRYRU-DEOSSOPVSA-N 366.549 4.830 0 50 FJAA biogenic,world c1ccc(COc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 4853346 CCKURGAAKIZSNT-UHFFFAOYSA-N 358.397 4.895 0 50 FJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 9259386 ZFMYNGZWCNXCRB-UHFFFAOYSA-N 354.450 4.711 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](Nc2ccccc2)C1 11667846 GBCKUNIUYMZUAG-HNNXBMFYSA-N 369.515 4.588 0 50 FJAA Cc1cccc(-c2nc(CNC(=O)c3ccc(F)cc3Cl)cs2)c1 17074345 JRTQUGFQKCVSDN-UHFFFAOYSA-N 360.841 4.841 0 50 FJAA CC(=O)c1cc(CC(=O)N2CCC(Sc3ccc(C)cc3)CC2)cs1 97674429 SRBWWYHCBVETSW-UHFFFAOYSA-N 373.543 4.585 0 50 FJAA Cc1c(-c2ccccc2)sc2ncn(Cc3cccc(Cl)n3)c(=O)c12 170644270 WRQRMXUVFGPCGY-UHFFFAOYSA-N 367.861 4.530 0 50 FJAA CC(=O)Nc1cccc([C@H](C)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 252533192 GFIKGCLTMJWPPT-ITEAAPOESA-N 368.477 4.500 0 50 FJAA C[C@H]1CCC(=O)N[C@@H]2C(=O)[C@@]3(C)[C@H]1CC[C@@H]3[C@H]1CC[C@H]3CCCC[C@]3(C)[C@H]21 254371837 DVKKOXLBDFKRNO-BUUSQNGVSA-N 371.565 4.739 0 50 FJAA Cc1cc([C@@H]2CCCCN2C(=O)Nc2ccc3sc(C)nc3c2)no1 299772383 VMWPTSBWXPSXTB-INIZCTEOSA-N 356.451 4.660 0 50 FJAA CCOC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1N 526061662 MVSMZQRRMPUGHI-UHFFFAOYSA-N 371.334 4.607 0 50 FJAA O=C(O[C@H]1COC[C@@H]1CC1CC1)c1ccc(OCC2CCCCC2)cc1 1875357840 YRDYNTLMJFGTTB-FPOVZHCZSA-N 358.478 4.618 0 50 FJAA O=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CCC2(CCCC2)C1 2325738046 GVJHTFAXHARBQT-UHFFFAOYSA-N 356.853 4.934 0 50 FJAA CC(C)(C)c1ccc(C2(CNC(=O)CCc3cncc(F)c3)CCC2)cc1 2325757826 GJUKOZGHACFOMM-UHFFFAOYSA-N 368.496 4.689 0 50 FJAA COc1ccc2ccccc2c1[C@@H]1OC(=O)C2(CCCCC2)C(=O)C1(C)C 974354 UXCFPPDTAMITGF-IBGZPJMESA-N 366.457 4.992 0 50 FJAA CN(Cc1nc(-c2ccccc2)cs1)C(=O)NC1(c2ccccc2)CC1 1087924 ZWDVEWGXRQFFDN-UHFFFAOYSA-N 363.486 4.641 0 50 FJAA CC(C)C(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 1120579 TXDYHTAVLJRECA-UHFFFAOYSA-N 362.882 4.665 0 50 FJAA CCN(CC)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 1135338 SXJZFVBAKKDBGH-ZDUSSCGKSA-N 367.518 4.623 0 50 FJAA Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1183502 LMFACFYOKLSZII-SOFGYWHQSA-N 365.285 4.828 0 50 FJAA Cc1cccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc(C)c2)c1 1201212 DQEGHTNDGOMYTH-KGENOOAVSA-N 374.440 4.614 0 50 FJAA COc1ccc(CN(Cc2ccco2)C(=S)Nc2ccccc2)cc1 2769843 GGQLPEFJSMFMJK-UHFFFAOYSA-N 352.459 4.687 0 50 FJAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2849386 DUJIHUGNCKSACG-MRXNPFEDSA-N 362.429 4.845 0 50 FJAA O=C(Nc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)c1ccncc1 4729129 VNRVAHIQFLNCLD-IZZDOVSWSA-N 368.396 4.554 0 50 FJAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc(Cl)cc1Cl 10155750 QEXFLMRFKCZTKX-CYBMUJFWSA-N 366.244 4.804 0 50 FJAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccoc4)C3)C2)cc1 12430921 MMZSNZZOTNQCEE-QHCPKHFHSA-N 366.505 4.531 0 50 FJAA CCc1ccc(-c2csc(NC(=O)CC3(CC(=O)O)CCCC3)n2)cc1 17076331 AWKQGGXKAAXHBG-UHFFFAOYSA-N 372.490 4.736 0 50 FJAA C[C@H]1CN(CCCCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 20168453 SGTHCPWGCBTTQS-OALUTQOASA-N 355.478 4.747 0 50 FJAA Clc1nc2ccccc2cc1-c1nnc2c(Cl)nc3ccccc3n12 43573895 DSVWGBFQRZPMGO-UHFFFAOYSA-N 366.211 4.800 0 50 FJAA C[C@H](O)CCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21 95726695 USLCLHHNJHEBGL-INIZCTEOSA-N 374.440 4.570 0 50 FJAA in-vitro O=C(c1cccnc1-c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1 97532602 UQIQGZXKLWBGGH-UHFFFAOYSA-N 354.759 4.657 0 50 FJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)c(C)nc2c1 97619442 AIMRYLIIUDICFL-OAQYLSRUSA-N 362.477 4.645 0 50 FJAA COCc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2cc(C)sc2C)o1 162703889 LNTINKGGVRLXCM-SUMWQHHRSA-N 362.495 4.712 0 50 FJAA C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)c1ccc(Cl)cn1 225555163 LIWJYMYSIQVHHG-OAHLLOKOSA-N 372.896 4.866 0 50 FJAA Cc1ccc2c(c1)CN(C(=O)c1ccc(C(=O)c3cc[nH]c3)cc1)C(C)(C)C2 1450165514 NAKFOTOHHDTDCE-UHFFFAOYSA-N 372.468 4.531 0 50 FJAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2ccccc2)cc1 921908 JBLCOWCLVDCTJY-FQEVSTJZSA-N 374.465 4.795 0 50 FJAA Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccs2)cc1 1190941 ZDDPMNKGBYSLKY-VBKFSLOCSA-N 368.483 4.528 0 50 FJAA O=C(COc1ccccc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 1211903 BFFUOPPQZHYKCM-UHFFFAOYSA-N 362.360 4.651 0 50 FJAA CCc1cccc(CC)c1N(C(=O)CC1CCCCC1)[C@@H](C)C(=O)OC 1230696 WHIDDYLJJPPIHO-INIZCTEOSA-N 359.510 4.676 0 50 FJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1 2284613 KGMOFGFMFGPARJ-CYBMUJFWSA-N 356.426 4.863 0 50 FJAA Cc1cc(OCc2ccccc2Br)c2c(C)cc(=O)oc2c1 2841099 JNICJWUFKLPHSL-UHFFFAOYSA-N 359.219 4.751 0 50 FJAA biogenic Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(Cl)c1 4093683 IWVNIAZRSWHCPF-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA CCc1cccc(CC)c1NC(=O)c1cc(Br)ccc1F 4542196 IKVGVSGLXPSMKL-UHFFFAOYSA-N 350.231 4.965 0 50 FJAA COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320435 YTLPMKHKAOBWLR-UHFFFAOYSA-N 358.747 4.689 0 50 FJAA CCOc1ccccc1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 55543580 YTRJPUCVGLOXSV-UHFFFAOYSA-N 365.304 4.714 0 50 FJAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([C@@H]2CCCO2)s1 91594751 PVQRPOQVAGXJPO-AWEZNQCLSA-N 369.408 4.891 0 50 FJAA CC(=O)N(C)c1ccc(OCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1 132451437 BFZHOONXCUXXOB-UHFFFAOYSA-N 370.836 4.865 0 50 FJAA O=C([C@@H](c1ccccc1)N1CCC[C@H]1c1ccsc1)N1CCCCC1 240551661 GVGKJNZXCGGJJL-VQTJNVASSA-N 354.519 4.639 0 50 FJAA CCOc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)cc1 245236777 VSTUIVZSQLCSLN-JJTUDDRGSA-N 368.304 4.880 0 50 FJAA CC(C)(CO)[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccs1 253427355 FHVISRRPHHVJMR-MRXNPFEDSA-N 373.440 4.539 0 50 FJAA C[C@@](O)(c1cccc(C(F)(F)F)c1)c1nc(-c2cc3ccccc3o2)no1 253430748 NSIJQUDBCRJPMP-GOSISDBHSA-N 374.318 4.757 0 50 FJAA 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 257349788 RDRFJIOUMNDZPW-KZSQOBLOSA-N 362.554 4.958 0 50 FJAA COc1cc(SC)ccc1C(=O)Nc1ccc(Br)cc1C 987578 IVAQJIUWJBGEOY-UHFFFAOYSA-N 366.280 4.740 0 50 FJAA CC[C@H](OC(=O)c1ccc2c(c1)-c1ccccc1C2=O)C(=O)c1ccccc1 991671 YWHUBYZPKPWQNV-NRFANRHFSA-N 370.404 4.716 0 50 FJAA O=C(Nc1ccc(F)cc1F)c1ccc(COc2ccc3c(c2)CCC3)o1 1083429 DXRQQIXSVFYSSF-UHFFFAOYSA-N 369.367 4.878 0 50 FJAA Nc1c(-c2ccc(Cl)cc2)cnn1-c1nc(-c2ccccc2)cs1 1384100 HEUBDEUBGQXHFI-UHFFFAOYSA-N 352.850 4.898 0 50 FJAA Cc1ccc(C(=O)O)cc1NC(=S)Nc1ccc(Cl)cc1Cl 2858338 HXPZIFSWLLXYFM-UHFFFAOYSA-N 355.246 4.809 0 50 FJAA CCCCc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)c(Cl)cc12 3613544 ZAUVCFCNYZKSBJ-UHFFFAOYSA-N 350.842 4.783 0 50 FJAA O=C(C[C@@H]1CCc2ccccc21)N1CCC(c2nc3ccccc3o2)CC1 4742553 ISCHQJCLGXIKMG-SFHVURJKSA-N 360.457 4.654 0 50 FJAA CCn1nc(-c2ccc(OC)c(OC)c2)c2ccc(OC)c3cccc1c32 4903125 AYWVPDUOCSOADO-UHFFFAOYSA-N 362.429 4.902 0 50 FJAA CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2ncccc2C)cn1 65403296 OOUOVUGZBYKTOY-KRWDZBQOSA-N 357.461 4.746 0 50 FJAA CCOCC1CCN(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 97823314 HEJLUHYPSRGNCT-UHFFFAOYSA-N 356.441 4.773 0 50 FJAA Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H]1CCOc2c(C)cccc21 242302267 YQXVEHOEDVRASR-QGZVFWFLSA-N 363.417 4.604 0 50 FJAA Cc1cccnc1-c1cccc(C(=O)N(C)Cc2csc(C(C)C)n2)c1 299762223 SJKVJHADZCXBQP-UHFFFAOYSA-N 365.502 4.909 0 50 FJAA Clc1cc(Cl)cc(CCN2CCC(OC[C@H]3CCCCO3)CC2)c1 447306272 RZQZJQOCVLGIFX-LJQANCHMSA-N 372.336 4.586 0 50 FJAA Cc1ccc(-c2cnc(CNc3cc(C[S@](C)=O)ccc3Cl)o2)cc1 467264059 HZQBEPXAJOYPRY-VWLOTQADSA-N 374.893 4.794 0 50 FJAA Cc1ccc([C@@H]2CCCC[C@@H]2C(=O)Nc2ccc3nc(O)oc3c2)cc1 2325862122 JYALGFSWCPSJJW-IRXDYDNUSA-N 350.418 4.754 0 50 FJAA Cc1ccc(-n2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1 643989 VPLAJMUZEJMMKG-UHFFFAOYSA-N 366.273 4.750 0 50 FJAA CC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2)c1ccccc1 688867 CKHXZKYUDZLOQX-HNNXBMFYSA-N 370.518 4.638 0 50 FJAA COc1ccccc1NC(=O)C[C@@H](c1ccccc1)c1ccc(C)cc1O 985729 FRSIJISYFVLZLA-IBGZPJMESA-N 361.441 4.870 0 50 FJAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc2ccccc2oc1=O 1054253 FXLCSRZUCGMDGD-UHFFFAOYSA-N 367.710 4.718 0 50 FJAA O=C1c2cccc3cccc(c23)C(=O)N1c1nc(-c2ccccc2)cs1 1202272 INBDMZDTRTVYDS-UHFFFAOYSA-N 356.406 4.764 0 50 FJAA COc1cc(C=O)ccc1OCCCOc1c(C)cc(Cl)cc1Cl 2994772 USELBERQVSDKDX-UHFFFAOYSA-N 369.244 4.971 0 50 FJAA Cc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)c1 3877796 JBYRETOLZQDADP-UHFFFAOYSA-N 361.493 4.859 0 50 FJAA COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1 4413536 MMVNGNGRPJXNCF-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA CC(C)c1ccc(-c2oc3c(Cl)cc(CC(=O)O)cc3c(=O)c2O)cc1 4528980 LXXXMEHTZLWKMI-UHFFFAOYSA-N 372.804 4.570 0 50 FJAA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1cccc(C(F)(F)F)c1 4625232 CZOQJVGPHINRCF-UHFFFAOYSA-N 373.256 4.853 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1Cl 12138253 WCBCMQHULMMWLU-UHFFFAOYSA-N 356.853 4.609 0 50 FJAA O=C(CCC1CCN(Cc2cc3ccccc3s2)CC1)N1CCCC1 12385929 FRBHZZAICUAZJQ-UHFFFAOYSA-N 356.535 4.516 0 50 FJAA Cc1ccccc1/C=C\c1nc2ccccc2c(=O)n1Cc1ccccc1 13116635 HYQVNMDGTSCSFZ-NXVVXOECSA-N 352.437 4.924 0 50 FJAA c1ccc(-c2ccc(-c3n[nH]c4c3CN([C@@H]3CCSC3)CC4)cc2)cc1 19782048 UPFVSNIYMCQBOE-LJQANCHMSA-N 361.514 4.607 0 50 FJAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1 20455614 AFFJIAYDPKNZOM-XMMPIXPASA-N 369.468 4.719 0 50 FJAA CCCNc1cc(C)nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn12 21799218 YONIEJOCAGQHAL-UHFFFAOYSA-N 352.335 4.685 0 50 FJAA c1ccc(CN(Cc2nccs2)Cc2ccccc2Cn2cccn2)cc1 55413991 YGTJKSFCYCLVRM-UHFFFAOYSA-N 374.513 4.590 0 50 FJAA Cc1ccc([C@@H]2CCCCN2C(=O)NCc2nc3ccccc3s2)o1 173255773 IZHQALKCZVKODI-HNNXBMFYSA-N 355.463 4.635 0 50 FJAA COc1ccc(C2(C(=O)N(C)Cc3sccc3C)CCCC2)cc1OC 555204507 QAORJRXJAZLBPB-UHFFFAOYSA-N 373.518 4.544 0 50 FJAA COc1ccc(Oc2ccc(C(=O)N(C)[C@H](C)c3cccnc3)cc2)cc1 1506417736 BIGBWYMPVGDRKB-MRXNPFEDSA-N 362.429 4.716 0 50 FJAA OC[C@H]1CC[C@H](Cn2ccnc2-c2ccccc2OC2CCCC2)CC1 1857728034 KMAIPXWPQBHQBU-IYARVYRRSA-N 354.494 4.670 0 50 FJAA Cc1ccc([C@H](NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)C(F)(F)F)o1 1875341751 GBBWZQRNJVQOAK-BYJRCTRKSA-N 353.340 4.737 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1149722 JOTMHSGLSOOLHF-NTCAYCPXSA-N 351.446 4.813 0 50 FJAA CCOc1cc(O)c(-c2n[nH]c(C)c2Oc2ccc(F)cc2)cc1CC 1177454 NDTXOLKBFSAAJT-UHFFFAOYSA-N 356.397 4.983 0 50 FJAA CC1=CC(C)(C)N(C(=S)NC(=O)c2ccccc2)c2ccc(C)cc21 1200073 DHWBECKJPISBSY-UHFFFAOYSA-N 350.487 4.712 0 50 FJAA O=C1C[C@H](c2cccc(F)c2)Sc2nc(-c3ccc(Cl)cc3)nn21 1447504 BKVKVWIKDUHGPS-CQSZACIVSA-N 359.813 4.615 0 50 FJAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1 4532225 JEJBPHYWZWXQDE-QFIPXVFZSA-N 372.424 4.749 0 50 FJAA COc1ccc(C)cc1NC(=O)C(=O)NC1CCCCCCCCCCC1 4845338 IXTGIHLUJRYOPI-UHFFFAOYSA-N 374.525 4.732 0 50 FJAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc12 7720673 HCRRWSOTYQLFHS-UHFFFAOYSA-N 371.440 4.941 0 50 FJAA CC(=O)O[C@]1(c2cccc3ccccc23)OC(=O)c2ccc3ccccc3c21 45068537 ZQIQHDLHDBJISG-XMMPIXPASA-N 368.388 4.928 0 50 FJAA BrC1(Br)[C@@]23CCCC[C@]12Cc1ccccc1C3 104290656 DFFOCZGXDRQXJY-ZIAGYGMSSA-N 356.101 4.832 0 50 FJAA COc1cccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)cc3c2OCC3)c1 120391391 RRFLKIZJJCFMLK-SFHVURJKSA-N 372.852 4.653 0 50 FJAA Cc1ccc(N[C@H](c2c[nH]c3ccccc23)[P@]2(=O)O[C@@H](C)[C@@H](C)O2)cc1 239412508 SUJTZZWELBPEGF-GOFZPXJOSA-N 370.389 5.604 0 50 FJAA CCc1onc(C)c1NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 287060809 KQORYQFKIOHMJH-UHFFFAOYSA-N 370.428 4.577 0 50 FJAA CC1(C)C[C@@H](c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c2ccccc2O1 333369324 FINXLSLQWDTUQT-BFYDXBDKSA-N 356.466 4.681 0 50 FJAA COC[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C1CC1 441575448 RVVBDKWRXLNPSZ-GOSISDBHSA-N 363.379 4.527 0 50 FJAA CCc1ccc(CN(C)C(=O)c2ccc(-c3cc(C)cc(C)n3)cc2)nc1 534663304 HQQLLZUMYYAHJH-UHFFFAOYSA-N 359.473 4.595 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3F)C[C@@H]21 1704298701 CFVKTJCQQRRUCE-NIJIEXERSA-N 367.464 4.506 0 50 FJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 1704358574 OALHVVHKEATJJT-WBVHZDCISA-N 357.281 4.806 0 50 FJAA C[C@H](c1ccco1)N(C(=O)c1cccc(Br)c1)c1ccccn1 623643 KHQDTKACXNSUDM-CYBMUJFWSA-N 371.234 4.845 0 50 FJAA COc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1 672986 HFFHCQDDTCRSEL-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)CCc2ccncc2)c1 762956 VMTNARLGUNSFGM-UHFFFAOYSA-N 359.535 4.693 0 50 FJAA CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 853328 KEQIERQAQHNNBZ-UHFFFAOYSA-N 374.491 4.676 0 50 FJAA CCCC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 867335 QPBRJLNYRUYCSF-OXJNMPFZSA-N 351.446 4.818 0 50 FJAA COc1ccccc1CNC(=O)c1cc(-c2cccs2)nc2ccccc12 999829 WGBYFQIPDWHRFI-UHFFFAOYSA-N 374.465 4.902 0 50 FJAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1Cl 1181552 MRJJCHCBPUNXQN-UHFFFAOYSA-N 370.861 4.629 0 50 FJAA Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)c(C)o1 2769194 SOYTUEPBHDREKW-UHFFFAOYSA-N 374.849 4.630 0 50 FJAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1 2852825 WOXMIKBZEJLSBX-UHFFFAOYSA-N 360.482 4.682 0 50 FJAA COc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1OC 4804068 AORGGLSNXXDZKJ-UHFFFAOYSA-N 374.849 4.733 0 50 FJAA Cc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(C)c1O 12744669 LMOBDLAWICDMEB-AWEZNQCLSA-N 371.431 4.632 0 50 FJAA COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1ccc2c(c1)OCO2 13858032 YFFANTJXDLXGOI-JKXTWKSPSA-N 368.429 4.578 0 50 FJAA O=C(Cc1ccc(F)cc1Cl)NCc1cccnc1Oc1ccccc1 67867829 FKSOKVKVPSGYKX-UHFFFAOYSA-N 370.811 4.525 0 50 FJAA CCN(C(=O)Nc1ccccc1-c1cccc(OC)c1)[C@@H]1CCCC[C@H]1O 97654007 SPWASWSTAMEHNV-NHCUHLMSSA-N 368.477 4.520 0 50 FJAA Cc1cccnc1NC(=O)C1CCN([C@@H](C)c2cccc3ccccc23)CC1 139936584 MBXMZASYHNDVJU-SFHVURJKSA-N 373.500 4.955 0 50 FJAA Cc1cccnc1NC(=O)C1CCN([C@H](C)c2cccc3ccccc23)CC1 139936727 MBXMZASYHNDVJU-GOSISDBHSA-N 373.500 4.955 0 50 FJAA COCC1(NC(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)CCCC1 244764142 PCACRJDULMHROF-UHFFFAOYSA-N 370.449 4.568 0 50 FJAA CN(CC[C@@H]1CCCCO1)C(=O)Nc1cccc(-c2ccc(F)cc2)c1 299779263 NDOTUDQUGNQJAX-FQEVSTJZSA-N 356.441 4.916 0 50 FJAA Cc1cc(C)n(-c2ccc(-c3nnc(CCc4ccccc4)s3)cc2)n1 334163354 QAWPJBPFCXYFFG-UHFFFAOYSA-N 360.486 4.793 0 50 FJAA CCN(Cc1cnn(CC)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 952873433 WXQCQEWMURSFGP-UHFFFAOYSA-N 360.461 4.528 0 50 FJAA c1ccc(-c2cc3c(NC[C@H]4COc5ccccc54)ncnc3s2)cc1 2325853827 CVYHKVCWQCGIRM-HNNXBMFYSA-N 359.454 4.946 0 50 FJAA O=C(Nc1ccc(Cl)c(Cl)c1)OCn1c(=O)sc2ccccc21 625633 YXCUEHLONRACGY-UHFFFAOYSA-N 369.229 4.576 0 50 FJAA O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCc2ccccc2C1 815140 DCWHVGZBLCDALW-UHFFFAOYSA-N 373.239 4.847 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccs2)cs1 1113491 GQEAYYMVEMMALD-UHFFFAOYSA-N 364.879 4.851 0 50 FJAA aggregator CC1(C)Cc2c(cnn2-c2ccc(Cl)cc2)-c2nc3ccccc3nc21 4191180 HOPDIFUWCSHOQI-UHFFFAOYSA-N 360.848 4.970 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Cl 5073302 XLTIXAMWNRAWGJ-UHFFFAOYSA-N 366.848 4.977 0 50 FJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@H]1c1nccn1C 11820417 GFVUZHLDNYENTM-SFHVURJKSA-N 370.884 4.764 0 50 FJAA COc1ccccc1CN1CCC[C@H](C(=O)c2ccccc2SC)C1 11872903 RSAONVIUHFBLSA-KRWDZBQOSA-N 355.503 4.512 0 50 FJAA C=Cc1ccc(C(=O)N2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 20538042 DLMIRAHDWRRITD-XMMPIXPASA-N 363.501 4.567 0 50 FJAA CC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCCNC1 40449816 UWSUXCWPSHDJRF-OAQYLSRUSA-N 366.505 4.843 0 50 FJAA Cc1nc(Cn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)cs1 65455016 QXQSXCAEGYPRIS-UHFFFAOYSA-N 363.490 4.808 0 50 FJAA CC[C@H](Sc1nnc(-c2ccccc2OC)n1C)c1ccc(F)cc1 133253076 ZMMZDYIBZCNVNO-KRWDZBQOSA-N 357.454 4.873 0 50 FJAA COc1csc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 193159820 XJYXOAUWQSZBCC-KRWDZBQOSA-N 367.474 4.514 0 50 FJAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 222255307 VRVPCTJFOMDVPF-LBTNJELSSA-N 365.420 4.680 0 50 FJAA CSc1nc2ncnc(N[C@H](C)c3cccc(N4CCCC4)c3)c2s1 301554665 HWROYKINIHGPLN-GFCCVEGCSA-N 371.535 4.582 0 50 FJAA CNC(=O)c1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)ccc1Cl 426667609 QOZDHMWZTNMBNC-OAHLLOKOSA-N 356.897 4.914 0 50 FJAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 676861 YEHSAGBONZQHDI-CYBMUJFWSA-N 362.267 4.980 0 50 FJAA CCCc1cc2c(cc1NC(=O)c1cc(F)c(F)cc1Cl)OCO2 717734 LAKSZXXGZVWONI-UHFFFAOYSA-N 353.752 4.552 0 50 FJAA Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C 1077857 NKJOKLCFHKZFAS-UHFFFAOYSA-N 358.290 4.576 0 50 FJAA O=C(COc1ccc2ccccc2c1)Nc1cccc(Br)c1 1218721 SNJACUVDMUUVHY-UHFFFAOYSA-N 356.219 4.620 0 50 FJAA CCCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@H](C)C2 2115121 ZCCOUEOPEPMHCK-XOVSCCBYSA-N 373.474 4.685 0 50 FJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1cccs1 2757031 WMALVEWNWONBDN-UHFFFAOYSA-N 367.257 4.948 0 50 FJAA C(=C/c1ccccc1)\CSc1nnc(-c2cccnc2)n1Cc1ccco1 4313055 CAHLSKFPJSHJTO-RMKNXTFCSA-N 374.469 4.787 0 50 FJAA CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 4644266 KYJHAOUSOTXEQR-UHFFFAOYSA-N 373.412 4.931 0 50 FJAA COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1cccnc1 4999711 ZBULQXWROPMJGY-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA CCn1c(S)nnc1-c1cc(-c2ccc(C)s2)nc2ccccc12 5432295 SOBXREWTSRGFRG-UHFFFAOYSA-N 352.488 4.839 0 50 FJAA O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 12204602 UWDDWBDYPHTKBD-IBGZPJMESA-N 372.871 4.720 0 50 FJAA CCCOc1ccccc1[C@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21 17075743 WZTJBURISXSLRT-MRXNPFEDSA-N 369.461 4.747 0 50 FJAA CCC(=O)N(c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 32164821 CUGMWAHBYRKBKL-UHFFFAOYSA-N 370.924 4.790 0 50 FJAA in-vitro FC(F)(F)c1ccc(Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)cn1 65410747 VWCBJDMPEGHYOE-MRXNPFEDSA-N 373.378 4.516 0 50 FJAA Cc1cc(C(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)no1 71776872 ZPPITSVYUNPOKR-UHFFFAOYSA-N 363.392 4.509 0 50 FJAA CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@H](c1ccccn1)C1CC1 215396067 TVNVPZHADSGFTP-IBGZPJMESA-N 351.837 4.507 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)cc1 244773907 PIPIQLVLERETLV-FQEVSTJZSA-N 362.473 4.862 0 50 FJAA C[C@H](c1ccc(C(=O)Nc2ccc3scnc3c2)o1)N1CCCCC1 952990511 UTELEKTVAAFEGW-CYBMUJFWSA-N 355.463 4.689 0 50 FJAA O=c1nc(-c2ccc(C(F)(F)F)s2)[nH]c2cc(C(F)(F)F)ccc12 1875337789 FVTFGKRHPRSRJG-UHFFFAOYSA-N 364.270 4.689 0 50 FJAA O=C(N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1)c1cnc(O)c2ccccc12 1875341029 CXUFEVPQYGGZNT-DOTOQJQBSA-N 364.420 4.536 0 50 FJAA O=C(Nc1ccccc1C(=O)OCc1c(F)cccc1Cl)c1ccco1 1115835 VJDGAXHREHTKEK-UHFFFAOYSA-N 373.767 4.681 0 50 FJAA CCC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 1136798 CEIUHFGPYVDSBV-UHFFFAOYSA-N 352.217 4.699 0 50 FJAA O=C1CCC(/C=C/c2ccccc2)=NN1Cc1cccc(C(F)(F)F)c1 1382993 CVZRWVUIEJFFRI-MDZDMXLPSA-N 358.363 4.897 0 50 FJAA O=C(Nc1nnc(CC2CCCC2)s1)c1cccc(Cl)c1Cl 2755000 CWLILLDNPCEXTI-UHFFFAOYSA-N 356.278 4.830 0 50 FJAA CCOc1ccc(N2C(=O)c3cccnc3[C@@H]2Nc2ccc(C)cc2)cc1 4034861 KPZXSMXLBZMPHW-OAQYLSRUSA-N 359.429 4.560 0 50 FJAA COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 4814504 XKGNWHIWVUVAFU-UHFFFAOYSA-N 363.413 4.632 0 50 FJAA CC(C)c1ccc(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)cc1 17075105 XOXYTFZOBZETHJ-CYBMUJFWSA-N 365.458 4.568 0 50 FJAA C[C@]1(c2ccncc2)Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 25572952 JKTAGXCCYMLMKN-IFMALSPDSA-N 359.404 4.637 0 50 FJAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 33087346 BDKPLJFJIDWCKO-AWEZNQCLSA-N 351.809 4.707 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 44933461 LSWIXJYMKAWWST-QGZVFWFLSA-N 370.924 4.738 0 50 FJAA COc1ccc2c(c1)O[C@H](C)CN(Cc1cnc(-c3ccccc3)s1)C2 64120767 LRTPJLLHJIFLDF-OAHLLOKOSA-N 366.486 4.602 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c(Cl)c1 71376104 PXUNPHVJHSQPFG-UHFFFAOYSA-N 356.853 4.527 0 50 FJAA Cc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c2ccc(F)cc2n1 82098091 CNIWEIXTIGTEBS-FQEVSTJZSA-N 352.384 4.799 0 50 FJAA COc1ccccc1[C@H](c1ccccn1)[C@](C)(O)c1cccc(Cl)c1 96027059 REIVRNUGXIAAIZ-NHCUHLMSSA-N 353.849 4.783 0 50 FJAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc2cccc(Cl)c2s1 170613347 ZBHRYYRXRLYTQJ-ZBFHGGJFSA-N 362.926 4.549 0 50 FJAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([C@H]2CCCO2)s1 215508578 RGJRBYAHLRTHGI-CQSZACIVSA-N 369.408 4.891 0 50 FJAA Fc1ccccc1[C@H]1C[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299741589 GPWBIMZJXKUWRB-DODZYUBVSA-N 350.393 4.725 0 50 FJAA COC(=O)c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)c1 328579163 XINUSTVLUHHMEY-UHFFFAOYSA-N 368.230 4.965 0 50 FJAA O=C1C[C@@H](c2ccco2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 409415302 AAARYKKYSSLDBP-MRXNPFEDSA-N 360.388 4.896 0 50 FJAA CCN(CC1CCOCC1)C(=O)c1ccc(-c2cccc(C)c2C)cc1 426674280 RACVIZLZQYKSNJ-UHFFFAOYSA-N 351.490 4.859 0 50 FJAA CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@@H]2CCCCO2)o1 823709337 ZGZGUJCSVJFLFK-FQEVSTJZSA-N 351.450 4.543 0 50 FJAA COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC[C@H](C)C2 622517 QJLYBHMQRHDGBP-NSHDSACASA-N 369.442 4.658 0 50 FJAA CC1(C)CC(NC(=O)CC(c2ccccc2)c2ccccc2)CC(C)(C)N1 800341 IESMVPPWYYJELN-UHFFFAOYSA-N 364.533 4.634 0 50 FJAA COc1ccc2c(Cl)c(C(=O)Nc3nccs3)sc2c1Cl 1053572 RSDPTCNWZFNWIF-UHFFFAOYSA-N 359.259 4.926 0 50 FJAA Cc1cc(Cl)ccc1NC(=O)c1ccc(I)cc1 1187090 PHNFWOQSXDTQFF-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA COc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)c(C)c3)c2)cc1C 1207371 PMFJNCMGQCLARA-UHFFFAOYSA-N 374.436 4.783 0 50 FJAA biogenic C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 1241718 DIPVGTMKHUDFPF-NSHDSACASA-N 374.853 4.976 0 50 FJAA O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccc(Cl)cc1 2800521 HYLKCEKKSUGIFD-UHFFFAOYSA-N 354.765 4.803 0 50 FJAA Cc1ccc(Oc2ncccc2CNCc2c(F)cccc2Cl)cn1 12320670 NAFRWAMQYFWNAD-UHFFFAOYSA-N 357.816 4.660 0 50 FJAA CN(Cc1ccc(F)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12751897 IPDZTMBJUUXLLP-UHFFFAOYSA-N 365.330 4.527 0 50 FJAA CC(C)c1nc2cc(C(=O)N(C)Cc3cc(-c4ccccc4)[nH]n3)ccc2o1 15073844 NVXCWBQXGPGTKV-UHFFFAOYSA-N 374.444 4.614 0 50 FJAA CC(C)Oc1c(Cl)cc(CN2CCC[C@H](N(C)C)CC2)cc1Cl 72155924 YPETYECMKOFYJK-HNNXBMFYSA-N 359.341 4.697 0 50 FJAA Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C 152074421 FFMIKZDQZANUMJ-STQMWFEESA-N 372.900 4.721 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@H]32)c1 245297625 VHTCQRPKUANPBY-JFGMFMPZSA-N 355.478 4.971 0 50 FJAA Cn1cc(-c2csc(CNc3ccccc3N3CCCCCC3)n2)cn1 252523089 BWHJZENVOINXDB-UHFFFAOYSA-N 367.522 4.536 0 50 FJAA O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cc(C2CC2)no1 333128161 DGGMAHJCCOOANE-UHFFFAOYSA-N 350.422 4.659 0 50 FJAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)[C@H](c1ccccc1)C(C)C 820709690 CFCUHJHRFHXTPD-FQEVSTJZSA-N 352.478 4.512 0 50 FJAA CC[C@@H](Nc1cc(C)c2c(OC)ccc(OC)c2n1)c1ccc(C)cn1 1704301115 KRSHRACGCHULTL-OAHLLOKOSA-N 351.450 4.827 0 50 FJAA COc1cccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)c1 1116715 IACZLTKFFUVRIV-UHFFFAOYSA-N 361.397 4.553 0 50 FJAA CC(=O)c1cccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 1185284 XKMBYHWRYLRLLD-UHFFFAOYSA-N 352.217 4.522 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1c[nH]c2ccccc12 3623530 YZZJVVBSZDRXGR-UHFFFAOYSA-N 366.726 4.662 0 50 FJAA Cc1cc(Cl)ccc1NC(=O)CCc1ccccc1Br 4542943 XWPKRVBSWYEXFL-UHFFFAOYSA-N 352.659 4.982 0 50 FJAA Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1 5578514 NJVTVEKACHIZIK-UHFFFAOYSA-N 350.292 4.927 0 50 FJAA FC(F)(F)c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1 55543202 MNRHFSMCMCONPU-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA Cc1ccsc1-c1nc(CN2CCC(CCn3cccn3)CC2)c(C)o1 67741277 UEGBPDBILDVFFP-UHFFFAOYSA-N 370.522 4.519 0 50 FJAA CC(=O)c1cc(CC(=O)N2CCCC[C@@H]2CCc2cccs2)cs1 97637900 DMRVLOMCISHLJG-MRXNPFEDSA-N 361.532 4.569 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C[C@@H]3CC=CCC3)C2)cc1F 216102289 UVADPZQJHLGRKV-NVXWUHKLSA-N 357.448 4.891 0 50 FJAA CCSc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC1 299759723 QXCGOPUBVAXSTM-UHFFFAOYSA-N 370.474 4.724 0 50 FJAA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(-c2ccccc2)nc2ccccc12 765267985 XGYOEBYMZHSLEW-WZONZLPQSA-N 372.468 4.589 0 50 FJAA O=C(N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2c(O)n1 1875260417 BOLVFRXSXSGQNA-FUHWJXTLSA-N 366.848 4.660 0 50 FJAA CC1(C)Cc2nc(O)c(-c3noc(C[C@]45CCC[C@@H]4C5)n3)cc2C(C)(C)C1 1875356146 HKILOVXKQUBHGQ-MCMMXHMISA-N 367.493 4.820 0 50 FJAA O=C(NCC[C@@H]1CC=CCC1)c1cc2c(O)nc3ccccc3c2s1 1875359298 ADLBHKDEMKLSAG-CYBMUJFWSA-N 352.459 4.631 0 50 FJAA COc1cc(OC)c(NC(=O)Oc2ccc(SC)cc2)cc1Cl 641588 PHUIHHKFCHRSGI-UHFFFAOYSA-N 353.827 4.690 0 50 FJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nccs1 663237 BOWULQLQQXEKJY-UHFFFAOYSA-N 354.218 4.666 0 50 FJAA Cc1sc(NC(=O)c2sc3ccccc3c2Cl)c(C(N)=O)c1C 778819 SPRRWQAOTHPVSO-UHFFFAOYSA-N 364.879 4.584 0 50 FJAA Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1219080 PGBOXHNEDOEYQY-UHFFFAOYSA-N 357.413 4.556 0 50 FJAA CCOc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 5049031 YIGAZRWJTKFBSB-UHFFFAOYSA-N 356.809 4.954 0 50 FJAA Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)o1 11842276 GNNMLMBTXJVXTH-CQSZACIVSA-N 368.433 4.516 0 50 FJAA CC(=O)Nc1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 13496745 VQAKTWCMGPFVQN-UHFFFAOYSA-N 354.262 4.761 0 50 FJAA CCc1ccc(CN(C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)cc1 15073644 YPRVBUODINPYPJ-UHFFFAOYSA-N 368.452 4.992 0 50 FJAA COc1ccc(CCN(C)Cc2c(Cl)cccc2Cl)cc1OC 19633706 LHHBQTGBVZVFPE-UHFFFAOYSA-N 354.277 4.685 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 252428291 WVWXYSKLKDXZJF-JJTUDDRGSA-N 366.288 4.684 0 50 FJAA CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1ccccc1CN1CCCC1 823712706 ARNQDPZHUQDYEM-JOCHJYFZSA-N 368.521 4.749 0 50 FJAA CN(Cc1ccc(-c2ccccc2)cc1)c1ncccc1C(=O)N1CCCC1 1529173304 UXXOVMKOZWLKLH-UHFFFAOYSA-N 371.484 4.621 0 50 FJAA O=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866133 BBKRVJBADWULMG-HNBVOPMISA-N 354.881 4.516 0 50 FJAA CC(C)(C)c1cc(NC(=O)c2ccccc2Cl)n(Cc2cccnc2)n1 2332237373 TUTLOGVFSDWBMR-UHFFFAOYSA-N 368.868 4.530 0 50 FJAA CCOC(=O)c1c(-c2ccccc2)oc2cc(Br)c(O)cc12 623746 LZAQEGWNAMGRAA-UHFFFAOYSA-N 361.191 4.745 0 50 FJAA biogenic Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 689565 DTGKEIXVLIUTNO-UHFFFAOYSA-N 351.475 4.708 0 50 FJAA O=C(Nc1nnc(CSCc2ccccc2F)s1)C1CCCCC1 730771 XMPPBIXEZQVXGO-UHFFFAOYSA-N 365.499 4.629 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CCCCCC2)CC1 1199123 IMMXGOSXDLNENM-UHFFFAOYSA-N 362.517 4.834 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1ccc2ccccc2c1)c1ccco1 1210895 RHIJTMQGKCWPJJ-UHFFFAOYSA-N 356.381 4.937 0 50 FJAA COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2621597 GBKFHHPPIPHVMP-NSHDSACASA-N 354.233 4.716 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 2852550 GOVJVOIWIVTXDI-UHFFFAOYSA-N 353.205 4.814 0 50 FJAA CCc1cc2c3c(c(=O)oc2cc1OCc1ccc(F)cc1)CCCC3 2976469 MCVPJAOAFUGRCU-UHFFFAOYSA-N 352.405 4.952 0 50 FJAA CCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCc1ccccc1 3017607 GNHXEXYSCIMOBH-UHFFFAOYSA-N 373.880 4.944 0 50 FJAA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCCCC2)cc1 4725258 VOBQLHPGXJPHGM-PFONDFGASA-N 371.484 4.873 0 50 FJAA Cc1ccccc1-c1nnc(-c2cccc(NC(=O)Cc3ccccc3)c2)o1 4869217 LRXGFKYOYPQPIS-UHFFFAOYSA-N 369.424 4.893 0 50 FJAA CCO[C@@H](c1ccccc1)[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 5334909 LTVYVPNMZWITOX-DNVCBOLYSA-N 357.406 4.556 0 50 FJAA O=C(NC[C@H](c1ccco1)N1CCCC1)c1sc2ccccc2c1Cl 5483349 AUGQGIIBFUMGKU-CQSZACIVSA-N 374.893 4.715 0 50 FJAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(CC1CC1)C[C@H]1CCCO1 12111821 NIAHWNOEAGWTLP-GOSISDBHSA-N 360.885 4.694 0 50 FJAA COC(=O)c1c(NC(=S)Nc2cccc(Cl)c2)sc(C)c1C 16274255 WKNQDRUCNAFJDH-UHFFFAOYSA-N 354.884 4.614 0 50 FJAA O=C(O)Cc1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 38529082 LFLJMIMQXJBATH-UHFFFAOYSA-N 373.408 4.675 0 50 FJAA in-vitro CN(Cc1cc(-c2ccccc2)no1)Cc1ccc([C@@H]2CCCO2)s1 72133633 YJGIFVUWERZGNX-IBGZPJMESA-N 354.475 4.887 0 50 FJAA O=C(C[C@H]1CCc2ccccc21)N(Cc1cccnc1)Cc1ccsc1 91745260 VMAYGVYCXHCHMX-HXUWFJFHSA-N 362.498 4.792 0 50 FJAA CN1C[C@H](c2ccccc2)CC12CCN(c1ccc3ccccc3n1)CC2 95508928 STBNKUSOBKUCAI-OAQYLSRUSA-N 357.501 4.693 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc2ccc(F)cc2nc1C 129716731 FXFXFOGNGGYANZ-UHFFFAOYSA-N 351.425 4.617 0 50 FJAA O=C(c1cccnc1Nc1cccc(F)c1)N1CC[C@H]1c1ccccc1F 170652117 LQOJEZYTQRKFRZ-IBGZPJMESA-N 365.383 4.691 0 50 FJAA O=C(O)c1cccc2oc(/C=C/c3ccc(OCc4cccnc4)cc3)nc12 328593169 OAAKDNDGQOHLNT-DHZHZOJOSA-N 372.380 4.670 0 50 FJAA Cc1nc([C@@H](C)N(C)C(=O)NCCCn2ccc3ccccc32)c(C)s1 426658372 MFZWGMPWFBMCIW-CQSZACIVSA-N 370.522 4.507 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2[nH]c3c(F)cccc3c2C)C[C@H](C(C)C)O1 2100554692 ADFQMCSGMRGFDR-CRAIPNDOSA-N 360.473 4.671 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NC[C@H]1CCN1C1CCCCC1 2325863095 VQSUDFXOOXOEFM-GOSISDBHSA-N 368.521 4.912 0 50 FJAA O=c1n(Cc2ccc(C3CCCC3)cc2)ccn1-c1ccc(Cl)cc1 2325864605 TUXDSESRXWZWDW-UHFFFAOYSA-N 352.865 4.998 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1Cl 640862 YTWGUBREZYSPJU-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1nnc(Nc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc12 860961 TWCLTRZYFVPTER-UHFFFAOYSA-N 354.413 4.934 0 50 FJAA CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1 1124456 YVUWUCAHAQZZQZ-OAQYLSRUSA-N 351.421 4.989 0 50 FJAA CC[C@H](COC(=O)Nc1cccc2ccccc12)NC(=O)OCC(C)C 2812208 UAAOEIDPJHNFTA-MRXNPFEDSA-N 358.438 4.549 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1 2983192 DUNMZNYAIWURRP-UHFFFAOYSA-N 356.224 4.608 0 50 FJAA O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1Cl 3997383 DPNSRHNESSLCEZ-UHFFFAOYSA-N 367.257 4.585 0 50 FJAA CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 4911105 SYRFHSIPPONBQF-ZDUSSCGKSA-N 359.853 4.846 0 50 FJAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@H](CO2)[C@@H]1CCCCCCC(=O)O 5550770 VGRVXLWYKKBTNM-XLGWHITOSA-N 352.515 4.560 0 50 FJAA in-vitro CCCC[C@H](CC)C(=O)NCC(C)(C)CNC(=O)[C@H](CC)CCCC 16226029 KEPBYSCSYYGEIU-HDICACEKSA-N 354.579 4.678 0 50 FJAA O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nn1-c1ccc(F)cc1F 25781600 MSSHYVVNFFFVOA-UHFFFAOYSA-N 369.154 4.823 0 50 FJAA C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 44934151 FULQOPCNDBFNLU-HNNXBMFYSA-N 374.887 4.569 0 50 FJAA Cc1ccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1 63882645 IBEUBSQELXODQM-UHFFFAOYSA-N 362.477 4.604 0 50 FJAA O=C(c1cc(-c2ccccc2)no1)N1CCCC[C@@H]1CCc1ccccc1 77458933 WVTUMVDHHMMHEN-HXUWFJFHSA-N 360.457 4.969 0 50 FJAA Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1nc(N)ncc1Cl 202757490 WQBATJWUNOYNPH-UHFFFAOYSA-N 370.787 4.830 0 50 FJAA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(F)cc3)C2)s1 239869344 CYMMXAINFMCDQA-MRXNPFEDSA-N 354.406 4.780 0 50 FJAA Cc1cncc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)c1 1875303695 JLJQJWJVRDWXQE-UHFFFAOYSA-N 351.406 4.882 0 50 FJAA COc1cc(Oc2ccccc2)ccc1NC(=O)/C=C/c1cncs1 2325748908 SWUBZXYRWHGCQD-CSKARUKUSA-N 352.415 4.596 0 50 FJAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc2ccccc2c1 849424 GHDKHMMAIDTAIL-UHFFFAOYSA-N 366.848 4.582 0 50 FJAA O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 1183531 FAMCGUNZQZISLQ-UHFFFAOYSA-N 373.692 4.703 0 50 FJAA COc1cccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c1 3902806 DMTXOVYLKNUPGA-QFIPXVFZSA-N 356.425 4.779 0 50 FJAA aggregator CCN(C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 5073578 QPLCNJXQNMFSGK-BSCKTTFPSA-N 363.586 4.625 0 50 FJAA COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccccc1 6703988 TXMUROKXLHKRLZ-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 9259459 KWLJTNFOXMWARX-UHFFFAOYSA-N 354.450 4.711 0 50 FJAA Cc1ccc2c(C)c(C(=O)N[C@H](c3cccnc3)C(F)(F)F)oc2c1C 20652677 IVEUNYXHLPUMEY-QGZVFWFLSA-N 362.351 4.786 0 50 FJAA Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)s1 20996380 GXHUYHUQMWFDKI-QGZVFWFLSA-N 356.535 4.844 0 50 FJAA Cc1c[nH]c(C(=O)N2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)c1 71575407 DUCHDAHNBUIZGI-INIZCTEOSA-N 364.411 4.827 0 50 FJAA CC[C@H]1COCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72420337 PSASHHZAWGLIAB-INIZCTEOSA-N 368.864 4.739 0 50 FJAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc2ccc(Cl)cc2s1 170613386 NNJADAKPFVSVOC-HOCLYGCPSA-N 362.926 4.549 0 50 FJAA CCc1cccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 241161311 JZVCCBCXJOFARS-XMSQKQJNSA-N 365.521 4.623 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 245255059 FGRICAIZIHIJBY-GKAQVKTCSA-N 355.384 4.960 0 50 FJAA Oc1cccc(Cc2nc(-c3ccccc3OCc3ccccc3)no2)c1 486066853 PXBAQRMTIWVQRG-UHFFFAOYSA-N 358.397 4.612 0 50 FJAA CC(C)Cc1ccc([C@H](C)C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 1231785 VMFHPBILVMKRFS-INIZCTEOSA-N 363.457 4.896 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1C 2982599 PTWIBHZGYDQUMV-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA CCOc1ccc(OCCCOc2cccc(Br)c2)cc1 2983875 SCSVMXQKULDIOW-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 3359830 PFFTUMMJLARFIP-UHFFFAOYSA-N 374.799 4.915 0 50 FJAA COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccncc1 4749809 MXSRAJWJDFXYEA-UHFFFAOYSA-N 372.833 4.502 0 50 FJAA Cc1ccccc1OCCn1c([C@H](O)c2ccccc2)nc2ccccc21 12463135 NFSWTILGCUYVDQ-JOCHJYFZSA-N 358.441 4.505 0 50 FJAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)C2(C)CCCCC2)C1 12592557 HKXGXFJKFNMZCF-OAQYLSRUSA-N 370.581 4.678 0 50 FJAA COc1cccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 13326045 BZFOSZUAJMVNLI-UHFFFAOYSA-N 360.772 4.703 0 50 FJAA Oc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 20605366 BHOINRYFWXPZKF-UHFFFAOYSA-N 373.309 4.951 0 50 FJAA CCOc1ccc(Cc2cc(I)ccc2Cl)cc1 59085160 CZFRIPGHKLGMEU-UHFFFAOYSA-N 372.633 4.934 0 50 FJAA in-vitro Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)Cc3cccnc3)cc12 71777104 NFRRLRLMGXAQOE-UHFFFAOYSA-N 373.431 4.536 0 50 FJAA Cc1cccc([C@@H](NC(=O)CSCc2ccccc2Cl)C2CC2)n1 299756731 ILABDRPBAVNBGV-IBGZPJMESA-N 360.910 4.544 0 50 FJAA O=S(=O)(Nc1ccc(CCC(F)(F)F)cc1)c1ccc(Cl)s1 440291830 FYHOMGSMEXKXKU-UHFFFAOYSA-N 369.817 4.697 0 50 FJAA CCCC[C@@H](NC(=O)N(C)Cc1[nH]c2ccccc2c1C)c1cccnc1 534658102 MUUKUGMEPPKJFV-LJQANCHMSA-N 364.493 4.944 0 50 FJAA CCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCC(C)CC1)CC3=O 888088357 QNODUHOSZJJEEL-UHFFFAOYSA-N 354.446 4.968 0 50 FJAA Nc1ccnc(C(=O)Nc2ccc(OCc3ccccc3)c3ccccc23)c1 1875332208 LSNYCZDUGAWQDZ-UHFFFAOYSA-N 369.424 4.648 0 50 FJAA CCc1cccc(C)c1NC(=O)CCC(=O)Nc1c(C)cccc1CC 656084 HKMJONXEPFZANK-UHFFFAOYSA-N 352.478 4.786 0 50 FJAA CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1-c1ccccc1 663881 ZUUYVUUQFGRBGH-UHFFFAOYSA-N 357.413 4.548 0 50 FJAA O=C(Oc1cccc2cccnc12)c1ccc2c(c1)-c1ccccc1C2=O 711823 QAUZTEZOHHZQRG-UHFFFAOYSA-N 351.361 4.665 0 50 FJAA O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1F 778120 GFOCSIQKPDQCDA-UHFFFAOYSA-N 352.384 4.918 0 50 FJAA Cc1nn(-c2ccc(OC(F)(F)Cl)cc2)c2c1C(=O)CC(C)(C)C2 970233 UVGGKMOITILRQQ-UHFFFAOYSA-N 354.784 4.504 0 50 FJAA C[C@H](NC(=O)CSCc1ccccc1Br)c1ccccc1 1173785 JWVZVVCQKYBSJJ-ZDUSSCGKSA-N 364.308 4.560 0 50 FJAA COc1cccc(OCc2ccc(C(=O)Nc3ccccc3F)cc2)c1 2761421 XCAPJUMUUYGARN-UHFFFAOYSA-N 351.377 4.666 0 50 FJAA Cc1ccccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 2979481 ORPSALUNDJNCPB-UHFFFAOYSA-N 372.799 4.794 0 50 FJAA COc1cc(C)ccc1OCCOc1c(C)cc(Br)cc1C 2983982 RTACRYWVBXJOFU-UHFFFAOYSA-N 365.267 4.841 0 50 FJAA C[C@H]1CCC[C@@H](C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1 13733890 BPZBEIHSHWNWTE-BGYRXZFFSA-N 364.533 4.588 0 50 FJAA in-vivo COc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 15071549 GHWLGVPEFSGFPE-GOSISDBHSA-N 365.452 4.604 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1 15074927 KYTIWTQJRCSSTB-HXUWFJFHSA-N 367.514 4.706 0 50 FJAA CCc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(Cl)cc1 20166538 POSVHCKGVFJZCN-AWEZNQCLSA-N 357.885 4.551 0 50 FJAA CCc1cc(C(F)(F)F)c2c(C3CC3)nn(-c3ccc(OC)cc3)c2n1 20615464 ZKVXZCDUZNUUEP-UHFFFAOYSA-N 361.367 4.888 0 50 FJAA Cn1cnc2cc(NC(=O)CCCOc3cccc4ccccc34)ccc21 170645209 CLPGYBCUYLZPAD-UHFFFAOYSA-N 359.429 4.524 0 50 FJAA Cc1ccc2c(C(=O)Nc3ccc(N4C(=O)CC[C@H]4C)cc3)cc(C)nc2c1 952965646 SLOXMJVHUXYYHD-MRXNPFEDSA-N 373.456 4.619 0 50 FJAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 2499342 YUUVQAZFNOKKJS-HNNXBMFYSA-N 353.462 4.710 0 50 FJAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(Br)c1 2759900 BLSJNXXLEJXQJI-LLVKDONJSA-N 368.658 4.817 0 50 FJAA Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2812962 ZAVUJQDXDARPCZ-UHFFFAOYSA-N 374.362 4.642 0 50 FJAA C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccncc1 2868141 VMGCWHAPVRXEDB-INIZCTEOSA-N 353.425 4.788 0 50 FJAA Fc1ccccc1OCCSc1nc2ccc(Br)cc2[nH]1 4418670 DMYPGWGCMQDSIO-UHFFFAOYSA-N 367.243 4.636 0 50 FJAA COc1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 4542058 KQNSRXZEKSJNOE-UHFFFAOYSA-N 357.759 4.939 0 50 FJAA COc1ccc(NC(=O)c2cc(Br)ccc2F)cc1Cl 4542199 JYVCHFLBSGJISL-UHFFFAOYSA-N 358.594 4.503 0 50 FJAA COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCCC2 4646561 PTLIDNXJUAMJDL-UHFFFAOYSA-N 361.438 4.585 0 50 FJAA O=C(N[C@H]1CCCN(C2CCCCCC2)C1)c1ccccc1C(F)(F)F 11754033 CHXZVUCUDUYUHL-HNNXBMFYSA-N 368.443 4.622 0 50 FJAA CC(=O)c1ccccc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11874254 SSRMLGYDQZKJGQ-FQEVSTJZSA-N 364.489 4.729 0 50 FJAA OCc1ccc(-c2c(-c3ccccc3)ncn2[C@H]2COC3(CCCC3)C2)o1 65373237 WICZHFBXTKTAMZ-QGZVFWFLSA-N 364.445 4.577 0 50 FJAA Clc1ccc([C@H]2CN(c3ncnc4sccc34)CCO2)cc1Cl 66815711 HUMIOOGSOKAENM-CQSZACIVSA-N 366.273 4.576 0 50 FJAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3conc3-c3ccccc3)[nH]c2c1 82109453 HGIMJVMUHWGTSF-LJQANCHMSA-N 372.428 4.504 0 50 FJAA CC[C@H](c1ccccn1)N(C)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 95388352 PYDDCCSZVYONDQ-OAQYLSRUSA-N 370.456 4.620 0 50 FJAA Cc1ccccc1-c1csc(NC(=O)c2ccc(Cn3ccnc3)cc2)n1 122723087 ODMRTAHUUYPDDG-UHFFFAOYSA-N 374.469 4.616 0 50 FJAA CCOc1ccc2[nH]c3c(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c2c1 245310325 IEHHAKLIOWSHEN-PEBXRYMYSA-N 364.493 4.915 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c(Br)n1 755848218 LAGHUMRMCRUEQZ-MRXNPFEDSA-N 373.294 4.562 0 50 FJAA O=C(Cc1cccnc1Cl)Nc1cccc(OCCc2ccccc2)c1 1467499897 JAQYPTXGVRHJIA-UHFFFAOYSA-N 366.848 4.538 0 50 FJAA CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@@H](C)C2 652473 QWTHDOFHJOUJCY-BUUCAEBMSA-N 373.474 4.683 0 50 FJAA O=C(COc1ccccc1Cl)c1ccc(OC(=O)c2ccccc2)cc1 2846454 ZTAQSIXCSSHYGM-UHFFFAOYSA-N 366.800 4.821 0 50 FJAA COc1ccc2c(Cl)c(C(=O)Nc3cccc(NC(C)=O)c3)sc2c1 2872637 WURYEPVJFHKYSS-UHFFFAOYSA-N 374.849 4.774 0 50 FJAA CC(C)(C)C(=O)Nc1nnc(CC(c2ccccc2)c2ccccc2)s1 5013368 KIRYBHTZPUKSQT-UHFFFAOYSA-N 365.502 4.897 0 50 FJAA O=C(CSCc1cccc(Cl)c1)Nc1ccccc1Br 5102464 MMUIVFVPSXKDEA-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c2c(C)noc2n1 13642220 RVMNZLAXHFLLKI-UHFFFAOYSA-N 355.482 4.947 0 50 FJAA CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 13745388 IAEOCDKZZPBIBT-GFCCVEGCSA-N 363.255 4.731 0 50 FJAA COc1ccccc1-c1nnc(CNc2ccc3c4c(cccc24)CC3)o1 132921596 AMZDRMYGSRWNIU-UHFFFAOYSA-N 357.413 4.609 0 50 FJAA COc1cc(CNc2ccc(C)nc2N(C)C)ccc1OCCC(C)C 1875341855 LAERLLFFPHARKY-UHFFFAOYSA-N 357.498 4.502 0 50 FJAA CC(C)(C)c1cnc(NC(=O)c2cccn2CCc2ccccc2)s1 2325871419 KROSIYSZOOOALQ-UHFFFAOYSA-N 353.491 4.737 0 50 FJAA O=C(NC(=S)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl 641629 NVAXNSOBXDNALH-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA C[C@@H](NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 675586 ZCEAFLGQCHQXDZ-MRXNPFEDSA-N 360.482 4.719 0 50 FJAA NC(=O)c1c(NC(=O)CCC2CCCCC2)sc2c1CCCCCC2 995163 SJNPCNJUVMCVPC-UHFFFAOYSA-N 362.539 4.805 0 50 FJAA COc1cc(OC)cc(C(=O)Nc2nc3ccc4ccccc4c3s2)c1 3898683 NEQWJUXIJUTFSR-UHFFFAOYSA-N 364.426 4.719 0 50 FJAA CCCC[C@H](CC)C(=O)NC1CCC(NC(=O)[C@@H](CC)CCCC)CC1 4614438 WHFDZVRYSUDUBR-VCAKUFKGSA-N 366.590 4.963 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1cccc2ccc(C)nc12 8590687 OAVFXGDEIVDANS-UHFFFAOYSA-N 371.234 4.567 0 50 FJAA Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4cccnc4)nc3c12 9183720 FQAXULXBMREPOQ-UHFFFAOYSA-N 360.465 4.653 0 50 FJAA COCC1CCN(C(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 12744831 ZUHHYRSNXQMEEH-NRFANRHFSA-N 371.908 4.747 0 50 FJAA Cc1ccc2c(c1)CN(C(=O)CCCc1ccc(Cl)cc1)C[C@H](C)O2 14994199 FZNCFIYQVMQMGE-INIZCTEOSA-N 357.881 4.781 0 50 FJAA Cc1ccccc1SC1CCN(C(=O)c2cccc3cccnc23)CC1 77375084 BFCHBKNVOHLLSF-UHFFFAOYSA-N 362.498 4.940 0 50 FJAA CC1(C)C(=O)[C@@]2(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC[C@H]1C2 100748415 PDTXSQCTLQNEOG-GBXCKJPGSA-N 361.485 4.611 0 50 FJAA C[C@@H](c1ccccc1)N1CC[C@@H](NCCCc2nc3ccccc3s2)C1 222097290 URMDPOGBOZJLMH-PKOBYXMFSA-N 365.546 4.654 0 50 FJAA Cc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)c1 299793590 HHUKAGWKMUNZHU-GOSISDBHSA-N 352.478 4.677 0 50 FJAA Cc1ccc(S(=O)(=O)c2nc(C)sc2N[C@@H](C)c2ccccc2)cc1 1857800231 QUMUYTQLONYSTR-AWEZNQCLSA-N 372.515 4.766 0 50 FJAA COc1cc2ccc(NC(=O)N3C[C@H]4CCCCC[C@H]43)cc2cc1OC 1875267727 MAGHHBFPCKFDRJ-CRAIPNDOSA-N 354.450 4.653 0 50 FJAA C[C@H](NCc1cnn(C2CCOCC2)c1)c1ccc(Cl)c2ccccc12 2325777428 ATKOTFJZRCFKOB-HNNXBMFYSA-N 369.896 4.892 0 50 FJAA CCCc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 1230927 XJRUOVHEHMTNRC-UHFFFAOYSA-N 362.267 4.728 0 50 FJAA COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1383618 IRXCIZDXHFVYLH-CXUHLZMHSA-N 359.425 4.926 0 50 FJAA CCn1c(SCc2c(F)cccc2F)nc2sc(C)c(C)c2c1=O 2386474 STGRNBYKZKSUMQ-UHFFFAOYSA-N 366.458 4.665 0 50 FJAA Cc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(Cl)c3)c2C)cc1 2796565 SUXKKJIFKWNRMP-UHFFFAOYSA-N 353.853 4.762 0 50 FJAA CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 2986351 RGXBHSVYFMQYQZ-UHFFFAOYSA-N 373.412 4.931 0 50 FJAA Cc1ccc(N[C@@H]2CCCN(C(=O)CCc3ccccc3C)C2)cc1C 11821925 APZMCRINMTZJLY-JOCHJYFZSA-N 350.506 4.648 0 50 FJAA CC(C)NC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 12138785 KZZRFSBUTMTHCJ-UHFFFAOYSA-N 358.441 4.744 0 50 FJAA O=C(O)CCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 17075253 YYBFIRTWNJSPIB-UHFFFAOYSA-N 366.442 4.671 0 50 FJAA O=C(O[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](c1ccccc1)C1CCCC1 71769317 LAUAHIVTDOZZLW-PKTZIBPZSA-N 363.501 4.778 0 50 FJAA Cc1cccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 77505227 OWIIQMYQLHXUEB-GOSISDBHSA-N 363.436 4.544 0 50 FJAA Cc1cc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)s1 163941710 XGWIKXVSWFCGDJ-YJLNNSPDSA-N 358.507 4.645 0 50 FJAA Cc1cc(NC2CCN(Cc3ccccn3)CC2)cc(C)c1Br 170612402 NIVJQCNFZPAMHZ-UHFFFAOYSA-N 374.326 4.537 0 50 FJAA CC[C@@H]1CCCCCN1C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 170635419 REFBNOLANYJAOA-CYBMUJFWSA-N 354.372 4.861 0 50 FJAA CC[C@@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1ccccc1 229497272 LPNCOWSARQBFKP-CRAIPNDOSA-N 357.523 4.507 0 50 FJAA Cc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cn1 240624237 ACVNTPHRSSFJDJ-UHFFFAOYSA-N 371.362 4.672 0 50 FJAA O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1scnc1C1CC1 252500497 SWUKKTIWLZBIDR-NSHDSACASA-N 369.273 4.581 0 50 FJAA Cc1cn(CCCCn2c(C)cc(=N)c3ccccc32)c2ccccc2c1=N 334160139 DMOAMCDGQIBCRZ-UHFFFAOYSA-N 370.500 4.652 0 50 FJAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C 408557447 MUCQRZDWLTUFSJ-UHFFFAOYSA-N 360.262 4.501 0 50 FJAA CSc1ccc(CN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)C2CC2)cc1 952981428 WRJSCMQYGYVKJB-UHFFFAOYSA-N 367.474 4.505 0 50 FJAA O=C(c1cccs1)[C@H]1CCCN(Cc2cncn2C2CCCCC2)C1 1506404337 CITMNQJHERXMHW-INIZCTEOSA-N 357.523 4.545 0 50 FJAA Cc1cc(Oc2ccccc2)nc(N(C)Cc2ccc3cnccc3c2)n1 1875333555 BJLIVSYXYKELGJ-UHFFFAOYSA-N 356.429 4.762 0 50 FJAA C[C@H]1Cc2ccc(F)cc2[C@@H]1NC(=O)c1ccc(-c2ccccc2CN)cc1 2325829599 NTADPHPPPJXFSX-NPMXOYFQSA-N 374.459 4.615 0 50 FJAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc2ncsc12 2356140402 HRZUJPCJZQZIHO-UHFFFAOYSA-N 350.365 4.587 0 50 FJAA CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1 682289 RZVZPWRRYRPMHD-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1 976219 RPLPQQABDPFLLZ-UHFFFAOYSA-N 369.424 4.800 0 50 FJAA Cc1ccccc1-n1c(SCc2ccccc2)nnc1-c1cccnc1 1117174 GABIJYFAZFUFLU-UHFFFAOYSA-N 358.470 4.930 0 50 FJAA O=Cc1ccc(OCc2ccc(F)cc2)cc1OCc1ccc(F)cc1 4806458 QNUKBXVCDKLXCM-UHFFFAOYSA-N 354.352 4.935 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1nnc(C2CCCCC2)s1 6667677 XCXPWZXLRXIPCT-UHFFFAOYSA-N 351.859 4.500 0 50 FJAA Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]1 11819560 RNNMMDIQEOMFIR-HXUWFJFHSA-N 367.880 4.552 0 50 FJAA CC[C@]1(C)Cc2c(sc3[nH]c(=S)n(-c4ccccc4C)c(=O)c23)CO1 18194068 TWSTXAWADVYCCV-LJQANCHMSA-N 372.515 4.660 0 50 FJAA CS[C@H](C)Cc1c(-c2ccccc2)ncn1Cc1ccc2c(c1)OCO2 65454529 HFAYLGFCJAWVRY-OAHLLOKOSA-N 366.486 4.621 0 50 FJAA CN1CCC(n2cnc(-c3ccccc3)c2-c2cc3ccccc3[nH]2)CC1 67674330 SPHRUZKOTPADGS-UHFFFAOYSA-N 356.473 4.965 0 50 FJAA Cc1ccc2[nH]cc(CN3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)c2c1 67817165 JZNPOYPJRZECBP-HXUWFJFHSA-N 368.484 4.923 0 50 FJAA COC(C)(C)C(=O)NCc1cc(Cl)cc2c(C)c(-c3ccccc3)[nH]c12 71416038 RQDBUHMZXFNOCI-UHFFFAOYSA-N 370.880 4.838 0 50 FJAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc2cc[nH]c2c1 72425837 MSVROGJURGDSKQ-UHFFFAOYSA-N 353.472 4.625 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239231204 VCTLNUYPMBPRDQ-HYFYGGESSA-N 356.293 4.702 0 50 FJAA CCc1nc2cc(NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)ccc2o1 252481039 CHAWPMBAPPFCPR-CYBMUJFWSA-N 355.360 4.585 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C2(C(F)(F)F)N=N2)CC1 1875355615 ATMUCLCEWDPSEU-UHFFFAOYSA-N 373.378 4.930 0 50 FJAA COc1c(Cl)cc(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1Cl 2325722647 JZVHMTHCCASTCX-HNNXBMFYSA-N 354.208 4.558 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(Cl)c1 792506 BVECWNSBAPMUCA-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948930 WCESJICLTUDEBR-UHFFFAOYSA-N 354.358 4.737 0 50 FJAA CCOC(=O)[C@@H](CC)Sc1ncnc2scc(-c3ccccc3)c12 955544 LOWYXIKASQIIHQ-CQSZACIVSA-N 358.488 4.792 0 50 FJAA Cc1ccccc1OCCNc1nc(C)c(C(=O)Nc2ccccc2)s1 2193823 LOECYMONOJTLRJ-UHFFFAOYSA-N 367.474 4.503 0 50 FJAA CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1OC 11907412 HOPZLGIMKFEMOJ-GOSISDBHSA-N 352.459 4.753 0 50 FJAA Cc1c([C@@H](C)NCc2ccc(OC(F)F)cc2)cnn1-c1ccccc1 12030211 NBXFXGYKSGTDAM-CQSZACIVSA-N 357.404 4.633 0 50 FJAA Cc1ccsc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C 55270165 YODUWLJCQPHENK-UHFFFAOYSA-N 356.491 4.680 0 50 FJAA CN(C)C(=O)c1cccc(Cn2ccnc2-c2ccccc2-c2ccco2)c1 77422076 IDZWCTYNVHDLDC-UHFFFAOYSA-N 371.440 4.560 0 50 FJAA CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(SCc2ccco2)cc1 95498572 KASHRNJATQQRCH-KRWDZBQOSA-N 374.506 4.995 0 50 FJAA CCSCCN(C(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CCCCC1 97604115 ONRBVYTXYWQDQT-UHFFFAOYSA-N 361.511 4.506 0 50 FJAA CC[C@](C)(NC(=O)Nc1nc(-c2ccco2)cs1)c1nc(C)cs1 170643958 IFKVEEVQDWAAKT-INIZCTEOSA-N 362.480 4.615 0 50 FJAA O=C(N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)c1cccc(OC(F)F)c1 223675547 AHGICIYABPWKMG-KSSFIOAISA-N 363.379 4.568 0 50 FJAA Fc1cc(CNc2ncccc2Br)ccc1Oc1cccnc1 225549039 DIFOOIRHQKRHTC-UHFFFAOYSA-N 374.213 4.783 0 50 FJAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 230111338 HDYOHIPUTVLDED-FVLCUVFVSA-N 361.485 4.727 0 50 FJAA Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(C)n(C2CCCCC2)c1C 332186647 ORXPBLUXEBHSTJ-UHFFFAOYSA-N 350.413 4.832 0 50 FJAA Cc1cccc([C@H]2CCCN(C(=O)c3ccc(-c4ccc(O)cn4)cc3)C2)c1 534587704 CYMMEQMBDBKGDT-NRFANRHFSA-N 372.468 4.782 0 50 FJAA O=C(O)C(F)(F)[C@@H]1CC[C@@H](N[C@@H](CCc2ccccc2)c2ccccc2)C1 902149749 OEQQJJCKCMFOCG-AQNXPRMDSA-N 373.443 4.839 0 50 FJAA O=C(NCc1cccc(OCC2CC3(CCC3)C2)c1)Nc1ccccc1 1875317860 LBRAJJSEMCSKMV-UHFFFAOYSA-N 350.462 4.967 0 50 FJAA CC(C)Cc1c[nH][nH]c1=NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 2325861898 CACDSLVZTQSTJX-UHFFFAOYSA-N 367.396 4.516 0 50 FJAA Cc1cc(COc2cc(Br)cnc2C=O)cc(C(F)(F)F)c1 2325900217 PJDHICKMLFHNED-UHFFFAOYSA-N 374.156 4.563 0 50 FJAA CC(C)COC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 629884 NXXHDFCPFSVFMG-UHFFFAOYSA-N 369.461 4.640 0 50 FJAA O=C(CCC1CCCC1)Nc1nc2ccc(Br)cc2s1 669218 JJYBNCPDQYKTFO-UHFFFAOYSA-N 353.285 4.968 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C)c1C 2091389 NRVVBUFEBVSUMV-UHFFFAOYSA-N 351.855 4.837 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)Nc1ccccc1-2 2878571 WDXJUQHLPMQZJE-QGZVFWFLSA-N 368.437 4.683 0 50 FJAA O=C(CSc1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 2902198 XDUDNMKSLZSFGZ-UHFFFAOYSA-N 372.342 4.994 0 50 FJAA COc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 2976464 CEOUIBYAZKLYRB-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA O=C(Oc1ccc(F)cc1)c1nc(SCc2ccccc2)ncc1Cl 4820964 RTMBVNCLOFBKEJ-UHFFFAOYSA-N 374.824 4.781 0 50 FJAA O=C(NCc1ccccn1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 6616213 RIDVVVTURZRLIE-UHFFFAOYSA-N 373.843 4.880 0 50 FJAA Cc1ccc(-c2noc(CN(C(=O)Nc3ccccc3C)C(C)C)n2)cc1 7781721 YZFAKPPGAKWBLC-UHFFFAOYSA-N 364.449 4.796 0 50 FJAA COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13511290 SFXYYHFNZKZXMO-OFNKIYASSA-N 356.425 4.938 0 50 FJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)c(C)c1 44934883 FYXSMMFCPCWSHA-FQEVSTJZSA-N 364.533 4.701 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccco3)[nH]n2)s1 82125697 PIKSOCDGFNIXQP-MRXNPFEDSA-N 355.463 4.797 0 50 FJAA O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1C[C@H]1c1c(F)cccc1Cl 170635775 ISZJDLKIEWEXHY-CABCVRRESA-N 367.811 4.678 0 50 FJAA Cc1ccc(N[C@H](C)c2cn3ccccc3n2)cc1NC(=O)C(C)(C)C 225411266 GDIGCDTXXQQDBA-OAHLLOKOSA-N 350.466 4.800 0 50 FJAA O=[P@]1(O)[C@@H](c2ccccc2)O[C@H](c2ccccc2)O[C@H]1c1ccccc1 239235420 VXTLIEBHUAJBHQ-MZADTFQBSA-N 366.353 5.400 0 50 FJAA CCc1cc2c(Oc3cccc(Oc4cnccn4)c3)ncnc2s1 480583774 SOIPXRFTVCZZBN-UHFFFAOYSA-N 350.403 4.628 0 50 FJAA Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(CCCc2ccccc2)C1 883713 PDROKFHXWVCFHH-OAQYLSRUSA-N 350.506 4.587 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)c1cccc(NC(=O)c2ccco2)c1 991820 CIOADYPSCQSZHC-UHFFFAOYSA-N 374.318 4.803 0 50 FJAA COc1ccc2c(Cl)c(C(=O)NCc3cccnc3)sc2c1Cl 1215673 VXSOCKGOXDLZDK-UHFFFAOYSA-N 367.257 4.542 0 50 FJAA O=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)c(F)cc1Cl 1440930 MYEMPHIFYDRPJG-UHFFFAOYSA-N 357.813 4.770 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(Br)c1 1775882 SHWRVPZFWSVWTJ-UHFFFAOYSA-N 368.658 4.900 0 50 FJAA Cc1cc(Cl)ccc1OCCCc1nnc(S)n1Cc1ccccc1 6922158 QWZAVOKDMZCGNA-UHFFFAOYSA-N 373.909 4.589 0 50 FJAA COc1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1F 12196114 AEBASZHZUILGRX-INIZCTEOSA-N 361.844 4.583 0 50 FJAA O=C(c1ccccc1)c1c(NCc2ccccc2)ccnc1C(F)(F)F 23279824 FGMZWYZUBSXKQG-UHFFFAOYSA-N 356.347 4.944 0 50 FJAA O=C(c1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 34114397 FZJVHWISUGFFQV-UHFFFAOYSA-N 374.484 4.634 0 50 FJAA in-vitro Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 36621052 OIFXGHZDLCZMMZ-LJQANCHMSA-N 350.393 4.766 0 50 FJAA Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 184160891 WSVAOSLDMSXIGP-UHFFFAOYSA-N 368.412 4.525 0 50 FJAA COc1cc(/C=C/C(=O)Nc2cc(-c3cccnc3)ccc2C)cc(OC)c1 2325741445 JIDWWGDNGOPHFC-VQHVLOKHSA-N 374.440 4.726 0 50 FJAA Cc1coc(-c2nc(-c3ccc4ccccc4c3)nn2[C@H]2CCOC2)c1C 2325839970 KUBUNDPLAKRMHE-IBGZPJMESA-N 359.429 4.937 0 50 FJAA FC(F)c1nnc(N2CCC[C@@H]2CCCc2ccccc2)n1CC1CC1 2325842415 XMUFWIDZWRWMOH-KRWDZBQOSA-N 360.452 4.617 0 50 FJAA CC[C@H](NC(=O)c1cc(OC)ccc1-c1ccccc1C)[C@H]1CCCOC1 2325842551 ALFHCKOVPFBVQL-JTSKRJEESA-N 367.489 4.606 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccco2)sc(C)c1-c1ccccc1 959467 MPUZLRDPBYDWFB-UHFFFAOYSA-N 355.415 4.746 0 50 FJAA CCCN(CCC)C(=O)c1c(NC(=O)CC)sc2c1CCCCC2 1188678 PVIRPRRLTXDTGE-UHFFFAOYSA-N 350.528 4.628 0 50 FJAA CC(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 1200619 QDKZUDSURSAXDQ-UHFFFAOYSA-N 370.518 4.882 0 50 FJAA Cc1cccc(C(=O)OCCSc2nc(C)c3cc(C)c(C)cc3n2)c1 1813021 XHIQJRISRHRCGZ-UHFFFAOYSA-N 366.486 4.813 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)cc1 2209944 GMKLGDZPMAQJBP-UHFFFAOYSA-N 354.435 4.556 0 50 FJAA CC(=O)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 2362795 RJSKOLIBTJXMPZ-UHFFFAOYSA-N 364.923 4.621 0 50 FJAA O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)O 4813498 CDIIDCKTLSEYTO-UHFFFAOYSA-N 370.257 4.564 0 50 FJAA COc1ccccc1[C@@H]1CN(Cc2cccc(C)n2)Cc2ccccc2O1 12126303 MLXJSPDFMKDBTM-QHCPKHFHSA-N 360.457 4.535 0 50 FJAA O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 12204608 UWDDWBDYPHTKBD-LJQANCHMSA-N 372.871 4.720 0 50 FJAA CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 12274084 BCNJADZVTYDDNE-UHFFFAOYSA-N 368.868 4.661 0 50 FJAA Cc1cccc2cc(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)oc12 72163619 WFCZCSBOWCWMOX-SFHVURJKSA-N 352.409 4.597 0 50 FJAA Cc1c(NC(=O)c2cc(C(F)(F)F)ccc2F)cnn1-c1ccccc1 129007689 HCOBWQWMXZTQOF-UHFFFAOYSA-N 363.314 4.591 0 50 FJAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ncc(C(F)(F)F)s1 170609657 SCEULLKLMHWMPU-LBPRGKRZSA-N 355.385 4.839 0 50 FJAA O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccncc1Cl 170646472 BRPDFZHPGSRBGR-INIZCTEOSA-N 363.269 4.969 0 50 FJAA O=C(NCCCSCc1ccc(F)cc1)c1cc(-c2ccccc2)on1 215816576 HCMQXELMJNFUSA-UHFFFAOYSA-N 370.449 4.534 0 50 FJAA CC(C)n1ccnc1-c1cccc(C(=O)N2CCCC[C@@H]2c2cccnc2)c1 299779105 UBRONHHFGPOIEV-OAQYLSRUSA-N 374.488 4.893 0 50 FJAA CO[C@H](C)c1cccc(NC(=O)N2CCC(c3ncc(C)s3)CC2)c1 433516089 MVCAXXPGLXCNPE-CQSZACIVSA-N 359.495 4.570 0 50 FJAA Cc1cc(-n2ccnc2)ccc1C(=O)N(C(C)C)[C@@H]1CCCc2cccnc21 952845077 WPJZZBRLHRSLBU-OAQYLSRUSA-N 374.488 4.504 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 1875324698 JFSVUAIZNAIGHK-UHFFFAOYSA-N 362.491 4.884 0 50 FJAA CCCCCn1cc(C(=O)N[C@H](C)[C@](C)(OC)C2CC2)c2ccccc21 1875357635 OOEFNTYGURRSEC-ZHRRBRCNSA-N 356.510 4.765 0 50 FJAA Cc1cn2c(C(=O)O[C@H](C)c3c(F)cccc3Cl)c(C)nc2s1 2325825160 GWIKEZMPNNYBIW-SNVBAGLBSA-N 352.818 4.723 0 50 FJAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1csc(C)c1C 648397 WYIQDUVQJLEXGR-UHFFFAOYSA-N 351.493 4.979 0 50 FJAA O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccccc1 912870 HVEAXECXABXTJR-UHFFFAOYSA-N 358.466 4.737 0 50 FJAA O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)o1 1114377 WCKQIWQIZYEJIR-UHFFFAOYSA-N 356.219 4.562 0 50 FJAA COc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1 1211312 DEJOLOBDDFFDTH-UHFFFAOYSA-N 374.396 4.770 0 50 FJAA biogenic CCCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 1778010 ZAYIUCUSXTXDJL-DHZHZOJOSA-N 360.251 4.890 0 50 FJAA CCc1ccccc1NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 2513663 IDJIDNOFSNDDRA-UHFFFAOYSA-N 357.885 4.565 0 50 FJAA C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)CCCC2 2833685 OPFVZYPDDMMYRS-VIFPVBQESA-N 369.333 4.752 0 50 FJAA Cc1cc(C)c2nc(-c3ccccc3Br)cc(C(=O)O)c2c1 4652010 OPYHJTXXCVFDRJ-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1ccncc1)O2 5029199 YAUGIQJKPRYIRP-QFBILLFUSA-N 351.793 4.570 0 50 FJAA Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)nc1 6401176 BBGTTYUVWQPHAG-UHFFFAOYSA-N 374.831 4.906 0 50 FJAA Cc1cc(F)ccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 6981486 MNCIKLSJPKQROI-UHFFFAOYSA-N 354.381 4.570 0 50 FJAA O=C(COc1ccc2ccccc2c1)Nc1ccc(Cc2ccccn2)cc1 8306566 BUMZQVUEDQEJSX-UHFFFAOYSA-N 368.436 4.843 0 50 FJAA Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 8654816 PWCTYOKWNXKDOQ-HXUWFJFHSA-N 356.897 4.605 0 50 FJAA C[C@@H](Oc1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 9167377 KPDBEVAORIQAOL-LLVKDONJSA-N 374.853 4.976 0 50 FJAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1cc(Cl)c(Cl)cc1Cl 12406463 DYMCAIOHJYVQGI-AOOOYVTPSA-N 350.673 4.815 0 50 FJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 12579593 LKTGMNSHNJYQIM-QGZVFWFLSA-N 359.901 4.521 0 50 FJAA Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(-c3ccco3)cc(C(F)F)c12 20603682 ATALLLSJWCIKIW-UHFFFAOYSA-N 369.327 4.625 0 50 FJAA CCCc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(Cl)c2)no1 55244918 ASOXESHNKOCGRD-UHFFFAOYSA-N 363.845 4.517 0 50 FJAA CCn1ccnc1[C@@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1 91620244 WILMWOHAZLLVSJ-MRXNPFEDSA-N 366.534 4.866 0 50 FJAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1ccncc1)O2 100708665 YAUGIQJKPRYIRP-LPHOPBHVSA-N 351.793 4.570 0 50 FJAA Cc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1C 101203235 INABSEFWOIBJAV-QGZVFWFLSA-N 354.816 4.743 0 50 FJAA Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 170624902 BMJCZHHRVUBENC-QGZVFWFLSA-N 372.419 4.597 0 50 FJAA COC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F 195831861 XZCYLQFNGHAFPO-UHFFFAOYSA-N 350.510 4.986 0 50 FJAA Cc1c(CN(Cc2ccccn2)C[C@@H]2CCCO2)[nH]c2ccc(Cl)cc12 1506420401 CQTJTQKGFQOTPF-SFHVURJKSA-N 369.896 4.706 0 50 FJAA C[C@]1(C2CCCCC2)CCN1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 1875408083 NYPKNASANVCXCW-QEUVDIPISA-N 358.913 4.732 0 50 FJAA CC(C)(C)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1088107 RUHJXUVXXXVDFO-UHFFFAOYSA-N 371.546 4.628 0 50 FJAA COc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 1230466 KXHVQXPEORHIKB-UHFFFAOYSA-N 364.879 4.689 0 50 FJAA CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 2008410 ZZJYIKPMDIWRSN-HWBMXIPRSA-N 361.529 4.845 0 50 FJAA biogenic,in-man CCCCOc1ccc(C(=O)Nc2cccc(C(=O)OCCC)c2)cc1 2071926 HZFZXKXZTOABNI-UHFFFAOYSA-N 355.434 4.685 0 50 FJAA COc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1 2458845 RTQRFYDCTAKSJF-UHFFFAOYSA-N 365.380 4.845 0 50 FJAA O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1Cl 2891074 CBIAOUDGGKCCBS-UHFFFAOYSA-N 358.265 4.682 0 50 FJAA C[C@H](NC(=S)N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 4182723 HVQDMPZQMJIZFH-BZSISCHUSA-N 354.563 4.524 0 50 FJAA CCc1c(C)c2ccc(OCC(=O)c3ccc(C)cc3)c(C)c2oc1=O 22170717 CTCDPHGJCSRUFI-UHFFFAOYSA-N 350.414 4.542 0 50 FJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)c2onc3ccccc23)cc1Cl 55108589 XXTMQWFYLKNOQB-UHFFFAOYSA-N 371.824 4.718 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2c1 67803460 WDHQPOHROIMBHP-HSZRJFAPSA-N 361.489 4.640 0 50 FJAA CCCCn1ccnc1C1CCN(C(=O)Nc2cc(C)ccc2C)CC1 91460846 FDZGPVBIEKYMEC-UHFFFAOYSA-N 354.498 4.712 0 50 FJAA O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl 95929139 YYQFQYSMAXBVOY-UHFFFAOYSA-N 351.789 4.958 0 50 FJAA O=C(C1CCC(C(F)(F)F)CC1)N(Cc1cccnc1)Cc1ccco1 278365946 XMWUCHRDLUABFR-UHFFFAOYSA-N 366.383 4.572 0 50 FJAA CN(CCC1CCOCC1)C(=O)c1cccc(-c2ccccc2Cl)c1 299789685 ADSMTMWCOQLZFL-UHFFFAOYSA-N 357.881 4.896 0 50 FJAA O=C(c1coc(C2CCCCC2)n1)N1CCc2[nH]c3ccc(F)cc3c2C1 328759632 WXDVEMLGOSSJQM-UHFFFAOYSA-N 367.424 4.541 0 50 FJAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1 426445656 RFDVKDSVGBFSFG-IBGZPJMESA-N 371.452 4.533 0 50 FJAA CCCC[C@H](NC(=O)N(C)Cc1[nH]c2ccccc2c1C)c1cccnc1 534658101 MUUKUGMEPPKJFV-IBGZPJMESA-N 364.493 4.944 0 50 FJAA c1ccc(CNc2ncc(CN3CCCCC[C@H]3c3ccco3)cn2)cc1 820414160 KLNAHEQCHKEWCM-FQEVSTJZSA-N 362.477 4.799 0 50 FJAA COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 666505 DCLJDUBJLBBSMU-UHFFFAOYSA-N 372.218 4.970 0 50 FJAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C)(C)C 959519 WBWVMWYAYARWHB-UHFFFAOYSA-N 361.463 4.585 0 50 FJAA CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccncc2)c(C(C)C)c1 1218730 RTXXZJWVMUKIDE-UHFFFAOYSA-N 374.550 4.930 0 50 FJAA C[C@H](NC(=O)c1cccs1)c1ccc(OC(=O)c2cccs2)cc1 1423586 ITIAVNDLJKOUAN-LBPRGKRZSA-N 357.456 4.520 0 50 FJAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 1461206 LEGIFIOZTPFJBR-FZMZJTMJSA-N 359.853 4.845 0 50 FJAA Cc1nn(C)cc1CN(C)C(=O)c1sc2cccc(Cl)c2c1Cl 2769755 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4.824 0 50 FJAA CCOc1ccc(OCc2cccc(C(=O)NC3CCCCC3)c2)cc1 648432 KRKFJTHBZKYZEU-UHFFFAOYSA-N 353.462 4.727 0 50 FJAA COc1cc(N2COc3ccc4ccccc4c3C2)c(OC)cc1Cl 953927 VAKRHXYDKRXMPB-UHFFFAOYSA-N 355.821 4.867 0 50 FJAA Cn1c(COc2nnc(-c3ccccc3)c3ccccc23)nc2ccccc21 972740 XZAIZSZNYJEPKN-UHFFFAOYSA-N 366.424 4.763 0 50 FJAA O=Cc1cn(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc12 1127539 MTBJOGAWYNPZAE-SFHVURJKSA-N 368.436 4.623 0 50 FJAA COc1cc(C(=O)Nc2ccccc2F)ccc1OCc1ccccc1 1132991 ZOXCWRIFFSEJBO-UHFFFAOYSA-N 351.377 4.666 0 50 FJAA COc1ccccc1Oc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 1133060 HPYXWZVOELVSRO-UHFFFAOYSA-N 369.442 4.597 0 50 FJAA CCc1ccccc1NC(=O)CSCc1cccc(Br)c1 1170644 IFHVDKDAMQFLHJ-UHFFFAOYSA-N 364.308 4.883 0 50 FJAA O=C(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1 4694101 VPZBKUNWAPHCLV-UHFFFAOYSA-N 362.901 4.837 0 50 FJAA COc1ccc2[nH]/c(=N/C(=O)c3sc4ccccc4c3Cl)sc2c1 6887107 OBUOCYUMDJKSNJ-UHFFFAOYSA-N 374.874 4.847 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 12138225 FFCDSHNRBROWNB-UHFFFAOYSA-N 356.853 4.609 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccsc2)C1 12303719 OWWATPBUIZLSBP-OAHLLOKOSA-N 353.409 4.862 0 50 FJAA C[C@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65420662 FYJVNPXUGYWBSX-MRXNPFEDSA-N 368.477 4.805 0 50 FJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 95518410 MIBFJMZORZKXNL-INIZCTEOSA-N 372.538 4.817 0 50 FJAA CN(Cc1ccc(Cl)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 252510609 ARARJJISSMNJMD-HIFRSBDPSA-N 362.709 4.798 0 50 FJAA CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1c[nH]nc1-c1ccc(F)cc1 823702964 UUSPINUYYLZQMS-IBGZPJMESA-N 369.440 4.682 0 50 FJAA CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)cc1 1704298543 JCLUXOJFDQMGCU-UHFFFAOYSA-N 369.530 4.750 0 50 FJAA Cc1cc(C)c(NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Cl)c1 1875320609 HKNUCVTUDRMMRE-UHFFFAOYSA-N 365.860 4.831 0 50 FJAA Cc1cccc2c(CCNc3nc4ccccc4nc3N3CCCC3)c[nH]c12 1875341758 GIIIZCVRZPFNOY-UHFFFAOYSA-N 371.488 4.674 0 50 FJAA CO[C@@H]1C[C@H]2C[C@H]1C[C@H]2N(C)C(=O)[C@@H](c1ccccc1C)C1CCCC1 1875408226 RAKXVHLZPJSXTC-HVYFLLBWSA-N 355.522 4.541 0 50 FJAA Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1ccc2c(Cl)cccc2n1 2325725571 MHCBNCWBVNIOSH-CQSZACIVSA-N 373.865 4.757 0 50 FJAA CCOc1nccc2oc(-c3ccc(CC[C@H](C)CC(=O)O)cc3)cc12 2325879619 AZJSYLWLRXCVNL-AWEZNQCLSA-N 353.418 4.937 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C 831816 DSTWZIKPKZBIQI-UHFFFAOYSA-N 363.288 4.573 0 50 FJAA COc1cccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c1 949218 RQMOFZOGGZJTLY-UHFFFAOYSA-N 370.832 4.913 0 50 FJAA CCCCOc1ccc(C(=O)Nc2cc3c(cc2CCC)OCO3)cc1 2877775 TZFCQAXSHBXFGG-UHFFFAOYSA-N 355.434 4.799 0 50 FJAA Cc1ccc(OCCNC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1C 2999912 FMQXDKWDBYWALG-DEOSSOPVSA-N 373.496 4.825 0 50 FJAA Cc1cc(C)c2nc(-c3cccc(Br)c3)cc(C(=O)O)c2c1 4651887 DEMODZFUXXBGSV-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cc(C(C)C)[nH]n2)C1 12299668 GXBJBEBSBIMMHB-OAHLLOKOSA-N 359.901 4.590 0 50 FJAA C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C)C1SCCS1 43762244 YDAQKVWTWGRIQQ-JMLZYGAQSA-N 366.592 4.832 0 50 FJAA Fc1ccccc1-c1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72411253 XCUXLVOBZAYONF-UHFFFAOYSA-N 367.855 4.606 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N1CCC2(C=Cc3ccccc32)CC1 92078972 ZCKGDPMTBGCXHO-UHFFFAOYSA-N 352.503 4.776 0 50 FJAA CC(C)c1ncc(Cl)c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 170597020 HJXVJSSWPKYSEF-UHFFFAOYSA-N 364.276 4.716 0 50 FJAA CCC(CC)N(C(=O)NC[C@](C)(O)c1ccco1)c1ccc(C)c(C)c1 225460359 ZMMLZEQOBMYTHH-NRFANRHFSA-N 358.482 4.509 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)cc1F 426420262 STJAFLUJKCRXOE-FQEVSTJZSA-N 355.453 4.832 0 50 FJAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc(-c3cnccn3)cc2)c1 426535253 UNCKWBSHWLQKGP-QFIPXVFZSA-N 373.456 4.520 0 50 FJAA CO[C@@H](C)c1cccc(NC(=O)N2CCC(c3ncc(C)s3)CC2)c1 433516088 MVCAXXPGLXCNPE-AWEZNQCLSA-N 359.495 4.570 0 50 FJAA Cc1c(CSC(C)C)cccc1NC(=O)c1c[nH]nc1-c1ccncc1 472084306 PZTHOBNXXGRJAO-UHFFFAOYSA-N 366.490 4.674 0 50 FJAA CN(CCCN1CCCCCC1)Cc1ccc([C@@H]2CCCCO2)s1 952864366 YPVZNCVWIRZLEP-IBGZPJMESA-N 350.572 4.688 0 50 FJAA Cc1cccc(OC(C)(C)C(=O)Nc2onc(C)c2-c2ccccc2)c1 1529174437 SDQRWNVCIHISAN-UHFFFAOYSA-N 350.418 4.755 0 50 FJAA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 1013759 TWBHLWNGYGZMPX-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA O=S(=O)(Nc1ccc(Cl)cc1F)c1cc(Cl)ccc1Cl 1114566 SVZOAHFOFPUWAP-UHFFFAOYSA-N 354.617 4.587 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Br 1143839 CKWDXLXJZUNENX-UHFFFAOYSA-N 354.631 4.754 0 50 FJAA Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nc(C)cc(C)n1 1155335 AXPSEZFKPJWJSM-CQSZACIVSA-N 369.534 4.813 0 50 FJAA CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(Br)ccc1O2 2025733 BDULIJWZMMHIEQ-LJQANCHMSA-N 356.263 4.979 0 50 FJAA in-vitro CCc1noc(C)c1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 2755066 YSXHSRDOYYWXIL-UHFFFAOYSA-N 361.854 4.883 0 50 FJAA Cc1cccc(CCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c1 5049787 QVQQMKISATYSFS-UHFFFAOYSA-N 363.482 4.897 0 50 FJAA COc1ccccc1Oc1ncccc1CNCc1cc2ccccc2o1 12435675 LUJSKCCGHHOVJO-UHFFFAOYSA-N 360.413 4.919 0 50 FJAA O=C(c1ccncc1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71762154 CSYVHQIEXKPZRA-INIZCTEOSA-N 362.395 4.585 0 50 FJAA COc1ccccc1[C@@H](c1ccccn1)[C@@](C)(O)c1cccc(Cl)c1 96027058 REIVRNUGXIAAIZ-SFTDATJTSA-N 353.849 4.783 0 50 FJAA C[C@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)c2ccccc2S1 171405862 WVURXYZNUOCJHT-ZDUSSCGKSA-N 367.499 4.736 0 50 FJAA C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H]1c1cccn1C 241774168 RNQJFOKUSFRFHP-MBSDFSHPSA-N 373.500 4.856 0 50 FJAA O=C(CCCc1nc(O)c2ccccc2n1)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 253534045 XKWXVTRBMUPCON-IXDOHACOSA-N 368.477 4.560 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)on1 426599029 WNWRKDLLXVFOGV-HXUWFJFHSA-N 374.440 4.562 0 50 FJAA CCOc1ccc([C@H](CC)NC(=O)c2ccc(NC(C)=O)cc2Cl)cc1 823374731 LYJAECQSDDJXCA-IBGZPJMESA-N 374.868 4.578 0 50 FJAA CCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 657198 YUAQTUPAWOQDSB-UHFFFAOYSA-N 360.385 4.739 0 50 FJAA O=C(NCc1cccnc1)c1ccc(COc2cccc3ccccc23)cc1 812275 TYAXHWYORUQJKQ-UHFFFAOYSA-N 368.436 4.744 0 50 FJAA COc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 1052464 QNGXNKJPYWZECP-UHFFFAOYSA-N 352.459 4.591 0 50 FJAA OC1(C2(O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1067326 BYCCQIUUDIJFFJ-UHFFFAOYSA-N 362.428 4.819 0 50 FJAA Cc1c(Br)ccc(NC(=O)CSc2ccc(F)cc2)c1C 1139927 XDQBSZSGRDWQTF-UHFFFAOYSA-N 368.271 4.936 0 50 FJAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCCO2 1184024 VJTIOQCWJSFCHX-UHFFFAOYSA-N 358.608 4.670 0 50 FJAA Cc1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1C 1207509 OFTXSSLDXLSDOD-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA C[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2Cl)C1 1460340 CHZUKCDZUBVPEF-NSHDSACASA-N 374.706 4.518 0 50 FJAA O=C(NC(=S)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 2813731 RTCFSRGSUCWRHL-UHFFFAOYSA-N 374.509 4.513 0 50 FJAA CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 4820008 JHOVUVWGIRYEJY-UHFFFAOYSA-N 369.368 4.632 0 50 FJAA Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cc(C)ccc2C)cc1 4964775 DGTGLMFYZAPZEA-STZFKDTASA-N 374.440 4.614 0 50 FJAA Sc1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccccc1 5999329 KLNJORGVBYPTSK-UHFFFAOYSA-N 366.273 4.501 0 50 FJAA Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C1CCCCC1 6466174 UXVNGOXWGIITLX-UHFFFAOYSA-N 354.479 4.548 0 50 FJAA CCn1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc21 10007899 FULYCCAIPYCUEZ-UHFFFAOYSA-N 363.442 4.686 0 50 FJAA CC1=C(CCN2CCC[C@H](CNC(=O)c3ccco3)C2)C(C)(C)CCC1 12717064 MDPRFQYSCSKGJY-GOSISDBHSA-N 358.526 4.638 0 50 FJAA CC(C)c1csc(CN2CCC(CO)(CCCc3ccccc3)CC2)n1 12759182 SNNQNUUCGUIGHR-UHFFFAOYSA-N 372.578 4.864 0 50 FJAA Cc1nc2ccccc2n1C(=O)CCCCC(=O)n1c(C)nc2ccccc21 13161658 HNWRJWVZTAJIEY-UHFFFAOYSA-N 374.444 4.544 0 50 FJAA Cc1ccc(-c2nc(CNc3cc4c(cc3F)NC(=O)CC4)cs2)cc1 155782678 GWYSQKVHFHFLCJ-UHFFFAOYSA-N 367.449 4.754 0 50 FJAA CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1ccc(CN2CCCC2)s1 215325986 CVUOZAKGVFDUJJ-UHFFFAOYSA-N 374.941 4.506 0 50 FJAA 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 257349968 SXJDNUFKBLXQHF-QZKMNVBMSA-N 362.554 4.769 0 50 FJAA Fc1ccc2oc(CN3CCC(c4noc5cc(F)ccc45)CC3)nc2c1 329855499 UCMQLVBAUHEXGL-UHFFFAOYSA-N 369.371 4.627 0 50 FJAA Cc1cc(F)ccc1-c1cccc(C(=O)N(C)CC[C@H]2CCCCO2)c1 426574803 FCBCGIUMHOAHKN-HXUWFJFHSA-N 355.453 4.832 0 50 FJAA Cc1cccc(-c2ccccc2C(=O)N(C)CCN(C)C2CCCC2)c1 952982836 MVQQQUAGQNAYSG-UHFFFAOYSA-N 350.506 4.608 0 50 FJAA CSc1sc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 1857800090 LGGXDBPRXJGLIP-UHFFFAOYSA-N 361.513 4.673 0 50 FJAA O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 632230 OLMXRSNADPRSBK-UHFFFAOYSA-N 373.861 4.720 0 50 FJAA CCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 636753 HXUBVIRZIHAOIB-UHFFFAOYSA-N 373.452 4.901 0 50 FJAA CC(=O)N[C@@H](c1ccccc1Cl)c1c(OC(C)=O)ccc2ccccc12 856062 CEGUJPBPRPPKPV-NRFANRHFSA-N 367.832 4.644 0 50 FJAA O=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 1036909 GQDAITKFYYUAJN-UHFFFAOYSA-N 370.044 4.856 0 50 FJAA Cc1c(OCc2ccc(F)cc2Cl)ccc2c3c(c(=O)oc12)CCC3 1162382 XYNRBDHIWSLCDM-UHFFFAOYSA-N 358.796 4.962 0 50 FJAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2848105 LEAWOFMQVYXINN-MRXNPFEDSA-N 363.413 4.894 0 50 FJAA O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 4685901 XZQOYSAOYZMONC-AWEZNQCLSA-N 372.635 4.593 0 50 FJAA CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 5067896 LSORLZSCRDHFNQ-UHFFFAOYSA-N 364.832 4.869 0 50 FJAA CCSc1ccccc1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C 9764029 FRXPXNRELICXCF-UHFFFAOYSA-N 366.490 4.557 0 50 FJAA O=C1CC[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]2N1CC1CCCCC1 14879598 IUEIEECHOAINLV-CTNGQTDRSA-N 374.956 4.733 0 50 FJAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@@H]23)cc(OC)c1OC 16626826 AQBBFSKOSSOTID-ONGXBYRLSA-N 369.461 4.655 0 50 FJAA CCn1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 20616547 YCAPIKDVQCLOTP-UHFFFAOYSA-N 357.282 4.738 0 50 FJAA Oc1cccc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c1 65451737 QFCGFXJAQALJSN-UHFFFAOYSA-N 368.396 4.507 0 50 FJAA Cc1ccccc1Oc1ncccc1CNc1nccc(C(F)(F)F)n1 67982643 ZOODBEORHNOYRL-UHFFFAOYSA-N 360.339 4.603 0 50 FJAA Cc1cncnc1C1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 216306008 CNKXGXTVZLHUGY-UHFFFAOYSA-N 351.425 4.564 0 50 FJAA Cc1cc(Oc2ccccn2)nc(-c2ncc(C(F)(F)F)cc2Cl)n1 263639639 BNWIHZOOXNOATM-UHFFFAOYSA-N 366.730 4.707 0 50 FJAA CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(Cl)c2C)c1 426479074 WTTOXWVQUPEUMM-GOSISDBHSA-N 357.881 4.957 0 50 FJAA CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc2sncc12 1875354127 AMNQRPDCDOKUCD-UHFFFAOYSA-N 351.258 4.875 0 50 FJAA O=C(Nc1cc(Cl)ccc1Cl)C(O)(c1ccccc1)c1ccccc1 842501 FXLAZBPAUHHFSX-UHFFFAOYSA-N 372.251 4.868 0 50 FJAA CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 1056912 LSNUGLGDJJMJPJ-UHFFFAOYSA-N 369.851 4.533 0 50 FJAA COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccnc1 1079316 KJTXBFFDLUUYKP-UHFFFAOYSA-N 361.426 4.619 0 50 FJAA O=C(NCCc1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 1111430 DMGZBPFGJJFPBP-UHFFFAOYSA-N 359.347 4.938 0 50 FJAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3ccccc23)c1 1172147 XBGYVFIBLNWLSO-UHFFFAOYSA-N 364.470 4.754 0 50 FJAA COC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 2500272 GSLOHCLGVKKCAQ-UHFFFAOYSA-N 354.431 4.657 0 50 FJAA O=C(Nc1nccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 2868119 ZEYRQNUUXMNJSL-UHFFFAOYSA-N 366.833 4.659 0 50 FJAA COc1ccccc1OCCOC(=O)Nc1ccc(Cl)c(Cl)c1 2983235 BQQFTNOSXWBOQN-UHFFFAOYSA-N 356.205 4.630 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1cccc(Cl)c1Cl 2985953 WLEBRQKINMLNOS-UHFFFAOYSA-N 371.260 4.785 0 50 FJAA Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(C)C3=O 4838653 TYDBLDUTMSHLIJ-HXUWFJFHSA-N 361.441 4.708 0 50 FJAA BrC=C=CCN(CC=C=CBr)Cc1ccccc1 55027856 RZSSZVCKPRQWTC-UHFFFAOYSA-N 369.100 4.616 0 50 FJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1Cc1cc(-c2ccco2)on1 67886532 GPGUTQRLHVQFAV-UHFFFAOYSA-N 371.400 4.545 0 50 FJAA CCOC(=O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F 91696024 QVEIXIQUFIKUNE-UHFFFAOYSA-N 363.129 4.905 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)CCSc3ccccc3)oc2c1 91907439 NHJOCUXEYIUAQK-UHFFFAOYSA-N 355.459 4.614 0 50 FJAA Cc1noc(-c2ccccc2)c1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 122665286 PQFVXNDXCGOWLP-LBPRGKRZSA-N 374.799 4.849 0 50 FJAA CCn1cc(CC(=O)Nc2ccc(C)c(-c3ncco3)c2)c2ccccc21 127997084 DVVGSHIKSDXZKE-UHFFFAOYSA-N 359.429 4.806 0 50 FJAA C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3noc4c3CCCC4)c2)C1 170598123 SSJYDXWUSXTEBX-MAUKXSAKSA-N 368.477 4.901 0 50 FJAA CC[C@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1ccccc1 229497284 LPNCOWSARQBFKP-QAPCUYQASA-N 357.523 4.507 0 50 FJAA COc1ccccc1C1CC(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 1875260541 BOUXMFSUXHQGIR-UHFFFAOYSA-N 364.420 4.505 0 50 FJAA COc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 661459 YFFVQYYVPIOZFR-UHFFFAOYSA-N 365.816 4.832 0 50 FJAA COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1sccc1C 784158 ODIWJZOIYDDAQX-LJQANCHMSA-N 350.443 4.836 0 50 FJAA Cc1ccc(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1C 991900 GZHVUBJAYVAMBQ-UHFFFAOYSA-N 374.436 4.922 0 50 FJAA Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1C 992980 JCUHZYAZIWTHJQ-UHFFFAOYSA-N 359.425 4.817 0 50 FJAA Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2)c1 1112187 UYIPWZJUGSFNMT-UHFFFAOYSA-N 364.420 4.764 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1Cl 1170083 OJPSRIIOIWIZJY-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1C 1175966 PGUDFIVTDJEXJL-UHFFFAOYSA-N 351.233 4.578 0 50 FJAA O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccccc1 1198788 BLDCSXVURSRSQP-QFIPXVFZSA-N 369.399 4.966 0 50 FJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1 2284612 KGMOFGFMFGPARJ-ZDUSSCGKSA-N 356.426 4.863 0 50 FJAA CC(C)(C)[C@@H]1CCc2c(C(=O)Nc3nnc(C4CC4)s3)csc2C1 2754946 CXPNNXBQEUTVCA-LLVKDONJSA-N 361.536 4.880 0 50 FJAA COc1ccccc1NC(=O)c1c(N)sc2c1CC[C@@H](C(C)(C)C)C2 5902173 MRGLRACKDOIYEM-GFCCVEGCSA-N 358.507 4.742 0 50 FJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1cccc(F)c1 13331522 XKCDYOCKDIPBEG-UHFFFAOYSA-N 372.831 4.985 0 50 FJAA CCc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 15011166 TVOFUSLHJJRQJZ-RGEXLXHISA-N 367.470 4.673 0 50 FJAA Cc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)c(C)c2c1 28292914 DKNBTAPJKNEOKV-QGZVFWFLSA-N 368.502 4.678 0 50 FJAA C[C@H](CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1 65394218 CCHFKEPJJFDZIG-QGZVFWFLSA-N 367.518 4.562 0 50 FJAA CCc1ccc2c(CN(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc(=O)oc2c1 252458638 YNOZRLSDBVLPBF-KUHUBIRLSA-N 351.446 4.704 0 50 FJAA CC(C)n1ccc2c(OCC(=O)Nc3ccc(F)c(F)c3F)cccc21 252489340 JOMIQNGEROAZLB-UHFFFAOYSA-N 362.351 4.657 0 50 FJAA C[Si](C)(C)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@@]23C[C@@H]1C=C2[C@H]1CC[C@H]3C1 257356508 IPPGWCQMHJIQOR-FDVDERPLSA-N 372.606 4.914 0 50 FJAA Cc1cc(=O)c(-c2noc(/C=C/[C@@]3(C)CC[C@H](C)C3(C)C)n2)c2n1CCC2 333854835 OHWVULYMJWRDKJ-WLIAABOZSA-N 367.493 4.629 0 50 FJAA C[C@H]1CCCCN1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)C1 426573340 XNPWYUNDMVUINS-KRWDZBQOSA-N 373.500 4.534 0 50 FJAA CN(Cc1ccc2ncccc2c1)Cc1ccc(CN2CCCCC2)s1 952985702 DEMZSHOAKSXEMD-UHFFFAOYSA-N 365.546 4.914 0 50 FJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Nc1c(Cl)cccc1Cl)C2 1704344098 JXPFUFCBMFFLLT-PBHICJAKSA-N 357.281 4.806 0 50 FJAA O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 1058632 JZKUDCSNLYDJKF-UHFFFAOYSA-N 365.408 4.605 0 50 FJAA COc1cccc(C(=O)Oc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c1 1159219 FQLHPVHJVAUOTC-UHFFFAOYSA-N 368.385 4.534 0 50 FJAA biogenic COc1ccc(OCCCOc2ccc(C)cc2Br)cc1 2985246 LOGZCADCRNVOIL-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA CCCCN1CCN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)CC1 3899197 XSZKJVXMIROOMV-UHFFFAOYSA-N 360.505 4.527 0 50 FJAA Cc1cccc(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)c1 9012580 GBRDRHOPOQXEFU-UHFFFAOYSA-N 352.459 4.916 0 50 FJAA CC(=O)c1cccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1 12049526 KDFXHEYHXDZHDQ-IBGZPJMESA-N 355.865 4.638 0 50 FJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(Cc2ccccn2)C1 15078297 FBLGFDAEMRSPSU-FQEVSTJZSA-N 374.459 4.983 0 50 FJAA CCc1c(C)sc2[nH]c(=S)n(Cc3ccc(Cl)cc3)c(=O)c12 17072826 BNRCYWFPUIQGDM-UHFFFAOYSA-N 350.896 4.693 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccccc1F)C2 55107966 GSQNKRJTZZSLDV-UHFFFAOYSA-N 355.434 4.654 0 50 FJAA CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](O)c2cccnc2)o1 65384652 FYJXMHYYUKQOHG-IBGZPJMESA-N 359.429 4.501 0 50 FJAA O=C(c1ccc(-c2ccc(O)cc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71415865 CSLMGPKDGIFEBU-LJQANCHMSA-N 372.468 4.864 0 50 FJAA CC[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCO1 72475518 ZWJNCAQCHIZGLF-MRXNPFEDSA-N 368.864 4.739 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N(C)C2CCOCC2)cc1 96151438 CXTLAXBAXGQRMV-UHFFFAOYSA-N 370.518 4.930 0 50 FJAA CC[Si](CC)(CC)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816497 GMVREEZRFGRLMH-UHFFFAOYSA-N 374.676 4.744 0 50 FJAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC[C@H]1c1ccccn1 221374169 MIFVYTNCKJENRI-FQEVSTJZSA-N 369.896 4.703 0 50 FJAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 239274763 AQYWHUJCPVLQLO-XTKIHQQCSA-N 371.524 5.414 0 50 FJAA Cc1nc(C(=O)Nc2ccc3ccccc3c2)nn1-c1cccc(Cl)c1 252494729 OCWOEIVGFLWUBZ-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA CCCc1cc(-c2ccc(C(=O)N(C)Cc3ccsc3)cc2)nc(C)n1 534667015 VVLGWSYOVUXPJB-UHFFFAOYSA-N 365.502 4.738 0 50 FJAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)Cc1cccc2cc[nH]c12 2325738344 IRYVBXAGCCNEGR-UHFFFAOYSA-N 362.452 4.742 0 50 FJAA O=C(C[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 868796 QWDFOVGGIOSCRM-IBGZPJMESA-N 374.458 4.675 0 50 FJAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1cccs1 954874 VPNLQGVNVIVIQW-UHFFFAOYSA-N 360.818 4.606 0 50 FJAA aggregator OCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1113091 MIHZZVNEBPGPPK-UHFFFAOYSA-N 362.050 4.827 0 50 FJAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Cl)cc1 1145521 BICSRMLILSQIIR-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc(Cl)c1 1146484 KXVKJJRMRXDIQA-UHFFFAOYSA-N 356.853 4.655 0 50 FJAA Cc1ccc(C)c(OCc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 2844210 ZTWBYNFRNDYUMF-UHFFFAOYSA-N 352.455 4.715 0 50 FJAA Cc1ccccc1CSCC(=O)NCCSc1ccc(Cl)cc1 2983845 IDPNQKVABQQPSC-UHFFFAOYSA-N 365.951 4.790 0 50 FJAA C[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3Cl)nc2O1 4881894 XMPPPULSBWTDFF-NSHDSACASA-N 370.865 4.635 0 50 FJAA CC[C@@H](C)C(=O)N1CCC[C@H](c2nc(C)ncc2-c2cccc(C)c2)C1 11966984 UQUACJGWXYKDOC-APWZRJJASA-N 351.494 4.513 0 50 FJAA COCCN(Cc1nc(-c2ccc(OC)c3ccccc23)oc1C)C(C)C 12298047 YGHZVEJIPVJRBB-UHFFFAOYSA-N 368.477 4.669 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](Nc2ccccc2)C1 12319669 UYBRMBKWKDWIQQ-QGZVFWFLSA-N 353.491 4.788 0 50 FJAA Cc1ccc(CN2CCC(CN(C)Cc3cc4ccccc4o3)CC2)o1 12467998 OXYZHAXVXGJZIA-UHFFFAOYSA-N 352.478 4.678 0 50 FJAA C[C@@H]1CN(CCCCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 20168449 SGTHCPWGCBTTQS-RTBURBONSA-N 355.478 4.747 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3nccs3)oc2c1 91644266 QHKNLRVCCACVJL-HNNXBMFYSA-N 356.447 4.574 0 50 FJAA Cc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)c(C)c2c1 91769018 BOVCSTMTMNACAM-UHFFFAOYSA-N 362.473 4.606 0 50 FJAA CCc1nc(C)sc1CNC(=O)c1cccc(-c2cc(C)cc(C)n2)c1 299769279 WABAGGJLXZOPSB-UHFFFAOYSA-N 365.502 4.623 0 50 FJAA CCC[C@H](NC(=O)c1ccccc1Cc1ccc(C)cc1)c1nccn1C 299774853 JQOVXKGECYZTFT-NRFANRHFSA-N 361.489 4.591 0 50 FJAA O=C(Cc1ccccc1Cl)c1cn(CCCCCO)c2ccccc12 299817288 RFHPYWJZEUWQOM-UHFFFAOYSA-N 355.865 4.883 0 50 FJAA in-vitro COc1ccc(F)cc1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 426684476 MTCFXCZYRUECTC-LJQANCHMSA-N 371.452 4.533 0 50 FJAA O=C(c1scc2c1CCCC2)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1506407776 JYYBOPLJXLZEJZ-AWEZNQCLSA-N 365.502 4.523 0 50 FJAA CCn1c(SCc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 731781 GLUKWMUPHWKMDK-UHFFFAOYSA-N 374.506 4.788 0 50 FJAA COc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1 758867 NSVBWAUSPNLLPN-UHFFFAOYSA-N 360.457 4.973 0 50 FJAA O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1ccccc1 1049386 POKJRWRZEXDOPL-UHFFFAOYSA-N 374.484 4.721 0 50 FJAA O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1 1140719 NIQPMPHUGKTQRB-UHFFFAOYSA-N 362.120 4.859 0 50 FJAA COc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1Cl 1220825 ICTZFGBKSUDRHV-UHFFFAOYSA-N 354.233 4.636 0 50 FJAA CCCCOCCCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F 2172420 VMPLSRGGZFMANA-UHFFFAOYSA-N 352.784 4.687 0 50 FJAA COCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3Cl)cc12 2268695 NDHGRJAMGDOYSM-UHFFFAOYSA-N 374.820 4.777 0 50 FJAA biogenic Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1C 2992886 NMWAJZZHFBFYPW-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA CCOC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 4990197 JPSXRMCIHYDRCI-QGZVFWFLSA-N 373.880 4.907 0 50 FJAA CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5516405 VVPHVUDOLGVQNJ-UHFFFAOYSA-N 371.444 4.715 0 50 FJAA Cc1c(Cl)cccc1-n1c(S)nnc1Cc1c(F)cccc1Cl 6527130 OMPIVUZUQGXYJJ-UHFFFAOYSA-N 368.264 4.901 0 50 FJAA COc1ccccc1C(=O)Nc1cccc(-c2cnc3ccccc3n2)c1 6703655 FEYTVMLRTDCRMZ-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccoc2)c1 11661527 LBTWXRHSTKNUCF-QFIPXVFZSA-N 372.424 4.557 0 50 FJAA CC(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 14568229 LTAHLIZHUUSIEG-UHFFFAOYSA-N 350.462 4.688 0 50 FJAA c1cncc(CN(Cc2ccc(-n3cccn3)cc2)Cc2ccsc2)c1 55393708 MAVTTXPQPKJHRT-UHFFFAOYSA-N 360.486 4.531 0 50 FJAA CCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 77024175 UCTCCIPCJZKWEZ-UHFFFAOYSA-N 365.521 4.925 0 50 FJAA biogenic CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccccc2NC(=O)C(C)(C)C)C1 100626519 DSGVJZPKVYXGQJ-OYHNWAKOSA-N 356.510 4.712 0 50 FJAA C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)/C=C/c3cncc(F)c3)c2)C1 170621571 IBRYFCFLFLILDR-GAEUKRCFSA-N 368.452 4.968 0 50 FJAA O=C(c1ccccc1Oc1ccccc1)N1CCC2(CCOCC2)CC1 222500572 XEZLOABZCHFMIA-UHFFFAOYSA-N 351.446 4.512 0 50 FJAA C[C@H](CNC(=O)N1CCCSc2ccccc21)COCc1ccccc1 225515801 OOQBBWSOJPGERF-QGZVFWFLSA-N 370.518 4.551 0 50 FJAA CCc1ccccc1NC(=O)/C=C/c1ccc(OC)c(Br)c1 951599 UHJFLJNQIFAYRI-PKNBQFBNSA-N 360.251 4.672 0 50 FJAA CC(C)CN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2)C1=O 1179532 VDKXVRNTMPFBEQ-UNOMPAQXSA-N 367.470 4.958 0 50 FJAA COc1ccc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 1216969 MDYHMYMKJFKSBG-UHFFFAOYSA-N 355.290 4.531 0 50 FJAA CCCOc1ccc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 1903591 RAAVZRXOHOXVNJ-UHFFFAOYSA-N 368.458 4.860 0 50 FJAA O=C(C[C@H]1CCc2ccccc21)N1CCC(c2nc3ccccc3o2)CC1 4742548 ISCHQJCLGXIKMG-GOSISDBHSA-N 360.457 4.654 0 50 FJAA CCCCOc1ccc(-c2n[nH]c(SCc3ccc(OC)cc3)n2)cc1 6359664 CCSYFCGDHJLMMZ-UHFFFAOYSA-N 369.490 4.952 0 50 FJAA CCCCN(C)C(=O)c1sc2ncnc(NCc3cccs3)c2c1C 12457163 HSOXGAIOPWKWAJ-UHFFFAOYSA-N 374.535 4.545 0 50 FJAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCc2onc(-c3ccccc3)c2C1 67713932 DTUYHXKJCPXLMU-UHFFFAOYSA-N 369.424 4.535 0 50 FJAA Cc1nc2ccc(NC(=S)N3C[C@H]4C[C@H]3CC(C)(C)[C@@H]4C)cc2nc1C 100614649 NBZMZGGJASLWMS-VMGRFDJRSA-N 368.550 4.700 0 50 FJAA CN(C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCc2ccccc21 179508640 JZFIESKIOOOOJI-MRXNPFEDSA-N 356.376 4.652 0 50 FJAA c1ccc2[nH]c([C@@H]3CCCN3Cc3cnc(C4CCCCC4)nc3)nc2c1 215604160 HCKSXGVQQVYNJD-FQEVSTJZSA-N 361.493 4.738 0 50 FJAA CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 225718309 LKXMJGUUXCQEAY-QGZVFWFLSA-N 374.506 4.540 0 50 FJAA COc1ccc(CN(C)Cc2cc(C3CCCCC3)no2)c2cccnc12 1506409731 SIDWTLFTWLZVHO-UHFFFAOYSA-N 365.477 4.911 0 50 FJAA CSc1ccc2cc(CN(C)[C@@H](C)c3nc(C)sc3C)c(O)nc2c1 1506418391 XKAOJZZFOIDXFQ-NSHDSACASA-N 373.547 4.929 0 50 FJAA Brc1ccccc1OCc1nnc(CCC2CCCCC2)o1 1875343536 MLMUCKZJIJHYSU-UHFFFAOYSA-N 365.271 4.924 0 50 FJAA Cc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 947010 VCAYOMUTHDWTGO-UHFFFAOYSA-N 352.459 4.753 0 50 FJAA CC[C@H](C)NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 987106 RKXASYGJLKILOC-KRWDZBQOSA-N 364.489 4.665 0 50 FJAA biogenic O=c1oc2ccccc2cc1-c1nnc(Nc2ccccc2Cl)s1 1183650 UMZCCJIUGXKCKF-UHFFFAOYSA-N 355.806 4.709 0 50 FJAA O=C(C(=O)N1CCc2ccccc21)c1c(-c2ccccc2)[nH]c2ccccc12 2504195 QVXUEFCYFDDOIW-UHFFFAOYSA-N 366.420 4.607 0 50 FJAA Cc1cc(C)c(OCCCCN2CCC[C@H](C)C2)c(Br)c1 2823980 URQBIGPVUPCUIG-AWEZNQCLSA-N 354.332 4.957 0 50 FJAA COc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2848323 FBRSWUWWUOFWJP-JTQLQIEISA-N 373.758 4.773 0 50 FJAA COc1ccccc1OCCCOc1ccc(Br)cc1Cl 2983633 ZGEBKMBROMONAY-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA Cc1cc(C)c(C(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)o1 12712419 HOCVJGBYFJYMMP-SFHVURJKSA-N 363.461 4.506 0 50 FJAA O=C(NCCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 13320534 IOWDXIXKNWYIIF-UHFFFAOYSA-N 360.738 4.862 0 50 FJAA Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(C)s1 119774013 COBDKJFFNYQEOH-LJQANCHMSA-N 353.491 4.538 0 50 FJAA CC(C)N(C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCCCO2 154882155 NUTUOJFATARWAF-SFHVURJKSA-N 368.521 4.539 0 50 FJAA COC(=O)[C@@H]1N=NC(c2ccccc2)(c2ccccc2)[C@H]1[Si](C)(C)C 169828955 IQDSRHZDQLTFDS-MSOLQXFVSA-N 352.510 4.646 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1F)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 245255060 FGRICAIZIHIJBY-RKJZQPHBSA-N 355.384 4.960 0 50 FJAA COc1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CCC[C@H]2OC)C1 1704343470 CFRCDWKBJKGZFX-AEFFLSMTSA-N 358.309 4.783 0 50 FJAA CC(C)(CNC(=O)c1ccc(Cl)cc1)c1coc(-c2ccccc2)n1 1875316322 IUGVBWPZYQMXGM-UHFFFAOYSA-N 354.837 4.703 0 50 FJAA O=C(N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1cc2ccccc2nc1O 1875341584 YQFFLJWLUJHEBB-QAPCUYQASA-N 364.420 4.536 0 50 FJAA CCCc1ccc(OCc2ccc(C(=O)Nc3nccs3)cc2)cc1 659227 BKWUZDJSONOOTI-UHFFFAOYSA-N 352.459 4.927 0 50 FJAA C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 1115693 MVRUQLNKRCQISG-JTQLQIEISA-N 358.652 4.903 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 1206157 RWQAKQSMGDKQIX-UHFFFAOYSA-N 360.438 4.850 0 50 FJAA Cc1cc(NC(=O)c2ccc(F)cc2)n(Cc2cccc3ccccc23)n1 1429207 SOWFHHQTOJOOKU-UHFFFAOYSA-N 359.404 4.784 0 50 FJAA O=C(O)CCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 2386097 FRPYXTFBPCYALT-UHFFFAOYSA-N 367.445 4.560 0 50 FJAA in-vitro COC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 2981919 OVXYOBARMMTJGW-UHFFFAOYSA-N 355.777 4.639 0 50 FJAA O=S(=O)(Oc1cccc2cccnc12)c1ccc(Cl)c2ccccc12 2982014 KCEPDZSPUDDDHE-UHFFFAOYSA-N 369.829 4.809 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)cc1 4854152 CYHQCUBKDGXDQN-ICSRJNTNSA-N 356.853 4.874 0 50 FJAA COc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl 10332813 FCOCKRHKFINGLA-UHFFFAOYSA-N 358.869 4.587 0 50 FJAA Fc1ccc(N[C@@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)cc1 12431298 FIYVOBYGADRCGZ-QGZVFWFLSA-N 350.384 4.504 0 50 FJAA COc1ccc(N(C(=O)c2coc(-c3ccccc3)n2)[C@@H](C)C2CC2)cc1 118950974 QZUAEOGQCVNGJU-HNNXBMFYSA-N 362.429 4.796 0 50 FJAA Cc1cccc(OC(F)F)c1NC(=O)c1oc(-c2ccccc2)nc1C 174229339 MKQZAQUMLPYRME-UHFFFAOYSA-N 358.344 4.812 0 50 FJAA Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccccc1Cn1ccnc1 268780526 TYXBNRWCLGRLAY-HNNXBMFYSA-N 368.550 4.845 0 50 FJAA COC1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 299772588 CQJRGWSIBGUVIX-UHFFFAOYSA-N 360.841 4.775 0 50 FJAA COCCN(CC1CC1)C(=O)c1ccc(-c2cccc(Cl)c2C)cc1 426408961 PKYDPJQABCXSOI-UHFFFAOYSA-N 357.881 4.814 0 50 FJAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1C 952990030 JWNXHJVXZUABEF-IBGZPJMESA-N 367.493 4.598 0 50 FJAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1ccc(-c2cc[nH]n2)cc1 1506407856 KHMGSXZPMACGTE-QHCPKHFHSA-N 359.473 4.517 0 50 FJAA CC(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1NCC(F)(F)F 1875357680 QVQZVIIBIRGIAE-JSGCOSHPSA-N 362.823 4.869 0 50 FJAA C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)c1ccc(Oc2ccccc2)cc1 2325737900 WOJOJSCHIHAZOL-SNQZOLJRSA-N 373.408 4.702 0 50 FJAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1C[C@@H]2CCCCC[C@H]21 2325747190 IYLMZDAXBGVLJO-HTAPYJJXSA-N 357.457 4.702 0 50 FJAA CCn1c([C@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 860983 DIFSINDAVHOPFU-JOCHJYFZSA-N 358.441 4.717 0 50 FJAA O=C(CCC(=O)OCc1cccc(Cl)c1)Nc1cccc2ccccc12 1116912 YEQOOGYOERSMPX-UHFFFAOYSA-N 367.832 4.955 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1 2982441 XOURLEHGQXOUQS-UHFFFAOYSA-N 350.399 4.817 0 50 FJAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(c1ccccc1)c1ccccc1 3622386 DERGOIQEITWKQF-NRFANRHFSA-N 371.484 4.809 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1Cl 4424288 AEFPZQBBRMHMLF-SDNWHVSQSA-N 374.827 4.915 0 50 FJAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)O)C1 4701030 AAWDEJQNVLORHR-SNVBAGLBSA-N 363.504 4.911 0 50 FJAA Cc1nc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cs1 4810610 DKFNEKXWRXVLSC-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA CCOc1ccc(C(=O)[C@@H](CN2CCCCCC2)c2ccccc2)cc1 5718693 FJJMGJUYIRDJOQ-QFIPXVFZSA-N 351.490 4.928 0 50 FJAA CCn1c2ccccc2c2cc(CN3CCC[C@H](c4cc[nH]n4)C3)ccc21 39360380 ZSMVZTYIAKWUSE-SFHVURJKSA-N 358.489 4.917 0 50 FJAA CCn1cc(Cn2cnc(-c3ccccc3)c2-c2ccc(C(C)=O)cc2)cn1 65417665 JMYQOOBEJGDSPW-UHFFFAOYSA-N 370.456 4.684 0 50 FJAA CC(=O)N1CCCC[C@@H]1c1nc(Cc2cccs2)nn1C1CCCCC1 96141823 ILXJOPHGHHBEDJ-GOSISDBHSA-N 372.538 4.509 0 50 FJAA C[C@H](N(C)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)C1(C)CC1 176026291 HYVDTCCQPMZQMV-NSHDSACASA-N 374.872 4.920 0 50 FJAA Cc1cc([C@H]2CCCCN2Cc2cccc(OCc3ccccn3)c2)no1 216537733 VSJDHBRWSXJDEF-JOCHJYFZSA-N 363.461 4.684 0 50 FJAA CCC[C@@H](C)c1n[nH]c2c1CN(Cc1ccc([C@H]3CCCCO3)o1)CC2 244724738 MZUGPDVKLYDSDC-DNVCBOLYSA-N 357.498 4.706 0 50 FJAA C[C@H](Cc1nnc(SCc2csc(Cl)n2)o1)c1ccccc1 253425399 ATWGXEVKUGUXFE-SNVBAGLBSA-N 351.884 4.818 0 50 FJAA Cc1ccc2c(C(=O)Nc3ccc(N4C(=O)CC[C@@H]4C)cc3)cc(C)nc2c1 952965636 SLOXMJVHUXYYHD-INIZCTEOSA-N 373.456 4.619 0 50 FJAA Cc1cc(Br)ccc1CC(=O)Nc1cccc(OC(F)F)c1 1357146613 IYFKWDFDNXEDAZ-UHFFFAOYSA-N 370.193 4.540 0 50 FJAA CC(C)(O)c1cccc(NC(=O)Nc2csnc2-c2ccccc2)c1 1466870230 XZFONTZZPJSKFU-UHFFFAOYSA-N 353.447 4.682 0 50 FJAA C[C@H](c1ccccc1Cl)N(C)C[C@H](O)c1ccccc1Br 1473112299 KBTZCALXFSYBSU-PXAZEXFGSA-N 368.702 4.829 0 50 FJAA CC=CC[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)C1 1857528083 VNROJHYRGSQXOZ-HNNXBMFYSA-N 356.491 4.687 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)C[C@H](C2CC2)O1 1857738765 XUSBUNXXEFRKAR-VQIMIIECSA-N 374.912 4.940 0 50 FJAA CN1Cc2ccccc2[C@@H]1CNCc1cc(Br)ccc1C1CC1 1875344158 GIZJCRBRBXOOJB-FQEVSTJZSA-N 371.322 4.603 0 50 FJAA Cn1c(SCc2ccccc2Br)nnc1-c1ccccc1 1143370 OHAYRBJANLQBER-UHFFFAOYSA-N 360.280 4.537 0 50 FJAA CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)c1ccccc1 1182691 GDJYVICJWWFXRY-UHFFFAOYSA-N 365.820 4.560 0 50 FJAA COc1cccc(-c2cc(C(=O)O)c3cc(Br)cc(C)c3n2)c1 2877125 XFXPGWDLMFGNPW-UHFFFAOYSA-N 372.218 4.680 0 50 FJAA CCOC(=O)c1cc(CC)sc1NC(=O)c1oc2ccccc2c1C 6708370 RZOITKLNZXREMO-UHFFFAOYSA-N 357.431 4.794 0 50 FJAA Cc1cc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)oc1C 12763922 JEVXKMNVAIWXRQ-JOCHJYFZSA-N 374.569 4.532 0 50 FJAA CCc1nc(C)c(CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)[nH]1 14981947 WTUXVLVPCIGHQB-HXUWFJFHSA-N 367.518 4.786 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 15078044 ODSUTFDTVRYVDY-INIZCTEOSA-N 352.865 4.916 0 50 FJAA Fc1cccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 19831760 DMIOTDCQXWUBFN-UHFFFAOYSA-N 352.497 4.670 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(Cc2cccs2)C1 20776152 ZKGLCGRMRGEAMN-ZDUSSCGKSA-N 359.445 4.796 0 50 FJAA O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCSCC1 72145601 MUOPUYPCGKIXQG-UHFFFAOYSA-N 356.878 4.677 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)NCc1csc(Cc2ccccc2)n1 91441067 XXGPYYNBCOOETB-UHFFFAOYSA-N 371.531 4.552 0 50 FJAA Cc1cc(O)ccc1C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 134378577 HBKLMYOGPJAFIQ-AWEZNQCLSA-N 366.392 4.518 0 50 FJAA CCCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 256016219 ZPAOSKLOFZWBLS-OFNKIYASSA-N 364.533 4.773 0 50 FJAA in-vitro CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCCC1)C[C@@H]3O 2084329491 QYTWXTDWXNMJCJ-INIZCTEOSA-N 356.462 4.963 0 50 FJAA COc1cccc(-c2ncc(C(=O)N3CCCCC34CCCC4)s2)c1 2325828284 CUIGWYMQEAYBQU-UHFFFAOYSA-N 356.491 4.758 0 50 FJAA CC(C)(C[C@@]1(C)OC(=O)N(CCc2ccccc2)[C@@]1(C)O)c1ccccc1 1430567 YJHBCMPHAAFJDH-PKTZIBPZSA-N 367.489 4.516 0 50 FJAA O=C1N(Nc2ccccc2)[C@H](c2ccc(Br)cc2)C12CCCC2 2393799 KPHMGMVKIODVRX-QGZVFWFLSA-N 371.278 4.920 0 50 FJAA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(C)c1 2880229 WJADXULCQTVXDP-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)OCc2ccccc2)cc1 4893884 JTSZAMYGJMCTSY-JWGURIENSA-N 371.436 4.509 0 50 FJAA Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)c(C)c2)cc1 4964773 GOODROCPCGMIJL-STZFKDTASA-N 374.440 4.614 0 50 FJAA Cc1cc(=O)oc2c1ccc1oc([C@H](O)c3ccc(Cl)cc3)c(C)c12 5106977 ZJZFTKCZMIHTIQ-GOSISDBHSA-N 354.789 4.891 0 50 FJAA O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1 5736721 OUJRXYXGQNYYFG-XNTDXEJSSA-N 374.259 4.686 0 50 FJAA COc1cccc2c1O[C@H](c1ccccc1)N1N=C(c3ccccc3)C[C@@H]21 12193236 BTTJNNGGFUWDFS-NZQKXSOJSA-N 356.425 4.938 0 50 FJAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1 12447888 BMRORUHUCQOEFF-NRFANRHFSA-N 360.505 4.732 0 50 FJAA CCN(Cc1ccccc1-c1nc(C)c(C)c(=O)[nH]1)C1CCCCCC1 63856610 LDTZJRKAYMOVDS-UHFFFAOYSA-N 353.510 4.598 0 50 FJAA Cc1ncc(C(C)C)c(-c2cccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)n1 534649902 IHYWYQOYAQUJIE-BGYRXZFFSA-N 361.489 4.614 0 50 FJAA CC[C@@H](Nc1cc(Nc2ccccc2)ncn1)c1cccc(OC)c1OC 2325839908 JHVRXVCOWVICBM-QGZVFWFLSA-N 364.449 4.801 0 50 FJAA COc1cc2c(cc1NC(=O)c1ccccc1Br)CCCC2 979766 CIPPZIFUQRZTLQ-UHFFFAOYSA-N 360.251 4.589 0 50 FJAA COc1ccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 987270 HAGSZGQKQLQBJZ-QFIPXVFZSA-N 360.409 4.785 0 50 FJAA Cc1ccc2[nH]c(C)c(CCNC(=O)c3cc(F)c(F)cc3Cl)c2c1 1074336 PEQURSLJHLEBIE-UHFFFAOYSA-N 362.807 4.689 0 50 FJAA biogenic,in-vitro CCc1cc2c(=O)c(-c3ccccc3Cl)c(C)oc2cc1OC(C)=O 1159877 NOONRFSDBXMAGT-UHFFFAOYSA-N 356.805 4.910 0 50 FJAA biogenic CCCCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2307210 UVBOGDYLJGZOBP-UHFFFAOYSA-N 359.520 4.983 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1ccc(C(C)(C)C)cc1 2985636 MJMRYDQPJRIBQM-UHFFFAOYSA-N 358.478 4.776 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl 2992934 WHLYZDLQPYUZQN-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA Nc1c(C(=O)c2ccccc2)sc2nccc(NCc3ccccc3)c12 3110276 KNXVFKDWHKUPNE-UHFFFAOYSA-N 359.454 4.722 0 50 FJAA Cc1nn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1Cl 3909544 YECLPJLBXOTETG-UHFFFAOYSA-N 352.747 4.618 0 50 FJAA CC(C)c1ccc(OC[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4176568 OFDQSJYJLALSON-DNBYOKIBSA-N 355.522 4.910 0 50 FJAA C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1 5752249 XGWIJUOSCAQSSV-XHDPSFHLSA-N 352.887 4.981 0 50 FJAA biogenic,in-vitro Fc1ccc(CSCc2nnc(S)n2-c2ccccc2)c(Cl)c1 6402961 ZTRLMDICWHIUAJ-UHFFFAOYSA-N 365.886 4.782 0 50 FJAA CC(C)c1cc(CN2CCC[C@H](C(=O)c3cccc4ccccc34)C2)n[nH]1 12302751 VCIYIPVUIWFZJH-SFHVURJKSA-N 361.489 4.781 0 50 FJAA CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 15009906 GXYQTEMTUCMLCH-BOPFTXTBSA-N 373.861 4.975 0 50 FJAA Cc1cc(CNC(=O)[C@H](C)n2ccnc2)c2[nH]c(-c3ccccc3)c(C)c2c1 71752724 NYPMDOLIOJKTJS-KRWDZBQOSA-N 372.472 4.526 0 50 FJAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 77374906 IBKZDCCYNHUUDH-FQEVSTJZSA-N 363.436 4.594 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)N1CCCC[C@@H]1c1nccs1 176251976 NYADGRCSLQJALZ-CYBMUJFWSA-N 355.385 4.921 0 50 FJAA C=CC(=O)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1F 176723888 KWUKCYVUZRCHHO-UHFFFAOYSA-N 368.339 4.602 0 50 FJAA CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3ccco3)c2)n1 220679381 IPQGJJOQOBDLDH-KRWDZBQOSA-N 365.433 4.820 0 50 FJAA Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1Cl 239339277 LXWFZMOMVNLPLZ-RWQQGDIJSA-N 355.865 4.664 0 50 FJAA Cc1cccc(N2CCC(N[C@@H](c3ccccn3)C(F)(F)F)CC2)c1C 952868323 JTZNJGLXRFBKNV-IBGZPJMESA-N 363.427 4.560 0 50 FJAA CC(C)Oc1ncc(Cl)cc1NC(=O)c1ccc(CC2CC2)s1 2325853531 SLKWWTFXYCLVNU-UHFFFAOYSA-N 350.871 4.789 0 50 FJAA Oc1c(-c2nc3c4c5c(sc4ncn3n2)CCCC5)ccc2ccccc12 659308 OBEDRCNNSKJUGW-UHFFFAOYSA-N 372.453 4.744 0 50 FJAA Cc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 917315 CQZQHHDZKXZQCT-UHFFFAOYSA-N 368.245 4.974 0 50 FJAA aggregator O=C(CCc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 946952 HMVPZJMRCPNSNP-UHFFFAOYSA-N 351.446 4.747 0 50 FJAA Cc1cc(C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)n2)c1 1113100 NRZNZFSOXBCGDQ-UHFFFAOYSA-N 373.456 4.820 0 50 FJAA COc1cc(NC(=O)c2cccc3ccccc23)ccc1NC(=O)C(C)C 1130557 XYTJZLPZCVWAKH-UHFFFAOYSA-N 362.429 4.695 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nnc(C2CC2)s1 2872882 DAWFPAONBMSBRZ-UHFFFAOYSA-N 372.277 4.520 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Cl 2970492 FUTWZFNIZWVWAX-UHFFFAOYSA-N 359.731 4.890 0 50 FJAA O=S(=O)(/C=C/c1ccccc1)Oc1ccc(OCc2ccccc2)cc1 3122867 AOPFHAGONPPDBQ-FOCLMDBBSA-N 366.438 4.645 0 50 FJAA CC(C)(C)c1ccc(-c2cc3[nH]c(Cc4ccccc4)cc(=O)n3n2)cc1 5857577 SQOKZTUSDZFXFX-UHFFFAOYSA-N 357.457 4.578 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9231024 YIRNXEMIESKMJA-UHFFFAOYSA-N 370.880 4.584 0 50 FJAA CC(C)c1nc([C@@H]2CC(=O)Nc3c2c(C(C)C)nn3-c2ccccc2)co1 65380375 MPRDCCJTYZGYOS-HNNXBMFYSA-N 364.449 4.581 0 50 FJAA CCn1cncc1Cn1cnc(-c2ccccc2)c1COCc1ccccc1 65527327 SGJMRNNVMDKWCG-UHFFFAOYSA-N 372.472 4.532 0 50 FJAA O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)C1CCCC1 849187679 FHWGMJSCNRHZBF-INIZCTEOSA-N 353.249 4.665 0 50 FJAA CC[C@@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)c1ccc(Cl)cc1 1472912059 ZZVFNTPVDZIUEL-MRXNPFEDSA-N 360.866 4.979 0 50 FJAA COc1cc(F)c([C@H](C)Nc2cc(-c3cccs3)ncn2)cc1OC 1875321822 WYJYVXWUHOUHJP-NSHDSACASA-N 359.426 4.535 0 50 FJAA O=C(O)c1ccc(Oc2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 912884 YZSJXZUWIZNQKG-UHFFFAOYSA-N 351.333 4.569 0 50 FJAA CC[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 1127720 HFGMSBAFULHLGN-JOCHJYFZSA-N 372.468 4.749 0 50 FJAA Fc1ccccc1Cn1cc(C(=S)N2CCCCC2)c2ccccc21 1128423 IXDUVAMRWHGIFI-UHFFFAOYSA-N 352.478 4.990 0 50 FJAA Cn1c(-c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2066998 CBDAHOSJHINJEF-UHFFFAOYSA-N 356.469 4.872 0 50 FJAA biogenic COc1ccc(-c2nc(Nc3ccccc3)s[n+]2-c2ccccc2)cc1 2686646 VLXHXUIVBOJLGD-UHFFFAOYSA-O 360.462 4.839 0 50 FJAA Cc1cc(OCc2ccc(F)cc2F)c2c3c(c(=O)oc2c1)CCCC3 2841076 DEPYOZRROSKZAQ-UHFFFAOYSA-N 356.368 4.837 0 50 FJAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc2ccccc2c1 4380976 HLNGTXVJYKEYLD-GMAHTHKFSA-N 356.469 4.596 0 50 FJAA CCCCC(=O)Nc1c(C(=O)OCC)sc2nc(C)c(Cl)c(C)c12 4694336 ZMCAELVBDKUBGV-UHFFFAOYSA-N 368.886 4.872 0 50 FJAA C[C@@H](O)CNCc1c(OCc2ccccc2Cl)ccc2ccccc12 8535043 MTQLEULVYDSOEA-OAHLLOKOSA-N 355.865 4.543 0 50 FJAA CC[C@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccccc1 20617583 ADZOYAQHOMJELN-LBPRGKRZSA-N 367.396 4.535 0 50 FJAA CC(=O)Oc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1 145573479 CRCAIGGBRZTTHL-UHFFFAOYSA-N 363.394 4.509 0 50 FJAA O=C(OCc1cc(-c2cccc(F)c2)on1)c1csc(-c2ccoc2)n1 225621162 KXVONJQCLGVSSY-UHFFFAOYSA-N 370.361 4.554 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2ccc3ccccc3c12 632554 LCBMDMMESQFWQS-UHFFFAOYSA-N 361.372 4.639 0 50 FJAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccoc1C 657196 KEFMWJTZKOEAMW-UHFFFAOYSA-N 355.415 4.664 0 50 FJAA CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccc(Cl)c1 1076957 SNQLXDYIJZVOTM-UHFFFAOYSA-N 359.882 4.919 0 50 FJAA COc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCCCC4)cc1 1165730 AJZMFVZHQXAGOB-UHFFFAOYSA-N 364.441 4.958 0 50 FJAA O=C(CSc1nc2ccccc2c2c1CCCC2)Nc1ccccc1F 1444260 NJDGDNRGZIGYNC-UHFFFAOYSA-N 366.461 4.984 0 50 FJAA Cc1ccc(C)c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 2666956 HPHQKALVYJEXJO-CQSZACIVSA-N 351.705 4.574 0 50 FJAA O=C(CCc1ccccc1)Nc1cccc(NC(=O)CCc2ccccc2)c1 2748835 BYELSZZXJNTBOR-UHFFFAOYSA-N 372.468 4.829 0 50 FJAA COc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 4842673 OAJPCWUQUAPYKO-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 5673482 AWMNRBIWNLOFTP-DENIHFKCSA-N 360.413 4.921 0 50 FJAA Cc1cccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c1 6738895 VTWGVJXWYZHFMU-UHFFFAOYSA-N 365.440 4.865 0 50 FJAA Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 12433692 DPRRJDBJYYVGCQ-IBGZPJMESA-N 367.880 4.552 0 50 FJAA O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1cccs1 22461593 PDGBGEATXUXFDN-UHFFFAOYSA-N 353.428 4.779 0 50 FJAA CCn1nc(C(C)C)cc1C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 91745820 OZZJNUKGNKEGBO-UHFFFAOYSA-N 361.489 4.966 0 50 FJAA COCc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCc3c(Cl)cccc32)o1 162880170 WZFNVTKAMRLYNC-ROUUACIJSA-N 374.868 4.613 0 50 FJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1c(F)cccc1Cl)N2 239403210 RQAYLZVUULMIHY-ZCUMGQRUSA-N 371.839 5.474 0 50 FJAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239403280 RRSLLQLMRWNJBR-OYQDBORRSA-N 358.696 5.135 0 50 FJAA aggregator CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc(O)c(Cl)c2)cc1 1446468987 YKQPFIHXFMIDKQ-UHFFFAOYSA-N 359.853 4.846 0 50 FJAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3cccs3)c2c1 1073942 XOBDBQKPPZREOB-UHFFFAOYSA-N 373.481 4.905 0 50 FJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 1116755 DVYYNSVOVWMRNO-UHFFFAOYSA-N 373.865 4.655 0 50 FJAA COc1ccc(-c2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2)cc1 1158656 JGZTUYOMPVPVRV-UHFFFAOYSA-N 363.413 4.632 0 50 FJAA COc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1 1165757 AEOMDKROXWOYBT-UHFFFAOYSA-N 354.255 4.752 0 50 FJAA O=C(C[C@H](c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1213802 MQMOGSZBSLJNSH-OAQYLSRUSA-N 368.429 4.614 0 50 FJAA Cc1ccc(CNC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 2558504 AWZQZWASYVJWOH-HNNXBMFYSA-N 356.535 4.720 0 50 FJAA O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 2743260 IPHXJVYRKKJIQP-UHFFFAOYSA-N 359.425 4.619 0 50 FJAA aggregator CC(C)C(=O)Nc1ccccc1C(=O)OCc1c(Cl)cccc1Cl 5013311 YBRDLMBYCIUMSZ-UHFFFAOYSA-N 366.244 4.945 0 50 FJAA O=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)[S@](=O)c1ccccc1 5769865 QDVKVCVAEINLGA-MBWOQUJGSA-N 374.676 4.733 0 50 FJAA CCCc1nc2ccccc2c(NC(=O)CNC2CCCCC2)c1CC 8462389 OAFLDHKISBAUSY-UHFFFAOYSA-N 353.510 4.611 0 50 FJAA CN(C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 12138249 QZRKEWLSWLXOKO-UHFFFAOYSA-N 364.832 4.869 0 50 FJAA Cc1ccccc1[C@@H](CC(=O)N(C)Cc1nccs1)c1ccccc1 12225331 MTLFEZRKJQCOLW-IBGZPJMESA-N 350.487 4.632 0 50 FJAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cc(C(C)C)[nH]n2)C1 12299669 GXBJBEBSBIMMHB-HNNXBMFYSA-N 359.901 4.590 0 50 FJAA C[C@H](NC(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 13306515 GWGHORCJADMCPA-HDICACEKSA-N 372.468 4.669 0 50 FJAA Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1 13330902 FKFHRBGKBQWLHT-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H]1CCCN(C)C1 71375997 QYDWKBCTLIGSNZ-GOSISDBHSA-N 354.519 4.568 0 50 FJAA Brc1cc(-c2ccccc2)ccc1I 115616863 RWQLKZHFRDFSFA-UHFFFAOYSA-N 359.004 4.721 0 50 FJAA O=C1[C@H]2C[C@H](c3ccccc3)CC[C@H]2C(=O)N1c1cccc2ccccc12 169619073 FMPOWQSUNMGUMG-NRSPTQNISA-N 355.437 4.913 0 50 FJAA COC(=O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@@H]1C(=O)c1ccccc1 239432820 WNYHDIOZNFFNJJ-MXEMCNAFSA-N 352.474 4.965 0 50 FJAA biogenic COc1cc(CN[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OCc1c(C)noc1C 247922804 YHMSQQLGCFGBKM-BXTJHSDWSA-N 372.509 4.793 0 50 FJAA c1ccc2c3c([nH]c2c1)CCN(Cc1cc(CN2CCCCC2)cs1)C3 670438263 YXNXSULFPPFLRH-UHFFFAOYSA-N 365.546 4.774 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(Cl)c(Cl)c3)C1)CC2 1704299413 PFMODKZIVGNEEP-LJQANCHMSA-N 362.304 4.572 0 50 FJAA Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)ccc1Cl 676117 DRFVEXGQPUUUSW-LLVKDONJSA-N 368.658 4.817 0 50 FJAA S=c1[nH]nc(OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 954866 MMWBEQJSQNZWCH-UHFFFAOYSA-N 352.246 4.816 0 50 FJAA O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1ccc(Cl)cc1 1011838 UIRYFFPVPUCBPP-ZSOIEALJSA-N 366.225 4.940 0 50 FJAA O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCc2ccccc21 1073991 ZXZLDVUGEAPMQY-UHFFFAOYSA-N 374.223 4.693 0 50 FJAA COc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)c2ccccc12 1794443 KVRIVOALEWYWBY-UHFFFAOYSA-N 364.422 4.769 0 50 FJAA CCOc1ccc(-c2csc(NC(=O)C3CC3)c2C(=O)OC(C)C)cc1 2761019 YNTAKFJCAALHPN-UHFFFAOYSA-N 373.474 4.728 0 50 FJAA COc1c(C)cc(Br)cc1C(=O)Nc1ccc(F)c(Cl)c1 2861164 KIGSZUPAGHSIPY-UHFFFAOYSA-N 372.621 4.811 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 2959145 MEIIVRMFWZPECU-UHFFFAOYSA-N 365.351 4.915 0 50 FJAA COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 6182125 AZGZJIGRQLPADH-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA COC(=O)c1sccc1Oc1ccc(NC(=O)c2ccccc2)cc1 8887762 CXCYFZVKPLUGLD-UHFFFAOYSA-N 353.399 4.579 0 50 FJAA CC(C)c1cc(=O)[nH]c(-c2cccc(CN3CC[C@@H]3c3ccccc3)c2)n1 23541509 PYDTZKFAFYJVIZ-OAQYLSRUSA-N 359.473 4.507 0 50 FJAA COc1ccc(CN(Cc2ccccc2)Cc2nccs2)c(Cl)c1O 55369272 LACHPZDPYJTAPS-UHFFFAOYSA-N 374.893 4.713 0 50 FJAA C[C@H](c1cnn(C)c1)n1cnc(-c2ccccc2)c1COCc1ccccc1 65435172 LFDHZYUDGCCJNV-GOSISDBHSA-N 372.472 4.610 0 50 FJAA CN(Cc1ccc(Cl)cc1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767316 ZQOIKQVUMIPPEV-OAQYLSRUSA-N 362.860 4.866 0 50 FJAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N(Cc1ccsc1)C1CC1 82106658 MTPQIRWMHLDXPP-UHFFFAOYSA-N 373.481 4.868 0 50 FJAA Cc1ccc(N[C@@H](C)c2cn3ccccc3n2)cc1NC(=O)C(C)(C)C 225411226 GDIGCDTXXQQDBA-HNNXBMFYSA-N 350.466 4.800 0 50 FJAA CC(C)CCC[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 253417771 LEYGRWGTYAHSJG-GFCCVEGCSA-N 351.397 4.619 0 50 FJAA O=C1C[C@H](c2ccc(O)cc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263584918 CCWJFOLNQNWIOY-LJQANCHMSA-N 368.436 4.869 0 50 FJAA biogenic Cc1ccc(C)n1CCCCCC(=O)N1CCc2[nH]c3ccccc3c2C1 263586605 WBULTDRVENNVBN-UHFFFAOYSA-N 363.505 4.732 0 50 FJAA biogenic CCCCOc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 952991488 SPZFALZHUYHUNX-UHFFFAOYSA-N 366.461 4.553 0 50 FJAA C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 1875336605 CPQDCUNLQZNEBN-HXUWFJFHSA-N 352.821 4.567 0 50 FJAA Cc1cc(C)c([C@@H](N)C(=O)NCc2ccc(Oc3ccccc3)cc2)c(C)c1 1875343003 CFFYNTYZBVSFQA-HSZRJFAPSA-N 374.484 4.720 0 50 FJAA CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12 821034 SROXQGHPVIZZGJ-UHFFFAOYSA-N 366.896 4.951 0 50 FJAA CC(=O)Nc1ccc(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 1754093 WHLRMUBAHIMFLU-UHFFFAOYSA-N 372.730 4.928 0 50 FJAA Cc1ccc(-c2c(-c3nnc(S)n3C[C@H]3CCCO3)csc2C)cc1 6923690 JEAXMJBYWQFVGO-OAHLLOKOSA-N 371.531 4.758 0 50 FJAA CC(=O)c1cccc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 11879804 SUQWRZDCSHBFGR-QHCPKHFHSA-N 373.500 4.859 0 50 FJAA Cc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67886154 VZUAQDJGTXFRMM-QGZVFWFLSA-N 350.245 4.516 0 50 FJAA Cc1cccc(SC2CCN(c3ccnc(C(F)(F)F)n3)CC2)c1 91858034 DVBLPKWVKJZOKT-UHFFFAOYSA-N 353.413 4.565 0 50 FJAA O=C(COc1ccc(Cl)nc1)Nc1cc(Cl)c(Cl)cc1Cl 127291880 VLRBEMLWQWBUTM-UHFFFAOYSA-N 366.031 4.713 0 50 FJAA O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1cc(Cl)cs1 1472614912 HGLUNFHXLPWPSJ-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA CCSc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)on1 1857800877 YRMSJPPKEUMBNP-UHFFFAOYSA-N 354.431 4.715 0 50 FJAA CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 947468 CRBVRQRATUBLKL-OVCLIPMQSA-N 350.462 4.728 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 990692 OPLVUCABQYYYSV-MOPGFXCFSA-N 353.418 4.617 0 50 FJAA O=C(COC(=O)c1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1 1176081 FKIAHEAIDKJPDV-UHFFFAOYSA-N 350.801 4.632 0 50 FJAA O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2ccccc12 1176863 RUMCPAWKJWJSHE-UHFFFAOYSA-N 354.862 4.549 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 1216766 BXXKVPBNRBXRFH-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA COc1ccc(CNCC[C@H](c2ccco2)c2ccccc2OC)cc1 2106831 UNWNWIIYCPDJPJ-FQEVSTJZSA-N 351.446 4.609 0 50 FJAA biogenic Cc1ccc(-c2csc3ncn(Cc4ccccc4F)c(=O)c23)cc1 2837692 HBIIRDCPAKKWRV-UHFFFAOYSA-N 350.418 4.621 0 50 FJAA O=C(NCc1ccccn1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 2867713 QDDFYCHJIDEPJF-UHFFFAOYSA-N 373.843 4.880 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)ccc1F 4542195 AQBOVMPSCYNVDA-UHFFFAOYSA-N 362.120 4.859 0 50 FJAA Cc1oc(-c2ccco2)nc1CN1CCCC[C@@H]1CCc1ccccn1 12299592 VCGFOEXCZWOBJY-GOSISDBHSA-N 351.450 4.625 0 50 FJAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1cccnc1)C2 55035985 PXZVIASDFFRRQH-UHFFFAOYSA-N 366.486 4.522 0 50 FJAA Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)ccc2o1 91966221 COTNJJLZURRGIV-LJQANCHMSA-N 359.429 4.985 0 50 FJAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccco2)C1 100626508 ICITYUFDYDUMKE-OYHNWAKOSA-N 366.461 4.573 0 50 FJAA O=C(c1ccccc1Nc1ccccc1)N1CCC[C@@H](N2CCCC2)CC1 131236262 VJXCDAPVNKRSNB-HXUWFJFHSA-N 363.505 4.521 0 50 FJAA O=C(Cc1c[nH]c2ncccc12)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 156489049 PDQTYBXAAVUBHP-UHFFFAOYSA-N 374.271 4.603 0 50 FJAA Cc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)cc1 239425652 UXVYGIBJGVASFV-GGAORHGYSA-N 358.416 5.376 0 50 FJAA Cc1onc(-c2ccc(Oc3ccc(Br)cc3)cc2)c1C(=O)O 328578948 BATAJGLQVSLNOH-UHFFFAOYSA-N 374.190 4.903 0 50 FJAA in-vitro C[C@H]1C[C@H](c2cccnc2)N(c2nc(-c3ccncc3)nc3ccccc23)C1 754088852 VRFQISMUCTWNIV-HRAATJIYSA-N 367.456 4.674 0 50 FJAA Oc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1OC(F)(F)F 1772710778 SRIWNBQSRDYJFM-UHFFFAOYSA-N 351.368 4.944 0 50 FJAA CCc1ccc(-c2n[nH]c(SC[C@@](C)(OC)c3ccccc3)n2)cc1 1875278169 FXLFZYHGCMPSHT-HXUWFJFHSA-N 353.491 4.688 0 50 FJAA COc1ccc([C@@H](CC(C)C)NC[C@H](CO)Cc2ccccc2C)cc1 2325842184 QQYRAXINNZTDOV-AUSIDOKSSA-N 355.522 4.532 0 50 FJAA COc1cccnc1CSc1ccccc1C(=O)N[C@H]1CC[C@H](C)CC1 2325895291 SWSFZYCCFUZRAL-WKILWMFISA-N 370.518 4.691 0 50 FJAA Brc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1 831676 UZDNOSVJMUZODT-UHFFFAOYSA-N 350.285 4.957 0 50 FJAA O=C(Cc1c(F)cccc1Cl)N(Cc1ccccc1)c1ccccn1 1049056 NCGAPPGOQWZYDS-UHFFFAOYSA-N 354.812 4.650 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl 1119868 CHDVMFIGKGNZIZ-UHFFFAOYSA-N 360.841 4.586 0 50 FJAA O=C(NCCSc1ccc(Cl)cc1)c1cccc(Br)c1 2841728 HEIMUKPBHVJGIC-UHFFFAOYSA-N 370.699 4.625 0 50 FJAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2848104 LEAWOFMQVYXINN-INIZCTEOSA-N 363.413 4.894 0 50 FJAA CC1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1 2850282 QZIXVRHYNNAUNE-UHFFFAOYSA-N 358.869 4.594 0 50 FJAA CCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 2907115 QFHBCRWYGWHEFC-AQTBWJFISA-N 355.821 4.863 0 50 FJAA CC(C)c1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 2962999 LZTAGAIYZUPFLL-BOPFTXTBSA-N 370.246 4.917 0 50 FJAA FC(F)(F)c1cccc(NC(=S)NCCc2c[nH]c3ccccc23)c1 4561651 CJEVRMPHQPOZMO-UHFFFAOYSA-N 363.408 4.716 0 50 FJAA CCCC[C@@H](CC)C(=O)NCC(C)(C)CNC(=O)[C@H](CC)CCCC 4893773 KEPBYSCSYYGEIU-QZTJIDSGSA-N 354.579 4.678 0 50 FJAA CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl 7720306 IGMPNTUAWGXLFX-UHFFFAOYSA-N 369.852 4.831 0 50 FJAA CCOc1cc(CN[C@H](CC)c2ccnn2C)c(Cl)cc1OC(C)C 55325781 LKTWJTTWNUWBFA-MRXNPFEDSA-N 365.905 4.500 0 50 FJAA CCOP(=O)(OCC)[C@H](C[Si](C)(C)C)C(=O)OC(C)(C)CC 169807151 WXADOZSWDXJEEQ-CYBMUJFWSA-N 352.484 4.691 0 50 FJAA CCc1cccc(Cl)c1CNc1ccc(C(=O)N2CCCCC2)nc1 170608163 CBGHJVBHSGFSGV-UHFFFAOYSA-N 357.885 4.536 0 50 FJAA O=C(Nc1ccccc1CCC(F)(F)F)Nc1cccc2c1OCCO2 176396282 JIZRFCFFJKDRJY-UHFFFAOYSA-N 366.339 4.597 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239231205 VCTLNUYPMBPRDQ-MJDBTJCESA-N 356.293 4.702 0 50 FJAA CC[C@H](C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1c(C)noc1C 331078023 WLGONJFHXOLTLO-ZFWWWQNUSA-N 363.527 4.893 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 408701485 YRUPJJLTTDTHHH-UHFFFAOYSA-N 374.289 4.926 0 50 FJAA CC(C)(CC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 412708269 JEBARWSMLAGHES-QFIPXVFZSA-N 363.501 4.735 0 50 FJAA O=C(c1ccc(-c2cccs2)cc1)N1CCCC[C@@H]1CCn1ccnc1 426496625 CYGDGMOWYWEDRM-LJQANCHMSA-N 365.502 4.697 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)c(C)oc2c1C 914741045 VTERYLFIQLWZFF-UHFFFAOYSA-N 358.777 4.781 0 50 FJAA CC(C)n1nc(CCc2ccccc2)nc1-c1cccc([C@H]2CCOC2)c1 1875348231 JYVHWQKSLZVSJB-NRFANRHFSA-N 361.489 4.815 0 50 FJAA Nc1c(C(=O)Nc2ccc3ccccc3c2)sc2nc3c(cc12)CCC3 713306 AETYORHBMXCCIB-UHFFFAOYSA-N 359.454 4.773 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 725241 OYPJVVSAJFWBBB-QFIPXVFZSA-N 355.437 4.834 0 50 FJAA COc1cccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c1 1111891 HBRAPNPQELZWFN-UHFFFAOYSA-N 369.424 4.866 0 50 FJAA COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1 1219075 ADTLBIFDNHMORY-LJQANCHMSA-N 362.454 4.748 0 50 FJAA aggregator CC(=O)c1ccc(C(=O)NCCOc2ccc(C3CCCCC3)cc2)cc1 2877113 CDPCKTOBFSKBGC-UHFFFAOYSA-N 365.473 4.746 0 50 FJAA CCOc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1 2907379 OQEOURSBBKHIOR-HZPDHXFCSA-N 350.245 4.611 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1nc2cc(Cl)ccc2s1 45068062 SGHYBYOSMKGIIY-UHFFFAOYSA-N 374.878 4.557 0 50 FJAA COc1ccc(CO[C@@H]2[C@H]3CC[C@@H]([C@H]4CCC(C)(C)[C@]42O)C3(C)C)cc1 101144405 XLOOCWUKUKOMND-MNQAQMBMSA-N 358.522 4.814 0 50 FJAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1nc2c(s1)CCC2 170622098 FYPORRYHHSZMKM-INIZCTEOSA-N 371.893 4.705 0 50 FJAA CC1(C)CCc2ccccc2[C@H](Nc2ccc3nnc(C(F)F)n3n2)C1 225644967 WZAGWZGRDUKZPW-CQSZACIVSA-N 357.408 4.578 0 50 FJAA CC[C@@H](NC(=O)c1cccc(-c2cn(C(C)C)nc2C)c1)c1ccncc1 299778412 HGFNSBJBAMLSBI-OAQYLSRUSA-N 362.477 4.716 0 50 FJAA O=C1C[C@H](c2ccncc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 409415468 KWEAHRNYHMEIBU-GOSISDBHSA-N 371.415 4.698 0 50 FJAA O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)[C@H]1CCCc2n[nH]cc21 467255799 HHTIXXOWIYVDSR-SFHVURJKSA-N 368.440 4.684 0 50 FJAA CN(C)c1c(Cl)cccc1NC(=O)N1CCC(c2ccsc2)CC1 486540467 ZQFRWYXNFLCUNU-UHFFFAOYSA-N 363.914 4.879 0 50 FJAA Cc1ccc(F)c(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c1Cl 1857736969 XYKPYYQIGFOQHC-ZWKOTPCHSA-N 373.855 4.780 0 50 FJAA O[C@H](CN[C@H]1CCC[C@H](c2ccccc2)CC1)Cc1cccc(Cl)c1 1875341673 BXRWCYPKDJHJFK-BVSLBCMMSA-N 357.925 4.950 0 50 FJAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc2c(c1)OCO2 809539 ZYBSVYRLBBDZQW-UHFFFAOYSA-N 371.396 4.519 0 50 FJAA aggregator O=C(NCCSCc1c(F)cccc1Cl)c1ccc(Cl)cc1 2812672 XJXMPYSNMQDUKL-UHFFFAOYSA-N 358.265 4.796 0 50 FJAA Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 2857167 QGUBPUFQLQNLFA-UHFFFAOYSA-N 358.441 4.737 0 50 FJAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COc1ccc2ccccc2c1 5051488 BVTISEDPEVGINK-UHFFFAOYSA-N 363.501 4.893 0 50 FJAA Cc1ccc(F)c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)c1Cl 72421830 GPSHKMDWCPDEOU-UHFFFAOYSA-N 358.800 4.715 0 50 FJAA Cc1ccc(C)c(-n2ncc(NC(=O)c3ccc4ncccc4c3)c2C)c1 151879769 SWQLQVDJAFQNOJ-UHFFFAOYSA-N 356.429 4.598 0 50 FJAA CC(C)CC[C@H](N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccoc1 225633315 RFIHHSWCFBYHHU-BWAGFHJFSA-N 355.526 4.652 0 50 FJAA C[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(C)O 239284808 CBNTXTSZXBMDJP-DWPFRNKMSA-N 364.316 5.402 0 50 FJAA COc1ccc(Cc2nnc(SCCC(Cl)(Cl)Cl)o2)cc1 328593939 BVWSQRWGPRVQRT-UHFFFAOYSA-N 367.685 4.521 0 50 FJAA Cn1cc(NC(=O)N[C@H]2CCCc3sccc32)c(C2CCCCC2)n1 333637862 IHTFRPYHZURTQA-HNNXBMFYSA-N 358.511 4.728 0 50 FJAA O[C@H](CCc1cccc(NCc2cccn3ccnc23)c1)c1ccccc1 1875337354 SJWUBKCGBLZJIB-JOCHJYFZSA-N 357.457 4.613 0 50 FJAA CC(C)c1cc(O)cc(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1 1875344211 HEELDUYVJGTAAX-KELGSRBJSA-N 365.517 4.989 0 50 FJAA C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 622474 DUPIQORRSLJOEJ-LBPRGKRZSA-N 370.518 4.522 0 50 FJAA Cn1c(C2=CC(C)(C)NC(C)(C)C2)ccc1C1=CC(C)(C)NC(C)(C)C1 754179 AWMYJYKBDLQLFZ-UHFFFAOYSA-N 355.570 4.893 0 50 FJAA Cc1cc(OC(=O)c2ccccc2F)cc(OC(=O)c2ccccc2F)c1 853072 DKKCIXJXAKYNMR-UHFFFAOYSA-N 368.335 4.712 0 50 FJAA biogenic CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C=C(C)C 959456 KXJDXCOLUZEUGZ-UHFFFAOYSA-N 373.474 4.895 0 50 FJAA O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 1116448 WZUNUHCLMPWOKH-UHFFFAOYSA-N 351.349 4.659 0 50 FJAA O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)O 1203051 KYMSIVQOXUDHBX-UHFFFAOYSA-N 370.257 4.564 0 50 FJAA Clc1cc(Br)ccc1OCCCNCc1ccccc1 2823493 NCXKSMOKOSHEEE-UHFFFAOYSA-N 354.675 4.661 0 50 FJAA CCCCCC[n+]1ccccc1/C=C/c1ccc(OC)c(OC)c1OC 4118586 AYZVARJBOOLKSG-WYMLVPIESA-N 356.486 4.751 0 50 FJAA Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12 4273214 IUIZMQXVTJHHEG-UHFFFAOYSA-N 365.483 4.908 0 50 FJAA CCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C 4320949 UATAZGKSCOZTJO-UHFFFAOYSA-N 357.413 4.548 0 50 FJAA Cc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1C 6846280 WRFHJJNKJXJJHF-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA CC[C@@H](C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 9340792 AJSYCRKGRBSHPW-QGZVFWFLSA-N 364.489 4.691 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(C[C@H]3CC=CCC3)C2)cc1F 12151218 UVADPZQJHLGRKV-RDJZCZTQSA-N 357.448 4.891 0 50 FJAA O=C(CSc1ccccc1)Nc1nnc(CSc2ccccc2)s1 15685710 CHAOKJOVJSXXTA-UHFFFAOYSA-N 373.528 4.561 0 50 FJAA Cc1ccccc1[C@H]1CCCN(Cc2nc(CCc3ccccc3)no2)C1 19638116 AIZYVUDKMIAQRX-FQEVSTJZSA-N 361.489 4.543 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)on1 33269989 KYHRMFJCCQVMEM-KRWDZBQOSA-N 369.396 4.569 0 50 FJAA Cc1[nH]c2ccccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55543407 GGGOIGYHPBDMBG-UHFFFAOYSA-N 373.422 4.817 0 50 FJAA CC(C)c1c(-c2ccccc2)ncn1Cc1csc(-c2cnccn2)n1 65504610 RXZKQMWMBULMKU-UHFFFAOYSA-N 361.474 4.635 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CCCC[C@H]1c1cccnc1 72174181 IVUIDRSZZBYMTP-HNNXBMFYSA-N 355.488 4.634 0 50 FJAA Cc1c(CN(C)C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)[nH]c2ccccc12 91998102 CNPJTTMKTFZINA-QHCPKHFHSA-N 364.464 4.942 0 50 FJAA CCCCn1nc([C@@H]2CCOC2)nc1-c1ccc(-c2ccc(OC)cc2)o1 96132726 IRZTYKDHYIFGNI-MRXNPFEDSA-N 367.449 4.518 0 50 FJAA CO[C@H]1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1 96153471 IYEJTONBVXSWTK-INIZCTEOSA-N 374.481 4.761 0 50 FJAA COc1ccc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c(OC)c1C 97547872 RNLASHJSDOOTIA-LJQANCHMSA-N 365.477 4.534 0 50 FJAA C[C@H](NCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 239339008 LOSGSTOVRAKYCY-YSIASYRMSA-N 357.563 5.778 0 50 FJAA COc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(C)cc1 253426743 IMBADNUTKASFAN-LJQANCHMSA-N 360.413 4.588 0 50 FJAA Cc1ccc(C)n1CCC(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 334160475 FNEZCHBBYPWBDN-SFHVURJKSA-N 369.896 4.824 0 50 FJAA Cc1ccc2nc(-n3nc4c5c(cccc5c3=O)-c3ccccc3-4)sc2c1 390834824 FORACUZUWYVSMR-UHFFFAOYSA-N 367.433 4.951 0 50 FJAA Oc1ccc(/C=C/c2cccc(NCc3ccccc3C(F)(F)F)c2)nn1 1875350577 SIEGQIKNANQWLT-CMDGGOBGSA-N 371.362 4.984 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 1146229 WPIFZNSFSUJCCZ-UHFFFAOYSA-N 365.260 4.855 0 50 FJAA c1ccc2oc(SCCOCCSc3nc4ccccc4o3)nc2c1 2665582 PLSUEGQOCAHAOI-UHFFFAOYSA-N 372.471 4.870 0 50 FJAA O=C1C[C@@H](c2ccccc2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4192371 PZRHIUARXXCWMU-WRQGHLQJSA-N 365.502 4.623 0 50 FJAA CC(C)Cn1cncc1Cn1cnc(-c2ccccc2)c1-c1ccncc1 65406712 QOPNSHDFSJXIAW-UHFFFAOYSA-N 357.461 4.513 0 50 FJAA O=C(Nc1ccc(SCc2ccco2)cc1)N[C@@H]1COC2(CCCC2)C1 96141517 GPCNIIYXWAWPGX-INIZCTEOSA-N 372.490 4.795 0 50 FJAA CSc1nccn1-c1cccc(C(=O)Nc2c(C)cc(C)nc2Cl)c1 134159231 KTTQTKLERNBDNE-UHFFFAOYSA-N 372.881 4.512 0 50 FJAA CSCC[C@@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)O 170612816 CMMLEIBAOFRQEL-CQSZACIVSA-N 374.289 4.549 0 50 FJAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1 333601032 CQTHUYCCTGRQOD-QFBILLFUSA-N 366.509 4.878 0 50 FJAA C[S@@](=O)c1ccc(CNCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 408513114 VGHYYCFGKBAFBL-HSZRJFAPSA-N 370.345 4.798 0 50 FJAA CC(C)SCCN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704330017 SVSHSPGTVWVEMZ-QFIPXVFZSA-N 367.562 4.565 0 50 FJAA Cc1nc(N[C@H](C)c2cccc(-n3cccn3)c2)cc(SC(C)C)n1 1875321557 MXLACUVMFYDCSD-CQSZACIVSA-N 353.495 4.644 0 50 FJAA CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 670469 GNCMGUYHFGBRAJ-NSHDSACASA-N 352.217 4.602 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1-c1ccccc1 975565 USOHYMRQOZMOMU-UHFFFAOYSA-N 359.454 4.961 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1 1178375 NXUTVJYMYLPDCP-UHFFFAOYSA-N 365.241 4.866 0 50 FJAA CC(=O)c1c(NCc2ccccc2)nc(=S)n(Cc2ccccc2)c1C 1181722 PHJRFXWFIIICNB-UHFFFAOYSA-N 363.486 4.784 0 50 FJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1209708 KMRLDHDRGLGFKA-OAHLLOKOSA-N 357.413 4.636 0 50 FJAA CCCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 1747832 QDUYKEYDPJMGLO-UHFFFAOYSA-N 369.461 4.703 0 50 FJAA Cc1cc(C(F)(F)Cl)nc2sc(C(=O)c3ccccc3)c(N)c12 6400184 AEFNWOOUYNIVNH-UHFFFAOYSA-N 352.793 4.706 0 50 FJAA CCCCC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 13642211 VYUGMWCGDSUKQT-LBPRGKRZSA-N 357.479 4.958 0 50 FJAA c1ccc(-n2ncc3c2CCC[C@H]3NCc2ccccc2-c2ccco2)nc1 23478466 DYQMZYJGOGKJPY-HXUWFJFHSA-N 370.456 4.695 0 50 FJAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1ccncc1)C2 67834035 JURYQDWJJVXICF-UHFFFAOYSA-N 366.486 4.522 0 50 FJAA Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)o1 170634366 RFKMZJATXURYQJ-LJQANCHMSA-N 366.461 4.694 0 50 FJAA Cc1ccc2oc(C(=O)N(C)[C@@H](C)c3sc(C(C)C)nc3C)cc2n1 179202202 LTUJHXNFWNBCHS-ZDUSSCGKSA-N 357.479 4.858 0 50 FJAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@H](C(F)(F)F)C1 192733316 ZOGGCNNQDQGDDW-ZDUSSCGKSA-N 369.412 4.540 0 50 FJAA O=C(c1ccc(-c2ccc(F)cc2F)cc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 216318805 XCOBSMXYJUADIU-KODHJQJWSA-N 356.368 4.561 0 50 FJAA O=C1[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 239377956 OGHYAEQLPCICKY-JOCFFJSCSA-N 367.448 4.769 0 50 FJAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239412493 STZBREGCNXRMRU-RHVZCBDQSA-N 365.860 4.578 0 50 FJAA C[C@H](O)[C@H](C)O[C@@H]1CCC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4C3=CC[C@@H]12 257347683 QGCRIKQJTFPYSZ-SHLVXORGSA-N 360.538 4.673 0 50 FJAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(C)c2)C1 437562436 YSVYRNJNJOBMKD-GOSISDBHSA-N 367.493 4.735 0 50 FJAA Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CC[C@H](C)CC2)nc1 2325895249 KREXMMWMKITQSO-JCNLHEQBSA-N 354.519 4.991 0 50 FJAA COc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1OC 787392 RPQNXCQQDLTZTC-UHFFFAOYSA-N 351.189 4.728 0 50 FJAA COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1 865051 OMGLGPKQUFSRNN-UHFFFAOYSA-N 355.503 4.512 0 50 FJAA in-vitro COc1cccc(OC)c1C(=O)OCc1cccc(Oc2ccccc2)c1 938768 NFHILQGSKSAIKC-UHFFFAOYSA-N 364.397 4.853 0 50 FJAA Cc1ccc(C)c(OCC(=O)Oc2c(C)cc(Br)cc2C)c1 958612 FCAOMJQUTZENQD-UHFFFAOYSA-N 363.251 4.667 0 50 FJAA O=C(Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1)c1ccccc1 1164994 JNPWERUIWDWENZ-UHFFFAOYSA-N 365.816 4.949 0 50 FJAA COc1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 1201950 BAYIYSHCKLCHCE-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(OCCC)c2)cc1 2053671 NNXUNQWZMPJHBC-UHFFFAOYSA-N 370.518 4.945 0 50 FJAA CSc1nnc2c(n1)O[C@H](c1c(C)cc(C)cc1C)Nc1ccccc1-2 2977996 OLNFNYMCCXWJLF-GOSISDBHSA-N 364.474 4.689 0 50 FJAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 4740486 CIGVVXFVWNNCHV-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc2C)cc1C 5601761 QKSJPOPQAUFSEZ-CVEARBPZSA-N 372.490 4.565 0 50 FJAA COCC1CCN(C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 12744833 ZUHHYRSNXQMEEH-OAQYLSRUSA-N 371.908 4.747 0 50 FJAA CC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 25558325 FEMOJAYPUQHRMJ-AEFFLSMTSA-N 357.251 4.729 0 50 FJAA CCOc1ccc(CCCC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)cc1C 55359949 UMLBWCKNZFMVOP-IBGZPJMESA-N 368.521 4.509 0 50 FJAA Cc1ccc([C@H](C)Cc2c(-c3ccccc3)ncn2Cc2ccncn2)o1 65462954 IWFDCTXZDWKPNW-MRXNPFEDSA-N 358.445 4.636 0 50 FJAA CN(C)c1nc2cc(NC(=O)N3CCCCC[C@@H]3c3ccco3)ccc2o1 165552375 KWLMIBUPCLXYIT-MRXNPFEDSA-N 368.437 4.636 0 50 FJAA CC[C@H](C)NC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)ccc1Cl 230511793 VHWWZAXARPKOKN-KBPBESRZSA-N 358.869 4.611 0 50 FJAA Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 333562995 HIFTYMKESVNHKY-UZLBHIALSA-N 366.509 4.507 0 50 FJAA O=C([C@H]1CCCc2c1[nH]c1ccccc21)N(Cc1ccsc1)C1CC1 952860855 ADHSBQSIHFEWHS-SFHVURJKSA-N 350.487 4.841 0 50 FJAA CCOc1ccc(Cl)cc1S(=O)(=O)Oc1cccc2ccccc12 1875318098 FAVWCFWRBQFWJE-UHFFFAOYSA-N 362.834 4.660 0 50 FJAA CC1(C)C[C@@H](CC(=O)Nc2ccc3nc(-c4ccccc4)cn3c2)CCO1 1875319953 ZUSGXXQUDDJJNV-MRXNPFEDSA-N 363.461 4.535 0 50 FJAA CCn1cnc2c1CCN(c1nc(-c3ccc(C(C)C)cc3)cs1)C2 2325866257 FUPLDVOYKJPSSU-UHFFFAOYSA-N 352.507 4.713 0 50 FJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1C[C@H]1c1ccccc1 755099 NGPJRMALIRIVRY-VQTJNVASSA-N 353.425 4.744 0 50 FJAA COc1ccc(/C=C2\N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1 985393 DADNIAUWWKRDAS-JWGURIENSA-N 368.436 4.525 0 50 FJAA COc1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 2858073 AEEHAGASIITDQV-UHFFFAOYSA-N 371.687 4.920 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2ccc(CC)cc2)c(OC)c1 4702091 LNYIYWMQNRFQSP-GQCTYLIASA-N 356.462 4.765 0 50 FJAA CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 4866732 PRIQCEUTHKYHTM-JOCHJYFZSA-N 367.489 4.763 0 50 FJAA Cc1ccccc1CSCC(=O)Nc1cccc(Br)c1 5102584 QJCBDRBXXUSEKU-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA CC(C)(C)c1cn2c3ccccc3nc2n1CCCNC1CCCCC1 6211964 JOLKDLHFKMOEOG-UHFFFAOYSA-N 352.526 4.899 0 50 FJAA O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC[C@H](N2CCCC2)CC1 150791261 UXIPDZDRAVQEEY-SFHVURJKSA-N 372.509 4.645 0 50 FJAA Cc1c(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cccc1N(C)C 180174628 NGZAQSKPFQAPGE-UHFFFAOYSA-N 374.488 4.864 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)on1 333500194 NXBLKZPOYGLLFV-TTZDDIAXSA-N 372.494 4.712 0 50 FJAA CCC[C@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3cccnc3)cc2)cc1 426443418 RCUIWYZMVMGATJ-QHCPKHFHSA-N 374.484 4.854 0 50 FJAA C[C@H](CC1CCCCC1)C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 464433288 FDONTYZHKJPDBK-XLIONFOSSA-N 351.494 4.620 0 50 FJAA O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)[C@@H]1CCCc2n[nH]cc21 467255798 HHTIXXOWIYVDSR-GOSISDBHSA-N 368.440 4.684 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 822534955 BJZKIOXJFMQWEZ-UHFFFAOYSA-N 350.340 4.615 0 50 FJAA Fc1ccc2c(Cc3nc(-c4nccc5ccccc45)no3)coc2c1F 904591539 YAPLWOZKSYZIFC-UHFFFAOYSA-N 363.323 4.900 0 50 FJAA C[C@@H]1CCN(CCOc2ccc(-c3cnc4c(F)cccc4c3)cc2)C1 1875408478 XLVNSOLZDMTICQ-MRXNPFEDSA-N 350.437 4.762 0 50 FJAA Cc1cc(CNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)ccn1 2325860362 FASSPZBRMWMVSG-TUUBTQOTSA-N 360.501 4.544 0 50 FJAA C[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 631065 NYFJULIQPSPMGS-ROUUACIJSA-N 372.468 4.669 0 50 FJAA COc1ccc(-c2csc3nc(-c4ccccc4)oc(=O)c23)cc1OC 798302 XPBQTPWLVPXDES-UHFFFAOYSA-N 365.410 4.601 0 50 FJAA Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 1216701 WCUUBWOSGRATMQ-UHFFFAOYSA-N 356.429 4.598 0 50 FJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(OC)cc2)s1 2239426 GQTUZLANYNAXLU-INIZCTEOSA-N 368.462 4.733 0 50 FJAA COc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)cc1 4413512 OYLFZTBILRRYIC-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(C)cc3C)n2)cc1 13330800 MLZDNXIOJBIKDD-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA Cc1ccc2c(C)nc(N3CCC[C@H](NC4CCCCC4)CC3)nc2c1 14991167 WICQRXFTQSPERA-IBGZPJMESA-N 352.526 4.528 0 50 FJAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 17075656 YZBWXUMBVMJAEN-KLXIGZAZSA-N 368.565 4.982 0 50 FJAA c1cc(-c2cn3c(n2)CCCC3)ccc1NCc1cnc(C2CC2)s1 122084815 DEYYTVIVEJWVIB-UHFFFAOYSA-N 350.491 4.832 0 50 FJAA C[C@H](NCC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 239338677 KXPJSSIVKJYOLN-JBACZVJFSA-N 371.590 5.853 0 50 FJAA Cc1cccn2cc(-c3ccc(N[C@@H](C)c4cc5n(n4)CCC5)cc3)nc12 414117513 ZSURPUOUIJQPTK-INIZCTEOSA-N 357.461 4.626 0 50 FJAA CCN(C(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1)C1CCOCC1 426641559 OTCYZKSFUKVCEA-UHFFFAOYSA-N 373.880 4.657 0 50 FJAA C[C@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)c1cccc(Cl)c1 1463331110 GHJIPNAHQWYBHV-LBPRGKRZSA-N 355.800 4.678 0 50 FJAA Cc1ccccc1C1CC(N(C(=O)c2ccc(-c3cn[nH]c3)cc2)C2CC2)C1 1875302829 ILQBZQTUGQRVPE-UHFFFAOYSA-N 371.484 4.936 0 50 FJAA O=C(OC[C@H]1CCC2(CC2)C1)c1cc(OCC2CC2)c2ccccc2n1 1875357566 LWQQEQNYNFZTHZ-INIZCTEOSA-N 351.446 4.761 0 50 FJAA Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](C)CC3CC3)cccc2c1=O 2325728264 JIMAMKJPXPFQMW-CQSZACIVSA-N 361.441 4.687 0 50 FJAA Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c(C)cc1Cl 2325740749 YTEPBSIBLPNHGO-UHFFFAOYSA-N 368.864 4.893 0 50 FJAA O=C(O[C@H]1CCC[C@@H]1c1cccnc1)c1ccc2ccc(Cl)cc2n1 2325743036 XPHNZJWRSHWVKX-APWZRJJASA-N 352.821 4.776 0 50 FJAA CCc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 672163 KLSFLDKXKIJXBG-UHFFFAOYSA-N 356.219 4.925 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1 1062709 ZHYPSOBKXKUQKS-UHFFFAOYSA-N 355.397 4.964 0 50 FJAA C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 5028109 RRFHAHDZWGJSII-XUXNNNHQSA-N 362.311 4.843 0 50 FJAA CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@@H]1CCCO1 11775128 UWECWBKDCATBDH-INIZCTEOSA-N 368.399 4.670 0 50 FJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(Cc2cccnc2)C1 11938567 YLKFREHQPOZIGW-OAQYLSRUSA-N 374.459 4.983 0 50 FJAA CN(Cc1cccc2ccccc12)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 12040410 YMUXVLFNPZVTMQ-HSZRJFAPSA-N 372.512 4.853 0 50 FJAA C[C@H]1CN(CCCCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 13153555 SGTHCPWGCBTTQS-KDURUIRLSA-N 355.478 4.747 0 50 FJAA CC(C)(C)n1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c1 71749818 DRPLKLPIOUAVID-GOSISDBHSA-N 356.485 4.867 0 50 FJAA FC(F)(F)COc1ccccc1OCc1csc([C@@H]2CCCO2)n1 153228209 FHTKPZGOIAOAIJ-AWEZNQCLSA-N 359.369 4.515 0 50 FJAA O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 186845385 OMVXZOHGJNRUMP-SFHVURJKSA-N 373.815 4.566 0 50 FJAA Cc1nc(-c2cccc(C(F)(F)F)c2)sc1-c1nc(N)ncc1Cl 221590000 LLGAYKSPONCIMD-UHFFFAOYSA-N 370.787 4.830 0 50 FJAA Clc1cccc2ccc(CN(Cc3cccnc3)Cc3cccnc3)nc12 223062533 PLFFCHDYVMKGSP-UHFFFAOYSA-N 374.875 4.881 0 50 FJAA Cc1ccc(-c2ccc(C(=O)NC3(CC(=O)O)CCCCC3)cc2)cc1 223364074 IOAKVAPQGOIURP-UHFFFAOYSA-N 351.446 4.569 0 50 FJAA CC[C@H](O)c1nccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 225654907 GYHARCOEELHSMB-AWEZNQCLSA-N 367.396 4.517 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCC2 829051 UEBMMNXDVVLIMR-UHFFFAOYSA-N 371.502 4.963 0 50 FJAA Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1C 1066551 GEFUAQZKOGKQLC-UHFFFAOYSA-N 351.475 4.626 0 50 FJAA CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc(C)c1CC 1113654 QGJMCZBMRGLUMQ-INIZCTEOSA-N 359.491 4.928 0 50 FJAA CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1 2859285 NVZJZEAZHBDNTP-UHFFFAOYSA-N 351.431 4.715 0 50 FJAA CCCC[C@@H](CC)C(=O)NC1CCC(NC(=O)[C@H](CC)CCCC)CC1 4614439 WHFDZVRYSUDUBR-UVHRUJRTSA-N 366.590 4.963 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)c1 9229978 SPRJBYIQUHLCMC-LJQANCHMSA-N 354.450 4.530 0 50 FJAA O=C(c1ccc2ccccc2c1)c1cn(-c2ccc(C(F)(F)F)cc2)nn1 12961457 LVSRRMFPCRUGFV-UHFFFAOYSA-N 367.330 4.670 0 50 FJAA Cc1[nH]c2c(C)ccc(C)c2c(=O)c1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 136410369 NAUAUTBUVZYDHK-HXOBKFHXSA-N 352.522 4.854 0 50 FJAA CC(C)(C)c1ncc(C(=O)Nc2cccc(Oc3ccncc3)c2)s1 170625851 BPLUEEXBANYZPD-UHFFFAOYSA-N 353.447 4.880 0 50 FJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=C/CO)CC[C@H]32)C1 253612389 MIPBKEDUAJVNOP-YJIYJNIKSA-N 358.522 4.800 0 50 FJAA O=C1C[C@@H](c2cccnc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 263588259 QXIJQYDDOYHKCL-SFHVURJKSA-N 371.415 4.698 0 50 FJAA CCc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCC2)cs1 299757354 MKFVKKGKXJZTJB-SFHVURJKSA-N 362.926 4.531 0 50 FJAA CC(C)c1cccc2c1CCN(C(=O)Cc1coc(-c3ccccc3)n1)C2 475025726 XRWUZFOTXGIMNZ-UHFFFAOYSA-N 360.457 4.592 0 50 FJAA CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1Cl 827621852 UBTRDKIJKZYLHO-UHFFFAOYSA-N 355.825 4.668 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](c3ccccc3)C2)cc1F 1875307589 FGWHZLDLTKMREK-RIFZZMRRSA-N 354.469 4.587 0 50 FJAA CC(C)(C)c1ccc(C2CCC(NC(=O)c3ncncc3Cl)CC2)cc1 2325757824 BWESWVWJISPBBW-UHFFFAOYSA-N 371.912 4.884 0 50 FJAA CCOC(=O)[C@@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 640278 PCSACVVVELKKBR-QFIPXVFZSA-N 361.441 4.982 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 848323 NVAVHXBTUBZJJK-DHZHZOJOSA-N 364.470 4.703 0 50 FJAA biogenic COc1ccc(NC(=O)c2cccnc2Nc2ccc(Cl)cc2)cc1 1076179 GJCDBKJIGYKWHA-UHFFFAOYSA-N 353.809 4.740 0 50 FJAA CCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl 1183181 XSXJCBINSGADIN-UHFFFAOYSA-N 373.865 4.680 0 50 FJAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 2876914 COHKUBDBCQWRJY-UHFFFAOYSA-N 364.276 4.656 0 50 FJAA O=C(NCCCN1CCCc2ccccc21)Nc1cccc2ccccc12 3683367 VOSWPOMZAQBHRG-UHFFFAOYSA-N 359.473 4.804 0 50 FJAA COc1cc(C=O)ccc1OCCOc1cccc(Oc2ccccc2)c1 4702056 BRTTWCZNZFJGHU-UHFFFAOYSA-N 364.397 4.758 0 50 FJAA CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(OC)cc2)CC3=O)cc1 4747455 VOEOQPPFSVGMBP-KRWDZBQOSA-N 373.456 4.704 0 50 FJAA O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)cc1Cl 10296536 RZUCWIFZNWVMOP-OAHLLOKOSA-N 366.244 4.804 0 50 FJAA Cc1ccc(-c2n[nH]cc2CNCc2ccc(CN3CCCC3)cc2)cc1C 15065568 JMDFBVFISFIBIN-UHFFFAOYSA-N 374.532 4.579 0 50 FJAA O[C@@H](COCc1ccc(Cl)cc1)CSCc1ccc(Cl)cc1 23114806 CMLARVSWFSYAAI-KRWDZBQOSA-N 357.302 4.804 0 50 FJAA Cc1cc(CNC(=O)[C@@H](C)n2cccn2)c2[nH]c(-c3ccccc3)c(C)c2c1 71755368 NXFKECWQAQCECV-QGZVFWFLSA-N 372.472 4.526 0 50 FJAA Cc1cccc([C@H](NC(=O)CCc2scnc2C)c2cccs2)c1 82109321 YPZSIBOQXKGLEB-IBGZPJMESA-N 356.516 4.660 0 50 FJAA Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H](c2nccn2CC2CC2)C1 82120898 UIUBAZNQTWHRQD-MRXNPFEDSA-N 372.900 4.666 0 50 FJAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 95531085 NZWPADNHNZXORO-INIZCTEOSA-N 371.912 4.555 0 50 FJAA Cc1c(NC(=O)c2cc3c(s2)CCCCCC3)cnn1C1CCOCC1 333049710 GJPAAOSICWZQMV-UHFFFAOYSA-N 373.522 4.516 0 50 FJAA C[C@H](O)[C@](C)(CN[C@@H]1CCC(C)(C)c2ccccc2C1)Cc1ccccc1 1875345103 RZHHKSAWRXQNRL-SWHJIRTISA-N 365.561 4.889 0 50 FJAA COCC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 641620 CXEWRLLTJYRWCL-UHFFFAOYSA-N 362.425 4.674 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccccc2C1 758190 MRPXIBNDZZKHPH-UHFFFAOYSA-N 352.821 4.502 0 50 FJAA Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)n1 1073951 KPEWZZLVEKXBTD-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA Cc1ccccc1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O 1124881 GZIOBEYRYZKLFC-UHFFFAOYSA-N 366.214 4.711 0 50 FJAA COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 1411741 BDIMJXUPZXYIAW-UHFFFAOYSA-N 369.804 4.947 0 50 FJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NC(c1ccccc1)c1ccccc1)CC2=O 2875755 RLVRPDWBTNFNJU-RPWUZVMVSA-N 361.485 4.678 0 50 FJAA CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4724533 UZVMLGYKEVSCIY-QINSGFPZSA-N 363.436 4.560 0 50 FJAA COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1 4866872 TYOVVJPGLYHEFC-NTCAYCPXSA-N 368.436 4.873 0 50 FJAA Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCc3ccccc3)nc2C1 10156893 DUWXYFQKWCHVKN-SFHVURJKSA-N 357.457 4.618 0 50 FJAA CC(C)Cc1ccc([C@H](C)c2nc3nccc(-c4cccnc4)n3n2)cc1 253399458 CXWULKKRSCTAJB-INIZCTEOSA-N 357.461 4.537 0 50 FJAA Cc1cc(S(=O)(=O)N2CCCCc3ccc(Cl)cc32)sc1C 2325829439 KDZXDAPYZZKMCA-UHFFFAOYSA-N 355.912 4.550 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 639626 PXGCSXIRTUQWBJ-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1sc(NC(=O)C(F)(F)F)c(C(=O)OC(C)C)c1-c1ccccc1 676000 FFMBIRSYLBSJKJ-UHFFFAOYSA-N 371.380 4.790 0 50 FJAA Cc1cc(C)nc(SCC(=O)N2c3ccccc3[C@@H](C)CC2(C)C)n1 921899 RDGHYWRMBNPLTF-ZDUSSCGKSA-N 355.507 4.505 0 50 FJAA C[C@H]1Cc2ccccc2N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 4709311 YNTDVDRZBUZHJM-AVRDEDQJSA-N 359.469 4.545 0 50 FJAA Cc1cc(C)c2c(c1)C(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)C(=O)N2 5102667 CDSCMAVZIOOPFM-UHFFFAOYSA-N 373.452 4.618 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=S)N[C@H](CC)c2ccccc2)s1 6708566 IKRAIVGIVSSPFS-OAHLLOKOSA-N 362.520 4.535 0 50 FJAA COc1ccccc1[C@H](C)N(C)Cc1nc(Cc2ccccc2Cl)no1 15072084 FIDVKFSRCBFEAQ-AWEZNQCLSA-N 371.868 4.515 0 50 FJAA COc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19832607 HHVDXWGGMLPDNA-UHFFFAOYSA-N 372.468 4.506 0 50 FJAA COc1cc(CN(Cc2cccnc2)Cc2ccsc2)cc(Cl)c1O 55254939 BXRNICULPCHWNR-UHFFFAOYSA-N 374.893 4.713 0 50 FJAA COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 55543759 QVXLULHKBWUYJT-UHFFFAOYSA-N 358.485 4.684 0 50 FJAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@H](CCc2ccccc2)C1 71756912 TZKYSKNPOBSRJF-LJQANCHMSA-N 359.473 4.562 0 50 FJAA FC(F)(F)COc1ccc(OCc2csc([C@H]3CCCO3)n2)cc1 153399503 HQPDIULDVYGVKL-CQSZACIVSA-N 359.369 4.515 0 50 FJAA O=C(c1ccc(Cl)c(Cl)c1O)N1CCCC[C@@H]1c1nccs1 174608882 UASANFVQQIHEAI-LLVKDONJSA-N 357.262 4.523 0 50 FJAA Cc1cc(OC[C@H](O)CN[C@@H]2CCC[C@@H](C)[C@H]2C)c(C(C)C)cc1Cl 252438308 WBUQDBZWBIJYKV-WVSUBDOOSA-N 367.961 4.926 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)on1 333500181 NXBLKZPOYGLLFV-AYDFFVQHSA-N 372.494 4.712 0 50 FJAA O=C(Nc1cnccc1-c1ccccc1)[C@H]1CCOc2ccc(Cl)cc21 429227737 PAWUHTGQYHFONK-KRWDZBQOSA-N 364.832 4.907 0 50 FJAA Cc1cc(Cl)c2ccccc2c1NC(=O)N[C@@H]1CCN2CCCC[C@@H]12 462870065 YSEOOMHSDYMMNT-MSOLQXFVSA-N 357.885 4.550 0 50 FJAA COc1ccc2cc(CN[C@@H](CC(C)(C)C)c3cccnc3)c(O)nc2c1 952966658 VXCXKRAJCCYXBU-FQEVSTJZSA-N 365.477 4.611 0 50 FJAA COc1cc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)sn1 1875328828 NZKFQZKZUSVBLN-CYBMUJFWSA-N 350.447 4.640 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NC[C@@H]1CCN1C1CCCCC1 2325863096 VQSUDFXOOXOEFM-SFHVURJKSA-N 368.521 4.912 0 50 FJAA Cc1oc2ccccc2c1CN(C)C1=NC[C@H](c2ccc(Cl)cc2)N1 2325864530 RHRWFNAAIRDWFT-GOSISDBHSA-N 353.853 4.527 0 50 FJAA Cc1cccc(C(=O)NC(=S)Nc2ccc(Nc3ccccc3)cc2)c1 675578 TTWFPVQVWFDUSA-UHFFFAOYSA-N 361.470 4.865 0 50 FJAA CC(C)COc1ccc([C@H](O)[C@@H](CN2CCCC2)c2ccccc2)cc1 753522 YCJYBYTUTWAFAD-GOTSBHOMSA-N 353.506 4.634 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3csc4ccccc34)C[C@H]2C)c1 1114485 LTOCUYQUDGQFIA-MRXNPFEDSA-N 350.487 4.561 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)cc(C)c1Br 1160173 MLSXWFNVNVHPIT-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cc1ccccc1CSCC(=O)Nc1ccccc1Br 4797084 PMZBAXYOCCCLKH-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)n[nH]1 12300985 PCAKHWJMBBTFAC-IBGZPJMESA-N 367.880 4.552 0 50 FJAA C[C@H]1CCC[C@H](C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1 13733893 BPZBEIHSHWNWTE-PMACEKPBSA-N 364.533 4.588 0 50 FJAA in-vivo Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cc(F)ccc3F)C2)cc1 15067844 DRBXNLPWSGZYOP-HNNXBMFYSA-N 371.406 4.874 0 50 FJAA c1ccc(CNc2cc(-c3cncc4ccccc34)c3cc[nH]c3n2)nc1 72412349 SZQYEFBQUMDALK-UHFFFAOYSA-N 351.413 4.785 0 50 FJAA 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@@]12C 257349654 PWDNBUZSKOZXCR-SIMJAEPESA-N 362.554 4.815 0 50 FJAA Cc1nc(-c2cccc(C(=O)NCCCC[C@@H]3CCCO3)c2)sc1C 299756179 IXYHSZYPHCDIAM-GOSISDBHSA-N 358.507 4.506 0 50 FJAA CCOc1ccc([C@@H](CC)NC(=O)c2ccc(NC(C)=O)cc2Cl)cc1 823374733 LYJAECQSDDJXCA-LJQANCHMSA-N 374.868 4.578 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3c(C)cccc3C(C)(C)C)C[C@@H]21 1704303625 MKNQJWONOCXZJV-TVTNDZMWSA-N 358.526 4.697 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(-c4ccco4)cc3)C1)CC2 1704312411 RJYJUNHIGWBFQF-QHCPKHFHSA-N 359.473 4.525 0 50 FJAA CC(C)(C)c1csc2nc(-c3nscc3Br)nc(O)c12 2325853022 ARQAPMXJTNNIBP-UHFFFAOYSA-N 370.297 4.580 0 50 FJAA Cc1cc2cccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)c2o1 2356150103 LXRKAHODNZOEIM-UHFFFAOYSA-N 367.470 4.507 0 50 FJAA Cn1c(SCc2ccc(Cl)cc2Cl)nc2ccccc2c1=O 630610 HFPLHRFPPQYKSQ-UHFFFAOYSA-N 351.258 4.533 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1Cl 1062018 CSGMULPWTQCUIM-UHFFFAOYSA-N 373.861 4.816 0 50 FJAA Cc1cc(C)nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 1182185 WULGRKKZRPBWLY-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA CCc1nnc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)s1 8994097 FONULVYNTYUMQC-UHFFFAOYSA-N 367.352 4.632 0 50 FJAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2ccsc2)C1 11844309 ZOQSJDYKGDKGBB-MRXNPFEDSA-N 360.498 4.827 0 50 FJAA COC[C@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C 14971869 SQDLJSKLJASTPU-MRXNPFEDSA-N 368.399 4.670 0 50 FJAA COCCC1CCN(C(=O)c2ccc(NCc3sccc3C)cc2)CC1 65508597 NAJLQGYFNMMYTG-UHFFFAOYSA-N 372.534 4.557 0 50 FJAA CC(C)Cn1cncc1CN1CCC[C@@H](CCc2ccc(F)cc2F)C1 72139014 YMMOVGSNNMBBSB-KRWDZBQOSA-N 361.480 4.662 0 50 FJAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 82136868 RNHSJORQFSFCHS-FQEVSTJZSA-N 363.461 4.537 0 50 FJAA c1ccc(C[Si](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 169818273 QHOSVCGYRCSAKJ-UHFFFAOYSA-N 364.564 4.813 0 50 FJAA NC(=O)c1ccccc1N=c1cc(-c2ccccc2)oc2ccc(Cl)cc12 238900854 KKYOUUOVONQGSL-UHFFFAOYSA-N 374.827 5.085 0 50 FJAA CC1(C)CN(C(=O)CCc2c[nH]c3ccccc23)CC[C@@H]1C(F)(F)F 241588437 PDDQLSMSAOUFSX-INIZCTEOSA-N 352.400 4.538 0 50 FJAA CC(C)c1nc2cc(NC(=O)N3CCc4c(Cl)cccc4C3)ccc2[nH]1 299797197 QCDHEPKLCPOCJJ-UHFFFAOYSA-N 368.868 4.930 0 50 FJAA CCN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 2325729135 WDUNGTGGLKCABJ-MRXNPFEDSA-N 355.478 4.506 0 50 FJAA O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 732300 YEKDJDHVNPATSX-UHFFFAOYSA-N 368.429 4.539 0 50 FJAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cc(Cl)cc(Cl)c1 798592 VSIZFSVRDRMEQB-UHFFFAOYSA-N 371.223 4.746 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(C)c1 1169728 IWGQHMQWCDQFIO-UHFFFAOYSA-N 372.896 4.965 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1 1773739 LYGVGNFYZIOWAE-UHFFFAOYSA-N 369.461 4.750 0 50 FJAA Cc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cc2ccccc2o1 6702379 DYHJXYHOTJFWDE-UHFFFAOYSA-N 371.396 4.641 0 50 FJAA COCCn1ccc(-c2sc(NCc3ccc(C(C)C)cc3)nc2C)n1 11871761 BVMJEPCLQYOBRB-UHFFFAOYSA-N 370.522 4.697 0 50 FJAA CN(Cc1cccc2ncccc12)C(=O)c1cccc(-c2ccc(O)cc2)c1 55359782 GOJYEICADLRFQU-UHFFFAOYSA-N 368.436 4.880 0 50 FJAA Cc1nn(C)cc1-c1c(-c2ccccc2)ncn1Cc1cccc2[nH]ccc12 67515418 WNFSAASTESWMCG-UHFFFAOYSA-N 367.456 4.789 0 50 FJAA CC(=O)c1cccc(-c2nccn2-c2cccc(-c3nnc(C)s3)c2)c1 71757085 TZSAPWAIKAQHNR-UHFFFAOYSA-N 360.442 4.569 0 50 FJAA CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-c2cc[nH]n2)cc1 91876855 NEJYEKYBOKBPNS-UHFFFAOYSA-N 357.816 4.532 0 50 FJAA C[C@@H](O)CCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21 95726647 ALUOSHHIHVCMCU-OAHLLOKOSA-N 355.865 4.881 0 50 FJAA in-vitro O=C(NCCC[C@@H]1CCOC1)Nc1ccccc1Oc1ccccc1F 96140967 PFOOMCCROMFSGN-OAHLLOKOSA-N 358.413 4.556 0 50 FJAA O=C(O)c1cccc(Nc2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)c1 170621811 NAAWSYOARHGPAR-UHFFFAOYSA-N 374.322 4.681 0 50 FJAA Cc1cc(C)n(Cc2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)nc2)n1 426719782 CFJBTEPEPFKJTK-LJQANCHMSA-N 360.505 4.767 0 50 FJAA CCCCC[C@@H](CC)c1nc(-c2cccc(CN3CCOCC3)c2)no1 1875357663 QGJYGPAJUZYYRE-GOSISDBHSA-N 357.498 4.643 0 50 FJAA O=C1N[C@H](c2ccc(Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1 662896 PVWFEUGIAVRVBK-CQSZACIVSA-N 373.890 4.776 0 50 FJAA CCOc1ccccc1-c1csc(NC(=O)CCc2ccccc2)n1 937347 ZWPBHBCMPVSHFJ-UHFFFAOYSA-N 352.459 4.780 0 50 FJAA Cc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 1179523 GVVNSLJCPYSERW-UHFFFAOYSA-N 360.482 4.640 0 50 FJAA Cc1ccc(-c2nnc(-c3cccc(NC(=O)Cc4ccccc4)c3)o2)cc1 2850671 HHSNXINWRGAYHZ-UHFFFAOYSA-N 369.424 4.893 0 50 FJAA O=c1c2ccccc2ncn1CCCCOc1ccc(Cl)c(Cl)c1 3461673 BDTULYQAAGYCNQ-UHFFFAOYSA-N 363.244 4.563 0 50 FJAA COc1cccc([C@@H]2CN(c3ccccc3)N=C2c2cccs2)c1OC 5361706 UDYRITANJYBLRZ-KRWDZBQOSA-N 364.470 4.773 0 50 FJAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3cn(CC)nc3C)nc21 8782665 XUXRUDNZHZYJJG-UHFFFAOYSA-N 365.403 4.750 0 50 FJAA Clc1cccc(-c2noc(CN3CCC[C@H](c4ccccc4)C3)n2)c1 20598247 ILJWZMYJAWUNOA-KRWDZBQOSA-N 353.853 4.770 0 50 FJAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 20615137 USNLTORJJSIZCF-UHFFFAOYSA-N 361.417 4.948 0 50 FJAA Cc1ccccc1C(OC[C@H](O)CN1CCCC[C@H]1C)c1ccccc1C 28221123 QHNFFQDJTAIQCO-NHCUHLMSSA-N 367.533 4.645 0 50 FJAA O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([C@H]2CCCO2)s1 91616787 YPAJZQHABFPTFK-OAHLLOKOSA-N 370.499 4.653 0 50 FJAA Fc1cccc(Cl)c1CN1CCC(c2nccn2CC2CCC2)CC1 91745749 JNEMHHWPZJJRQD-UHFFFAOYSA-N 361.892 4.855 0 50 FJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc2cc[nH]c2c1 194242229 KJHJPWCGNJTSKK-SFHVURJKSA-N 351.454 4.657 0 50 FJAA O=C(NC[C@H]1OCCc2ccccc21)c1sccc1-c1ccc(F)cc1 733117046 KUVBLPNGRACFKM-LJQANCHMSA-N 367.445 4.598 0 50 FJAA O=C(Nc1ccc(-c2ccccc2)cc1)NC1CCN(C2CCCC2)CC1 748933759 HVTDHUQAXAPTPA-UHFFFAOYSA-N 363.505 4.882 0 50 FJAA O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccc(F)cc1 677810 PAASYUJJRNGMKY-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2Cl)o1 812267 GXLMEZKHDODQMV-UHFFFAOYSA-N 357.793 4.773 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 1056821 ZNHBWRSMVMIORE-IOHHAYIISA-N 369.436 4.720 0 50 FJAA CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1 12049522 KDFXHEYHXDZHDQ-LJQANCHMSA-N 355.865 4.638 0 50 FJAA COc1cccc([C@H]2CCCN2c2nncc(-c3cccc(Cl)c3)n2)c1 12073691 IFQBMTBBNUMTMV-LJQANCHMSA-N 366.852 4.542 0 50 FJAA CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(OC)c(OC)c1 12561888 NJKXCECKMAPPHS-ZRDIBKRKSA-N 368.458 4.519 0 50 FJAA c1cc(-c2cnc3ccccc3n2)cc(-c2ccn(Cc3ccncc3)n2)c1 20540946 OFVYLMKLCGOARV-UHFFFAOYSA-N 363.424 4.604 0 50 FJAA O=C(CCCCCCCCC(=O)[C@@H]1CCCCC1=O)[C@@H]1CCCCC1=O 25627899 RAOXNINWQAFWNG-ROUUACIJSA-N 362.510 4.764 0 50 FJAA Clc1cccc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 71752517 DTCUDNNVDRCUJV-HNNXBMFYSA-N 357.668 4.615 0 50 FJAA CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)CC(C)(C)CO 72473738 LKYPNNDIDSYZQO-UHFFFAOYSA-N 369.553 4.585 0 50 FJAA CCc1noc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)n1 91680802 BDMGREZBDDUHOX-AWEZNQCLSA-N 371.824 4.523 0 50 FJAA O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccccc2)c(Cl)c1 100822862 GVPLMAJOTQRHCH-IYBDPMFKSA-N 353.805 4.588 0 50 FJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCO[C@H]1c1ccccc1 170591285 GULXEYVMEVZLMY-DYVFJYSZSA-N 366.244 4.805 0 50 FJAA O=C(c1ccc([C@H]2CCCNC2)cc1)N(Cc1cccc(Cl)c1)C1CC1 215103684 PTZPWIYVMQSNGB-IBGZPJMESA-N 368.908 4.612 0 50 FJAA Cc1cc(CN[C@@H](C)[C@H](O)c2ccc(F)cc2)ccc1Oc1cccnc1 237557796 NYLARHZLRLZIHR-AOMKIAJQSA-N 366.436 4.533 0 50 FJAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)Nc1cc(C)cc(C)c1 239009584 AWIZUGJCTVHBSP-ZULIPRJHSA-N 358.526 4.599 0 50 FJAA Cc1c(NC(=O)c2ccc([C@H]3CCCO3)s2)n[nH]c1-c1ccccc1 1940198086 MITKZABKFKAHEO-CQSZACIVSA-N 353.447 4.550 0 50 FJAA C[C@@H](SCCCn1ccnc1)c1nnc(-c2ccc3ccccc3c2)o1 2325760024 KXRDOQUDTHSFDO-OAHLLOKOSA-N 364.474 4.971 0 50 FJAA Cc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1 993016 IAXDUJFVPBDMLA-QGZVFWFLSA-N 359.425 4.898 0 50 FJAA CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 1001073 VDVFMPOMKNVTKW-QWQRMKEZSA-N 368.506 4.773 0 50 FJAA CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1cccs1 1061018 BFSSJKOJQOORQV-UHFFFAOYSA-N 361.444 4.807 0 50 FJAA O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc2cccnc12 2329244 HVBRBNSFCVXOST-UHFFFAOYSA-N 372.424 4.877 0 50 FJAA O=C(CSCc1ccccc1Cl)Nc1ccc(Br)cc1 2962759 WMWVRKKGQJNISH-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA COc1cccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c1 3902807 DMTXOVYLKNUPGA-JOCHJYFZSA-N 356.425 4.779 0 50 FJAA aggregator COC(=O)c1ccsc1NC(=O)c1sc2ccccc2c1Cl 4281403 ASCWGARVXRKQPP-UHFFFAOYSA-N 351.836 4.655 0 50 FJAA C[C@H](NC(=O)/C(=C/N[C@H](C)c1ccccc1)C(F)(F)F)c1ccccc1 5285735 WQORNXYVQAVJIS-BDEOENBDSA-N 362.395 4.661 0 50 FJAA OC[C@]1(Cc2ccccc2)CCCN(Cc2ccc(-c3ccco3)cc2)C1 12053106 DVCFVXGCZULIGM-DEOSSOPVSA-N 361.485 4.764 0 50 FJAA CC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1 63833057 LOTFLKDEVXFMFE-IBGZPJMESA-N 358.445 4.656 0 50 FJAA CC(C)c1nc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cs1 95358819 UKJHXERCHRFHBE-UHFFFAOYSA-N 371.550 4.525 0 50 FJAA C=CC(=O)Nc1cc(NC(=O)c2ccc(Oc3ccccc3)o2)ccc1F 136622509 LYPXKEWGOAIKNE-UHFFFAOYSA-N 366.348 4.588 0 50 FJAA COc1ccc2[nH]c3c(c2c1)CN(Cc1ccc([C@H]2CCCO2)s1)CC3 216528413 GCLKGFHTSPVVSZ-HXUWFJFHSA-N 368.502 4.648 0 50 FJAA CN1CC=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 254120983 VXBAJLGYBMTJCY-UHFFFAOYSA-N 372.472 4.658 0 50 FJAA in-vitro COCC1(CNC(=O)c2cccc(-c3ccc(F)c(F)c3)c2)CCCC1 299802967 ZIPXNVYFDXHKDD-UHFFFAOYSA-N 359.416 4.568 0 50 FJAA O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)N1CCC[C@@H]1c1ccncc1 333134080 XILJGONXJNSAIB-KMANFZQXSA-N 368.506 4.811 0 50 FJAA CCCOc1ccccc1[C@H](C)Nc1cc(C(=O)N2CCCCC2)ccn1 1704349039 YWDRJQGKKQZJPQ-KRWDZBQOSA-N 367.493 4.670 0 50 FJAA CCOc1cc(C=O)cc(Cl)c1OCc1ccc(Br)cc1 1174956 IHGBADSOVKVQNF-UHFFFAOYSA-N 369.642 4.893 0 50 FJAA COc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 4542923 BPHPSCJTOMCNOS-UHFFFAOYSA-N 360.624 4.673 0 50 FJAA CCCCc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 5041853 VFQYCSNWTKZYRR-UHFFFAOYSA-N 354.431 4.620 0 50 FJAA Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 5553090 CAKGMRBAZANPCB-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA Cc1ccccc1-c1nc(CN(C)Cc2ccc(-n3cccn3)cc2)c(C)o1 11878356 PUSRFHISGWZMMN-UHFFFAOYSA-N 372.472 4.776 0 50 FJAA COc1ccc([C@H](CC(=O)N(C)Cc2ccncc2C)c2ccccc2)cc1 12319370 ODUBLGIXFJHMFH-HSZRJFAPSA-N 374.484 4.579 0 50 FJAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@@H]1c1nccs1 12594018 JSGLPQPUQCAJGX-MRXNPFEDSA-N 361.417 4.722 0 50 FJAA Cc1ccc(-c2nsc(NC(=O)c3oc4ccccc4c3C)n2)s1 21659727 QISAOMIJTAFVIK-UHFFFAOYSA-N 355.444 4.882 0 50 FJAA Cc1ccc2oc(C(=O)N3CCCC[C@@H]3CCn3ccnc3C)c(C)c2c1 77343515 QCAYBLLBUVJYGC-GOSISDBHSA-N 365.477 4.640 0 50 FJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCC2(CCOCC2)CC1 97514237 MUEPNPPSRMRRPY-UHFFFAOYSA-N 368.452 4.917 0 50 FJAA Cc1ccc(OCc2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)cc1 133518776 JDSKYEGRLIUKNY-UHFFFAOYSA-N 364.470 4.607 0 50 FJAA Cc1cc(C)cc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c1 169755217 RCJPBESSSPKVQQ-HNNXBMFYSA-N 367.836 4.527 0 50 FJAA O=C1CCCN1CC[C@@H]1CN(Cc2ccc(C(F)F)cc2)c2ccccc21 183971718 WHOFUJNCFDFSFB-GOSISDBHSA-N 370.443 4.741 0 50 FJAA CC(C)(C)OC(=O)n1c([Si](C)(C)C)cc2c(Br)cccc21 208352623 HBZKAEDILXXWKA-UHFFFAOYSA-N 368.347 4.732 0 50 FJAA in-vitro CN(CCC1(O)CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 299778709 SJJUVWJOCMQUTD-UHFFFAOYSA-N 354.450 4.638 0 50 FJAA CSc1nc2ncnc(N[C@@H](C)c3cccc(N4CCCC4)c3)c2s1 301554666 HWROYKINIHGPLN-LBPRGKRZSA-N 371.535 4.582 0 50 FJAA COc1cccc(CN(C(=O)N[C@H](C)c2ccc(C)cc2C)C2CC2)c1 534662646 GKZBELYVAAPNKY-QGZVFWFLSA-N 352.478 4.747 0 50 FJAA O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)[C@H]1Cc2ccccc21 763010253 HYROPWPAVRBESK-XZOQPEGZSA-N 357.453 4.631 0 50 FJAA CCN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 2325729134 WDUNGTGGLKCABJ-INIZCTEOSA-N 355.478 4.506 0 50 FJAA Cc1ccc([C@@H](NC[C@@H](CO)Cc2ccccc2C)c2cccc(C)n2)cc1 2325841667 CKACQGYMNFEGAB-SQJMNOBHSA-N 374.528 4.537 0 50 FJAA Cc1c(Cl)cccc1NC(=O)CCC(=O)Nc1cccc(Cl)c1C 1003628 ALTJGQIEXHPHNF-UHFFFAOYSA-N 365.260 4.968 0 50 FJAA CC(C)(C)C(=O)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 1116739 DXKVYCLHFJRVKZ-UHFFFAOYSA-N 374.484 4.850 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1Cl 1154739 SDTYBKJGZMXRMP-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA Cc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1 1218407 FDKBOHNANFVYSP-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 2265023 FAISEMHDUFAVNO-UHFFFAOYSA-N 352.507 4.557 0 50 FJAA OCc1cn(-c2ccc(F)cc2F)nc1-c1ccc(Cl)cc1Cl 2544747 VCQMOJIMPOWUCK-UHFFFAOYSA-N 355.171 4.617 0 50 FJAA COc1ccc(OCCCCOc2ccccc2Br)cc1 2904406 HZWNZNZWIFICEZ-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA CCOc1ccccc1OCCOCCOc1c(C)cc(C)cc1Cl 2983803 ZQZAJVSCWBYINP-UHFFFAOYSA-N 364.869 4.830 0 50 FJAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(c1ccccc1)c1ccccc1 3622382 DERGOIQEITWKQF-OAQYLSRUSA-N 371.484 4.809 0 50 FJAA Cc1cc(OCC(=O)NC2CCCCCCC2)cc(C)c1Br 4698625 QUSGSQCBDIVPME-UHFFFAOYSA-N 368.315 4.674 0 50 FJAA CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1)C2 4912643 WCGBEPDRDNMZIB-KRWDZBQOSA-N 359.425 4.771 0 50 FJAA Oc1cc(-c2ccccn2)cc2c1OCCN(Cc1cccc(Cl)c1)C2 11791396 XAPYJIXQJHWSOU-UHFFFAOYSA-N 366.848 4.502 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 19536837 DUCUYDCUCOPAER-RMKNXTFCSA-N 360.423 4.536 0 50 FJAA Cc1ccc2oc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)c(C)c2c1 77357000 IZGOTOQGESYQTP-UHFFFAOYSA-N 360.413 4.977 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccn(C(C)(C)C)c2)cc1 82125402 ZTCGBUWKDKPKQM-OAQYLSRUSA-N 367.537 4.672 0 50 FJAA Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 138934848 YMBMBLLMGQWUAL-VFNWGFHPSA-N 358.913 4.891 0 50 FJAA Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(C)n1 152238583 SBXNWUOGMXLKEX-MRXNPFEDSA-N 352.463 4.677 0 50 FJAA CCCCSc1ncc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)cn1 215136405 OUBASFQHPTWBMV-SFHVURJKSA-N 367.522 4.582 0 50 FJAA CCN(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 253392146 YTEZUFDJOZMLQG-UHFFFAOYSA-N 362.273 4.786 0 50 FJAA O=C(Nc1ccccc1)c1ccc(NCc2cc(-n3ccnc3)cs2)cc1 446888710 MDPUAXIUKFYXFQ-UHFFFAOYSA-N 374.469 4.798 0 50 FJAA Cc1ccc(C)c([C@@H](C(=O)N[C@H](C)CCc2ccc(O)cc2)C(C)C)c1 1875342441 RJENFSGSTUTAAT-GCJKJVERSA-N 353.506 4.886 0 50 FJAA O=C(Nc1cccc2nc(C(F)F)sc12)C1(c2cccs2)CC1 1875405267 BOPYDQMDSLGIHH-UHFFFAOYSA-N 350.415 4.966 0 50 FJAA CCc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1 1084387 SOYFSQDPACRCLO-UHFFFAOYSA-N 374.469 4.876 0 50 FJAA CN(C(=O)CSc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 1159677 MBMCTMJZBHQDME-UHFFFAOYSA-N 358.463 4.704 0 50 FJAA Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 2622232 JXFCHMFNWQQCAT-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA COc1cc(C)ccc1OCCOc1cc(C)c(Br)cc1C 2991099 BCKHCKCWHVJQCX-UHFFFAOYSA-N 365.267 4.841 0 50 FJAA CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(Br)o3)C(=O)O2)cc1 4953540 KEKMPVYVHSDYOK-UVTDQMKNSA-N 374.234 4.684 0 50 FJAA COc1ccccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 5063519 KUVQQLPOACWJTG-UHFFFAOYSA-N 371.392 4.721 0 50 FJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)cn1 8782496 ZOYSIJPWRXFRAJ-UHFFFAOYSA-N 353.376 4.550 0 50 FJAA CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(Cl)c(Cl)c1 11903318 IHZDULACKCQJPT-CYBMUJFWSA-N 356.278 4.601 0 50 FJAA COc1cccc([C@@H](C)NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 13328805 HUVBBMXTWNYRJJ-GFCCVEGCSA-N 370.836 4.803 0 50 FJAA Cc1ccccc1CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 19841813 KEIKQRSZVONYLA-UHFFFAOYSA-N 370.496 4.620 0 50 FJAA Oc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]32)c1 35360495 HCJUXBVEXDTXEU-JLSDUUJJSA-N 360.251 4.789 0 50 FJAA C(=C/c1ccccc1)\CN1CCN(c2nc(-c3ccccc3)cs2)CC1 55510519 DYCSXVJWWWGHHQ-JXMROGBWSA-N 361.514 4.646 0 50 FJAA O=C(C[C@H](c1ccccc1)c1ccco1)N1CCC(c2ccncc2)CC1 65382923 ZDFRBRONKOABCT-OAQYLSRUSA-N 360.457 4.603 0 50 FJAA Cc1cccc(C)c1OCCn1cnc(-c2ccccc2)c1-c1[nH]cnc1C 67955442 CQNBYWLBEPVYOP-UHFFFAOYSA-N 372.472 4.944 0 50 FJAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 72430475 WLRGMYYFGCJZNQ-FQEVSTJZSA-N 355.453 4.507 0 50 FJAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72456632 OSMCVUFEIIWNKQ-MRXNPFEDSA-N 364.489 4.705 0 50 FJAA Cc1cc(F)ccc1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1 426574802 FCBCGIUMHOAHKN-FQEVSTJZSA-N 355.453 4.832 0 50 FJAA CCc1ccccc1-c1cccc(C(=O)N2CCC[C@H](CCOC)C2)c1 426677716 PXISEVWWHOAHTL-GOSISDBHSA-N 351.490 4.805 0 50 FJAA O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccs1 1114382 QHOJQUNJBCFEBI-UHFFFAOYSA-N 353.428 4.779 0 50 FJAA COc1cccc2cc(-c3csc(Nc4ccccc4C)n3)c(=O)oc12 2281244 VOFWRKJCBQELOX-UHFFFAOYSA-N 364.426 4.977 0 50 FJAA CCCC(=O)N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 2667182 SNRFHSOCOUZTFJ-OAHLLOKOSA-N 359.684 4.864 0 50 FJAA CSc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 2856061 JXQZHTBZVILEGQ-UHFFFAOYSA-N 362.951 4.560 0 50 FJAA COc1cc(C)ccc1OCCCOc1ccccc1Br 2984190 DAEBCZOMBPEOFI-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA CC(=O)Oc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 22015172 XRPHMQJAGHPBFP-UHFFFAOYSA-N 358.441 4.637 0 50 FJAA CN(Cc1nc2ccccc2o1)Cc1cnc(Nc2ccccc2)s1 23367727 NHRQKHMTHBSOIV-UHFFFAOYSA-N 350.447 4.660 0 50 FJAA CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCCCC(=O)O 35876759 JUBMLVBCKBUAQW-MAJZGGHCSA-N 362.510 4.715 0 50 FJAA in-vitro CCc1ccc2nc(C)cc(C(=O)N3CCCC[C@@H]3c3cccnc3)c2c1 72161404 FKMNMIPDOUSSSP-JOCHJYFZSA-N 359.473 4.868 0 50 FJAA COc1ccc(OC(C)C)c(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1 252489689 JWYNOKDRYRADIM-HNNXBMFYSA-N 374.403 4.677 0 50 FJAA COc1cccnc1-c1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1 426623046 QVHGVUNLSZWCFM-FQEVSTJZSA-N 373.456 4.520 0 50 FJAA CCN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 1875332194 LEMGPCZHOPKOBP-UHFFFAOYSA-N 371.440 4.598 0 50 FJAA CC[C@H](c1ccc(-c2cccc(-c3ccncc3)c2)cc1)N1CCNCC1 1875346988 GQJZSHLLAOJRSW-XMMPIXPASA-N 357.501 4.772 0 50 FJAA CCOC(=O)c1c(-c2cccnc2)nc2ccc(Br)cc2c1C 1875360943 MPXWRJPFXWKAET-UHFFFAOYSA-N 371.234 4.544 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2ccccc12 1049793 LXRQVKGHGTXAKN-UHFFFAOYSA-N 359.834 4.984 0 50 FJAA Cc1ccccc1C(=O)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1 1977895 QECYTSOHSSLCGJ-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA CCn1ncc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)c1C 2732952 PAEHZCVMKPVOQG-UHFFFAOYSA-N 364.518 4.611 0 50 FJAA CCOc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccccc1 2835621 PXGWNWZIFQRJCW-UHFFFAOYSA-N 361.441 4.594 0 50 FJAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1Br 2858962 NDETUTYSZCUJIP-ZDUSSCGKSA-N 362.267 4.980 0 50 FJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(C(C)C)on1 8592883 PJNOSFUPMODANO-UHFFFAOYSA-N 372.856 4.565 0 50 FJAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)C1=CCCCC1 12744770 OZYWEAXEHYRCFX-UHFFFAOYSA-N 374.956 4.553 0 50 FJAA COc1ccc(OCCN2CCC(CCCc3ccccc3)CC2)cc1 96027236 OANHLRHQXQWPCY-UHFFFAOYSA-N 353.506 4.809 0 50 FJAA O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cc(Cl)cc2c1Cl 232314163 ZDFYHWKUNSPBFJ-UHFFFAOYSA-N 374.195 4.653 0 50 FJAA C[P@](=O)(c1ccccc1)[C@@H](c1ccccn1)[P@](C)(=O)c1ccccc1 254714418 WTZNUBAJGIFJLY-BBEFWCPCSA-N 369.341 4.717 0 50 FJAA CC(=O)N1C[C@H](CCc2nc(-c3ccc(Cl)s3)no2)c2ccccc21 952845637 JNOXWVRYCFHKNO-LBPRGKRZSA-N 373.865 4.534 0 50 FJAA COc1ccccc1Nc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C)cc1 1443252314 SUUWTUGDZDBGQL-UHFFFAOYSA-N 362.433 4.600 0 50 FJAA C[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2ccncc2)cc1 1875262760 GKGIMNWXBSBZTC-KRWDZBQOSA-N 354.457 4.990 0 50 FJAA O=C(Nc1ccc(F)c(O)c1F)[C@@H](Cc1ccccc1)c1ccc(F)cc1 1875343481 KSKSIQCBZVEIFJ-INIZCTEOSA-N 371.358 4.775 0 50 FJAA Cc1ccccc1CCN1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 1875345267 UCDRYBIQRMJYIV-UHFFFAOYSA-N 363.501 4.636 0 50 FJAA O=C1C[C@H](c2cccc(Cl)c2Cl)c2c(c3ccccc3oc2=O)O1 1426880 XMKJOSCDTNOGNK-LLVKDONJSA-N 361.180 4.541 0 50 FJAA CCN(CC)C(=O)c1c(-c2ccccc2)csc1NC(=O)CC(C)C 2840763 YCSHHDGXYMDRKD-UHFFFAOYSA-N 358.507 4.882 0 50 FJAA COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1 2846292 KHKOHMSVAJFFNX-UHFFFAOYSA-N 369.468 4.838 0 50 FJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 11952359 KOSZOQJGZRXALI-ZDUSSCGKSA-N 357.841 4.592 0 50 FJAA Cc1ccc(-c2cn3c(C(=O)N4CCCCCCC4)csc3n2)cc1 12434331 HZOTYNRJWIOOIW-UHFFFAOYSA-N 353.491 4.778 0 50 FJAA O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c(-c3ccco3)ccnc12 13644359 JQSWUTANOCMXEW-UHFFFAOYSA-N 373.199 4.548 0 50 FJAA COc1ccc2ccccc2c1CN1CCN(C/C=C/c2ccccc2)CC1 19634328 SBBRSRBSSPJBBW-JXMROGBWSA-N 372.512 4.679 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3c3c(C)noc3C)c2c1 77521540 LRWGBEWQZNDBNA-HXUWFJFHSA-N 363.461 4.688 0 50 FJAA O=C(Nc1ccc2occc(=O)c2c1)N1CCCCC[C@@H]1c1ccco1 96149735 QNOQMNCIDLZLQE-MRXNPFEDSA-N 352.390 4.535 0 50 FJAA Cc1nc(-c2cc([C@@H](C)N[C@@H](C)c3nnc4n3CCCC4)cs2)cs1 130961015 GGZSAJUIUKGONC-NEPJUHHUSA-N 373.551 4.520 0 50 FJAA c1cncc(-c2nc(Oc3ccc(-n4cccn4)cc3)c3ccccc3n2)c1 301387241 WQXYAYJYFJLIFI-UHFFFAOYSA-N 365.396 4.670 0 50 FJAA CC(C)[C@@H]1N(C(=O)Nc2ccc(-c3csnn3)cc2)CC12CCCC2 333236212 PGHRRQDTFXLVKV-KRWDZBQOSA-N 356.495 4.638 0 50 FJAA C[C@@H](c1ccc(C(=O)Nc2ccc3scnc3c2)o1)N1CCCCC1 952990550 UTELEKTVAAFEGW-ZDUSSCGKSA-N 355.463 4.689 0 50 FJAA Cc1oc2ccc(OC(=O)c3ccc(F)cc3)cc2c1C(=O)OC(C)C 1155636 IESZJGRWNHFCGT-UHFFFAOYSA-N 356.349 4.665 0 50 FJAA biogenic Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 1218580 IAPZEVVXHHFINT-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA CCN(Cc1ccncc1)C(=O)CCCOc1ccc(Cl)cc1Cl 2743313 RIGOVKLHZGANJB-UHFFFAOYSA-N 367.276 4.596 0 50 FJAA COc1ccc(OCCOc2c(C)cc(C)cc2Br)cc1 2984347 YIACOEJVZUYCAV-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA CCOc1ccccc1OCCOc1ccc(Cl)cc1Br 2986881 RGJRBKNTFOJIMC-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA O=S1(=O)C(c2ccccc2)=C[C@@]12CC1c3ccccc3C2c2ccccc21 4973128 ZAJRIXIULNIHDU-FOJYNEPKSA-N 370.473 4.876 0 50 FJAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(F)c(F)cc1Cl 13326081 FIUFXLWFRSRDPG-UHFFFAOYSA-N 364.823 4.856 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1cccc(F)c1 36620334 HHTGLJYYWGOLAP-SFHVURJKSA-N 354.356 4.597 0 50 FJAA Clc1cccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 55544061 PVPSHRDOOXYSOS-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA CCCCn1ccnc1C1CCN(C(=O)c2cc(Cl)ccc2C)CC1 91754756 MYWUMLRRUGBDFK-UHFFFAOYSA-N 359.901 4.665 0 50 FJAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 229890262 FMAUFLZCNHINFW-BVOGOJNSSA-N 367.489 4.586 0 50 FJAA CCCO[C@H]1CCCN(C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 299768444 VJMRDEHIHWEYCY-IBGZPJMESA-N 368.477 4.785 0 50 FJAA CC(C)C[C@H](NC(=O)c1ccc2cccc(Cl)c2n1)c1cccnc1 821004168 SCVFMFVEAAMBEK-SFHVURJKSA-N 353.853 4.800 0 50 FJAA Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)c1 707366 QHAWHMMPHLFONB-JOCHJYFZSA-N 372.424 4.803 0 50 FJAA Cc1cc(C)cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 1146018 CBQXJMMYSIIXPS-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA Cc1ccc(C(=O)c2cccc(NC(=O)COc3ccccc3)c2)cc1C 1175568 ATIQMONYBRDISJ-UHFFFAOYSA-N 359.425 4.552 0 50 FJAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 2737371 XMVDJOFTRXAXHF-ZDUSSCGKSA-N 371.502 4.999 0 50 FJAA Sc1nnc(CCc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 6402861 HKJHJIDRLQPTEZ-UHFFFAOYSA-N 350.274 4.648 0 50 FJAA Cn1c(CSc2nc3cc(Br)ccc3[nH]2)nc2ccccc21 6530786 WUNJIISHOMYHOP-UHFFFAOYSA-N 373.279 4.504 0 50 FJAA COc1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1F 12196106 AEBASZHZUILGRX-MRXNPFEDSA-N 361.844 4.583 0 50 FJAA Cc1ccc(N(C)C)cc1NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 426531583 KNYYJWBQZRGRCG-UHFFFAOYSA-N 362.477 4.739 0 50 FJAA Cc1cccc(Oc2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)c1 1506417546 JQIUETWDHPFZEJ-IBGZPJMESA-N 353.462 4.819 0 50 FJAA COC(=O)C(C)(C)c1[nH]c(=NCC2CCC(C(C)(C)C)CC2)sc1C 1875332796 KTTLAFVJGQUVJD-UHFFFAOYSA-N 366.571 4.588 0 50 FJAA CC(C)(C)O[C@@H]1C[C@H](CNC(=O)[C@]2(c3ccccc3)CC2(C)C)C1(C)C 1875404955 FQJWQHPPFNGNQC-PMAPCBKXSA-N 357.538 4.700 0 50 FJAA FC(F)(F)c1cc2c(Nc3cccc([C@H]4CC4(F)F)c3)nccn2n1 1875407937 KLWDLCAMHHAVSK-LLVKDONJSA-N 354.282 4.614 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 675569 OEVFYUSZICZBCP-UHFFFAOYSA-N 362.454 4.914 0 50 FJAA COc1cccc(NC(=O)CCSc2cc(C)c3ccccc3n2)c1 1128401 BDUZTWYUPQCFDC-UHFFFAOYSA-N 352.459 4.673 0 50 FJAA O=C(CSc1ccccc1)Nc1ccc(Br)c(Cl)c1 2853861 SCXBYPXKMQCHMR-UHFFFAOYSA-N 356.672 4.833 0 50 FJAA COc1ccccc1NC(=S)Nc1ccc(Br)c(C)c1 2855583 QPCALKJXVUHNSQ-UHFFFAOYSA-N 351.269 4.575 0 50 FJAA O=C(O)c1cc(Br)ccc1OCc1c(F)cccc1Cl 11860423 IHLFIVUFVCBOLW-UHFFFAOYSA-N 359.578 4.519 0 50 FJAA Cc1cccc(-c2noc(CN(C)C(=O)Nc3cccc4ccccc34)n2)c1 12654093 RUQBWZGVKANOGF-UHFFFAOYSA-N 372.428 4.862 0 50 FJAA Cc1cc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)ccc2o1 14948906 RNYUQUJTLHSKFN-LJQANCHMSA-N 352.409 4.597 0 50 FJAA c1cncc(CN(Cc2ccsc2)Cc2cccc(Cn3cccn3)c2)c1 55211740 AQBWEWYAPJSAMY-UHFFFAOYSA-N 374.513 4.590 0 50 FJAA Cc1cccnc1CN1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 67739421 ONHWMUYUUYIZOP-UHFFFAOYSA-N 373.378 4.622 0 50 FJAA O=C(O[C@H](c1ccc(Br)cc1)C1CC1)[C@H]1C[C@@H]1c1ccco1 222066231 YQBPAMOYCMYTSO-ZOBUZTSGSA-N 361.235 4.840 0 50 FJAA O=C(Cc1ccon1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 469199407 ORODYLICOGUZSF-UHFFFAOYSA-N 361.426 4.646 0 50 FJAA C[C@H](N=c1[nH]c(Cl)cc2ccccc12)c1ccc(NC(=O)C2CC2)cc1 1875337451 UVCZSIYFVXCRDV-ZDUSSCGKSA-N 365.864 4.832 0 50 FJAA Cc1ccc(NC(=O)c2ccc(I)cc2)cc1Cl 1219394 QHZFFFWZLGNLGI-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA CCc1cc(OCCCCOc2ccc(C=O)cc2OC)ccc1Cl 2983564 LNYLDYVRZBFPHO-UHFFFAOYSA-N 362.853 4.962 0 50 FJAA C[C@@H]1C[C@@H](C)CN(CCOCCOc2cccc(Oc3ccccc3)c2)C1 4914604 AKMNCHYPLKUWEV-WOJBJXKFSA-N 369.505 4.852 0 50 FJAA CC(C)CCN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc12 63882274 QBRZQJGSXRESOY-UHFFFAOYSA-N 364.493 4.797 0 50 FJAA CCN1C[C@@H](n2cnc(-c3ccccc3)c2-c2ccc3occc3c2)CC1=O 65404888 VQOVQFSQNKTRBX-IBGZPJMESA-N 371.440 4.757 0 50 FJAA CCc1nc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cs1 71748282 KAIJPVJJLNCBOI-OAHLLOKOSA-N 357.306 4.586 0 50 FJAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ccc5occc5c4)C3)nc12 91646074 PQGSTRQYRPZGEF-KRWDZBQOSA-N 359.429 4.637 0 50 FJAA O=C1CC[C@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc21 328794340 BKWIDABBWVMRCO-FQEVSTJZSA-N 372.468 4.634 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 675063 ZPWWWZJKILQOTG-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA Cc1ccc([C@@H](CC(=O)NCCc2ccccc2)c2ccccc2)c(O)c1C 2224182 LCGXJJBSHZWGRK-QHCPKHFHSA-N 373.496 4.890 0 50 FJAA Cc1ccccc1Cn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910718 DGBWDMSLSYBESA-GOSISDBHSA-N 361.489 4.507 0 50 FJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C2CCOCC2)C1 12090590 QJGNPEYLTKTDEP-LJQANCHMSA-N 367.464 4.566 0 50 FJAA Cc1ccccc1[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 55569074 USIBCNBUUCZPEZ-QHCPKHFHSA-N 372.447 4.798 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3cccnc23)cc1 77385478 DXTHQNRORSBOGL-QFIPXVFZSA-N 373.500 4.664 0 50 FJAA COc1ccccc1-c1ccc(C(=O)N(C)Cc2cc(C(C)C)on2)cc1 219436821 KADSYKMZYGPFTD-UHFFFAOYSA-N 364.445 4.746 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@@H]32)c1 245297624 VHTCQRPKUANPBY-CSVZPYAESA-N 355.478 4.971 0 50 FJAA O=C(NCc1cccc2[nH]ccc12)N(Cc1ccsc1)C1CCCC1 426594795 HOQLQUVUSQZGHL-UHFFFAOYSA-N 353.491 4.884 0 50 FJAA O=C(Cc1c[nH]c2ccccc12)N1CCc2oc(-c3ccccc3)cc2C1 1875306548 JZKURPYQVDAOOL-UHFFFAOYSA-N 356.425 4.555 0 50 FJAA CCCc1nc(C(=O)Nc2cc(C)nn2Cc2cccc(Cl)c2)cs1 1940196066 HSOVPPPCNZSBSZ-UHFFFAOYSA-N 374.897 4.555 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 806006 RCXVDJUAWNIINU-UHFFFAOYSA-N 355.397 4.964 0 50 FJAA O=c1c2c([nH]c(=S)n1Cc1ccccc1)-c1ccccc1CC21CCCC1 1866861 ZCEIZURBNLSZDA-UHFFFAOYSA-N 374.509 4.989 0 50 FJAA COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Cl)c1O 2885035 KUROBGYLPHCKRP-AWEZNQCLSA-N 353.805 4.682 0 50 FJAA CC(C)(C)C1CCC(OC(=O)CCCC(=O)NCCc2ccccc2)CC1 4689344 LYEJNXXXVAUDRC-UHFFFAOYSA-N 373.537 4.664 0 50 FJAA Cc1n[nH]c(C)c1Cn1cnc(-c2ccccc2)c1COCc1ccccc1 67490092 XHOMAZLWQBCYMA-UHFFFAOYSA-N 372.472 4.655 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)[C@H](c3ccccn3)C3CC3)c2c1 67803462 WDHQPOHROIMBHP-QHCPKHFHSA-N 361.489 4.640 0 50 FJAA O=C(Nc1ccnn1Cc1cccs1)N1CCCCC[C@H]1c1ccco1 96136146 PEIAUCVHVRCKSM-INIZCTEOSA-N 370.478 4.735 0 50 FJAA Fc1ccc(-c2cnc(SCc3ccn(-c4ccccc4)n3)[nH]2)cc1 170604884 VFFRPSXZIMGKOV-UHFFFAOYSA-N 350.422 4.694 0 50 FJAA CC(C)c1c(NCc2nc(C3CC3)no2)cnn1-c1ccccc1Cl 192726281 OMIIZCBIOJAZNL-UHFFFAOYSA-N 357.845 4.522 0 50 FJAA COc1cccc(Oc2ccc(NC(=O)c3cccc4cc[nH]c34)cn2)c1 824787722 HHSDTDKHJHXCCK-UHFFFAOYSA-N 359.385 4.616 0 50 FJAA Cc1nc(Oc2ccc3c(C)cc(=O)oc3c2)c2c3c(sc2n1)CCC3 628437 QUFNZLDVJWVRLV-UHFFFAOYSA-N 364.426 4.696 0 50 FJAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 688708 HJNQRQRYLIRIOK-KRWDZBQOSA-N 352.459 4.915 0 50 FJAA CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1 826052 HAHPLKLXJZZOOZ-UHFFFAOYSA-N 361.397 4.703 0 50 FJAA CC(C)(C)c1ccc(CN2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 1058425 KZDCAAUYWZQKRT-RUZDIDTESA-N 371.480 4.834 0 50 FJAA O=c1oc2cc(OCc3ccc(F)cc3F)ccc2cc1-c1ccccn1 1094871 MDIXPAFNENGCCO-UHFFFAOYSA-N 365.335 4.712 0 50 FJAA biogenic Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 1174087 HQHPUBICWSRHAG-CQSZACIVSA-N 370.518 4.559 0 50 FJAA Cc1ccc(-c2noc(COc3ccc(Br)c(C)c3)n2)cc1 1185301 DCTYSNVCXVTZCK-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)cn1 1185564 KVNKNUFREBVOOB-QHHAFSJGSA-N 372.049 4.803 0 50 FJAA COc1ccc(CSc2nnc(SCC(=O)C(C)(C)C)s2)cc1 1300944 DWOWUEDCAGIZCB-UHFFFAOYSA-N 368.549 4.546 0 50 FJAA CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 2846208 OVRDVOPGZCLDNB-GFCCVEGCSA-N 358.438 4.966 0 50 FJAA COc1ccccc1CN(Cc1cccnc1)Cc1c[nH]c2ccccc12 55042564 VMSRZPONNQICLV-UHFFFAOYSA-N 357.457 4.774 0 50 FJAA Cc1ccc(Sc2ccc(CN3CCC[C@@H](c4n[nH]c(C)n4)C3)o2)cc1 215581725 LUBBOSQQBYOBCO-MRXNPFEDSA-N 368.506 4.545 0 50 FJAA COc1ccc(C2=NN3[C@H](C(C)C)Oc4ccc(Cl)cc4[C@H]3C2)cc1 245264366 CYHQCUBKDGXDQN-QUCCMNQESA-N 356.853 4.874 0 50 FJAA O=C(NC[C@H]1CCCc2ccccc21)C1(Cc2cccc(F)c2)CCC1 1358073888 CJXQNTXHOFNNGA-LJQANCHMSA-N 351.465 4.775 0 50 FJAA Cc1nccn1-c1ccc(F)cc1CN[C@H](C)c1cnc2ccsc2c1 2325742625 VIUAAIHNOFZQMA-CYBMUJFWSA-N 366.465 4.780 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl 1152280 FQACLHUHCIBUIN-UHFFFAOYSA-N 358.869 4.656 0 50 FJAA Nc1nc(SC/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 1816485 ZCGUCMZCTMAMSA-RMKNXTFCSA-N 353.516 4.958 0 50 FJAA Cc1ccc2nc(-c3ccc(-c4ccccc4C(=O)O)o3)cc(C(=O)O)c2c1 2709851 YQYKWVRIQXWHRT-UHFFFAOYSA-N 373.364 4.867 0 50 FJAA CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)cn1 2733918 VMWGTWACPTYNBA-UHFFFAOYSA-N 371.366 4.631 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)ccc1Cl 2841618 QJMUFOCELLNAIM-UHFFFAOYSA-N 372.896 4.652 0 50 FJAA COc1cc(C)ccc1OCCOCCSc1ccc(Cl)cc1 2985109 FNNSFNZBFQMLGT-UHFFFAOYSA-N 352.883 4.845 0 50 FJAA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1 20601078 GVOOJMWBHUVLIA-FQEVSTJZSA-N 361.489 4.773 0 50 FJAA COc1cccc([C@H](C)N(C)C(=O)c2cc3cccc(Cl)c3n2C)c1 97694870 TYRLJNBOQKOHOC-ZDUSSCGKSA-N 356.853 4.674 0 50 FJAA COCc1ccccc1NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 252491764 LSMWXZJMIKBIEW-AWEZNQCLSA-N 360.404 4.523 0 50 FJAA O=C(NCCCOC1CCCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1 584885331 GFSZMOIXOACNBN-UHFFFAOYSA-N 369.509 4.581 0 50 FJAA Cc1nn(C2CCCCC2)cc1CNc1cccc([C@@H]2CCCC(=O)N2)c1 1875290759 CBKZLGICXDHUCZ-NRFANRHFSA-N 366.509 4.650 0 50 FJAA Cc1c(CNCc2cnc(C(C)(C)C)[nH]2)noc1-c1ccc(Cl)cc1 2325809858 UWFVEXMFIJKSJP-UHFFFAOYSA-N 358.873 4.614 0 50 FJAA O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(Br)o1 991781 LSXLDJOTUXVOAA-UHFFFAOYSA-N 357.203 4.852 0 50 FJAA O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)s1 1055069 VOMVGESEQIDZMP-UHFFFAOYSA-N 372.313 4.662 0 50 FJAA CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)cc1Cl 1134048 FDKGZLLBZIZLBM-UHFFFAOYSA-N 370.232 4.662 0 50 FJAA COc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2C)cc1OC 1170012 VEMSLKIFMOZSFI-UHFFFAOYSA-N 368.458 4.696 0 50 FJAA O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 1205907 DNYRUFUUHYNARF-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA O=C1C[C@@H](c2ccccc2)Sc2nc(-c3cccc4ccccc34)nn21 2694729 WETKSGALUKXELJ-SFHVURJKSA-N 357.438 4.976 0 50 FJAA O=C(/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1Cl 4542916 OQJJHKNYOCNNPM-QPJJXVBHSA-N 354.606 4.894 0 50 FJAA COc1ccc(NC(=S)Nc2ccc(Br)cc2)c(C)c1 5798717 YZNKJHXKRQXTJN-UHFFFAOYSA-N 351.269 4.575 0 50 FJAA Cc1cccc(-c2cccc(N3CCC(N(C)Cc4cnccn4)CC3)c2)c1 20774799 WFBDEWOAMKKICH-UHFFFAOYSA-N 372.516 4.553 0 50 FJAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 33087347 BDKPLJFJIDWCKO-CQSZACIVSA-N 351.809 4.707 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)cn1 170596851 YDBSRVRLMLUNBH-INIZCTEOSA-N 350.487 4.700 0 50 FJAA COCCN(Cc1ccccc1Cl)C(=O)c1[nH]c2c(F)cccc2c1C 215888544 QBDJJXDADPTSSS-UHFFFAOYSA-N 374.843 4.558 0 50 FJAA Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(Cl)nc(Cl)c2)cc1 742013664 LHGZLPUYTPACMD-UHFFFAOYSA-N 351.277 4.747 0 50 FJAA Cc1cc(C(=O)Nc2cccc(F)c2)nn1-c1ccc(Cl)c(Cl)c1 1350496317 HCYBQPIXIHEKLW-UHFFFAOYSA-N 364.207 4.879 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]21 1704340078 SWYJKZLGDYQBFB-UNWVZKJWSA-N 364.489 4.759 0 50 FJAA Cc1cc2oc(=O)c3c(c2c(O)c1-c1ccn(-c2ccccc2)n1)CCCC3 2084329438 DKDNUUSJFUZIEU-UHFFFAOYSA-N 372.424 4.539 0 50 FJAA O[C@H](COc1ccccc1Cl)Cn1c2ccccc2c2ccccc21 624288 SONJCMFDSVOLFH-HNNXBMFYSA-N 351.833 4.888 0 50 FJAA C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1F)c1ccccc1 1081649 MHGDXMMPPWBECJ-HNNXBMFYSA-N 362.404 4.569 0 50 FJAA O=C(Nc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 1246629 PHYLHWVXUHRPDP-UHFFFAOYSA-N 360.439 4.614 0 50 FJAA COc1ccc(CNCC[C@H](c2ccccc2)c2ccco2)cc1OC 1795597 KLMDJZOUXBMXPS-LJQANCHMSA-N 351.446 4.609 0 50 FJAA CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 2052057 CCEMLOMNSARIMW-UHFFFAOYSA-N 373.412 4.931 0 50 FJAA Nc1c(-c2ccccc2)cnc2c(-c3ccccc3)c(C(F)(F)F)nn12 2471603 RXGMELIHEFTIAJ-UHFFFAOYSA-N 354.335 4.664 0 50 FJAA Cc1ccc(C)c2sc(NC(=O)c3ccccc3Br)nc12 2713891 NTUOUFJMWZEAPV-UHFFFAOYSA-N 361.264 4.928 0 50 FJAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO 4557101 WECGLUPZRHILCT-GSNKCQISSA-N 354.531 4.696 0 50 FJAA endogenous,in-man CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCc3ccccc32)c1 4740452 NLHOFUZHWWPRDO-UHFFFAOYSA-N 350.462 4.654 0 50 FJAA Cc1ccc(SCCNC(=O)CSc2ccc(Cl)cc2)cc1 4839022 VVSYOFMVLUMIKA-UHFFFAOYSA-N 351.924 4.649 0 50 FJAA Cc1ccc(CN(C)CC2CCN(CCc3ccccc3F)CC2)s1 12054547 PUIWOAPUAONLHV-UHFFFAOYSA-N 360.542 4.582 0 50 FJAA CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccc(Cl)cc1 13686050 AFYBHMPWDYDPFU-UHFFFAOYSA-N 365.868 4.723 0 50 FJAA CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 32266443 QQOMYEQLWQJRKK-UHFFFAOYSA-N 350.506 4.527 0 50 FJAA in-man FC(F)(F)COc1ccccc1OCc1csc([C@H]2CCCO2)n1 153228315 FHTKPZGOIAOAIJ-CQSZACIVSA-N 359.369 4.515 0 50 FJAA O=c1[nH]c(CSCc2ccc(Cl)cc2)nc2c1oc1ccccc12 170095352 DJHIKDUIDJOZBX-UHFFFAOYSA-N 356.834 4.756 0 50 FJAA O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN=C1c1cccc(Cl)c1 170280778 WWKBEGAMYINYMV-UHFFFAOYSA-N 368.651 4.941 0 50 FJAA CC[C@H](NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccc(C)n1 670462950 SVQMRDFFPTWTHW-IBGZPJMESA-N 362.477 4.697 0 50 FJAA FC(F)(F)c1cccc([C@@H](NCc2nnc(C3CCC3)o2)C2CC2)c1 952845342 WHZYFWYTKNRDIL-INIZCTEOSA-N 351.372 4.597 0 50 FJAA COc1ccc(Sc2ccc(NC(=O)/C=C/c3cncs3)cc2)cc1 2325748789 OUCPNJIMOZRLCU-ZHACJKMWSA-N 368.483 4.955 0 50 FJAA Cc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 724369 AOCRSZMBEANRTQ-UHFFFAOYSA-N 360.482 4.640 0 50 FJAA COC(=O)[C@]1(C)CC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1(C)C 910523 PHFJOKJPCMCBQR-DIFFPNOSSA-N 358.265 4.547 0 50 FJAA Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2Br)cc1 1147040 PWHNNXGRKQVWFF-GFCCVEGCSA-N 350.281 4.877 0 50 FJAA COc1cc(OC)c(NC(=O)c2ccc(OCC(C)C)cc2)cc1Cl 4868714 OLZULMMMAUMNCM-UHFFFAOYSA-N 363.841 4.644 0 50 FJAA Cc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1cccs1 4953561 JEVQXSMEFZNFCO-FOWTUZBSSA-N 368.483 4.528 0 50 FJAA CCc1cc2c(=O)c(-c3nc(C)cs3)c(C(F)(F)F)oc2cc1O 5902653 LOHCVBNDPMLCEK-UHFFFAOYSA-N 355.337 4.512 0 50 FJAA CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=N)oc2c1 6517596 YSOXFTFGLBIMBK-UHFFFAOYSA-N 363.461 4.628 0 50 FJAA C[C@@H](NC(=O)c1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2 17075550 DBFMPAJOWQHKBE-LKBWSCCASA-N 368.340 4.845 0 50 FJAA Cc1ccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 19300635 OBANDSKBWSHPTK-LJQANCHMSA-N 353.441 4.716 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3CC[C@H]3c3cccc(OC)c3)o2)cc1 65403441 FWLLPLREIDGTOU-IBGZPJMESA-N 363.413 4.551 0 50 FJAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1Cn1cnc(C2CC2)n1 67886492 DXMLIZSZJDUCDV-UHFFFAOYSA-N 372.428 4.960 0 50 FJAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@H](c1ccccc1)C1CC1 193134735 DSSKENGOYCTYSB-LJQANCHMSA-N 374.406 4.697 0 50 FJAA CC(C)n1ccnc1-c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 299776895 MUYMHMGZJIGOED-UHFFFAOYSA-N 365.502 4.997 0 50 FJAA CCN(Cc1ccncc1)C(=O)c1ccc(-c2cc(C)c(C)c(C)n2)cc1 534590791 YOGBMNWSBLXRGL-UHFFFAOYSA-N 359.473 4.731 0 50 FJAA Cc1cc(F)cc(CO)c1-c1cccc(Oc2ccccc2C(=O)O)c1 1875338852 NXVRKAOGWDTGBC-UHFFFAOYSA-N 352.361 4.784 0 50 FJAA Cc1nc(-c2ccc(OC(=O)C(C)(C)c3cccnc3)c(F)c2)cs1 2325731155 ZFCMASIUQVNXBC-UHFFFAOYSA-N 356.422 4.536 0 50 FJAA CC1(C)[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@@]1(C)C(=O)O 705228 ULXQSQPKEUJAQQ-GCJKJVERSA-N 366.461 4.896 0 50 FJAA COc1cc(C=O)ccc1Oc1ncnc2sc(-c3ccccc3)cc12 715234 CBWKYROPGZCLQC-UHFFFAOYSA-N 362.410 4.972 0 50 FJAA COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 1053556 SJZAMVPJINKQDT-UHFFFAOYSA-N 361.397 4.580 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 1218163 ISARAMQVHYVQEF-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2058680 AMWLLFDDCHARJY-UHFFFAOYSA-N 356.516 4.828 0 50 FJAA O=C(Nc1ccccc1Sc1ccccc1)[C@H]1COc2ccccc2O1 2855933 MQXBCMZLBFASQV-LJQANCHMSA-N 363.438 4.616 0 50 FJAA CC(=O)c1cccc(NC(=O)Nc2ccc(Br)c(Cl)c2)c1 2857823 LPRLZEPAJYRTCA-UHFFFAOYSA-N 367.630 4.949 0 50 FJAA Fc1ccc(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)o2)cc1 2860625 RAUVMHVRHUGMTI-UHFFFAOYSA-N 362.389 4.919 0 50 FJAA CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 2865357 XEDMFSGWJXFPLL-SJORKVTESA-N 350.462 4.500 0 50 FJAA O=[S@@](Cc1ccc(Cl)cc1)CC(O)(c1ccccc1)c1ccccc1 4002093 CYSLJWHMRDKNBJ-RUZDIDTESA-N 370.901 4.525 0 50 FJAA CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 4700161 DZVYDNXWBANDAH-UHFFFAOYSA-N 370.924 4.601 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(Cl)c2)s1 6604130 JNICSMATIIOEOP-UHFFFAOYSA-N 354.884 4.559 0 50 FJAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 77542149 YNSFJQLWRNVVRC-MRXNPFEDSA-N 373.855 4.533 0 50 FJAA COc1cccc2c1O[C@@H](C(C)C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 100738504 XVUKEUKQVQDVTF-XLIONFOSSA-N 356.853 4.874 0 50 FJAA CC1(C)CCc2ccccc2[C@@H](Nc2ccc3nnc(C(F)F)n3n2)C1 225644994 WZAGWZGRDUKZPW-AWEZNQCLSA-N 357.408 4.578 0 50 FJAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1c(F)cccc1Cl)N2 239403212 RQAYLZVUULMIHY-ZKIYCNIBSA-N 371.839 5.474 0 50 FJAA O=C(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 252486122 HHNANNMRBKMVHS-SFHVURJKSA-N 350.805 4.925 0 50 FJAA C[C@H](NC(=O)c1snc(O)c1Cl)c1ccc(Oc2ccccc2)cc1 253404734 DPHSKGSEDDIHLG-NSHDSACASA-N 374.849 4.785 0 50 FJAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H]1[C@@H]1CCCc2ccccc21 372039730 VLCHKGGBBXCNBP-MOPGFXCFSA-N 365.477 4.977 0 50 FJAA O=C(Nc1cn(CC2CC2)cn1)[C@@H](CCc1ccccc1)c1ccccc1 1875337849 HIIUWEDGSZJVOP-NRFANRHFSA-N 359.473 4.648 0 50 FJAA O=C1CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)c(F)cc2N1 2325707349 IILWOOXOKSHYGJ-UHFFFAOYSA-N 357.385 4.717 0 50 FJAA CN(C[C@H](O)c1ccc(Cl)cc1Cl)C1CCC(C(F)F)CC1 2325855816 PYUBPXMHPFDNJW-QHAMSDLMSA-N 352.252 4.783 0 50 FJAA COc1ccc(C)cc1NC(=O)Oc1cc(C)c(C)cc1Br 640839 GYMGEPWNRUIKNV-UHFFFAOYSA-N 364.239 4.994 0 50 FJAA O=C(Nc1cc(F)ccc1F)Nc1ccccc1C(=O)c1ccccc1 641364 RHBFLCWDWKMWFO-UHFFFAOYSA-N 352.340 4.840 0 50 FJAA C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1Br 821199 GSBJZFSORHZNLV-LBPRGKRZSA-N 350.281 4.710 0 50 FJAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2Cl)c1 2053687 ZPNRGMBSZWGLSE-UHFFFAOYSA-N 362.882 4.646 0 50 FJAA O=C(CCc1ccccc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 2850652 JIJVHCDXZNNEOQ-UHFFFAOYSA-N 369.424 4.975 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1)Nc1ccccc1-2 2878572 WDXJUQHLPMQZJE-KRWDZBQOSA-N 368.437 4.683 0 50 FJAA COc1ccc(OCCOC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2983220 SFVFLLDBHLYIBT-UHFFFAOYSA-N 356.205 4.630 0 50 FJAA CCOc1cccc(OCCCOc2cccc(Br)c2)c1 2983616 YYFNAVJJFGYTHE-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2cccc(Cl)c2)c(OC)c1 2991166 BKXPZNPTEWOLKB-HWKANZROSA-N 362.853 4.856 0 50 FJAA COc1ccc(/C=C\C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 5907487 NEEKZJSLFKUTTA-WDZFZDKYSA-N 371.396 4.550 0 50 FJAA O=C(c1cc(Br)cs1)N1CCC(Cc2ccccc2)CC1 5942109 DBTWMKPUQLBOMS-UHFFFAOYSA-N 364.308 4.606 0 50 FJAA O=C(CCC1CCN(C[C@@H]2CC=CCC2)CC1)NCc1cccc(Cl)c1 12314742 GWAOZRGPDWLTSL-LJQANCHMSA-N 374.956 4.805 0 50 FJAA O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1C[C@@H]2CCC[C@H]1C2 12705441 YWPBKIMOIOSVDW-MJGOQNOKSA-N 360.457 4.628 0 50 FJAA CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13330019 JVCGQUWQLUJQMA-NSHDSACASA-N 358.290 4.595 0 50 FJAA Cc1ccccc1Cn1ccc(NC(=S)Nc2cccc(C)c2C)n1 13331056 IEJSKDHCPSDBFB-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA CCOc1ccccc1NCc1nnc(-c2cccc(Br)c2)o1 132787703 CXKDWHPMGWREAA-UHFFFAOYSA-N 374.238 4.510 0 50 FJAA CC[C@H](C)NC(=O)c1cc(NC(=O)[C@H](C)c2ccccc2)ccc1Cl 230511870 VHWWZAXARPKOKN-UONOGXRCSA-N 358.869 4.611 0 50 FJAA CCCOc1ccc(C(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)cc1Cl 1704304951 NKWFGRANDDYTKH-QUCCMNQESA-N 365.901 4.550 0 50 FJAA Cc1ccc2cc(COC(=O)C(C)(C)c3cccnc3)c(Cl)nc2c1C 2325730445 JDWIMKAFEWFNGK-UHFFFAOYSA-N 368.864 4.921 0 50 FJAA O=C(Nc1cccc(Cl)c1Cl)C(O)(c1ccccc1)c1ccccc1 842503 IQMCMEHUEBQDRA-UHFFFAOYSA-N 372.251 4.868 0 50 FJAA O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2c3c(ccc12)OCO3 1155925 IYRVAHWBHYOTEU-UHFFFAOYSA-N 368.694 4.861 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 1156421 DYLMSUSWCUPQKB-UHFFFAOYSA-N 362.882 4.809 0 50 FJAA Cc1cc(OCc2ccc(C(=O)NOCc3ccccc3)o2)ccc1Cl 2794825 QPCAKNVNOKGVPP-UHFFFAOYSA-N 371.820 4.682 0 50 FJAA O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 2981993 KKOSZILXIHNFLX-UHFFFAOYSA-N 353.226 4.914 0 50 FJAA COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)CC2=O 5158942 JYESOAFLKFHYHP-SFHVURJKSA-N 352.430 4.919 0 50 FJAA biogenic,in-vitro O=[N+]([O-])/C=C\c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 5336999 MIWZVTLHQHDWDI-WAYWQWQTSA-N 367.714 4.945 0 50 FJAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC2)cc1F 11842852 LXKMKACRLNBGQO-UHFFFAOYSA-N 365.452 4.591 0 50 FJAA Cc1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 12305237 OYONVECLHQWXFP-HXUWFJFHSA-N 360.505 4.687 0 50 FJAA Cc1cccnc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1F 12308453 GCIVZNFFMWIPMS-HXUWFJFHSA-N 362.448 4.710 0 50 FJAA C=Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc1 12457180 UWLOAOIOEXFCMM-GOSISDBHSA-N 365.498 4.787 0 50 FJAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 12467680 WDSCCIPHNPNLQA-INIZCTEOSA-N 364.514 4.985 0 50 FJAA C[C@H](NC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 13548576 NYFJULIQPSPMGS-HDICACEKSA-N 372.468 4.669 0 50 FJAA Cc1ccc(C(C)C)c(OCc2nnc(S)n2CCc2ccccc2)c1 17075489 LNPGPQUEYBMQGR-UHFFFAOYSA-N 367.518 4.820 0 50 FJAA O=C(O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1 44063069 MPLLLQUZNJSVTK-UHFFFAOYSA-N 368.404 4.914 0 50 FJAA in-vitro Cc1ccc(-c2nc3cc(F)ccc3cc2CN(C)Cc2cnccn2)cc1 72476383 DGLIXGDQDJEKRD-UHFFFAOYSA-N 372.447 4.771 0 50 FJAA C[C@@H](c1ccc(C(=O)NCCCSc2ccccc2)o1)N1CCCCC1 97797676 YSZXSLOHAXCPGV-KRWDZBQOSA-N 372.534 4.739 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C1\C=C(c2ccccc2)Oc2ccccc21 100346018 FXPWEZHONGFEBC-ZBJSNUHESA-N 365.388 4.835 0 50 FJAA COc1cccc(-c2cccc(C(=O)N3CCC(c4ccncc4)CC3)c2)c1 219618233 GFLKAZHKHJHYFL-UHFFFAOYSA-N 372.468 4.777 0 50 FJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 239347206 MKKPUSJWXHOZGO-UPVQGACJSA-N 370.452 5.328 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)c2ccc3ncccc3c2)cn1 952984010 MUXUKRFHLMGJQP-UHFFFAOYSA-N 371.396 4.683 0 50 FJAA O[C@H](CN[C@@H]1CCC[C@H](c2ccccc2)CC1)Cc1cccc(Cl)c1 1875341676 BXRWCYPKDJHJFK-NNWRFLSQSA-N 357.925 4.950 0 50 FJAA COc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 1053787 KNALWEKKKAJFCG-UHFFFAOYSA-N 350.852 4.786 0 50 FJAA O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 1208087 MPCHTSZLRSQDHC-JLHYYAGUSA-N 356.381 4.852 0 50 FJAA CCOc1ccc(OCc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 2752934 YXSKXLLBOGENMA-UHFFFAOYSA-N 353.462 4.536 0 50 FJAA COc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1 2865835 RVOUPJHPZPAHJV-UHFFFAOYSA-N 350.399 4.817 0 50 FJAA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 4279439 ACIWUNFXRUGDAQ-UHFFFAOYSA-N 353.853 4.675 0 50 FJAA Cc1c(C(=O)N2CCC(C)CC2)[nH]c2ccc(OCc3ccccc3)cc12 4728053 YYDWHDXIMPTZIO-UHFFFAOYSA-N 362.473 4.927 0 50 FJAA Fc1ccc2c(c1)nc(C1CCC1)n2C1CCN([C@H]2CCSC2)CC1 14995521 GOKFCBGWHOLZDA-KRWDZBQOSA-N 359.514 4.585 0 50 FJAA COc1ccccc1CCn1cnc(-c2ccccc2)c1-c1cn(C)nc1C 65459991 VZQLLJQPXAZPQJ-UHFFFAOYSA-N 372.472 4.510 0 50 FJAA O=C(NCc1ccn(C2CCCC2)n1)N1CCC[C@@H]1c1ccccc1Cl 152220810 SXSAKUSUUGPULL-LJQANCHMSA-N 372.900 4.698 0 50 FJAA CCCCn1c(SCc2nc(C)cs2)nnc1-c1ccc(OC)cc1 170641685 HKRJALCKGFMZJZ-UHFFFAOYSA-N 374.535 4.811 0 50 FJAA CCCCc1ccc(NC(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772809344 TYZJDOFENGJPBA-UHFFFAOYSA-N 353.466 4.541 0 50 FJAA Fc1ccc([C@H](N[C@H]2CCCCNCC2)c2cnc3ccccc3c2)cc1 2325758830 LXQJLHXRCQEIRH-GMAHTHKFSA-N 363.480 4.585 0 50 FJAA CN(C(=O)c1csc(-c2ccccn2)n1)C1(c2cccc(Cl)c2)CC1 2325827390 DZYTVBYDMLIJDT-UHFFFAOYSA-N 369.877 4.620 0 50 FJAA c1ccc(CCC[C@H]2CCCN2c2nnc(C3CCC3)n2CC2CC2)cc1 2325842331 VCTYYPKRIMUASL-NRFANRHFSA-N 364.537 4.947 0 50 FJAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 1062187 SSVNIOCHVGZPNY-CYBMUJFWSA-N 371.864 4.989 0 50 FJAA CC1(C)Oc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2O1 1158204 MCLWEMXBJGVXNN-UHFFFAOYSA-N 373.408 4.677 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(CCc2ccccc2)s1 1216265 ZIBAONRNAWDDFM-UHFFFAOYSA-N 358.854 4.621 0 50 FJAA O=C(CC1CCCCC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11839158 QYOMXJROUKYIGI-HSZRJFAPSA-N 372.528 4.611 0 50 FJAA COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccc(Cl)cc2)c(F)c1 11936470 JMCKUBPGFBGJCH-GFCCVEGCSA-N 359.832 4.729 0 50 FJAA COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc1F 11937031 CLDIUVSADMIVGB-LJQANCHMSA-N 370.468 4.674 0 50 FJAA COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)cc1F 11937032 CLDIUVSADMIVGB-IBGZPJMESA-N 370.468 4.674 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c12 13642058 VZFZMWHUFANCFL-LALPHHSUSA-N 369.490 4.814 0 50 FJAA CC[C@H](Nc1ncnc2sc(C(=O)NC3CC3)c(C)c12)c1cccs1 14886950 HNFLZEVLBQNFLL-LBPRGKRZSA-N 372.519 4.517 0 50 FJAA Cc1nc([C@H](C)N(C)CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 244796033 RRSQSPPCCFPPOS-JTQLQIEISA-N 369.893 4.574 0 50 FJAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCC(=O)c2ccccc21 285678457 PXWCOIPOKXCQPD-YOEHRIQHSA-N 370.518 4.855 0 50 FJAA CCn1cc(-c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c(C)n1 534647984 MIHVNKKHKSHVJF-QFIPXVFZSA-N 359.473 4.856 0 50 FJAA O=C(CCCC(=O)c1ccccc1)Nc1cccc(CN2CCCCC2)c1 952969846 BTTHBDMGEPTKJN-UHFFFAOYSA-N 364.489 4.664 0 50 FJAA CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CC[C@@H](C)C2 643671 GYWANFDTCMPAFN-GFCCVEGCSA-N 359.447 4.661 0 50 FJAA O=C(Nc1nc2ccc(Br)cc2s1)c1c(F)cccc1F 659490 MHMZAWHKHXTSDE-UHFFFAOYSA-N 369.190 4.589 0 50 FJAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1 1116654 HFVVPLHCJKTSKS-LBPRGKRZSA-N 374.506 4.542 0 50 FJAA aggregator O=C(Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OC(F)F)cc1 1188908 WPAIINDAFCTYOP-UHFFFAOYSA-N 370.277 4.539 0 50 FJAA CCCN(CCC)CCSCC(=O)Nc1cc(Cl)ccc1Cl 2168052 YWPWMFPWIJKOCP-UHFFFAOYSA-N 363.354 4.787 0 50 FJAA Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCC4)cc1C 2859385 DWGQHNODRNCMSY-UHFFFAOYSA-N 354.500 4.772 0 50 FJAA COc1ccc(-n2c(/C=C\c3ccccc3C)nc3ccccc3c2=O)cc1 4725212 AYSBLINDJWQVSI-WJDWOHSUSA-N 368.436 4.873 0 50 FJAA CCC(=O)Oc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 4841666 IMEBQYNWHXKNMG-UHFFFAOYSA-N 360.413 4.998 0 50 FJAA Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 6152256 CMVFSMLOERHLFA-UHFFFAOYSA-N 356.809 4.776 0 50 FJAA CN(Cc1nccs1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 11709056 XUCLCLZKRXFTQJ-SFHVURJKSA-N 370.905 4.977 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H](C)c1cc(-c2ccccc2)[nH]n1 91624772 KTFNXPORGIWATK-AWEZNQCLSA-N 368.506 4.798 0 50 FJAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C12CCCC2 170636774 OFHRAKPDKMYADK-FXUDXRNXSA-N 361.448 4.551 0 50 FJAA Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(F)cc1OCC1CC1 188859213 WHRCYGWAAXZNCB-UHFFFAOYSA-N 360.454 4.584 0 50 FJAA Cc1ccc(-c2ncccc2NC(=O)N2CCC[C@@H]2c2cccn2C)s1 189474473 LCMGNHIBPFMPEM-QGZVFWFLSA-N 366.490 4.826 0 50 FJAA C[C@@H](c1ccccc1Cl)N(C)C[C@H](O)c1ccccc1Br 1473112301 KBTZCALXFSYBSU-SJCJKPOMSA-N 368.702 4.829 0 50 FJAA CC(C)c1noc([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)n1 1529133529 NYNODGZISOTWPT-HNNXBMFYSA-N 358.442 4.797 0 50 FJAA COc1ccccc1C1(CN[C@H]2c3ccccc3OC[C@H]2F)CCCC1 1875336334 XBICYACIUAWYKS-NQIIRXRSSA-N 355.453 4.568 0 50 FJAA Cc1ccc([C@H]2CCCC[C@@H]2C(=O)Nc2ccc3nc(O)oc3c2)cc1 2325862123 JYALGFSWCPSJJW-SJORKVTESA-N 350.418 4.754 0 50 FJAA Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1C 688720 QOZWQFMYHONVDV-UHFFFAOYSA-N 367.452 4.844 0 50 FJAA O=C1C[C@H](c2cc3c(cc2Cl)OCO3)c2ccc3ccccc3c2N1 861058 DTNDSZZOGZGEBD-AWEZNQCLSA-N 351.789 4.696 0 50 FJAA Fc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 1016538 BDXKGGXJHZUCGU-UHFFFAOYSA-N 365.220 4.966 0 50 FJAA Clc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 1147686 KHGLHYDXSHHVSL-UHFFFAOYSA-N 354.866 4.928 0 50 FJAA CC1(C)[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H]1C=C(Cl)Cl 1214298 AGQYUOMNMCLQOF-CMPLNLGQSA-N 363.082 4.979 0 50 FJAA Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1 2912315 IVRZWOKEICTKPT-UHFFFAOYSA-N 367.452 4.951 0 50 FJAA COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1 12385807 IMLIHJJZHIJFOA-GOSISDBHSA-N 355.503 4.512 0 50 FJAA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(Cl)c3)sc21 20616044 GRQIUXJWPXMNSW-UHFFFAOYSA-N 359.760 4.559 0 50 FJAA COc1ccc(CO[C@@H]2[C@H]3CC[C@@H]([C@@H]4CCC(C)(C)[C@]42O)C3(C)C)cc1 43763711 XLOOCWUKUKOMND-DTULOEDASA-N 358.522 4.814 0 50 FJAA Cc1cc(N2CCC[C@@H](c3nccn3C(C)C)C2)nc2cc(F)ccc12 95361878 HEWJHLODLTWUCU-MRXNPFEDSA-N 352.457 4.844 0 50 FJAA CC[C@]1(CO)CCCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)C1 96163159 XKGQRJFSCNJJNI-NRFANRHFSA-N 372.440 4.634 0 50 FJAA C[C@@H]1CC(=O)CC[C@@H]1c1nc(C2(c3c(F)cccc3F)CCCC2)no1 329597286 PJMNFKDXOQPSEO-OCCSQVGLSA-N 360.404 4.681 0 50 FJAA CCOc1cc(NC(=O)c2cc(C)cc3ccncc23)cc(OCC)c1 1875331976 HPTKPXDNAIWAIU-UHFFFAOYSA-N 350.418 4.593 0 50 FJAA COc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1C 1112976 UNEJUVWHUVJGRB-UHFFFAOYSA-N 358.441 4.981 0 50 FJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 1161421 YAAFLFNNBQRFSY-UHFFFAOYSA-N 359.381 4.597 0 50 FJAA O=C(COC(=O)c1cccc(Br)c1)c1ccc2ccccc2c1 1164922 AUGWDYXYKJWVBF-UHFFFAOYSA-N 369.214 4.642 0 50 FJAA Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc1 1221234 PXKVQQPMCFJFRZ-UHFFFAOYSA-N 373.865 4.738 0 50 FJAA CCOC(=O)[C@H]1CCCN(Cc2ccc3c(c2)c2ccccc2n3CC)C1 1227468 ANBLDXXOGVVWAX-SFHVURJKSA-N 364.489 4.590 0 50 FJAA C[C@@H]1Cc2ccccc2N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 4709308 YNTDVDRZBUZHJM-GCJKJVERSA-N 359.469 4.545 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2cn3ccccc3n2)cc1 4809648 HLJVOHCQJURHGH-UHFFFAOYSA-N 361.832 4.836 0 50 FJAA CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(O)ccc2c1=O 5444758 HXUMLKHADLLMBY-UHFFFAOYSA-N 366.291 4.708 0 50 FJAA biogenic CN(C[C@@H]1CCCCO1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 11934778 CUYOXOXGEZETPC-KRWDZBQOSA-N 356.466 4.517 0 50 FJAA CN(Cc1cccc2cccnc12)C(=O)c1ccc2nc(C3CC3)oc2c1 12385896 HXFDKTHRCQDMSY-UHFFFAOYSA-N 357.413 4.526 0 50 FJAA Cc1cccc(-c2nc(CSc3nnc(-c4ccco4)n3C)cs2)c1 17075615 UVWOLXVBVCGCFP-UHFFFAOYSA-N 368.487 4.799 0 50 FJAA COc1ccc([C@@H]2OCC[C@@H](C[C@@H](C)C3SCCCS3)O2)cc1 43763208 XYTNTSSIIVZIEO-XOKHGSTOSA-N 354.537 4.722 0 50 FJAA CCOc1ccccc1Oc1ccccc1C(=O)NCc1nc(C)cs1 176006409 GZIWDPAXSJHSIL-UHFFFAOYSA-N 368.458 4.573 0 50 FJAA COc1ccc(C)nc1NC(=O)c1sc(-c2ccc(C)cc2C)nc1C 225440210 MMONPGWMWCKAIH-UHFFFAOYSA-N 367.474 4.700 0 50 FJAA COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1cccc(C)c1 252483630 FGDYXDQCAPIROX-IBGZPJMESA-N 360.413 4.588 0 50 FJAA Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3sccc3C)c2)n1 299758153 NXPZIGVXJJWLIE-KRWDZBQOSA-N 367.474 4.782 0 50 FJAA CCc1cnc(C)nc1-c1cccc(C(=O)N(C)[C@@H](CC)c2cccnc2)c1 426511864 ZAIOQMLTOJXCDH-NRFANRHFSA-N 374.488 4.633 0 50 FJAA c1ccc([C@@H](CCNC2CCC3(CCNCC3)CC2)c2ccco2)cc1 952979782 FSMNSQDBIVCXFW-OAQYLSRUSA-N 352.522 4.704 0 50 FJAA CC(C)c1nccn1[C@@H](C)C(=O)Nc1cccnc1Oc1ccccc1F 1875243790 XPCLBFJNXZVGPK-AWEZNQCLSA-N 368.412 4.533 0 50 FJAA O=C(c1ccccc1)c1ccc(COC(=O)c2nccc3ccccc23)cc1 2325699559 WOBHJVRKWHDYGH-UHFFFAOYSA-N 367.404 4.823 0 50 FJAA COc1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 1778265 WIWJMTUOLKLYHH-UHFFFAOYSA-N 368.458 4.616 0 50 FJAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1C 2764514 RVHWZNSDCHWSEJ-UHFFFAOYSA-N 351.427 4.762 0 50 FJAA Cc1ccc(C)c(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1 2849363 NKRPSEMSQRNKRH-UHFFFAOYSA-N 371.531 4.964 0 50 FJAA CCCCOc1cccc(C(=O)Nc2ccc(C(=O)OCCC)cc2)c1 2969291 XZUOEZYIAOQLKG-UHFFFAOYSA-N 355.434 4.685 0 50 FJAA COc1cccc(OC)c1OCCCOc1ccc(Cl)cc1Cl 2983892 CJVAYPAHUZSWEV-UHFFFAOYSA-N 357.233 4.859 0 50 FJAA COc1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 4314036 ZEZZVDKRWGBLEJ-OAQYLSRUSA-N 363.482 4.845 0 50 FJAA biogenic Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)c1 4724446 VHMRXAOCALLYHW-PFONDFGASA-N 352.437 4.924 0 50 FJAA O=C(Nc1ccc(F)cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4867719 SACIKTHZYORJIA-UHFFFAOYSA-N 359.360 4.795 0 50 FJAA O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1F 9231109 IEPBXMNDCVEQCG-UHFFFAOYSA-N 374.843 4.794 0 50 FJAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)cc1 35561737 WYTSETYOPZVOCQ-FQEVSTJZSA-N 366.461 4.931 0 50 FJAA Clc1cccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 55543917 IUDQKWIIMLZORY-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA O=c1cc(OCCCCOc2ccccc2)c2cc3ccoc3cc2o1 79390157 CJURXBPLSXCRAR-UHFFFAOYSA-N 350.370 4.777 0 50 FJAA CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 334161488 ZTPHNJFWVFYKDE-VDGAXYAQSA-N 366.509 4.855 0 50 FJAA O=C(c1ccc2oc(O)nc2c1)N(Cc1ccccc1)C1CCCCC1 486254935 JGDYCXYLNVXPKQ-UHFFFAOYSA-N 350.418 4.509 0 50 FJAA Oc1ccc2c(-c3nc([C@H]4SCCc5ccccc54)no3)cccc2c1 1875322747 FPLCJNOVWYKWRJ-IBGZPJMESA-N 360.438 4.974 0 50 FJAA C[C@@H]1COc2ccc(Cl)cc2[C@H]1C(=O)Nc1cncc2ccccc12 1875340253 SGXOKACJPFKOBB-BLVKFPJESA-N 352.821 4.639 0 50 FJAA Cc1cccc2c(C(=O)Nc3ccc(Oc4cnccn4)cc3)cccc12 2325744897 YEDHMIYRKQTDPO-UHFFFAOYSA-N 355.397 4.983 0 50 FJAA Cc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 634185 QTCJTRZGGRBCEN-UHFFFAOYSA-N 350.654 4.756 0 50 FJAA O=c1c2c3c(sc2[nH]c(=S)n1C/C=C/[C@@H]1C=CC=CC1)CCCC3 1061143 JUNYDUDAZUIWAZ-YSKGHYERSA-N 356.516 4.688 0 50 FJAA CCOc1ccccc1Nc1nc(-c2c(C)nc3sccn23)cs1 1102702 HKQMNFIXGXVWNY-UHFFFAOYSA-N 356.476 4.970 0 50 FJAA CC(C)c1ccc(OCc2nc(-c3cccnc3)no2)c(Br)c1 1141531 OIWOUXMBRTVXER-UHFFFAOYSA-N 374.238 4.597 0 50 FJAA CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)Nc1ccccc1-2 1191035 XFJCIWPGEMUFNW-MRXNPFEDSA-N 370.865 4.807 0 50 FJAA Cc1cc(Cl)ccc1OCc1nc(-c2ccc(Br)o2)no1 1445797 LFBDRSDEVUPZGE-UHFFFAOYSA-N 369.602 4.633 0 50 FJAA CCOc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 2907381 OQEOURSBBKHIOR-JKSUJKDBSA-N 350.245 4.611 0 50 FJAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc12 6756310 NKCBOQAOPFBJKE-UHFFFAOYSA-N 357.413 4.552 0 50 FJAA O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([C@@H]2CCCO2)s1 91616786 YPAJZQHABFPTFK-HNNXBMFYSA-N 370.499 4.653 0 50 FJAA O=C(NNc1ccc(OC(F)F)cc1)c1ccc2c(c1)Cc1ccccc1-2 122369896 ZUMFVTPZYHKLLL-UHFFFAOYSA-N 366.367 4.616 0 50 FJAA COC(=O)c1ccc(CSc2cc(C)c3ccc(OC)cc3n2)cc1 219724865 RIENNLTVHMTBOG-UHFFFAOYSA-N 353.443 4.631 0 50 FJAA CCc1ccc2c(CN(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc(=O)oc2c1 252458637 YNOZRLSDBVLPBF-AUUYWEPGSA-N 351.446 4.704 0 50 FJAA CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(Cl)c2Cl)C1 464775004 NDPOVBDKFJVYAU-VXGBXAGGSA-N 361.338 4.538 0 50 FJAA CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 1457434982 MSXZCUGQENOWLS-UHFFFAOYSA-N 357.837 4.899 0 50 FJAA CCN(C(=O)Nc1ccccc1-c1cccc(OC)c1)[C@H]1CCCC[C@@H]1O 1565516377 SPWASWSTAMEHNV-SFTDATJTSA-N 368.477 4.520 0 50 FJAA CC(C)CCOc1cccc(CN2CCC(Cc3ccc(O)nc3)CC2)c1 1772818965 CTPZEIYNRNXJKS-UHFFFAOYSA-N 368.521 4.667 0 50 FJAA Cc1ccc(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 808668 YUTRTPDKUSCCHU-INIZCTEOSA-N 371.695 4.842 0 50 FJAA COc1ccccc1O[P@](C)(=O)Nc1ccccc1Br 826135 ZCLCHGKTKOATKL-FQEVSTJZSA-N 356.156 4.772 0 50 FJAA COc1ccccc1O[P@@](C)(=O)Nc1ccccc1Br 826136 ZCLCHGKTKOATKL-HXUWFJFHSA-N 356.156 4.772 0 50 FJAA C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 1063374 QEVVPUIGWYHEFR-CYBMUJFWSA-N 364.308 4.560 0 50 FJAA O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1F 1111914 DZAKYRDLECKPLY-FPYGCLRLSA-N 354.606 4.894 0 50 FJAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F 1139806 RGRYCPOZRMWLCK-SECBINFHSA-N 372.621 4.648 0 50 FJAA O=C(Nc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCOCC1 1156435 IFTVOZLZJVAPTN-UHFFFAOYSA-N 350.245 4.680 0 50 FJAA COc1ccccc1-n1c(/C=C/c2ccccc2F)nc2ccccc2c1=O 4772754 PXSFBDRPJCHJFZ-CCEZHUSRSA-N 372.399 4.704 0 50 FJAA CCCCC(=O)N[C@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 5458201 CWHAIDAGVIHIBV-GFCCVEGCSA-N 359.080 4.722 0 50 FJAA Cc1ccccc1SC1CCN(Cc2nc(-c3ccccc3)no2)CC1 12031029 RIFURRREZIJYBR-UHFFFAOYSA-N 365.502 4.802 0 50 FJAA Cc1ccc(C)c(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 23280131 LXOUPZZZLJULOK-UHFFFAOYSA-N 364.411 4.524 0 50 FJAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@H]1c1cccc(F)c1 242047873 VQTJVYGHBMFUCE-NZSAHSFTSA-N 362.489 4.514 0 50 FJAA CC(C)(Cc1ccc(Cl)cc1Cl)NCc1ccc(C(=O)O)cc1 263404419 JFRNYJQOTLEEPR-UHFFFAOYSA-N 352.261 4.803 0 50 FJAA O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc2ccsc12 466266121 WPNSZLHJPLPEPO-KXBFYZLASA-N 351.471 4.799 0 50 FJAA Cc1cccc(CSc2ccccc2NC(=O)CCc2ccnn2C)c1 952983049 OAKWLXRJAUTGIL-UHFFFAOYSA-N 365.502 4.592 0 50 FJAA CCc1ccc2c(CC(=O)Nc3cc(OC)c(C)c(OC)c3)coc2c1 1875405722 NAUBLRVXBZSUPQ-UHFFFAOYSA-N 353.418 4.502 0 50 FJAA COc1ccc(-c2cc(-c3nccn3C[C@@H](C)OC)ccc2F)cc1F 2356155103 XIQKNFZUZWQJHV-CYBMUJFWSA-N 358.388 4.539 0 50 FJAA Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 1064627 VIMNZFRVQJRYPR-SFHVURJKSA-N 361.441 4.980 0 50 FJAA Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1 1078835 KMSUGCBOQYEBLW-UHFFFAOYSA-N 351.471 4.699 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(I)cc2)c(Cl)c1 1171693 FEMSYWQGTJSDLD-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 2618634 KQWRPVFXONUWRW-UHFFFAOYSA-N 359.882 4.615 0 50 FJAA O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cccc(Cl)c1 3906470 ZPICMZCNTXLQSW-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA Cc1cccc2c(C(=O)NCc3cccs3)cc(-c3cccnc3)nc12 6401604 MPDKISSSDFICTD-UHFFFAOYSA-N 359.454 4.597 0 50 FJAA Cc1[nH]c2c(C(=O)N[C@@H](C)c3cnn(-c4ccccc4)c3C)cccc2c1C 12057042 XHUVPMHEVXZQSD-INIZCTEOSA-N 372.472 4.770 0 50 FJAA O=C(c1cccnc1)N(Cc1ccc(OC[C@@H]2CC=CCC2)cc1)C1CC1 14964032 KXYZZTBOZDKWJQ-LJQANCHMSA-N 362.473 4.622 0 50 FJAA COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 15009896 QRMNHRMIGPYFOB-YBEGLDIGSA-N 359.834 4.585 0 50 FJAA O=C1c2ccccc2N[C@H](c2cccc3ccccc23)N1C[C@@H]1CCCO1 15502939 SOXNPQCXRRBRMX-JTSKRJEESA-N 358.441 4.585 0 50 FJAA Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)c1 35561765 WAYHSYZKPOQTOJ-IBGZPJMESA-N 366.461 4.915 0 50 FJAA Cc1cc(C)nc(NC(=O)c2cccc(CN(C)[C@@H](C)c3cccnc3)c2)c1 65407506 WBKXBLQARAVYHK-SFHVURJKSA-N 374.488 4.539 0 50 FJAA CN1C[C@@H](c2ccccc2)CC12CCN(c1ccc3ccccc3n1)CC2 95508929 STBNKUSOBKUCAI-NRFANRHFSA-N 357.501 4.693 0 50 FJAA O=C1CCc2ccc(NC(=O)c3ccc(-c4ccccc4F)s3)cc2N1 150943337 YYYMYJUYKFXGEI-UHFFFAOYSA-N 366.417 4.691 0 50 FJAA CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3)C[C@@H]21 169713143 FODLTBILZCIWTG-REWPJTCUSA-N 371.440 4.723 0 50 FJAA COc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC 4676291 BINARTFURCXLAU-UHFFFAOYSA-N 362.429 4.629 0 50 FJAA OC(c1ccccc1)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 4798531 IDCFPZDXGPMARA-UHFFFAOYSA-N 350.286 4.666 0 50 FJAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1 4814259 NOEQERUVSVLMTM-UHFFFAOYSA-N 367.474 4.923 0 50 FJAA COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 15010582 YEBFTVYJBFONST-YBEGLDIGSA-N 359.834 4.585 0 50 FJAA CCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 15836548 BNLXHHVTWQNFHO-RAXLEYEMSA-N 352.821 4.769 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2Cl)cc1 17987010 TZFHBGLWXOGWNA-IAGOWNOFSA-N 367.832 4.896 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)no1 21718962 OMMBREBEFPJIDZ-KRWDZBQOSA-N 357.454 4.811 0 50 FJAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 104271977 XCOBSMXYJUADIU-LSOMNZGLSA-N 356.368 4.561 0 50 FJAA 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 118915871 KHEZIAQMLFFOSK-VQYYWAOGSA-N 358.522 4.942 0 50 FJAA Cc1nc(Cl)ccc1CSc1nnc(C)n1CCc1cccs1 170590959 LLIRXJFIDILVKK-UHFFFAOYSA-N 364.927 4.540 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 245240779 SPFIKHYEPDYDPC-HKHBUPFLSA-N 360.538 4.689 0 50 FJAA C[C@@H]1CCN(C)c2ccccc2N1Cc1cc(F)ccc1Br 1459671783 VRBYWRTUODGUIO-CYBMUJFWSA-N 363.274 4.823 0 50 FJAA c1ccc(CN2CCO[C@@H](c3nc(CCC4CCCC4)cs3)C2)cc1 1875356371 JHFQHUVSENNZKI-HXUWFJFHSA-N 356.535 4.839 0 50 FJAA CCOc1ccc2nc(-c3ccc(NC(=O)N4CCC4)cc3)sc2c1 2325839638 ZUVALYVPLXZMMC-UHFFFAOYSA-N 353.447 4.600 0 50 FJAA Cc1ccc(SCCC(=O)Nc2cccc(Br)c2)cc1 1148691 QRPWBKJAQMHKGB-UHFFFAOYSA-N 350.281 4.878 0 50 FJAA CC[C@H](C)Nc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 1157953 KYFVXGOIDFBNJW-JTQLQIEISA-N 356.495 4.610 0 50 FJAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(Br)cc1 1214301 AGQYUOMNMCLQOF-ZYHUDNBSSA-N 363.082 4.979 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 2745550 KDXAVUWMMUXBNA-UHFFFAOYSA-N 363.504 4.898 0 50 FJAA Cc1ccccc1OCCNC(=O)COc1ccc(C2CCCCC2)cc1 3002907 GESWIBPAFGSKCW-UHFFFAOYSA-N 367.489 4.617 0 50 FJAA COc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 5015968 YZKKFYGNBUCYJF-UHFFFAOYSA-N 368.502 4.872 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2ccsc2)C1 12303720 OWWATPBUIZLSBP-HNNXBMFYSA-N 353.409 4.862 0 50 FJAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccccc1Br 13745949 JINQXTWGFHQUMG-LLVKDONJSA-N 363.230 4.961 0 50 FJAA Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)c1 35561794 YAXKMVMZRWVQLO-GOSISDBHSA-N 352.434 4.873 0 50 FJAA Clc1cccc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 71752518 DTCUDNNVDRCUJV-OAHLLOKOSA-N 357.668 4.615 0 50 FJAA CC1=CC[C@@H]2[C@H](OCOCc3ccccc3)CC[C@]2(C)[C@H](O)[C@@H]2CC=C[C@H]12 71786458 VDAVYBKDCZDUDY-QALHXSLCSA-N 368.517 4.865 0 50 FJAA COc1ccccc1-c1ncc(CN2CCC[C@H]2c2ccccn2)s1 72162627 FWTDAONVKRWIMG-SFHVURJKSA-N 351.475 4.551 0 50 FJAA C[C@@H](N(C)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)C1(C)CC1 176026308 HYVDTCCQPMZQMV-LLVKDONJSA-N 374.872 4.920 0 50 FJAA O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704300799 ZVGZHXVMUAPCCA-IRLDBZIGSA-N 366.461 4.638 0 50 FJAA CCCCCn1cc(C(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)c2ccccc21 1875357633 OOEFNTYGURRSEC-KSFYIVLOSA-N 356.510 4.765 0 50 FJAA Cc1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccccc1 652002 GEPZKMPXZTWDMS-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA CCc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(C)ccc3n2)cc1 1459185 LKINEENYRRSJLE-IBGZPJMESA-N 374.484 4.681 0 50 FJAA CCOC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 2761164 JNGBONHRTUCXSH-UHFFFAOYSA-N 359.834 4.984 0 50 FJAA COc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1OC 2851341 KTCLVAXONKOYLM-SNVBAGLBSA-N 369.248 4.893 0 50 FJAA CC(=O)c1cccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 2857831 CSJSWMAXGNOFOK-UHFFFAOYSA-N 354.740 4.788 0 50 FJAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)CCCC(=O)O 4313939 IDXLBSTUJMLQJZ-SJLPKXTDSA-N 351.446 4.507 0 50 FJAA Cc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCC2)cc1 4815906 KDZLPOASMKCPSD-UHFFFAOYSA-N 358.489 4.750 0 50 FJAA Cc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 12282696 NRYUIMWABJWGMV-UHFFFAOYSA-N 351.471 4.824 0 50 FJAA Cc1ccc(CNC(=O)c2csc3nc(-c4cccc(F)c4)cn23)s1 12434048 HPXNLDTYTALJCH-UHFFFAOYSA-N 371.462 4.502 0 50 FJAA Oc1cc(-c2ccccn2)cc2c1OCCN(Cc1ccccc1Cl)C2 64006567 MIHBECZCGZKQTN-UHFFFAOYSA-N 366.848 4.502 0 50 FJAA Cc1nn(C)c(C)c1[C@H](C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1 65375717 WOAZGDLSQXNERQ-KRWDZBQOSA-N 372.472 4.882 0 50 FJAA Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)c2ccco2)s1 170619970 UWXJGJWKSUIDAM-INIZCTEOSA-N 354.406 4.780 0 50 FJAA CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccncc2)CC1 192278813 JWFSOQWHTRCWQM-UHFFFAOYSA-N 356.897 4.710 0 50 FJAA CC(C)(CNC(=O)c1ccccc1Cl)c1coc(-c2ccccc2)n1 1875315801 IDCXHEQOVOHZHX-UHFFFAOYSA-N 354.837 4.703 0 50 FJAA Cc1csc(Oc2ccc(NC(=O)c3cncs3)cc2Cl)n1 2325743466 SZEWZYLEZUAHEZ-UHFFFAOYSA-N 351.840 4.606 0 50 FJAA CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 669446 NJNCACIHJUPGTH-UHFFFAOYSA-N 361.463 4.581 0 50 FJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Br 1217454 PAFQKZAUYMWWHG-UHFFFAOYSA-N 360.129 4.600 0 50 FJAA COCc1cc(C)nc2sc3c(c12)N[C@@H](C)n1c-3nc2ccccc21 1421747 YGRXLJKYKAYKJQ-LLVKDONJSA-N 350.447 4.712 0 50 FJAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccccc2)C1 2558499 MRKDFMSHYBYVPD-HNNXBMFYSA-N 356.535 4.801 0 50 FJAA C[C@H]1CCCN(CCCCOc2ccc(Br)cc2Cl)C1 2824902 KYUJTORQOPNBTE-ZDUSSCGKSA-N 360.723 4.993 0 50 FJAA Cc1cccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c1C 2891255 SIPBZDAYGIFCGF-UHFFFAOYSA-N 369.852 4.968 0 50 FJAA COc1ccc(OCCOc2c(C)cc(Br)cc2C)cc1 2985165 SYMMWCQNINHANF-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1 6400618 SEXDQXHOCPACJY-UHFFFAOYSA-N 367.452 4.844 0 50 FJAA O[C@@H](c1ccccc1)c1nc2ccccc2n1CCCCOc1ccccc1 8361820 PXKXPRPPYBMZKA-QHCPKHFHSA-N 372.468 4.977 0 50 FJAA C=Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccccc3SC)C2)cc1 12457183 UWLOAOIOEXFCMM-SFHVURJKSA-N 365.498 4.787 0 50 FJAA COc1cc(C)c(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1C 65468595 DARVTTSFROPJBV-UHFFFAOYSA-N 358.445 4.614 0 50 FJAA Oc1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)nn12 100575781 JEZQOTPVQRULMG-UHFFFAOYSA-N 366.218 4.531 0 50 FJAA O=C(Nc1nccn1-c1ccccc1)N1CCCCC[C@@H]1c1ccco1 170616926 KMKYNKXQGZUSIR-QGZVFWFLSA-N 350.422 4.615 0 50 FJAA O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccsc1 225498883 YVDBYWOPWXMRNR-MRXNPFEDSA-N 356.834 4.986 0 50 FJAA Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@H]4CCCC[C@H]43)[nH]2)o1 230085695 VLVWGMXMHWHUKW-GSSPJMICSA-N 358.511 4.625 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@H]32)c1 239425827 VHTCQRPKUANPBY-WGMWDUQUSA-N 355.478 4.971 0 50 FJAA COc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1 239433120 XFYUSPHRMLRBRL-NQIIRXRSSA-N 362.454 4.999 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc3ccccc3n2)cc1 426370767 YQRWOLKJFLJZJV-OAQYLSRUSA-N 374.484 4.933 0 50 FJAA CC[C@H](C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 952964178 QYRREDQGLRLHSZ-LBPRGKRZSA-N 359.882 4.783 0 50 FJAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2cc3c(Cl)cccc3[nH]2)c1 952988792 PDMMXHXBJMTDHF-LBPRGKRZSA-N 367.836 4.589 0 50 FJAA N[C@H](N=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1501022754 QGGHVZQODZXLRK-OAQYLSRUSA-N 373.412 4.771 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCCC2 626681 MHZOMSXAKCTIEQ-UHFFFAOYSA-N 369.442 4.802 0 50 FJAA CCc1ccc(OC(=O)COc2ccc(Cl)cc2)c(Br)c1 708524 GYISAXPGUYABPA-UHFFFAOYSA-N 369.642 4.649 0 50 FJAA Cc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 993865 MWZSWADQLZWVFQ-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)c2ccccc12 1031768 YMSUHAOEWUGPQI-UHFFFAOYSA-N 361.850 4.693 0 50 FJAA Cc1ccccc1N1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O 1208330 JQMWEFVBCHXYMQ-UHFFFAOYSA-N 354.365 4.604 0 50 FJAA C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 2735244 SFOSMKKSCGZSAJ-AUSIDOKSSA-N 362.517 4.690 0 50 FJAA CC(C)C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2830698 VKUOVPCWAJRQOG-LLVKDONJSA-N 357.322 4.899 0 50 FJAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2ccc(CO)o2)cc1 4680844 BTZVBLKVVKKSBN-UHFFFAOYSA-N 365.473 4.984 0 50 FJAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2cccs2)C1 11816938 MCLPRWXFNACTQC-MRXNPFEDSA-N 360.498 4.827 0 50 FJAA Cc1sc2[nH]c(=S)n(Cc3ccncc3)c(=O)c2c1-c1ccccc1 17075120 QEASEDKUIXUYEY-UHFFFAOYSA-N 365.483 4.539 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nn1 65362864 OJRKVWPQWLHMIE-UHFFFAOYSA-N 353.813 4.826 0 50 FJAA Cc1cccc(N(C)C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c1 2325822971 ZXYRVXQTYJNDKW-UHFFFAOYSA-N 362.395 4.745 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3cccnc23)cc1 758709 UAQOINWXYOCOGS-UHFFFAOYSA-N 367.257 4.651 0 50 FJAA C[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1 852646 KNWDGZUFTMYBGN-AOMKIAJQSA-N 374.484 4.706 0 50 FJAA COc1ccccc1OCCn1cc(C(=O)c2ccccc2)c2ccccc21 1113340 QRJJJAFCEVRFRH-UHFFFAOYSA-N 371.436 4.960 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@@H](C)C2 2084698 XGBDLQUAHWZYTC-LLVKDONJSA-N 361.463 4.593 0 50 FJAA O=C1c2cccc3cccc(c23)C(=O)N1CCNc1cccc2ccccc12 4917771 RJVXTBOQWVEXDM-UHFFFAOYSA-N 366.420 4.701 0 50 FJAA O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1Cl 4950962 IXOHTDJNRKCOIP-UHFFFAOYSA-N 368.702 4.801 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)NC2(c3ccccc3Cl)CC2)c(C)s1 584892352 LFQUGNJJPHAPJM-NSHDSACASA-N 363.914 4.805 0 50 FJAA O=C(/C=C/c1cncc(F)c1)N1CCC[C@@H]1Cc1ccc2ccccc2c1 2325720606 BPCDEQIWMFHIAL-DQACCSDVSA-N 360.432 4.621 0 50 FJAA CCOCc1csc(NC(=O)c2cccn2[C@@H](C)Cc2ccccc2)n1 2325871318 HTAFNZZWDOYZMV-HNNXBMFYSA-N 369.490 4.537 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 648308 LTHCUHVHYMJFQS-UHFFFAOYSA-N 372.273 4.585 0 50 FJAA COc1ccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)cc1 1154233 FTHGAZZJLWGWTQ-UHFFFAOYSA-N 373.408 4.905 0 50 FJAA O=C(CSCc1ccccc1Cl)Nc1cccc(Br)c1 1179000 CBACCHLDZNDVTR-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA O=C(OCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 2814006 YWKXNUCDIXVHAM-UHFFFAOYSA-N 354.409 4.896 0 50 FJAA CC(=O)Oc1cc(C)c2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2826440 ZWDKEOZEOIOZSY-UHFFFAOYSA-N 362.303 4.713 0 50 FJAA O=C1CC[C@@H]2CN(C/C=C/c3ccco3)CC[C@@H]2N1CCC1CCCCC1 12191313 TXQIMQHZRAODEJ-LRUDFPBISA-N 370.537 4.576 0 50 FJAA CCc1cccc(CC)c1NS(=O)(=O)c1cc(C)c(Cl)cc1C 14255615 REOANXGNEIUTRE-UHFFFAOYSA-N 351.899 4.882 0 50 FJAA Fc1ccc(-n2c(S)nnc2CSCc2ccccc2)cc1Cl 17075172 WTCFTTHAGRJLLM-UHFFFAOYSA-N 365.886 4.782 0 50 FJAA COc1cccc2c1CCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1 22931094 PHRCDWVPTULQMT-HXUWFJFHSA-N 370.581 4.846 0 50 FJAA in-vivo Nc1nc(Nc2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1 60054593 ZWJSJYAOCXOOER-UHFFFAOYSA-N 354.417 4.667 0 50 FJAA CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1ccc(NC(C)=O)cc1 65419049 BIBOFAFUKROPSP-HXUWFJFHSA-N 363.461 4.773 0 50 FJAA Cn1c(-c2ccc(CN3CCC[C@@H]3c3ccccn3)o2)nc2ccccc21 72145998 DSRWSANXERJDNQ-HXUWFJFHSA-N 358.445 4.565 0 50 FJAA CCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 138835017 VCCPXHWAJYWQMR-UHFFFAOYSA-N 364.533 4.917 0 50 FJAA in-vitro O=C(Nc1scnc1-c1ccccc1)[C@@H]1SCCc2ccccc21 173040842 UXCGOJOJFXPXES-QGZVFWFLSA-N 352.484 4.779 0 50 FJAA Clc1c(CN2CCCN(Cc3cccs3)CC2)[nH]c2ccccc12 952976062 QYQDPUCEPKHUJH-UHFFFAOYSA-N 359.926 4.591 0 50 FJAA COc1c(Cl)cc(Cl)cc1CN(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1704297184 KHYDAAVZTYIDDV-AZQPONJRSA-N 371.352 4.553 0 50 FJAA FC(F)Oc1cccc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c1 1857721786 GCNVKDZGAMMPGS-VQTJNVASSA-N 359.416 4.640 0 50 FJAA COc1ccc(-c2nc(=N[C@H](c3ccc(F)c(C)c3)C3CC3)cc[nH]2)cc1 1875301817 RDDQCCRPOMWJAG-NRFANRHFSA-N 363.436 4.585 0 50 FJAA COc1ccc([C@@H](NCc2ccc3ccoc3c2)C2CCOCC2)cc1 2325731515 LIXIMVQGWZXPDN-JOCHJYFZSA-N 351.446 4.699 0 50 FJAA CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 598622 YBLIQJGXRLZBCZ-UHFFFAOYSA-N 355.522 4.981 0 50 FJAA in-vitro COC(=O)NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 639628 UCWBXSXXMQXCJA-UHFFFAOYSA-N 355.177 4.674 0 50 FJAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 1152954 RATHLXWLDWOSMP-UHFFFAOYSA-N 354.789 4.544 0 50 FJAA C[C@@H](CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1 1157193 JRRGRGRVKOQUPO-ZDUSSCGKSA-N 371.893 4.915 0 50 FJAA CCCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)c(Cl)cc12 1177411 DEDLYHOKHAWCDT-UHFFFAOYSA-N 374.795 4.800 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 1180201 WPPOQEDRMCJFLT-UHFFFAOYSA-N 372.896 4.726 0 50 FJAA CNc1cc(CSC)nc(SCc2ccc(Cl)c(Cl)c2)n1 1387634 SENQIAANEOEPOQ-UHFFFAOYSA-N 360.335 4.980 0 50 FJAA CC(=O)c1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 2853932 CLNANKAWRUPPBU-UHFFFAOYSA-N 352.503 4.541 0 50 FJAA CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 4646542 HJNQRQRYLIRIOK-QGZVFWFLSA-N 352.459 4.915 0 50 FJAA Clc1ccc(-c2nnc3sc(/C=C/c4cccnc4)nn23)c(Cl)c1 4710350 TYYMZYWICBEFAY-ZZXKWVIFSA-N 374.256 4.725 0 50 FJAA Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)cc1 21525317 PAMUOUFFORZTDO-LJQANCHMSA-N 350.393 4.766 0 50 FJAA Cc1nc([C@H](C)Sc2ncnc3[nH]cnc23)oc1-c1ccc(Cl)cc1 130128845 NAWUXBJGNALGSU-JTQLQIEISA-N 371.853 4.823 0 50 FJAA O=C(Nc1ccccc1Cc1cccnc1)[C@H]1C[C@@H]1c1ccc(F)cc1F 170597725 KGRRQBMBEQPJIT-MOPGFXCFSA-N 364.395 4.693 0 50 FJAA CN(Cc1cc(C2CC2)on1)C(=O)c1cccc(-c2ccc(F)cc2)c1 223168024 XUDXLDNYDVYQBG-UHFFFAOYSA-N 350.393 4.630 0 50 FJAA COc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(C)cc1 253426740 IMBADNUTKASFAN-IBGZPJMESA-N 360.413 4.588 0 50 FJAA CCSCCN(C(=O)c1conc1-c1ccccc1)C1CCCCC1 299786032 OZUIWOSOCZDORM-UHFFFAOYSA-N 358.507 4.870 0 50 FJAA CCc1ccc(Nc2ncnc3c2cnn3Cc2ccc(Cl)cc2)cc1 702817 TZJWJROROXNMGK-UHFFFAOYSA-N 363.852 4.834 0 50 FJAA COc1ccccc1COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1155754 ZKSUKPBOYMTJKJ-UHFFFAOYSA-N 356.805 4.523 0 50 FJAA Cc1ccc(-c2noc(COc3ccc(C)cc3Br)n2)cc1 1184670 CUFWXQCSEHWZRE-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA CC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1886756 AOGTXCQXTXGYKC-UHFFFAOYSA-N 366.244 4.994 0 50 FJAA Cc1cccc(C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C)nc1 2744843 ODKZCWIRMREMJU-UHFFFAOYSA-N 373.456 4.820 0 50 FJAA C[C@H]1C[C@H](C)CN(CCOCCOc2ccc(Cl)c3ccccc23)C1 4906573 YKVZILBGRZOAET-IRXDYDNUSA-N 361.913 4.867 0 50 FJAA O=C(CSC1=NCCS1)c1c(-c2ccccc2)[nH]c2ccccc12 6730278 OCPMTLQBAKOCNU-UHFFFAOYSA-N 352.484 4.854 0 50 FJAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\CCC(=O)O 34961948 DPZIOENSPXELQY-PCFNBTQGSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1nc2ccccc2n1C 63884679 APXAGNBJWAAWHV-UHFFFAOYSA-N 352.825 4.728 0 50 FJAA O=C(Nc1c(-c2ccccc2)nc2ccccn12)C1CCC(F)(F)CC1 120251750 AMASHINNHLHRAF-UHFFFAOYSA-N 355.388 4.765 0 50 FJAA Oc1cccc(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)c1 215688128 DLSXVPHOMJHOAI-UHFFFAOYSA-N 351.494 4.610 0 50 FJAA O=C(Nc1cncc2ccccc12)[C@@]12CC[C@@H](O1)c1cc(Cl)ccc12 2325821226 WLZJUTGEBNKHNR-QUCCMNQESA-N 350.805 4.587 0 50 FJAA CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)ccc1O 872116 MOAMGSSRRPCHLI-JOCHJYFZSA-N 374.440 4.558 0 50 FJAA C[C@H]1Cc2cc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)ccc2O1 969968 XKCWWHDHXAGVGB-NYHFZMIOSA-N 356.425 4.781 0 50 FJAA FC(F)(F)c1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1 1229323 BCFFOFSIHUYJSJ-UHFFFAOYSA-N 364.455 4.652 0 50 FJAA CCOC(=O)c1cnc2c(C(=O)c3ccccc3)cc(Cl)cc2c1Cl 1400619 OPGYIBBDCYRUTF-UHFFFAOYSA-N 374.223 4.949 0 50 FJAA COC(=O)c1sccc1-c1ccc(C(=O)Nc2cccc(Cl)c2)o1 4039002 GUODPKRYIGVYGO-UHFFFAOYSA-N 361.806 4.700 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccc(F)cc1 32934348 YQXYFYJNOJKGMN-LJQANCHMSA-N 366.461 4.850 0 50 FJAA Nc1cc(Cl)cc(OC(=O)c2ccccc2)c1OCc1ccccc1 43827689 LCBIVEAKBAMSHT-UHFFFAOYSA-N 353.805 4.720 0 50 FJAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239403279 RRSLLQLMRWNJBR-KHMAMNHCSA-N 358.696 5.135 0 50 FJAA aggregator c1c(-c2nnc(C3CCC(OC[C@@H]4CCCO4)CC3)o2)sc2c1CCC2 1349965937 XEGXETKFJQGHCJ-BCLQGDPASA-N 374.506 4.509 0 50 FJAA Cc1noc(NC(=O)CC2CC(C)(C)NC(C)(C)C2)c1-c1ccccc1 1529105443 BIQRAFPWAMEYTF-UHFFFAOYSA-N 355.482 4.535 0 50 FJAA Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 680099 HSZVUUXEOQGPER-UHFFFAOYSA-N 367.452 4.778 0 50 FJAA CCN(C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccccc1 1191096 YFNBBJMLOOGCGQ-UHFFFAOYSA-N 362.212 4.767 0 50 FJAA O=C(c1ccc(Br)cc1)c1cnc(Nc2ccccc2)s1 1395916 WNMNBSYLAANJNQ-UHFFFAOYSA-N 359.248 4.880 0 50 FJAA COc1ccc(-c2cs/c(=N\Cc3ccco3)n2-c2ccccc2)cc1 15684716 RVCLLZLXFIMPRA-DQRAZIAOSA-N 362.454 4.908 0 50 FJAA CCCOc1ccc([C@H]2CC(=O)Nc3cc(OCC)c(OCC)cc32)cc1 17075741 RNFCSWYCIIAMDU-QGZVFWFLSA-N 369.461 4.747 0 50 FJAA CN1CCC(SCc2c(C(=O)c3ccccc3)oc3ccccc23)CC1 39178848 IIYJCCNDZGHLFA-UHFFFAOYSA-N 365.498 4.991 0 50 FJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCCc1cccnc1)CCO2 67774897 WNVJTSCBCHVGHL-UHFFFAOYSA-N 374.484 4.590 0 50 FJAA OCc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccc3[nH]ccc23)o1 67804504 DNQYWJWLGQIUKN-UHFFFAOYSA-N 369.424 4.832 0 50 FJAA Cc1ccc(-c2nc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc3n2)cc1 238899550 GNIXFRMKQXXUEV-CLOONOSVSA-N 371.528 6.010 0 50 FJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1CC31OCCO1 257348011 ANVUQRJIXAVQDA-ZCILTOTFSA-N 360.538 4.977 0 50 FJAA Cc1nc([C@@H](C)NC(=O)N(Cc2cccs2)CC(C)C)c(C)s1 426420076 NDKYJNLMBLBTNL-GFCCVEGCSA-N 351.541 4.750 0 50 FJAA CCOC1CCN(C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)CC1 426739985 YXEOCCVRSNJTLW-UHFFFAOYSA-N 360.457 4.543 0 50 FJAA C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 480086947 BQCNHSPAWNOYGQ-CYFREDJKSA-N 357.501 4.674 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(-c4ccccc4)cc3)C1)CC2 1704315764 VSKIYMUSFHQRQW-RUZDIDTESA-N 369.512 4.932 0 50 FJAA CCc1nc2sc(C)cn2c1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325820321 OCQIOWLBERGFGL-CTYIDZIISA-N 373.909 4.596 0 50 FJAA CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12 818269 MKNAPMDEIUWDEB-UHFFFAOYSA-N 357.442 4.630 0 50 FJAA CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(F)cc1 920432 TYJCVGCALUZVAK-UHFFFAOYSA-N 359.466 4.575 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1067093 RPCHWDQWKNVUBM-UHFFFAOYSA-N 364.426 4.604 0 50 FJAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Br)cc1 1147038 PWHNNXGRKQVWFF-LBPRGKRZSA-N 350.281 4.877 0 50 FJAA O=C(C[C@H]1Sc2ccccc2N=C1O)Nc1ccc(F)c(Cl)c1 1260489 DWNKBSWHKSWUQJ-CQSZACIVSA-N 350.802 4.570 0 50 FJAA O=C(Nc1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 1420490 VFXDSSUGFNVDJP-UHFFFAOYSA-N 359.381 4.746 0 50 FJAA in-vitro CC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1 4964623 NNMZWOPVXSKAPI-UHFFFAOYSA-N 374.436 4.892 0 50 FJAA COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 35476554 KHKLPUDDEOAGFD-AWEZNQCLSA-N 364.854 4.557 0 50 FJAA Cc1c(O)nc(-c2ccccc2CN(C)CCC(C)C)nc1C(F)(F)F 48194570 UGODATRATNHSNP-UHFFFAOYSA-N 367.415 4.654 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nn1 65364187 KXKYNNKWWOCWSN-UHFFFAOYSA-N 351.385 4.620 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3CC[C@@H]3c3cccc(OC)c3)o2)cc1 65403440 FWLLPLREIDGTOU-LJQANCHMSA-N 363.413 4.551 0 50 FJAA Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cnn(-c2ccccc2)c1C 129126652 ZSFRUCNGMBEKFZ-UHFFFAOYSA-N 368.440 4.803 0 50 FJAA CC1=C[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)CC(C)=CCC1 253916098 XUVXBQLHPFQADG-QHAWAJNXSA-N 358.478 4.627 0 50 FJAA O=C(c1ccccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 263639626 ARSWEPKLQNRJPJ-RKDXNWHRSA-N 359.697 4.543 0 50 FJAA Cc1cc2c(NC(=O)N[C@@H](CC(C)(C)C)c3cccnc3)cccc2nn1 299783257 ZJMHOIRVVNJEOL-IBGZPJMESA-N 363.465 4.632 0 50 FJAA COc1ccc(Oc2ccc(NC(=O)[C@@H]3CCOC(C)(C)C3)cc2)cc1 824684090 GXAYPXUOLRSFNO-OAHLLOKOSA-N 355.434 4.631 0 50 FJAA CC(C)c1ccc(CC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 828075331 KRMKTQMVXBCCKX-IBGZPJMESA-N 353.462 4.549 0 50 FJAA Cc1ccc2c(C)cc(N3CCC([C@H](O)c4ccccn4)CC3)nc2c1C 1529105485 CHQNOUUBPHUWTB-QHCPKHFHSA-N 361.489 4.505 0 50 FJAA Cc1cccc(-c2ccc(CN3CCC4(CC3)C[C@](C)(O)CCO4)cc2)c1 1704306625 QKLMSMVVUPXSHM-HSZRJFAPSA-N 365.517 4.558 0 50 FJAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cccc(C(C)(C)C)n2)no1 1875331275 BQDUYFPJIVOIEU-NSHDSACASA-N 358.829 4.618 0 50 FJAA Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCC[C@@H]2CCCN21 2325841763 FPRHKHZCTKMYEN-DENIHFKCSA-N 363.505 4.563 0 50 FJAA C[C@@H](NC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 727280 MYEYHWWQCKHFML-QZTJIDSGSA-N 372.468 4.669 0 50 FJAA COc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OC 1071776 QOIWXIVQOGXEFE-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA Clc1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1 1080608 MTGVIUIIPGUJCS-UHFFFAOYSA-N 351.841 4.595 0 50 FJAA COc1ccc(-c2nn3c(-c4ccccc4C)nnc3c3ccccc23)cc1 1113942 JWROPMKSEKMICN-UHFFFAOYSA-N 366.424 4.929 0 50 FJAA O=C(CSc1nc2ccccc2o1)Nc1c(Cl)cccc1Cl 1138925 ZKRPJYODOXQKJH-UHFFFAOYSA-N 353.230 4.865 0 50 FJAA COc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1191711 CCGBWVNUUCQQIF-UHFFFAOYSA-N 368.436 4.840 0 50 FJAA biogenic Cc1cc(C)c(NC(=O)COc2ccc(Br)c(C)c2)c(C)c1 1215728 NGSVOEYWEQCSHD-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccn1 2522927 PJDJBNBVPWKGRF-UHFFFAOYSA-N 365.289 4.959 0 50 FJAA CC(C)(C)OC(=O)n1cc(C=O)c2c(OCc3ccccc3)cccc21 2563724 VGERAWRTLSARJZ-UHFFFAOYSA-N 351.402 4.816 0 50 FJAA CC(=O)c1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 2852548 OXXWGXWXPAETLE-UHFFFAOYSA-N 354.353 4.597 0 50 FJAA COc1ccc(NC(=O)Nc2ccc(Br)c(Cl)c2)cc1 2859020 ZLVFUVRZNNMZHO-UHFFFAOYSA-N 355.619 4.755 0 50 FJAA COc1ccc(CNCC[C@@]2(c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 4038369 NJKRITVJGFNMNK-DNQXCXABSA-N 367.533 4.948 0 50 FJAA biogenic O=C1CS[C@@H](c2ccccc2)N1CCSC12CC3CC(CC(C3)C1)C2 4949168 XTGGTEDRKUYHHP-FFWRVTDESA-N 373.587 4.963 0 50 FJAA COc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(C=O)cc2)cc1 5091791 MZDSEIRRZDSIKG-FQEVSTJZSA-N 362.454 4.925 0 50 FJAA aggregator N=C1NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)S1 5650285 KNPBKXPVNQRXOH-UNOMPAQXSA-N 360.438 4.557 0 50 FJAA COc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1F 11705341 IYOFTROSBVRMBB-MRXNPFEDSA-N 373.493 4.651 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccncc2)C1 12197981 UOERYGBEQSEUMT-HSZRJFAPSA-N 356.469 4.844 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 15070579 PPEIFBWMCASMCQ-HNNXBMFYSA-N 371.406 4.874 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)no1 21718946 BFPLHCXVTNBRIY-QGZVFWFLSA-N 369.396 4.569 0 50 FJAA Cc1ccc2[nH]c(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c(C)c2c1 91635597 FVTTWDXAXNYRAX-INIZCTEOSA-N 373.456 4.946 0 50 FJAA O=C(N[C@@H]1CCc2ccccc2C1)c1cc(N2CCCCC2)ccc1Cl 244723658 MFFZJSWXWWMQJP-GOSISDBHSA-N 368.908 4.618 0 50 FJAA CCCO[C@H]1CCCN(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)C1 299796647 PSWSRAZCYYJWHJ-VIOKTNGOSA-N 365.477 4.675 0 50 FJAA COc1cc(C(=O)O)ccc1NC(=O)c1coc2ccc(C(C)C)cc12 1875334832 HBDBYPMRTHHPAW-UHFFFAOYSA-N 353.374 4.515 0 50 FJAA O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 1875336348 XKZVUKNCGGORHV-RLLQIKCJSA-N 355.428 4.616 0 50 FJAA O=C(Nc1cncnc1)[C@H](Sc1cccs1)c1cccc(Cl)c1 2325738045 FOTXRAYWOQTKPJ-OAHLLOKOSA-N 361.879 4.664 0 50 FJAA CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 683210 RARYDGLIONLLKZ-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1[C@H](C)CCC2 937396 MSVVOLXXERYBHI-GFCCVEGCSA-N 359.447 4.976 0 50 FJAA O=C(Nc1ccc2c(c1)OCCO2)c1sc2cc(F)ccc2c1Cl 999990 OVDYJXWANBQUNQ-UHFFFAOYSA-N 363.797 4.717 0 50 FJAA COc1ccccc1-n1c(C)c(C(=O)O)c2cc(OC)c3ccccc3c21 1000341 IQBONHKOCWEXPI-UHFFFAOYSA-N 361.397 4.808 0 50 FJAA CCOC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12 1059569 JJHQMYVNSSEZOY-UHFFFAOYSA-N 357.837 4.728 0 50 FJAA CC[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(Cl)cc2s1 2878181 ZLOXNSKLZBILFB-ZDUSSCGKSA-N 364.829 4.885 0 50 FJAA COc1ccc(/C=C(/C(=O)NCCc2ccccc2)c2ccccc2)cc1 2993044 JIQBOHOUJUPLQB-PTGBLXJZSA-N 357.453 4.595 0 50 FJAA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Cl)cc1Cl 4590021 OQYQKSKXIAYOOO-AUWJEWJLSA-N 352.604 4.991 0 50 FJAA CCc1sc(NC(=O)c2ccc(OC(C)=O)cc2)nc1-c1ccccc1 4690438 UWBNTYZRDJYRLK-UHFFFAOYSA-N 366.442 4.550 0 50 FJAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 77542154 YNSFJQLWRNVVRC-INIZCTEOSA-N 373.855 4.533 0 50 FJAA Cc1nnc(-c2ccc(C)c(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)o1 96138431 ONUINIGPVHGXPP-IIBYNOLFSA-N 368.481 4.786 0 50 FJAA CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2ccc(Cl)cc2F)n1 119674799 RDXODWKPDICGKV-UHFFFAOYSA-N 358.804 4.640 0 50 FJAA CCCCN(Cc1ccncc1)C(=O)c1cc2c(Cl)cccc2n1C 215999172 PRYSMSYZMXRADO-UHFFFAOYSA-N 355.869 4.669 0 50 FJAA Cc1cccc(NC(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)c1C 240454762 FYMWKCXAMATYDS-OEWRPIJISA-N 365.521 4.582 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 477767948 JORYQSDHOXQPIP-QRWLVFNGSA-N 351.494 4.984 0 50 FJAA COC1[C@H]2CC3C[C@H]1CC(C(=O)N1CC(C)(C)C[C@H]1c1ccccc1)(C3)C2 1875391894 JPXQBAKVDDNQGV-DFFYWBLASA-N 367.533 4.828 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(F)c1 951842 BSSSNUWHGBSBKH-UHFFFAOYSA-N 369.417 4.983 0 50 FJAA COc1ccc(-c2cc(=O)c3cc(OC(=O)c4ccccc4)ccc3o2)cc1 955667 QGCMOIQKTMYVJS-UHFFFAOYSA-N 372.376 4.688 0 50 FJAA biogenic CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 1049047 ZXIMJJILCQUUOV-UHFFFAOYSA-N 358.869 4.645 0 50 FJAA Cc1cccc(C)c1N(Cc1ccc(Cl)cc1Cl)S(C)(=O)=O 1076611 OKVBGMORDZAXBY-UHFFFAOYSA-N 358.290 4.576 0 50 FJAA CC(=O)Nc1ccc(-c2csc(Nc3cccc(C(C)=O)c3)n2)cc1 1122875 RDWUWLFSEYZPNM-UHFFFAOYSA-N 351.431 4.715 0 50 FJAA Cc1ccc2oc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)nc2c1 2370325 JHQVHQFKJDMCAH-UHFFFAOYSA-N 354.365 4.604 0 50 FJAA Clc1ccccc1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 12390180 RRDZWOIFDCWHFN-UHFFFAOYSA-N 351.822 4.655 0 50 FJAA CCC[C@@H]1CCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(Cl)ccc23)C1 20997736 GUGUAIPSGXRYCA-CYBMUJFWSA-N 368.868 4.541 0 50 FJAA CCc1ncc(-c2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc3n2)cn1 63885151 AIERMCUDODPJOH-IYBDPMFKSA-N 374.488 4.657 0 50 FJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1C[C@H]1OCCc2ccccc21 67769515 OZZAKRZLIDMAQH-HXUWFJFHSA-N 370.456 4.563 0 50 FJAA Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](C(=O)c4ccccc4)C3)cc2c1C 77565251 AZPKQDQMRYRNSU-LJQANCHMSA-N 360.457 4.520 0 50 FJAA Cc1noc(C2CC2)c1NC(=O)Nc1ccc(COC2CCCC2)cc1 129537255 ZUFZWGSBCMKQRZ-UHFFFAOYSA-N 355.438 4.964 0 50 FJAA CN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 170609603 FNQPVSDPDJAAJZ-UHFFFAOYSA-N 358.656 4.893 0 50 FJAA C[C@@H]1[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCC[C@H]1C 241124113 JFSLYLPYWICGFK-GUXCAODWSA-N 359.473 4.851 0 50 FJAA 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 257349422 OAWOATRDZLDNDV-BYBKYBMHSA-N 362.554 4.769 0 50 FJAA CN(Cc1cnc2ccc(Cl)cn12)C(=O)c1cc2cc(F)ccc2s1 1875341690 CTQTXMSFDSAXAH-UHFFFAOYSA-N 373.840 4.614 0 50 FJAA Cc1c(C(C)C)c(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 1110853 RMRAPLGONRDMET-UHFFFAOYSA-N 354.377 4.626 0 50 FJAA COc1ccccc1N1C(=O)c2ccc(Oc3ccc(C)cc3)cc2C1=O 1118803 CXAVYWVSOCAIMI-UHFFFAOYSA-N 359.381 4.597 0 50 FJAA O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 1182294 MQJAQUIGQNIWKU-UHFFFAOYSA-N 368.816 4.587 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1ccccc1C(F)(F)F 1182422 QGULKCKAJLHZLL-UHFFFAOYSA-N 374.156 4.729 0 50 FJAA COc1cc(C=O)ccc1OCCCOc1c(Cl)cc(C)cc1Cl 4701913 BIMYUSUIVOSUAU-UHFFFAOYSA-N 369.244 4.971 0 50 FJAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(F)c3)c2C)c1 13331475 VCGOKZYICCCRLX-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA COCc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)s1 15062064 IIQFVNIOJBOEPV-SFHVURJKSA-N 372.534 4.735 0 50 FJAA Cc1nnc(CN(C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)o1 15072408 PNEGZTDXMRMZNC-UHFFFAOYSA-N 374.444 4.640 0 50 FJAA Cc1cccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C(C)C)c1 16626779 PHVNNHJRTNPVKO-UHFFFAOYSA-N 354.841 4.605 0 50 FJAA COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)C(C)(C)C)no2)cc1 19081411 YPEXHFBQQUSJST-GOSISDBHSA-N 356.466 4.840 0 50 FJAA CC[C@@H](c1ccncc1)n1ccnc1-c1cnc(-c2ccccc2C)nc1 71761046 CNIOBMFTHFUKOV-FQEVSTJZSA-N 355.445 4.710 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CC[C@@H](c4ccccc4F)C3)oc2c1 77392627 UGRYTHBGTAITAQ-CQSZACIVSA-N 353.393 4.519 0 50 FJAA O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 82115594 BLZWIEGVMUHJFG-MRXNPFEDSA-N 371.799 4.506 0 50 FJAA C[C@H](c1nc(C2CC2)no1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 329383175 RAIPSVKOUOSURL-GFCCVEGCSA-N 354.429 4.508 0 50 FJAA O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc2ccsc12 466266119 WPNSZLHJPLPEPO-HNAYVOBHSA-N 351.471 4.799 0 50 FJAA Cc1ccsc1CN(C)C(=O)c1cccc(-c2c(C3CC3)n[nH]c2C)c1 534635509 PHWRFXVCVXKSJJ-UHFFFAOYSA-N 365.502 4.905 0 50 FJAA CCN(Cc1ccccc1Cl)C(=O)N[C@@H](CCN(C)C)c1ccccc1 584888162 JLFAXRQUDAFYFW-FQEVSTJZSA-N 373.928 4.565 0 50 FJAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)c1sccc1Cl 952985629 CXWCDQKNWCQKOD-UHFFFAOYSA-N 357.866 4.802 0 50 FJAA O=C(OCc1cnc(C2CC2)o1)c1cc(-c2ccncc2)nc2ccccc12 1875313829 WAMBFNANICIQBX-UHFFFAOYSA-N 371.396 4.519 0 50 FJAA CC[C@H](NCc1cnn(CC2CCC2)c1)c1ccc(C(F)(F)F)cc1 2325829225 CLKRWVNQTCZKGA-SFHVURJKSA-N 351.416 4.943 0 50 FJAA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 712722 FZPGFIWUOANXJP-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 921525 ABPSBPNTOHFALD-UHFFFAOYSA-N 361.850 4.637 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 977591 APKSNMFLZTXIMS-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA CC(=O)c1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 1072470 ILTFRLUFYPSOLP-UHFFFAOYSA-N 373.865 4.604 0 50 FJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 1122796 UYTWFCOILRJOQJ-UHFFFAOYSA-N 368.477 4.730 0 50 FJAA CCn1c2ccccc2c2cc(CNCc3ccc4c(c3)OCO4)ccc21 2746818 YTSINFAHHBQRPJ-UHFFFAOYSA-N 358.441 4.833 0 50 FJAA Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 2849107 BWQQPTZEHRHPIK-UHFFFAOYSA-N 366.848 4.835 0 50 FJAA CCOc1ccc(OCCOc2ccc(Cl)cc2Br)cc1 2991300 SKIXWAVFJOWVKK-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1ccccc1F 5052664 AZNIWVCSWRQNKX-ZHZULCJRSA-N 373.383 4.749 0 50 FJAA CCOc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 6405730 ZDWIZOBUMMDTOP-UHFFFAOYSA-N 366.417 4.521 0 50 FJAA CCn1nc(NC(=O)c2cccc(Cl)c2)c2cc3cccc(C)c3nc21 8969086 PLICBQBYCNXYHF-UHFFFAOYSA-N 364.836 4.819 0 50 FJAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(C3CCC3)C2)cc1 12459441 GJABBEZHXXGTLD-SFHVURJKSA-N 364.489 4.565 0 50 FJAA CCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccncc3)no2)cc1 22457947 VZJDMIJEZMLZAI-UHFFFAOYSA-N 370.412 4.613 0 50 FJAA Cc1ccccc1C(OC[C@H](O)CN1CCCC[C@@H]1C)c1ccccc1C 28221127 QHNFFQDJTAIQCO-LEWJYISDSA-N 367.533 4.645 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)on1 33269976 FYYWTUYEKQNHPN-QGZVFWFLSA-N 369.396 4.569 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c12 36613984 VZFZMWHUFANCFL-TYNCELHUSA-N 369.490 4.814 0 50 FJAA Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(C)c1 67675905 CAZLWNDDJRELSG-GOSISDBHSA-N 364.272 4.824 0 50 FJAA Cc1ccc(C2=NN3[C@H](c4ccc(O)cc4)Oc4ccccc4[C@H]3C2)cc1 245237968 ACVVAKLXFYUMRB-GGAORHGYSA-N 356.425 4.943 0 50 FJAA CCCC(=O)N(c1cccc(F)c1)C1CCN(CCc2ccccc2)CC1 575598457 BSGQPGPNNBBEEQ-UHFFFAOYSA-N 368.496 4.666 0 50 FJAA in-vitro COc1ccc2nc(-c3ccccc3)cc(C(=O)NC3CCCCC3)c2c1 755094 LFNKCOVNVCZWEU-UHFFFAOYSA-N 360.457 4.973 0 50 FJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1 1112594 IEWFLISZFADZRD-UHFFFAOYSA-N 351.471 4.664 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1 1459726 WHNKWHSARDHGAS-IAGOWNOFSA-N 359.473 4.723 0 50 FJAA CCOc1ccccc1-c1cc(C(=O)O)c2cc(Br)ccc2n1 2756296 FCTLWADVTIXXBV-UHFFFAOYSA-N 372.218 4.761 0 50 FJAA COc1ccc([C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)cc1OC 2853868 KQPKVRVHSFCFJH-NSHDSACASA-N 368.355 4.605 0 50 FJAA COc1ccccc1OCCCOc1cc(C)c(Br)cc1C 2985301 ZCFYRQNINTUUKW-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA C[C@H](c1ccon1)N(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12301769 KHAXBWDAURYEBN-MRXNPFEDSA-N 358.445 4.925 0 50 FJAA Cc1ccc(C)c(NC(=S)Nc2ccn(Cc3ccccc3C)n2)c1 13331085 INLOYOWTMVBIMK-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA COc1cc2c(cc1OC)[C@@]1(Cc3ccccc3)c3ccccc3CN1CC2 19899089 CLQQDVVZDDORTO-RUZDIDTESA-N 371.480 4.562 0 50 FJAA Fc1ccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 101086295 UHJUJGBPJDGBCV-INIZCTEOSA-N 361.207 4.780 0 50 FJAA FC(F)(F)c1cc(I)cc2c(Cl)ccnc12 169620386 DTGPPQBZLULMCM-UHFFFAOYSA-N 357.500 4.512 0 50 FJAA O=C(Nc1ccc(SC(F)F)cc1)c1ccc(-c2ccccc2)[nH]c1=O 225508067 GNHGFBGXPHMAGL-UHFFFAOYSA-N 372.396 4.609 0 50 FJAA Cc1nc(CCCC(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)cs1 241338673 MCXRZRBPVGFANC-HNNXBMFYSA-N 368.506 4.527 0 50 FJAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H](C)c1ccccc1 952980309 JZNWXWGJGMUHOZ-MRXNPFEDSA-N 350.487 4.784 0 50 FJAA Fc1ccc2nc(C3CCN(c4ccc(-c5ccccc5)nn4)CC3)[nH]c2c1 1704325489 NFBFOGNFOKTXSB-UHFFFAOYSA-N 373.435 4.543 0 50 FJAA Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccncc3)c(C)c2)c1 2325721748 HYPARGUQDCVJGK-RMKNXTFCSA-N 358.441 4.929 0 50 FJAA Cc1cc(-c2ccccc2)ccc1-c1cncc(N(C)[C@H]2CCCNCC2)n1 2325829499 LBMZPPUJDMELHY-NRFANRHFSA-N 372.516 4.697 0 50 FJAA CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 643265 BDHRDDQWJCCLKR-UHFFFAOYSA-N 370.499 4.940 0 50 FJAA COc1cccc(-c2nnc(-c3cc(Cl)cc(Cl)c3OC)o2)c1 755095 HOJBOQKFBZRXKM-UHFFFAOYSA-N 351.189 4.728 0 50 FJAA CCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O 1180851 WOYVDDBFCSINDM-BOPFTXTBSA-N 373.861 4.975 0 50 FJAA C[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)c1cccs1 1421026 DPDWVMQZWKEZAR-GFCCVEGCSA-N 357.456 4.687 0 50 FJAA Cc1cccc(C)c1OCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 2304426 PHJPAWXCPHYOGY-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA Cc1cc(C)c(OCCCCN2CCC[C@@H](C)C2)c(Br)c1 2823978 URQBIGPVUPCUIG-CQSZACIVSA-N 354.332 4.957 0 50 FJAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccccc2)cc1 4005933 IEZMHFYKBDMXFU-HSZRJFAPSA-N 355.481 4.926 0 50 FJAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccccc1C 4122467 JSHPBRBPDQRRJB-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA Cc1cc(Br)ccc1-c1ccc(CNCc2cccnc2)o1 6715836 WRZDXLFQXKWNEJ-UHFFFAOYSA-N 357.251 4.702 0 50 FJAA Cc1nc(NCc2cccs2)sc1-c1ccn(-c2ccccc2)n1 12150802 VNUVWZDDNQZKDX-UHFFFAOYSA-N 352.488 4.978 0 50 FJAA COc1ccc(C)cc1NC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 17074035 JJMHTMNMXYSFSU-LFPRZYRFSA-N 358.551 4.895 0 50 FJAA CC/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34961972 YXQCSWUATWXVGK-MITSVBBBSA-N 362.510 4.715 0 50 FJAA in-vitro COc1cccc(OC)c1-c1c(-c2ccccc2)ncn1CCCSC 65398967 GYQMFQUTRWQXGL-UHFFFAOYSA-N 368.502 4.987 0 50 FJAA Cc1cc(CN[C@H](C)[C@H](O)c2ccc(F)cc2)ccc1Oc1cccnc1 237407790 NYLARHZLRLZIHR-ZHRRBRCNSA-N 366.436 4.533 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 239425828 VHTCQRPKUANPBY-FYQIFJIOSA-N 355.478 4.971 0 50 FJAA 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 253501636 QXKRUGDXPWHXHL-OWNQEUAMSA-N 374.521 4.813 0 50 FJAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC[C@H]1CCC2(CCC2)[C@@H]1O 1875342706 DKQGAHIPHPEPGC-IENSDBGJSA-N 361.570 4.677 0 50 FJAA C[C@H](O)[C@@](C)(CN[C@H]1CCC(C)(C)c2ccccc2C1)Cc1ccccc1 1875345102 RZHHKSAWRXQNRL-KIVTUJJHSA-N 365.561 4.889 0 50 FJAA O=C(CCNc1ccc(F)cc1Br)c1ccc(Cl)cc1 637031 LAUWLZSSNHBLTJ-UHFFFAOYSA-N 356.622 4.927 0 50 FJAA CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)Nc1ccccc1-2 2057030 NJFCBLPGCBBNPE-GOSISDBHSA-N 364.474 4.934 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 2678133 ZORASBZKRKQGGV-UHFFFAOYSA-N 351.402 4.950 0 50 FJAA Cc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1Br 2770475 JVDIDXKFTLNADF-UHFFFAOYSA-N 359.311 4.834 0 50 FJAA O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCCCC1 6829253 MTNNWQPPQGNKTJ-UHFFFAOYSA-N 351.837 4.576 0 50 FJAA CC(C)n1cc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 11817463 GOMVIPVQOMUEJJ-FQEVSTJZSA-N 367.537 4.856 0 50 FJAA CCn1c2ccccc2c2cc(CN3CCN(Cc4ccco4)CC3)ccc21 19781668 LCHRWUNLRRWKND-UHFFFAOYSA-N 373.500 4.725 0 50 FJAA COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1C 22135289 YLMBVOVWTDKYRM-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA COc1ccc(C)cc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38849472 YIZZVGDLDLPUNE-UHFFFAOYSA-N 352.478 4.632 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)c2ccc(C)c(C)c2n1 72407226 NPKYNYQUVWAQMF-NRFANRHFSA-N 359.473 4.922 0 50 FJAA O=C(c1ccc(-c2ccccc2F)o1)N(Cc1ccco1)c1ccccn1 170626076 MZFKJQFXAVNSDT-UHFFFAOYSA-N 362.360 4.921 0 50 FJAA CCC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1 534578247 CDDPUGDJVADDHX-QGZVFWFLSA-N 370.880 4.511 0 50 FJAA O=C(C1CCC2(CCC2)CC1)N1CCC2(CCc3ccccc3O2)CC1 1875334253 HPWOPBREVPAGEG-UHFFFAOYSA-N 353.506 4.733 0 50 FJAA CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Br)cn2)cc1 1061730 HHOHIGJJPUHAFF-ZDUSSCGKSA-N 361.283 4.785 0 50 FJAA CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 1108667 CQYWNPGXZMHIQM-UHFFFAOYSA-N 365.260 4.774 0 50 FJAA O=C(CSc1ccc(F)cc1)Nc1ccc(Br)c(Cl)c1 1109436 JIXUOCHPGFHFFP-UHFFFAOYSA-N 374.662 4.972 0 50 FJAA CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C)cc2)C1=O 1180605 SUXHOEHSDBUIPY-PDGQHHTCSA-N 353.443 4.630 0 50 FJAA CN(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 1793576 MKBBWIAGKOVFMB-UHFFFAOYSA-N 352.441 4.939 0 50 FJAA CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(Cl)c2Cl)s1 2749595 SGZGHKOACLQIKD-UHFFFAOYSA-N 357.262 4.530 0 50 FJAA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2ccccc2)cc1 2995639 JBLCOWCLVDCTJY-HXUWFJFHSA-N 374.465 4.795 0 50 FJAA COc1ccccc1[C@H]1SCC(=O)N1c1ccc(Cl)c(Cl)c1 3002454 IVEHNWZXEQAEOI-MRXNPFEDSA-N 354.258 4.781 0 50 FJAA O=C(O)c1sc2ncccc2c1OCc1ccc(Cl)c(Cl)c1 4052271 MCQKXIQTFKUUPL-UHFFFAOYSA-N 354.214 4.880 0 50 FJAA C[C@H]1C[C@@H](C)CN(CCOCCOc2cccc(Oc3ccccc3)c2)C1 4914590 AKMNCHYPLKUWEV-BGYRXZFFSA-N 369.505 4.852 0 50 FJAA O=Cc1cn(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc12 4983805 MTBJOGAWYNPZAE-GOSISDBHSA-N 368.436 4.623 0 50 FJAA Cc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9230972 CKJSOCXEDYNQFN-UHFFFAOYSA-N 370.880 4.963 0 50 FJAA Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)cc1 13593813 ATKFQPJQNPDUPH-QHCPKHFHSA-N 374.463 4.541 0 50 FJAA CC(C)c1cncnc1NCc1cccnc1Oc1ccc(F)c(F)c1 67675247 QVGFSIKYTLVNNE-UHFFFAOYSA-N 356.376 4.678 0 50 FJAA Cc1nc2ccc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)cc2nc1C 91756008 PXKBSKWSLZTGRI-INIZCTEOSA-N 365.864 4.530 0 50 FJAA CSc1cccc(NC(=O)N2CCC(c3nccn3C(C)C)CC2)c1 92019441 MUKGLKQXEAXOOV-UHFFFAOYSA-N 358.511 4.597 0 50 FJAA CN(C/C=C/c1ccccc1)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 95366634 WQBMWTBPTJGRGM-DHZHZOJOSA-N 367.452 4.787 0 50 FJAA CC(C)c1cc(C(=O)N2c3ccccc3N(C)CC[C@H]2C)nn1C(C)(C)C 170639167 QGQMWYSYAZMESX-MRXNPFEDSA-N 368.525 4.637 0 50 FJAA CCCCc1oc2ccccc2c1CN1CCC(C(=O)N2CCCC2)CC1 179819238 PWMMBFHWTHSZNG-UHFFFAOYSA-N 368.521 4.610 0 50 FJAA C[C@H]1C[C@@H](C)CN(Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 229657451 ZBYJAJDJZJDFFS-MNVSYLFESA-N 361.482 4.973 0 50 FJAA O=C(Nc1cc(F)ccc1Cl)N1CCCC[C@@H]1CCc1ccccn1 299780677 CENZWNYEYODPTI-MRXNPFEDSA-N 361.848 4.893 0 50 FJAA Cc1nc(C)c(-c2cccc(C(=O)N(C)CCc3scnc3C)c2)s1 426500070 HXMSZDLZEJNVAV-UHFFFAOYSA-N 371.531 4.507 0 50 FJAA CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1 601023267 OZDOSQNUJIXEOR-UHFFFAOYSA-N 368.496 4.522 0 50 FJAA in-vitro Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c(C)c1 741181539 UVTWPBFVPDSRIL-CVEARBPZSA-N 363.379 4.969 0 50 FJAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2csc(C(C)C)n2)c1 827720594 CJFNQAJTZXBOPO-UHFFFAOYSA-N 371.506 4.956 0 50 FJAA CC1=CCC[C@@](C)(O)C=C[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 1848443554 AVRRAMZPNSQDIW-JAXLGGSGSA-N 358.478 4.627 0 50 FJAA Cc1cc(Br)ccc1NC(=O)c1ccc(Br)cc1 752661 ZPYWHSIHSOMCKL-UHFFFAOYSA-N 369.056 4.772 0 50 FJAA O=C1C[C@H](C(=O)N(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)O1 754085 UGMLJFDSUBDKKQ-UNMCSNQZSA-N 357.409 4.656 0 50 FJAA O=C1C[C@H](c2cccc(Oc3ccccc3)c2)c2cc3c(cc2N1)OCO3 1068692 NDKUVFGJOKBPRI-QGZVFWFLSA-N 359.381 4.682 0 50 FJAA CC[C@@]1(C)Cc2c(sc3[nH]c(=S)n(-c4ccc(C)cc4)c(=O)c23)CO1 1138532 WPBYPIZWDNZMJH-IBGZPJMESA-N 372.515 4.660 0 50 FJAA CCOc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 1217325 JKUCEKNMQRHBSO-UHFFFAOYSA-N 360.457 4.973 0 50 FJAA O=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1 1218153 UNEPVQIAVYQOSK-UHFFFAOYSA-N 358.850 4.884 0 50 FJAA CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2209584 HPHAQHFNZIGMRV-CYBMUJFWSA-N 363.490 4.552 0 50 FJAA O=C(CSCc1ccccc1Br)Nc1ccccc1Cl 2962827 QLKDIUFLQNIWNI-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1cccs1 4777271 ZGQUNZIBGSNUDA-UHFFFAOYSA-N 374.469 4.502 0 50 FJAA C[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 6700703 ZXXPORNJBYGGIC-WMZOPIPTSA-N 361.489 4.760 0 50 FJAA Cc1nonc1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C 19792358 KJIAUIRHLQIOAF-UHFFFAOYSA-N 374.444 4.640 0 50 FJAA CC1CCN([C@H](CNC(=O)c2ccccc2Cl)c2cccs2)CC1 22680795 ASZOKRSUXYTOHW-QGZVFWFLSA-N 362.926 4.605 0 50 FJAA CCCN(CCC)C(=O)c1cc(-c2cncnc2)nc2cc(C)cc(C)c12 63868162 KQJSUPAXBHOUKT-UHFFFAOYSA-N 362.477 4.571 0 50 FJAA Cc1cccc2cc(CN3CCc4n[nH]cc4C3)c(-c3cccs3)nc12 72407594 SNSFGDQNMLRKHX-UHFFFAOYSA-N 360.486 4.553 0 50 FJAA O=C(Nc1ccc(OCc2cccs2)cc1)N[C@@H]1COC2(CCCC2)C1 96166907 WBKHMVIMCVINLS-INIZCTEOSA-N 372.490 4.550 0 50 FJAA Cc1nc2n(n1)[C@@H](c1ccccc1Cl)C=C(c1ccc(Cl)cc1)N2 100716868 VLLWAXOOZHBWNG-QGZVFWFLSA-N 357.244 4.949 0 50 FJAA Cc1cc(=O)c(-c2noc(/C=C/[C@@]3(C)CC[C@@H](C)C3(C)C)n2)c2n1CCC2 333854831 OHWVULYMJWRDKJ-MIJFHGAZSA-N 367.493 4.629 0 50 FJAA CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCC3(CCC3)CC2)CC1 1875334143 AOZINLHYYVRUPV-OAQYLSRUSA-N 372.528 4.782 0 50 FJAA COc1ccc(CN(C)C(=O)c2ccc(-c3ccncc3)cc2)cc1Cl 1875349628 FVJGYZRTFQFMHH-UHFFFAOYSA-N 366.848 4.683 0 50 FJAA O=C(N[C@@H]1c2ccccc2CC12CC2)C1CC(F)(c2cccc(F)c2)C1 1875407804 HZLBKHZGGVLGDG-JOXBDYEASA-N 353.412 4.594 0 50 FJAA CCc1c(C)sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1C(N)=O 656454 JLGQDRCQLNGNLH-UHFFFAOYSA-N 372.277 4.669 0 50 FJAA CCOC(=O)c1c2ccc(OCc3ccc(F)cc3)cc2n2ccccc12 1398655 KSNVCXAKLDGNEN-UHFFFAOYSA-N 363.388 4.987 0 50 FJAA COc1ccccc1OCCOc1cc(C)c(C)cc1Br 2985358 QSHADRRFXKBOOS-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA COc1ccc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 4757804 OJBVLQZGBUVCDD-UHFFFAOYSA-N 365.380 4.845 0 50 FJAA Cc1cc(C)c2c(N)c(S(=O)(=O)c3ccc(C(C)(C)C)cc3)sc2n1 4978297 UFHBTHZTWJZZKR-UHFFFAOYSA-N 374.531 4.626 0 50 FJAA CC(C)CCCN1CC[C@H](N2CCC(c3ccccc3)CC2)CCC1=O 12041519 KEDSDFDKXGCHCW-JOCHJYFZSA-N 356.554 4.683 0 50 FJAA O=C(Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1)C1CCCCC1 16393498 AATNFRBCAVSUEI-UHFFFAOYSA-N 374.488 4.575 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cc2ccccc2o1 20995762 ARIBKSYBEYREGI-LJQANCHMSA-N 361.420 4.925 0 50 FJAA COc1c(Cl)ccnc1CSc1nc2ccc(OC(F)F)cc2[nH]1 21302735 SEHIARBDRGKABK-UHFFFAOYSA-N 371.796 4.514 0 50 FJAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc4cccc(C)c4o3)[nH]c2c1 77438441 CAWQQJWHUZLWFW-GOSISDBHSA-N 359.429 4.903 0 50 FJAA CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 169405436 WDEOECIQYPNENG-RTBURBONSA-N 351.446 4.663 0 50 FJAA C[C@H](Nc1nc(C(F)F)nc2ccccc12)[C@@H](c1ccccc1)N(C)C 225532875 GWRUGJNTCLOKQC-GUYCJALGSA-N 356.420 4.671 0 50 FJAA COc1ccc(OC(C)C)c(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1 252489690 JWYNOKDRYRADIM-OAHLLOKOSA-N 374.403 4.677 0 50 FJAA CC(C)(C)c1csc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)n1 263587091 BZCDTBCOFNWBCX-AWEZNQCLSA-N 359.520 4.922 0 50 FJAA CC(C)c1nnc(COc2cccc3cc(Br)cnc23)s1 419043971 KRISCJREQCCFOX-UHFFFAOYSA-N 364.268 4.551 0 50 FJAA CCN(CC(F)(F)F)C(=O)c1cccc(-c2ccsc2C(C)=O)c1 426689828 GEAGTRJWGXSTTE-UHFFFAOYSA-N 355.381 4.642 0 50 FJAA Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c(C)c1 461490593 SPBDRGKDUMBYJB-UHFFFAOYSA-N 350.487 4.708 0 50 FJAA Cc1ccc(-c2noc(-c3cc(-c4c[nH]c5nccc-5c4)ccn3)n2)cc1F 904336176 ZNOYLDZYSNGRAT-UHFFFAOYSA-N 371.375 4.741 0 50 FJAA Cc1ccc(CN[C@H]2c3ccccc3CC2(C)C)c(O[C@H]2CCOC2)c1 1875344377 IPCHBXBREVUWRN-UGKGYDQZSA-N 351.490 4.576 0 50 FJAA Cc1ccc(OCC(=O)Oc2ccc3ccccc3c2)c(Br)c1 673887 MJXAOSQGIFVBIO-UHFFFAOYSA-N 371.230 4.895 0 50 FJAA O=C(COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 993074 JAXVAVYOVRGQGD-UHFFFAOYSA-N 365.816 4.854 0 50 FJAA NNc1nc(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 1198693 QIYDTJYRVYFNCX-UHFFFAOYSA-N 356.473 4.854 0 50 FJAA Fc1ccc([C@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)cc1F 11789934 LFHNKYOLRZRMGH-QGZVFWFLSA-N 357.429 4.932 0 50 FJAA COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CC(C)C)C2 12001560 RJTUPWARCSPHQG-UHFFFAOYSA-N 368.502 4.822 0 50 FJAA O=C([C@@H]1C[C@H]1c1ccccc1)N1Cc2ccccc2O[C@H](c2ccccc2)C1 12282273 LVTSPAFZHMYIKK-ZDXQCDESSA-N 369.464 4.953 0 50 FJAA COc1ccc(C[C@H](C)NCCc2ccc(Cl)cc2Cl)cc1OC 12383599 UETQWKLMZKGYLE-ZDUSSCGKSA-N 368.304 4.774 0 50 FJAA Cc1ccc(C(=O)N(Cc2cccc(OCc3ccccn3)c2)C2CC2)cc1 14883437 FJJCVXSFAYOGCR-UHFFFAOYSA-N 372.468 4.774 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)c(C)c1 44934880 FYXSMMFCPCWSHA-HXUWFJFHSA-N 364.533 4.701 0 50 FJAA Cc1cccc(NC2CCN(C(=O)Nc3nc4ccccc4s3)CC2)c1 154249777 QTAKAJUMWMTPJV-UHFFFAOYSA-N 366.490 4.713 0 50 FJAA 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 253595618 GPLGAQQQNWMVMM-BGSVRLAUSA-N 356.598 4.810 0 50 FJAA Cc1ccc(N2CCC[C@H](NCc3cccc(-c4ccncc4)c3)C2)cc1 1875264708 NJHYPTYZXWTCKV-QHCPKHFHSA-N 357.501 4.816 0 50 FJAA Cc1ccccc1Oc1ncccc1NC(=O)c1ccc(F)c(F)c1F 2325737885 JZLOYAQATFBUHP-UHFFFAOYSA-N 358.319 4.852 0 50 FJAA CC(C)(C)c1ocnc1CNC(=O)Nc1ccc([C@]2(C)CC2(F)F)cc1 2325790078 LKCQGGNGDOTWIL-SFHVURJKSA-N 363.408 4.591 0 50 FJAA NC1=N[C@H](c2ccccc2)[C@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 1272997 PHFAMCRUQQSHQC-TZIWHRDSSA-N 358.466 4.708 0 50 FJAA Fc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(F)c1 1432784 RRICHXQIRFXVMI-UHFFFAOYSA-N 356.250 4.613 0 50 FJAA Cc1ccc(-c2csc(NC(=O)CCCOc3ccccc3)n2)cc1 1770815 MLSUKZWPFRKBCU-UHFFFAOYSA-N 352.459 4.916 0 50 FJAA Cc1ccc(OCCOc2c(-c3ccco3)oc3ccccc3c2=O)cc1 1978267 TZPQTEUHOOMCJF-UHFFFAOYSA-N 362.381 4.819 0 50 FJAA O=C(O)c1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 2881310 IWPIEOVOMUWYFN-UHFFFAOYSA-N 370.202 4.553 0 50 FJAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4163128 PXLOOYFRPQPLNL-QZTJIDSGSA-N 373.836 4.962 0 50 FJAA Cc1sc(NC(=O)CCCC(=O)O)nc1-c1ccc(CC(C)C)cc1 4651303 UWGFQOWNIRPLHY-UHFFFAOYSA-N 360.479 4.510 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H]1c1ccco1 36620825 QCAAQDMHHRBRJB-OAHLLOKOSA-N 356.809 4.874 0 50 FJAA COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 42995839 LTIIYDXCTSIEAB-GOSISDBHSA-N 365.452 4.604 0 50 FJAA Cc1cc(C)n([C@H](C)Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)n1 65371019 XLXNDEBASIQJCU-GOSISDBHSA-N 372.472 4.997 0 50 FJAA O=C(c1cc(C2CC2)on1)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 252483576 FFKZHYRFVRGHPL-ROUUACIJSA-N 350.462 4.667 0 50 FJAA Cc1ccc(-c2nnc(COC(=O)c3cc4ccc(F)cc4s3)o2)cc1 914798362 YGTMVMYIRBQLRF-UHFFFAOYSA-N 368.389 4.756 0 50 FJAA COc1ccc(CNC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)cc1F 1440797094 WIHZBFSJFLQKIE-UHFFFAOYSA-N 354.425 4.543 0 50 FJAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CCCC12CC2 1875336204 VXPOESHADWYXBX-LJQANCHMSA-N 359.473 4.638 0 50 FJAA CCc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)OC)cc1 675885 JWPFTSBBRQCZPC-UHFFFAOYSA-N 355.415 4.609 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c(C)c1 676790 BMILUZGROLUCGH-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA O=c1c2ccccc2nc(-c2ccccc2F)n1-c1cccc(Cl)c1 706279 GOXFTOGPKPHUID-UHFFFAOYSA-N 350.780 4.845 0 50 FJAA CCC(CC)C(=O)Nc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 1049046 WUDJIUADVSRNOK-QGZVFWFLSA-N 366.505 4.812 0 50 FJAA COc1ccc2oc(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 2861711 ZWYIGMSFLSUEMI-UHFFFAOYSA-N 350.399 4.817 0 50 FJAA CCc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCC(C)C)c3C)C2)cc1 4911308 GRDVKRFHABPMIL-QGZVFWFLSA-N 353.462 4.611 0 50 FJAA CCOC1=N[C@@H]2Nc3cc4ccccc4cc3N(C)[C@H]2[C@@H]1c1ccccc1 4982356 WRHKCHDZUOOKER-FKBYEOEOSA-N 357.457 4.629 0 50 FJAA C[C@@]12CC3CC(C(=O)Nc4nnc(-c5ccncc5)s4)(C1)C[C@](C)(C3)C2 16551484 GUJKICVTNKMXJJ-GOSFSIBNSA-N 368.506 4.535 0 50 FJAA CCCN1CCC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 16580586 NJQXYODDHGAHIS-UHFFFAOYSA-N 371.333 4.812 0 50 FJAA CCOCCn1cnc(-c2ccccc2)c1-c1ccc(OC)c(O)c1Cl 65417119 ONKZENZNPFOMEE-UHFFFAOYSA-N 372.852 4.621 0 50 FJAA Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)ncn2Cc2ccncn2)o1 65462951 IWFDCTXZDWKPNW-INIZCTEOSA-N 358.445 4.636 0 50 FJAA O=C(c1ccccn1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71405792 UITAXTQSSGSTTA-OAHLLOKOSA-N 362.395 4.585 0 50 FJAA CCC(CC)C(=O)N1CCC2(CCN(Cc3sccc3C)CC2)CC1 72148179 KMKUSGNERJCTPV-UHFFFAOYSA-N 362.583 4.697 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1cc(F)cc2sc(N)nc12)C(C)C 96141344 SQUYSRBDKPABHT-UHFFFAOYSA-N 371.481 4.944 0 50 FJAA CC(C)CN(Cc1ccccc1Cl)C(=O)NCc1cc(C(C)C)on1 584886215 PFYFQILRWLHCPZ-UHFFFAOYSA-N 363.889 4.819 0 50 FJAA O=C(c1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 601032715 AEDOTOMIDAMDFC-UHFFFAOYSA-N 374.484 4.634 0 50 FJAA in-vitro COc1cccc(C2(C(=O)NC[C@@H](C)c3ccc(F)c(F)c3)CCCC2)c1 2325737790 ZPRKSIAEOQTGAK-OAHLLOKOSA-N 373.443 4.705 0 50 FJAA C[C@H](CNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 2325744013 SXYCSGWLDWSJSI-HUWOBIQISA-N 374.528 4.840 0 50 FJAA Cc1ccc([C@H]2CCCC[C@H]2C(=O)Nc2ccc3nc(O)oc3c2)cc1 2325862121 JYALGFSWCPSJJW-IAGOWNOFSA-N 350.418 4.754 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 799282 KSAGZEBPWRVMKF-UHFFFAOYSA-N 361.438 4.585 0 50 FJAA Cc1ccc(Sc2c(C)nn(C(=O)COc3ccc(F)cc3)c2C)cc1 955225 BMNNBQGFNNXETK-UHFFFAOYSA-N 370.449 4.818 0 50 FJAA CCCOc1cccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)c1 1858819 DPEIKERCUYNXQZ-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA CCC(=O)Nc1ccc2oc(-c3ccc(Br)c(C)c3)nc2c1 4104345 YBWYMTHGZRNZJL-UHFFFAOYSA-N 359.223 4.914 0 50 FJAA CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@@H](C)C2 4457491 NSZHXXMZDOZFMR-GFCCVEGCSA-N 374.531 4.859 0 50 FJAA FC(F)C(F)(F)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71745961 XYMIJSGQHBAZEX-GFCCVEGCSA-N 360.178 4.657 0 50 FJAA O=S1(=O)Nc2ccc(Cl)cc2C(c2ccccc2)=Nc2ccccc21 71770091 YJECUTCBASBELI-UHFFFAOYSA-N 368.845 4.623 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC[C@H]3c3ccccn3)c2c1 95508983 CXJOXZGOQDLVEE-NRFANRHFSA-N 359.473 4.922 0 50 FJAA Cc1nc(C(F)(F)F)c(CNc2cccc(OC[C@@H]3CCCO3)c2)s1 184317734 ZPUMQOSWZDEGRX-AWEZNQCLSA-N 372.412 4.640 0 50 FJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccccc4)N23)cc1OC 230133850 NKJZBGHLJGKNOS-DITOTRGCSA-N 370.452 4.631 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1ccc(CSCCO)cc1)C(C)C 534590144 YGVKLORXNYUBRV-UHFFFAOYSA-N 371.546 4.838 0 50 FJAA C[C@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc(O)c(F)c1 584898614 UGZOHNNIZFISHT-HNNXBMFYSA-N 371.456 4.532 0 50 FJAA Cc1cc(NC(=O)[C@H](c2ccccc2)C(C)C)ccc1N1CCCC1=O 820709774 JMACSJWKNSWEDK-NRFANRHFSA-N 350.462 4.500 0 50 FJAA Cc1ccc(-c2cc(CN3CCC([C@@H](O)c4cccs4)CC3)on2)cc1 1529119760 LHOYNUAYGBACDS-OAQYLSRUSA-N 368.502 4.657 0 50 FJAA O=C(Cc1cccs1)Nc1ccc2[nH]c(-c3ccc(Cl)cn3)nc2c1 1875265345 HGAODCGVKNCNKY-UHFFFAOYSA-N 368.849 4.521 0 50 FJAA Cc1cc(N2CCC(c3ccc(CO)cc3)CC2)c2ccc(F)cc2n1 1875356961 UBTFZQLNROLVDH-UHFFFAOYSA-N 350.437 4.559 0 50 FJAA CN(C(=O)c1cc2c(C3CC3)cccc2[nH]1)c1nnc(-c2ccccc2)s1 1875362420 DFPPJMGPINOJFF-UHFFFAOYSA-N 374.469 4.840 0 50 FJAA COC(=O)c1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 628524 ASMNCTPJNSLTNQ-UHFFFAOYSA-N 362.410 4.937 0 50 FJAA O=c1c2ccccc2nc(-c2ccccc2F)n1-c1ccccc1Cl 1081615 UEYIPCPJJDQBFX-UHFFFAOYSA-N 350.780 4.845 0 50 FJAA COc1cccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c1 1151664 IPKLQUDMCHLXEX-UHFFFAOYSA-N 356.805 4.523 0 50 FJAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)O)cc1 2539865 HQOGMQFPENTFMI-UHFFFAOYSA-N 373.408 4.770 0 50 FJAA in-vitro O=C(COc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1 2845579 WFMATUBGKQZDCH-UHFFFAOYSA-N 365.816 4.854 0 50 FJAA CCOC(=O)c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)o1 2867267 UNICSVRQIHVMQQ-UHFFFAOYSA-N 374.396 4.646 0 50 FJAA CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 4863102 PJOXNMQLOGDDBY-UHFFFAOYSA-N 356.516 4.649 0 50 FJAA Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33089134 WIDLQMBJLMKRHT-HNNXBMFYSA-N 360.457 4.803 0 50 FJAA C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCCO1 72435493 KDGJANSGWJHVIK-AWEZNQCLSA-N 368.864 4.739 0 50 FJAA Cc1cc2c(NC(=O)N(Cc3ccsc3)CC(C)C)cccc2nn1 299789046 WJEPPUJCVWPCQX-UHFFFAOYSA-N 354.479 4.690 0 50 FJAA O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N1CC2(CCC2)C[C@@H]1C(F)(F)F 1875408244 RLESAGKOLMKXOW-ARFHVFGLSA-N 355.375 4.653 0 50 FJAA COc1cc([C@@H]2CN([C@@H](C)c3c(C)cc(C)cc3C)CCO2)ccc1F 2325828336 DXCBPXCMTAGLSC-UWJYYQICSA-N 357.469 4.894 0 50 FJAA CCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 951034 JWZIKPYAHQRFED-NTUHNPAUSA-N 355.434 4.533 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 990690 OPLVUCABQYYYSV-RTBURBONSA-N 353.418 4.617 0 50 FJAA O=C(Nc1ccc(Br)cc1)c1ccc(COc2ccccc2)o1 1109889 SHTBLZDOVFOZMC-UHFFFAOYSA-N 372.218 4.873 0 50 FJAA Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 1408530 YMWAZGQEVPGPNW-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA CC(=O)O[C@@H](C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2)c1ccccc1 4151508 LTPNQOJKVBFWQJ-HXUWFJFHSA-N 365.429 4.504 0 50 FJAA Cn1cncc1Cn1ccc(-c2cccc(-c3cncc4ccccc34)c2)n1 20599998 SWFDPRQUKVMOEC-UHFFFAOYSA-N 365.440 4.547 0 50 FJAA Cc1cccc(C[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 100771277 VXRAFODLVIHMTQ-IBGZPJMESA-N 371.436 4.910 0 50 FJAA Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 154958318 ZVBYKIUBVFIPOJ-CYBMUJFWSA-N 361.445 4.788 0 50 FJAA Fc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 759047 VFCDKTWWHZIAOS-UHFFFAOYSA-N 362.433 4.761 0 50 FJAA CCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 828040 IPWCCSJRBUAXQI-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 951702 WSELANVDEHZSHJ-JTQLQIEISA-N 358.652 4.903 0 50 FJAA O=C(/C=C/c1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 1208322 NLDLKQNSPURNPT-JLHYYAGUSA-N 356.381 4.852 0 50 FJAA C[C@]1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CC1(Cl)Cl 2103589 MVZXUWNIXFZMJE-CYBMUJFWSA-N 361.681 4.986 0 50 FJAA CC(C)[C@H](OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1 2564817 FTSXVYQZLNPTCM-IBGZPJMESA-N 354.446 4.751 0 50 FJAA biogenic CCCOc1cccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)c1 2762639 JIIAOZIWAMXLLU-UHFFFAOYSA-N 360.457 4.927 0 50 FJAA O=C(Nc1cccc(Cl)c1)Nc1ncc2c(n1)-c1ccccc1CC2 3132971 VNAILVFMJPYGDT-UHFFFAOYSA-N 350.809 4.540 0 50 FJAA Cc1ccc(C2=Nn3c(nnc3-c3ccc(C(F)(F)F)cc3)SC2)cc1 4050238 XWHCTEWSRBHWBH-UHFFFAOYSA-N 374.391 4.630 0 50 FJAA O=C1CC[C@H](N2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccccc1Cl 12218121 JSYSWNKHUVBVIV-BJLQDIEVSA-N 374.956 4.733 0 50 FJAA O=P1(O)Oc2ccc3c(c2-c2c(ccc4c2CCCC4)O1)CCCC3 34008363 HCTOYKLUBVCMFH-UHFFFAOYSA-N 356.358 4.983 0 50 FJAA in-vitro Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nn1 72442288 AYWXHSJGJNTNAU-UHFFFAOYSA-N 373.334 4.848 0 50 FJAA CN(CCCc1ccccc1)C(=O)c1ccc(Cl)c(Br)c1 234305086 POSLCJLGQPHDEP-UHFFFAOYSA-N 366.686 4.807 0 50 FJAA Cc1cc(C)c(-c2ccc(C(=O)N(C)CCn3ccnc3C)cc2)cc1C 426429131 ZWUAOQDJNJEQMW-UHFFFAOYSA-N 361.489 4.556 0 50 FJAA CC1(C)CCc2nc(C(=O)N[C@H]3CCCCCCC3(F)F)ccc2C1 1875356660 PAKYTNLFYIFABV-KRWDZBQOSA-N 350.453 4.684 0 50 FJAA CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)cc1 704885 IUDWYMQRNKWAPX-QGZVFWFLSA-N 362.292 4.790 0 50 FJAA CCC1=C(OC(=O)c2ccccc2)C(C)(C)[C@H](c2ccccc2)OC1=O 709844 FEWXNYDYEILDTL-SFHVURJKSA-N 350.414 4.832 0 50 FJAA Cc1cc(Br)ccc1NC(=O)CCSc1ccccc1 1062591 HROOTLKMPSVNIJ-UHFFFAOYSA-N 350.281 4.878 0 50 FJAA COc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 1106950 AJHOARINPSCFRY-UHFFFAOYSA-N 359.425 4.964 0 50 FJAA O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 1175509 RRBIDEAPIPNULK-UHFFFAOYSA-N 374.387 4.985 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 1204188 IPPUYYAQMZPBBL-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2621596 GBKFHHPPIPHVMP-LLVKDONJSA-N 354.233 4.716 0 50 FJAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 2860577 JBOCAFLLBDSODE-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA CCOc1cccc(OCCCOc2ccccc2Br)c1 2984008 KASSYVAJPPRMFY-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA CCOc1ccc(OCCOCCOc2cc(Cl)ccc2Cl)cc1 2991105 GEIGSKIYVBKFDS-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1ccc(O)cc1 4952105 DQOCUEPBZAPHOY-UHFFFAOYSA-N 373.452 4.661 0 50 FJAA Cc1[nH]c2c(C(=O)N[C@H](C)c3cnn(-c4ccccc4)c3C)cccc2c1C 12057041 XHUVPMHEVXZQSD-MRXNPFEDSA-N 372.472 4.770 0 50 FJAA Fc1ccc(-c2nc3cc4c(cc3cc2CNC2CCCC2)OCO4)cc1 12151960 LVFKGNSDVRNZFP-UHFFFAOYSA-N 364.420 4.802 0 50 FJAA Cc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)o1 42489182 DZATZISBWCXQTK-AWEZNQCLSA-N 357.404 4.636 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccc(O)cc2)CCO3)s1 67856304 JLXOJNAILAGAOP-UHFFFAOYSA-N 367.470 4.529 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c(C)s1 91974120 LPMRHKAQTBZCRX-ZDUSSCGKSA-N 355.507 5.000 0 50 FJAA Fc1cc(F)cc(-c2nc(SCCCc3nc4ccccc4o3)n[nH]2)c1 170640038 MTSZJGYSEDXGKF-UHFFFAOYSA-N 372.400 4.616 0 50 FJAA O[C@@H](c1cccs1)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 215225495 JSFRCUZLDPMPQH-HXUWFJFHSA-N 371.550 4.531 0 50 FJAA CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 239121032 JEFAQWROLRPOIV-BMQTXXJKSA-N 372.553 5.106 0 50 FJAA C[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(Cl)c2ccccc12 408284979 BWPGEMKWIGHIGT-VBKZILBWSA-N 360.885 4.501 0 50 FJAA C[C@H](c1ccc(-c2ncnn2Cc2ccc(Cl)cc2)o1)N1CCCCC1 825540746 DBNFIGYFOPOJBP-OAHLLOKOSA-N 370.884 4.787 0 50 FJAA Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)O 1565504974 HBXBXOFXYNEFFY-UHFFFAOYSA-N 357.715 4.618 0 50 FJAA COc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1Br 943488 OUNPIBMPRKGZAI-VQHVLOKHSA-N 368.315 4.612 0 50 FJAA CCc1ccc(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1 992935 JASLUROPVZHDNV-UHFFFAOYSA-N 374.436 4.868 0 50 FJAA Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 1159428 VUACMKZUUSCLAM-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA Cc1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1Cl 1176054 YVOXUPIWBGIDNC-UHFFFAOYSA-N 358.850 4.830 0 50 FJAA O=C(Nc1ccccc1)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 1233922 BFWJCNIFRZMZRO-CYBMUJFWSA-N 358.656 4.617 0 50 FJAA Cc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 2800022 GFWUVUUADSRJDS-UHFFFAOYSA-N 360.385 4.972 0 50 FJAA CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)CC1 2812120 JGCNVUDWARXFNV-UHFFFAOYSA-N 364.917 4.698 0 50 FJAA CCOC(=O)C[C@H](NC(=O)[C@@H](CC)c1ccccc1)c1ccccc1Cl 3627311 MDTSTNLXQUIDDV-LPHOPBHVSA-N 373.880 4.644 0 50 FJAA O=C1CC[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 4282328 OZWWLABCDGFABG-QFIPXVFZSA-N 358.437 4.701 0 50 FJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(F)cc2)on1 4880455 RFMWOYOKMUDAKA-UHFFFAOYSA-N 366.270 4.632 0 50 FJAA Fc1ccccc1NC(=S)Nc1ccn(Cc2ccccc2Cl)n1 13330916 WRWVYERDHNJBSB-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c12 13642061 VZFZMWHUFANCFL-YWPYICTPSA-N 369.490 4.814 0 50 FJAA CCCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19790308 ZAPYKXLXFXZGSF-UHFFFAOYSA-N 362.260 4.522 0 50 FJAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N(C)Cc1noc(C(C)C)n1 55327341 MMPRJLMIANCFTL-UHFFFAOYSA-N 373.840 4.687 0 50 FJAA Clc1ccc2nc(N3CCC[C@@H](c4nccn4CC4CC4)C3)ccc2c1 82083763 LLKJIIGGGWUAHA-QGZVFWFLSA-N 366.896 4.879 0 50 FJAA COCCN1C(=O)CC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 334162598 BWUZCBDITISIHN-GOSISDBHSA-N 368.864 4.798 0 50 FJAA CCCC[C@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@@H](C(C)C)O1 1615937461 BJOFBIUWPWKHLY-OALUTQOASA-N 370.493 4.706 0 50 FJAA CC(=O)c1ccc(-c2nc(=O)c3sc(-c4cccc(Cl)c4)cc3[nH]2)o1 1875337700 ZOIZBAAUYWTNCT-UHFFFAOYSA-N 370.817 4.768 0 50 FJAA Cc1cc(Nc2ccc(N3CCOCC3)cc2)c2cc(Cl)ccc2n1 948643 JPIYMAWKDGOCGR-UHFFFAOYSA-N 353.853 4.777 0 50 FJAA O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 995016 JWMSDPFSZHAAIS-LBPRGKRZSA-N 372.877 4.526 0 50 FJAA O=C(CSCc1ccc(Br)cc1)Nc1cccc(Cl)c1 1110739 BFPADNGJUNJCIY-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 1175655 WQGWMIPBITVVSC-UHFFFAOYSA-N 365.241 4.866 0 50 FJAA CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@H](C)C2 2084697 XGBDLQUAHWZYTC-NSHDSACASA-N 361.463 4.593 0 50 FJAA CCCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@@H](C)C2 2115123 ZCCOUEOPEPMHCK-BUUCAEBMSA-N 373.474 4.685 0 50 FJAA Cc1nn(C)c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c12 2741159 BZDGAQQLQRVHBD-UHFFFAOYSA-N 357.282 4.564 0 50 FJAA COC(=O)c1ccc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1 2852344 XYOOUKZKPPXRHV-UHFFFAOYSA-N 353.205 4.732 0 50 FJAA Cc1ccccc1Cn1ccc(NC(=S)Nc2ccc(Cl)cc2)n1 8571199 IZIGJTFFYHJKDH-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@H]2c2cc(C)on2)c2ccc(C)c(C)c2n1 77422303 QYTCWISYVPWKPK-FQEVSTJZSA-N 363.461 4.824 0 50 FJAA CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc([C@@H]2CCCNC2)c1 95384147 BQMUFEATOVGXAN-QGZVFWFLSA-N 374.887 4.608 0 50 FJAA Cc1ccnc2sc(C(=O)N3CC[C@H](C)c4cccc(O)c43)c(C)c12 408268763 OLGXKCVNJOSOQP-NSHDSACASA-N 352.459 4.773 0 50 FJAA CCc1oc2c(NC(=O)N3CCCC[C@@H]3c3nc(C)no3)cccc2c1C 426567161 WWGZAUPAAYWBOL-MRXNPFEDSA-N 368.437 4.754 0 50 FJAA CC[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)cc1 426689297 QSFBMVNWVCQAAB-JOCHJYFZSA-N 363.457 4.971 0 50 FJAA CCc1nc(-c2ccc(C(=O)N(C)CCC[C@@H]3CCCO3)cc2)ccc1C 584886730 MSHQVWZHZOEZNW-HXUWFJFHSA-N 366.505 4.651 0 50 FJAA C[C@@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)c1ccc(Cl)cc1 1463335833 PICGFONPDHDDEH-GFCCVEGCSA-N 355.800 4.678 0 50 FJAA CC1=CC2(CCN(Cc3cc(Cl)cc4c3OCC4(C)C)CC2)OCC1 1704314765 SBKYZSXMHXVZRS-UHFFFAOYSA-N 361.913 4.711 0 50 FJAA Cc1cc(Br)ccc1NC(=O)CSCc1ccccc1 641894 LZMAEASCJUBTSO-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA COc1ccc(C(=O)[C@@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)cc1 1170787 OTQJAXMOSUVXPJ-JYFCICGUSA-N 372.420 4.876 0 50 FJAA biogenic COc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c(OC)c1 1201658 VXSCTXVWAKMJPP-UHFFFAOYSA-N 364.426 4.719 0 50 FJAA O=C1C[C@@H](c2cccc(Cl)c2Cl)c2c(c3ccccc3oc2=O)O1 1426881 XMKJOSCDTNOGNK-NSHDSACASA-N 361.180 4.541 0 50 FJAA Cc1ccccc1NC(=O)CSCc1cccc(Br)c1 2964929 KNWZSOIZPMVALI-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA Cc1ccc(NC(=O)N2CCCC[C@@H]2C)c(NC(=O)N2CCCC[C@H]2C)c1 4776127 QRFCWAJRAAZCNU-DLBZAZTESA-N 372.513 4.808 0 50 FJAA CC(C)CC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 11816810 CDGMVZVTSJUCRC-IBGZPJMESA-N 365.473 4.946 0 50 FJAA c1cc(CNC2CCN(c3ccc(-c4cscn4)cc3)CC2)cs1 23153530 LCEUFYJDGHDSJP-UHFFFAOYSA-N 355.532 4.630 0 50 FJAA CC(C)c1cc(C2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)n[nH]1 67804103 PSPWMLIZTUJKGU-FQEVSTJZSA-N 357.498 4.747 0 50 FJAA O=C(Nc1ccc(SCc2ccco2)cc1)N[C@H]1COC2(CCCC2)C1 96141516 GPCNIIYXWAWPGX-MRXNPFEDSA-N 372.490 4.795 0 50 FJAA CC[C@]1(CO)CCCN(C(=O)c2cccc(-c3c(C)cccc3Cl)c2)C1 584895152 FASDLBGPPPJJDA-QFIPXVFZSA-N 371.908 4.940 0 50 FJAA CCCCCn1cc(C(=O)N[C@@H](C)[C@](C)(OC)C2CC2)c2ccccc21 1875357632 OOEFNTYGURRSEC-AOMKIAJQSA-N 356.510 4.765 0 50 FJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(O[C@H]3CCCCC3=O)ccc12 622146 IWJNBOGBMZCUQQ-NRFANRHFSA-N 362.425 4.583 0 50 FJAA biogenic CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCC)cc2)sc(C)c1C 947446 AJYWOBFFJNUVJL-FMIVXFBMSA-N 373.474 4.592 0 50 FJAA COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 1150198 DEJMEVCJSZYXHW-LBPRGKRZSA-N 363.866 4.554 0 50 FJAA Cc1cc2nc(SCCOC(=O)Nc3ccccc3)nc(C)c2cc1C 1883269 OEKQBOSRQSNZJK-UHFFFAOYSA-N 367.474 4.896 0 50 FJAA Cc1nnc(SCCOc2ccccc2Cl)n1-c1ccc(F)cc1 2128538 CUPXEYWSHKRFCE-UHFFFAOYSA-N 363.845 4.539 0 50 FJAA CCCCOc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 2352961 XNPWVUGQHINNPC-UHFFFAOYSA-N 371.436 4.918 0 50 FJAA C[C@@H](NC(=S)Nc1ccc(Br)cc1Cl)c1ccncc1 2853822 ONOAGPCVEVIFMJ-SECBINFHSA-N 370.703 4.545 0 50 FJAA COc1ccc(CSCC(=O)Nc2cc(Cl)ccc2Cl)cc1 2860940 QBAIFRKSWSQVDH-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA CC1CCN(CCCCOc2ccc(Cl)cc2Br)CC1 2956241 JYXWYVUOZQMKBO-UHFFFAOYSA-N 360.723 4.993 0 50 FJAA COc1cccc(NC(=O)c2ccc(-c3ccc(OC)c(Cl)c3)o2)c1 4542874 NPTJNWAGZNAVBC-UHFFFAOYSA-N 357.793 4.870 0 50 FJAA COc1cc(C=O)ccc1OCCCOc1cccc(Cl)c1Cl 4702087 YDFOPJAQRSMSAD-UHFFFAOYSA-N 355.217 4.662 0 50 FJAA COc1ccc(CSCCc2n[nH]c(=S)n2-c2ccccc2)cc1C 13152805 PXYCSTPYCYPSIT-UHFFFAOYSA-N 371.531 4.723 0 50 FJAA C/C=C(\C)CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 15070537 YPQMFIJWBZMBHW-LZWSPWQCSA-N 366.486 4.830 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc(F)cc3F)C2)cc1 19300286 JYZIYSDUIJRZFQ-INIZCTEOSA-N 371.406 4.874 0 50 FJAA C[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)c2ccccc2S1 171405859 WVURXYZNUOCJHT-CYBMUJFWSA-N 367.499 4.736 0 50 FJAA Cc1cccnc1NC(=O)C[C@@H](c1cccc2ccccc12)n1cccc1 263587831 LSTINQZNHLAJHB-NRFANRHFSA-N 355.441 4.963 0 50 FJAA O=C1C[C@@H](c2ccncc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 409415469 KWEAHRNYHMEIBU-SFHVURJKSA-N 371.415 4.698 0 50 FJAA CC(=O)c1sccc1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1 426421826 JVWTVVUSLKPXNK-SFHVURJKSA-N 371.502 4.649 0 50 FJAA Cc1ccc(-c2cc(CSCc3nccn3CC(F)(F)F)on2)cc1 437262140 JFJOMAMEAXTUNL-UHFFFAOYSA-N 367.396 4.842 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H](c3ccccc3)[C@@H]2C1 1875338640 FKTLRBINRXFDLD-BHIYHBOVSA-N 359.391 4.971 0 50 FJAA O=C(Nc1ccc(Br)cn1)Nc1ccc(Cl)cc1Cl 864644 NFFONNSPZLZYKB-UHFFFAOYSA-N 361.026 4.795 0 50 FJAA COc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccccc2)cc1 872735 FTAIFSPPZCYHAM-UHFFFAOYSA-N 361.401 4.592 0 50 FJAA COc1ccc(Cl)cc1-c1nc(-c2cc(C)nc3ccccc23)no1 1426807 LKVNAJZTCZQTKY-UHFFFAOYSA-N 351.793 4.922 0 50 FJAA CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1 2145312 VKGNVFOZXRHMDP-UHFFFAOYSA-N 356.491 4.609 0 50 FJAA Cc1cccc(Cc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)c1 2844568 YTOXBJZLSJQXEM-UHFFFAOYSA-N 365.502 4.987 0 50 FJAA Oc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3OCCC[C@@H]23)c1 16651216 HCJUXBVEXDTXEU-JCGIZDLHSA-N 360.251 4.789 0 50 FJAA CCC[C@H](C)c1c(-c2ccccc2)ncn1C1CCN(C(=O)NCC)CC1 65369729 NOMHYKRGWQNTBR-KRWDZBQOSA-N 368.525 4.820 0 50 FJAA BrC1(Br)[C@]23CCCC[C@@]12Cc1ccccc1C3 104928380 DFFOCZGXDRQXJY-KBPBESRZSA-N 356.101 4.832 0 50 FJAA Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N2CCC[C@@H]2C)c1C 173246260 CIGSWBZXKNWVIQ-JTQLQIEISA-N 367.280 4.812 0 50 FJAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181097426 FWGPZOTZTXKKGT-TZMCWYRMSA-N 370.403 4.910 0 50 FJAA Cc1nccn1-c1ccc([C@H](C)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1 246967650 JDUMCZWZNFZMKX-JJEOQYAHSA-N 361.489 4.752 0 50 FJAA CSc1cccc(NC(=O)N(Cc2cccc(C)c2)C[C@H]2CCCO2)c1 252486856 HPKOAZNHYPYIET-LJQANCHMSA-N 370.518 4.930 0 50 FJAA Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3ccccc3C)CC2)cc1F 483410356 QJLFETQROCIKEX-SFHVURJKSA-N 368.496 4.532 0 50 FJAA Cc1cccc(N2CC[C@H](NC(=O)c3cc(-c4ccccc4)oc3C)C2)c1 1875340655 LVDILBUWQQSEPT-IBGZPJMESA-N 360.457 4.572 0 50 FJAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cccs1 673533 PQDZHGRGDGXCIO-MDZDMXLPSA-N 369.467 4.915 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(Cl)c1Cl 1151670 QKXJPMAFABSBPC-UHFFFAOYSA-N 352.246 4.601 0 50 FJAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1226879 ABOLSSSSSTUCAL-UHFFFAOYSA-N 369.286 4.525 0 50 FJAA CCOC(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 2739623 MLELSFWJXWBAAV-UHFFFAOYSA-N 361.397 4.908 0 50 FJAA COCc1c(F)c(F)c(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(F)c1F 3612939 OOWCJRMYMAMSOH-QWHCGFSZSA-N 374.374 4.671 0 50 FJAA in-vitro CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1/C=C/c1ccccc1 4012073 ZNKNAXAEIQOUQG-CURJHWMZSA-N 360.457 4.645 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)n1 4841015 SZIBZCHXYQDBAD-UHFFFAOYSA-N 365.820 4.548 0 50 FJAA ON1C(c2cccc(Br)c2)=NNc2cc(Cl)c(Cl)cc21 6471263 WVWYPFDCSNYHIT-UHFFFAOYSA-N 373.037 4.739 0 50 FJAA Cc1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 6969242 SWVMSWKSONKMPQ-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 12242620 ZPNSOHUNLGXFFF-JKSUJKDBSA-N 357.448 4.891 0 50 FJAA CSc1ccc2c(C)cc(N3CCN(c4ccc(F)cc4)CC3)nc2c1 16671292 HSFQVAVEWQZJEW-UHFFFAOYSA-N 367.493 4.731 0 50 FJAA c1ccc(-c2ccc(-c3n[nH]c4c3CN([C@H]3CCSC3)CC4)cc2)cc1 19782049 UPFVSNIYMCQBOE-IBGZPJMESA-N 361.514 4.607 0 50 FJAA O=C(c1ccc(Cl)cc1F)N1CCCC[C@H]1CCc1cccc(O)c1 82087713 QXKABBNXJCCFCT-INIZCTEOSA-N 361.844 4.812 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CC[C@@H](c2ccccc2F)C1 82098511 ADFPLEWMEBDQGB-GFCCVEGCSA-N 358.463 4.640 0 50 FJAA CC[C@H](C)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)ns2)on1 155321382 RYQJJYFWMZPQCY-VIFPVBQESA-N 362.842 4.612 0 50 FJAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C2 1704337025 QKHDQKWIINRRCM-WBVHZDCISA-N 357.281 4.806 0 50 FJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C 1875318615 JHQUTHBDVPAOMH-UHFFFAOYSA-N 367.898 4.890 0 50 FJAA Fc1ccc(Oc2ncc(-c3cccc4c3OC(F)(F)O4)cn2)c(F)c1 1875326356 HVUCHDVCWJXHDK-UHFFFAOYSA-N 364.254 4.536 0 50 FJAA Cc1c(CSc2nnnn2-c2ccccc2)cccc1-c1ccccc1 662814 QFLMVICQCHBBIU-UHFFFAOYSA-N 358.470 4.930 0 50 FJAA C[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1118565 KQVYVWYJWZGIJK-VIFPVBQESA-N 361.722 4.904 0 50 FJAA COc1ccccc1/C=C/C(=O)Nc1ccc(OCc2ccccc2)cc1 1138458 YZCZQZUEENRSRD-LFIBNONCSA-N 359.425 4.926 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(Br)cc2C)ccc1Cl 1179215 YVYHTKNHKDLQQQ-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1 1533114 AFSOIHMEOKEZJF-UHFFFAOYSA-N 374.484 4.978 0 50 FJAA investigational CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1ccco1 2870445 DMKORDTXFDWNMV-UHFFFAOYSA-N 369.442 5.000 0 50 FJAA CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 2992870 ICOFQJQGSZSRRC-UHFFFAOYSA-N 364.401 4.573 0 50 FJAA O=c1c2ccccc2ncn1CCCOc1ccccc1-c1ccccc1 3001948 DVCQOKJDAKUMJO-UHFFFAOYSA-N 356.425 4.533 0 50 FJAA COc1cc(Br)c(CNC(C)(C)CC(C)(C)C)cc1OC 4820424 ZKDCJJSHYGMRJN-UHFFFAOYSA-N 358.320 4.771 0 50 FJAA Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1noc(C2CC2)n1 119503125 FLJLVZGWEFATSY-ZDUSSCGKSA-N 354.479 4.572 0 50 FJAA Cn1cc(CC(=O)Nc2cnccc2-c2cccc(F)c2)c2ccccc21 225463758 WRKWCAUZJGCRKN-UHFFFAOYSA-N 359.404 4.561 0 50 FJAA COc1ccc(CN(C)Cc2cncn2C2CCCCC2)c2cccnc12 243915057 BMHJOQKGMYDPDX-UHFFFAOYSA-N 364.493 4.577 0 50 FJAA Fc1ccc(C[n+]2cn(Cc3ccc(Cl)cc3)c3ccccc32)cc1 261490711 GRNXZOCZCRXXSI-UHFFFAOYSA-N 351.832 4.818 0 50 FJAA Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cc1F 281260209 ASEDUFMDDMZZGT-HNNXBMFYSA-N 371.243 4.625 0 50 FJAA C[C@@H](NC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1)C1=CCCCC1 299760483 TWNYFJFVDQMNRZ-MRXNPFEDSA-N 364.489 4.595 0 50 FJAA CCSc1nc2ccc(NC(=O)N(C)Cc3cc(C(C)C)on3)cc2o1 299775811 KEKJZYSEMNWFAW-UHFFFAOYSA-N 374.466 4.715 0 50 FJAA Cc1cccc([C@H]2CCCN(C(=O)c3ccc(-c4cnn(C)c4C)cc3)C2)c1 534670780 YDEMEGDJXKSHLE-QFIPXVFZSA-N 373.500 4.724 0 50 FJAA C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1O 1875264372 BCTWKEDUADTJPL-OAHLLOKOSA-N 366.848 4.844 0 50 FJAA O=C(N[C@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1cc(O)nc2ccccc12 1875341004 CAINAEHOVHIIHG-WBVHZDCISA-N 364.420 4.536 0 50 FJAA COc1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 643761 BGGYNUVTTCMVAQ-UHFFFAOYSA-N 365.410 4.601 0 50 FJAA CCN(CC)C(=O)Oc1ccc2ccc(OC(=O)N(CC)CC)cc2c1 938389 FPLYJURPYAOZDR-UHFFFAOYSA-N 358.438 4.521 0 50 FJAA Cc1cc(C(F)F)nc2sc(C(=O)c3ccc(F)cc3F)c(N)c12 1002398 SCAFVXDIGRQFIW-UHFFFAOYSA-N 354.328 4.634 0 50 FJAA Cc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 1059269 PYGVKAJCZJLMHL-UHFFFAOYSA-N 368.698 4.538 0 50 FJAA O=C(Nc1nc2ccccc2s1)c1cc(Br)ccc1Cl 1179007 VOAWNKKUCGSFHO-UHFFFAOYSA-N 367.655 4.965 0 50 FJAA O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1 1415115 LZZSUPLKWJJIJD-UHFFFAOYSA-N 373.890 4.590 0 50 FJAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 1778013 FVTDZJZRNUJAKU-LFYBBSHMSA-N 360.251 4.890 0 50 FJAA CCCCNc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 2289246 QPYFSZCRIWSGEJ-UHFFFAOYSA-N 356.495 4.611 0 50 FJAA COc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1OC 2851340 KTCLVAXONKOYLM-JTQLQIEISA-N 369.248 4.893 0 50 FJAA O=C(O)[C@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 4648782 YVOZWUIIIMDJDK-OAHLLOKOSA-N 362.248 4.519 0 50 FJAA CCOP(=O)(OCC)[C@H](Nc1cccc(C)n1)c1ccccc1OC 4698545 JDJVVFBLHUWABS-SFHVURJKSA-N 364.382 4.775 0 50 FJAA Fc1ccc([C@H]2CCCCN2Cc2nc(CCc3ccccc3)no2)cc1 12075599 UPFKSYLNJVYZGJ-HXUWFJFHSA-N 365.452 4.721 0 50 FJAA CN(Cc1nccs1)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl 12762885 HBHKXDRUAROFLB-KRWDZBQOSA-N 370.905 4.977 0 50 FJAA COc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(OC)c1 13329929 LDASVTDITOPLRD-SNVBAGLBSA-N 369.248 4.893 0 50 FJAA CCOC(=O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18254440 SQRNFGHOYRQGLI-UHFFFAOYSA-N 373.861 4.504 0 50 FJAA COc1ccc2cc([C@@H]3CN(CCC(F)(F)C(F)F)CCO3)ccc2c1 71735970 SMWNDIHGFQCLNL-KRWDZBQOSA-N 371.374 4.512 0 50 FJAA c1cncc(CNc2cc(-c3ccc4ccccc4n3)c3cc[nH]c3n2)c1 72148807 SUNDEJMCYNAPKA-UHFFFAOYSA-N 351.413 4.785 0 50 FJAA O=C(O)c1ccc([C@@H]2CCN(c3ccc4cc(Cl)ccc4n3)C2)cc1 77377424 SLJMBCLBGLKMRS-MRXNPFEDSA-N 352.821 4.580 0 50 FJAA CC(C)[C@@H]1N(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC12CCC2 253428754 BGBMSHNPSSTLER-INIZCTEOSA-N 362.399 4.572 0 50 FJAA COc1cc(N[C@@H](C)c2nccc3ccccc23)ccc1N1CCCC1=O 810233298 JJWFYRLIDSTYOB-HNNXBMFYSA-N 361.445 4.543 0 50 FJAA COc1cccc(Oc2ccc(NC(=O)CC[C@H]3CCCN(C)C3)cc2)c1 824785259 SMQILNHXBQHRHS-QGZVFWFLSA-N 368.477 4.548 0 50 FJAA CN(CC1(O)CCCC1)C(=O)Nc1ccccc1Sc1ccccc1 1875264943 AEKANENFPUZTDU-UHFFFAOYSA-N 356.491 4.607 0 50 FJAA O=C(CCCCc1ccc(F)cc1)NCc1ccc(-c2ccncc2)cc1 2325743384 LAPNLKJYAJSEQK-UHFFFAOYSA-N 362.448 4.917 0 50 FJAA COc1ccc(Nc2nc(-c3cccc(NC(C)=O)c3)cs2)c(OC)c1 813395 GADFVFXGIRDUDR-UHFFFAOYSA-N 369.446 4.529 0 50 FJAA O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1ccccc1 1057317 MOXXAOLSVFWWTC-FQEVSTJZSA-N 353.377 4.543 0 50 FJAA Cc1ccccc1C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1 1157424 YPLPKEFGOGLZLZ-UHFFFAOYSA-N 374.509 4.712 0 50 FJAA Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1 1186401 NLBONVJDKYFCDD-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA C[C@@H]1CCCN(CCCCOc2ccc(Br)cc2Cl)C1 2824903 KYUJTORQOPNBTE-CYBMUJFWSA-N 360.723 4.993 0 50 FJAA COC(=O)c1ccc(C)c(NC(=S)Nc2cccc3ccccc23)c1 2858641 XGAPBNBLSJXNPV-UHFFFAOYSA-N 350.443 4.744 0 50 FJAA COc1cc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)ccc1F 11705334 IYOFTROSBVRMBB-INIZCTEOSA-N 373.493 4.651 0 50 FJAA COc1cccc(-c2cn[nH]c2C2CCN(Cc3cccs3)CC2)c1 12218494 MLPYVGSVASDAKA-UHFFFAOYSA-N 353.491 4.526 0 50 FJAA Cc1ccc(-n2c(S)nnc2CCSCc2cccc(F)c2)c(C)c1 17076514 WYOFNHPAXKZQMC-UHFFFAOYSA-N 373.522 4.788 0 50 FJAA CCCN1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 95506694 UAKDROIOJRBSEX-LJQANCHMSA-N 361.489 4.895 0 50 FJAA Fc1ccccc1OC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 215020659 BNIATXQAOOWUQZ-HNNXBMFYSA-N 365.395 4.718 0 50 FJAA O=C(NCCc1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccco1 442797960 XOWXOBZCOLQYRM-UHFFFAOYSA-N 373.456 4.715 0 50 FJAA Cc1nc(CC(=O)Nc2cc(Cl)ccc2N2CCC[C@@H](C)C2)cs1 822416769 HZOWPCJOAQMBBD-GFCCVEGCSA-N 363.914 4.522 0 50 FJAA Oc1cccc(CN(Cc2ccccc2C(F)(F)F)CC2CC2)c1F 1875346175 VQWIIVLWIBXYBA-UHFFFAOYSA-N 353.359 4.962 0 50 FJAA C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H]1C[C@@H]1c1ccccc1 2325728255 BKLZDBVKALOLFV-KNXBSLHKSA-N 358.441 4.796 0 50 FJAA COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1OC 903306 YYXDXXMUXFZNIX-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA COc1ccc(-n2c(SCCC(C)C)nc3ccccc3c2=O)cc1 1070562 CALDJIKOMJWBPU-UHFFFAOYSA-N 354.475 4.533 0 50 FJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Br)cc1 1108219 TTWQRHJJMQVNCL-UHFFFAOYSA-N 370.250 4.504 0 50 FJAA CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 1113517 FZNDCFAQYJVXBW-UHFFFAOYSA-N 356.425 4.987 0 50 FJAA COc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 1164582 JYYPMLDTBYAVCH-JOCHJYFZSA-N 360.409 4.785 0 50 FJAA CCC(=O)N(c1ccccc1)C1CCN([C@@H](C)Cc2cccs2)CC1 1850106 YPOXDUYRRSUFFG-KRWDZBQOSA-N 356.535 4.587 0 50 FJAA in-man FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2cccnc2)n1 2338338 VGGVWXJWWBYLBZ-UHFFFAOYSA-N 364.758 4.823 0 50 FJAA Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)c(OC(F)F)c1 2856051 SMNHNJFVCHCDPV-UHFFFAOYSA-N 356.825 4.736 0 50 FJAA CCc1cn[nH]c1[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1 11785122 WGKYGAJTYBUSRQ-QFIPXVFZSA-N 359.517 4.984 0 50 FJAA Cc1nc2sc(-c3nc4ccccc4[nH]3)c(N)c2c(C)c1Br 12444684 ZKTIMXUWSONOAK-UHFFFAOYSA-N 373.279 4.801 0 50 FJAA C[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O 13550021 BDNYCYNGFJHZGR-SECBINFHSA-N 363.642 4.930 0 50 FJAA Fc1ccccc1[C@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 20905904 FDTBVJTVULTNGJ-AWEZNQCLSA-N 357.816 4.519 0 50 FJAA COc1c(Br)c(Br)c(C)c2c1[C@@]1(C)C=C[C@@]2(C)O1 101016852 QEXOPMVYGHTVNZ-ZIAGYGMSSA-N 374.072 4.559 0 50 FJAA Cc1ccc(OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cc1C 299745083 WBFJKRGCSDECCR-AZUAARDMSA-N 350.418 4.511 0 50 FJAA CCc1ccc2oc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c(C)c2c1 334162703 QKGSQHRPGNIOIA-UHFFFAOYSA-N 363.392 4.881 0 50 FJAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(F)ccc2OC)cc1 426514580 DNUAXIHDBIBWFS-IBGZPJMESA-N 371.452 4.533 0 50 FJAA Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)[C@@H]3CCCO3)c3ccccc32)cc1 686898 QOFKWWKJHDRNGC-URXFXBBRSA-N 363.501 4.995 0 50 FJAA S=c1sc2c(N3CCc4ccccc43)ncnc2n1-c1ccccc1 752981 FRCJUGOVLIPTDO-UHFFFAOYSA-N 362.483 4.906 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl 1136328 VUZPUNOABHEZPC-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA CCOc1cc2oc(C)c(-c3cnn(-c4ccccc4)c3)c(=O)c2cc1CC 1151821 NZTCWZNUBSHWCS-UHFFFAOYSA-N 374.440 4.915 0 50 FJAA Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)O)Cc1ccc(Cl)cc1 1171967 WCYGUXMNQWIJOV-CYBMUJFWSA-N 366.244 4.574 0 50 FJAA CC(C)(C[C@]1(C)OC(=O)N(CCc2ccccc2)[C@@]1(C)O)c1ccccc1 1430568 YJHBCMPHAAFJDH-GOTSBHOMSA-N 367.489 4.516 0 50 FJAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1Br 2858961 NDETUTYSZCUJIP-CYBMUJFWSA-N 362.267 4.980 0 50 FJAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nc(-c2ccccc2)no1 12613164 LLWRWXDNAYRWEN-JOCHJYFZSA-N 372.472 4.973 0 50 FJAA O=C(c1cccs1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 14954632 MAESMVVEVJTENF-IBGZPJMESA-N 371.502 4.501 0 50 FJAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccc(O)c2)C1 20203302 ZINILCAHPHYAPU-INIZCTEOSA-N 363.379 4.506 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1ccccc1F 36620758 NZOYEUQHENWIFW-GOSISDBHSA-N 354.356 4.597 0 50 FJAA FC(F)(F)c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 55543648 LQTMOPHBAIIQDL-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA COc1cccc(Nc2ccccc2C(=O)Nc2cccc(O)c2F)c1 128852166 JIKUMDOFRKYCBL-UHFFFAOYSA-N 352.365 4.536 0 50 FJAA Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 154027183 CDYPXLNIVUSGHV-UHFFFAOYSA-N 365.792 4.697 0 50 FJAA O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 186845405 OMVXZOHGJNRUMP-GOSISDBHSA-N 373.815 4.566 0 50 FJAA O=C(N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H](c1ccccc1)C1CC1 225481891 RXSOSWXDLYFTKM-UHOSZYNNSA-N 370.290 4.615 0 50 FJAA CN(C(=O)Nc1nc(C2CCOCC2)cs1)[C@@H]1CCC[C@H]1C(C)(C)C 333582079 ABEXPSKBOVMHEU-GDBMZVCRSA-N 365.543 4.716 0 50 FJAA COC[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C1CC1 441575453 RVVBDKWRXLNPSZ-SFHVURJKSA-N 363.379 4.527 0 50 FJAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(CN3CCCCC3)s1)C2 1704344866 PSDHWDOINWLPJQ-RTWAWAEBSA-N 362.583 4.515 0 50 FJAA Cc1ccc(SCC(=O)Nc2ccc(Br)c(C)c2)cc1 624556 HGHVJGZKISEONX-UHFFFAOYSA-N 350.281 4.797 0 50 FJAA CCOc1cccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)c1 672178 AXFQZXARULYMCN-UHFFFAOYSA-N 369.424 4.948 0 50 FJAA CCOC(=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 1192105 JTBUNFLJCODHFI-UHFFFAOYSA-N 360.818 4.951 0 50 FJAA CC(C)=CCC[C@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccccc23)[C@@]1(C)O 1444463 RTLURPZWLVMLPH-VXKWHMMOSA-N 370.493 4.685 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 2783035 OANHBLABKUBWFB-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA COc1ccccc1CCNC(=S)Nc1cccc(Cl)c1Cl 2858330 OCGXZXPOSOPYNK-UHFFFAOYSA-N 355.290 4.531 0 50 FJAA CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 5092019 LLGKQAVFOOLYNJ-UHFFFAOYSA-N 360.504 4.613 0 50 FJAA biogenic Cc1c(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)oc2c(F)cccc12 11843266 WAYWMXRHALHPEK-ZDUSSCGKSA-N 371.433 4.677 0 50 FJAA CC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 13519802 VJNNEMJBSIAXJB-UHFFFAOYSA-N 353.274 4.683 0 50 FJAA CCC[C@H](C)c1nnc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)s1 20256645 AXUCKWYUAAFTAF-QWHCGFSZSA-N 362.474 4.602 0 50 FJAA Fc1ccccc1Nc1ncc(CN2CCC[C@@H]2c2ccccn2)s1 23191662 MQRZFLTZAFJYSE-GOSISDBHSA-N 354.454 4.758 0 50 FJAA CC(C)c1nc([C@H]2CC(=O)Nc3c2c(C(C)C)nn3-c2ccccc2)co1 65380374 MPRDCCJTYZGYOS-OAHLLOKOSA-N 364.449 4.581 0 50 FJAA Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(Cl)c1 169775602 HONQTSQFCTUAEN-UHFFFAOYSA-N 363.808 4.899 0 50 FJAA O=C(NCC1CCCCCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 170630107 FNSAIOOUFBPHHH-UHFFFAOYSA-N 374.369 4.873 0 50 FJAA CSCc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)C(C)C)o1 952983206 IXYHRBUJKYARDT-UHFFFAOYSA-N 356.491 4.717 0 50 FJAA CNC(=O)c1ccc(CN(C)[C@H](c2ccccc2)c2ccccc2C)cc1 2325721885 JVKLJEWOGUSCMG-HSZRJFAPSA-N 358.485 4.576 0 50 FJAA Cc1ccncc1C(=O)Nc1ccc(Oc2cccc3cccnc23)cc1 2325736625 XKWMFYYMJKLUIS-UHFFFAOYSA-N 355.397 4.983 0 50 FJAA COc1ccc(-c2ccc(F)c(-c3nccn3C[C@@H](C)OC)c2)cc1F 2356161676 FIYXAVNBOVNRQC-CYBMUJFWSA-N 358.388 4.539 0 50 FJAA COc1ccccc1-c1c(C)nn2c(N)c(-c3ccc(Cl)cc3)cnc12 640140 SAAMPEXJDJWKLQ-UHFFFAOYSA-N 364.836 4.616 0 50 FJAA Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@H]3CC[C@@H](C2)N3C)c1 848796 KVPMZTMVCZWXSC-PKTZIBPZSA-N 374.528 4.739 0 50 FJAA Cc1sc2ncnc(SCC(=O)Nc3ccccc3Cl)c2c1C 888549 ISPZTKXWOUDJRX-UHFFFAOYSA-N 363.895 4.692 0 50 FJAA Cc1ccc(C(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N 1081174 HJSYPLCSZPEDCQ-UHFFFAOYSA-N 362.317 4.879 0 50 FJAA in-vitro COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 1130296 ISERSPDXGGXUDB-UHFFFAOYSA-N 362.816 4.715 0 50 FJAA COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2C)cc1OC 1184243 YRGZMPZXHAPDGP-UHFFFAOYSA-N 372.421 4.527 0 50 FJAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C(Cl)(Cl)Cl 1207486 GNXYKXJTOCXXNQ-UHFFFAOYSA-N 355.608 4.804 0 50 FJAA Cc1cccc(O[C@H](C)c2nc(-c3cccc(Br)c3)no2)c1 4832040 TVGXWMRHJJEYHW-GFCCVEGCSA-N 359.223 4.948 0 50 FJAA CSc1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc1 19361472 LMAWUIGHYCDTFN-UHFFFAOYSA-N 362.542 4.880 0 50 FJAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)on1 21719692 RBCWPGHUIHNLHJ-IBGZPJMESA-N 374.506 4.557 0 50 FJAA CC(C)Oc1ccc(COc2ccc(C[C@H](C)C(=O)O)cc2Cl)cc1 45068583 NITWBBQHZOWOKQ-AWEZNQCLSA-N 362.853 4.969 0 50 FJAA CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2cccs2)s1 77407759 FNWWKTHDUQKIRA-CQSZACIVSA-N 363.552 4.572 0 50 FJAA Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CCc3ccccn3)c(C)c2c1 91461760 CSYGTAMIYRBDHO-LJQANCHMSA-N 361.489 4.807 0 50 FJAA COc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3cccnc3)oc2c1 97480245 LJQXTTUQKUBAHE-SFHVURJKSA-N 350.418 4.512 0 50 FJAA Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1 101087835 RJJAJDIKKNDMMX-KRWDZBQOSA-N 357.244 4.949 0 50 FJAA c1ccc(Sc2ccc(CN[C@H]3CCO[C@]4(CCSC4)C3)cc2)cc1 157717587 AFINDETWDIFVAX-GHTZIAJQSA-N 371.571 4.982 0 50 FJAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1cc2ccccc2o1 182507328 XAZSXWRMWXBWAT-SFHVURJKSA-N 366.465 4.600 0 50 FJAA Clc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1Cl 239275111 BEZVXVHCCOVMBX-PMACEKPBSA-N 367.364 5.222 0 50 FJAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 252452329 CEURVGHEEKZXOH-WFASDCNBSA-N 364.898 4.574 0 50 FJAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(Sc3ccc(C)cc3)CC2)c1C 299782578 TURBYGIJOPEKRS-UHFFFAOYSA-N 370.518 4.539 0 50 FJAA CC(C)C[C@@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)c1cccnc1 299800967 JXYGTZYHJFUXFB-MYZSEDEFSA-N 372.578 4.987 0 50 FJAA CCN(C(=O)c1ccc(-c2ccc(F)cc2C)cc1)[C@@H]1CCCC[C@H]1O 426442680 PEABCSSDFQCGIF-NHCUHLMSSA-N 355.453 4.567 0 50 FJAA Cc1ncsc1CCN(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 827883331 PROBJQMNJPFVLI-UHFFFAOYSA-N 363.486 4.729 0 50 FJAA C[C@@H](c1ccc(CN2CCC(CO)(CC(F)F)CC2)cc1)C(F)(F)F 2325803874 HOFJHEULBWQJHK-ZDUSSCGKSA-N 365.386 4.582 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 671667 YVCAGIKQLYAEJS-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA O=C(COc1ccc(Br)cc1)Nc1ccc2ccccc2c1 725790 ODKDSEGGOFSRRB-UHFFFAOYSA-N 356.219 4.620 0 50 FJAA Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 1112742 VXRAFODLVIHMTQ-LJQANCHMSA-N 371.436 4.910 0 50 FJAA O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCC1 1120954 OXGJWQSTWLYCCS-UHFFFAOYSA-N 372.515 4.528 0 50 FJAA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1OC 1122579 LAPWYCCRLMHAAI-UHFFFAOYSA-N 361.441 4.865 0 50 FJAA COC(=O)[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCCC1 1132219 KZMQOQLSCRHZCT-HNNXBMFYSA-N 358.265 4.692 0 50 FJAA CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4)cc3n2)cc1 1167113 HOGRKCHAXJRLFC-UHFFFAOYSA-N 356.429 4.544 0 50 FJAA COc1ccc(-n2c(-c3ccccc3Cl)nc3ccccc3c2=O)cc1 1177661 UDBUXNRZOMHHCT-UHFFFAOYSA-N 362.816 4.715 0 50 FJAA COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)c1 1183186 LTMHQXOVJNQZQC-UHFFFAOYSA-N 353.418 4.530 0 50 FJAA Cc1cccc(Cl)c1NC(=O)c1ccccc1I 2532629 MLAQCYFNOBJCBA-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA COc1ccc2[nH]c(CN[C@H](C)c3cnn(-c4ccccc4)c3C)c(C)c2c1 11948754 PWGSXMSFTDHPJR-MRXNPFEDSA-N 374.488 4.830 0 50 FJAA COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 12080483 OBQVWYLPVNCYNB-UTKZUKDTSA-N 362.454 4.999 0 50 FJAA COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38849419 QEBKITMJMBIZEI-UHFFFAOYSA-N 372.896 4.977 0 50 FJAA C=C[C@](C)(C[C@H]1OC(C)(C)O[C@]12C[C@@H](C)CC1=C2C(=O)CC1)C(=O)CC 43763669 JPLZZXDRCVXQSV-YVUMSICPSA-N 360.494 4.528 0 50 FJAA O=C(c1cccnc1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71762464 RSYWUXYJUBKCQY-HNNXBMFYSA-N 362.395 4.585 0 50 FJAA Cc1cc2nccnc2cc1C(=O)N[C@H](C)c1ccc(F)c2ccccc12 2325842977 OHTRSLBQJYKVAG-CQSZACIVSA-N 359.404 4.722 0 50 FJAA COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1sccc1C 784157 ODIWJZOIYDDAQX-IBGZPJMESA-N 350.443 4.836 0 50 FJAA Cn1c2ccccc2c2cc(/C=C3/N=C(c4ccccc4)OC3=O)ccc21 823099 GHHSBCKBJNYJHB-XMHGGMMESA-N 352.393 4.676 0 50 FJAA biogenic COc1ccc(NC(=O)C[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 892484 ZLPJWVDXNJJBLG-HSZRJFAPSA-N 367.489 4.859 0 50 FJAA biogenic O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1 1091266 XFNLVHMZPNIKKD-QPEQYQDCSA-N 366.225 4.940 0 50 FJAA CCn1cc(Cl)c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)n1 2765842 QQYPJVDIQLUHER-UHFFFAOYSA-N 369.808 4.717 0 50 FJAA CC(C)CNC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 2843666 LDPRCYMRLGSSAD-UHFFFAOYSA-N 364.489 4.523 0 50 FJAA Cc1ccc(CSCCNC(=O)c2ccc(Cl)cc2Cl)cc1 2979711 VNIWEPXLMPZYKD-UHFFFAOYSA-N 354.302 4.965 0 50 FJAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCCC)cc2)cc1 4598694 BGKLDBMEKFUDMW-UHFFFAOYSA-N 370.518 4.945 0 50 FJAA Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1C 4758626 BDVOYSZRMHGYNN-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccccc2s1 5077470 NWXBYJUZQQJROK-ZDUSSCGKSA-N 354.475 5.000 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)c1 5626742 QJNDKXNVTNBMRP-CQSZACIVSA-N 350.443 4.557 0 50 FJAA Cc1cccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 6732681 ZRZFELZELDMTOQ-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)cc1 11938299 QTQURQGWNNWEOO-GOSISDBHSA-N 357.885 4.575 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1Cl 15940589 OOOVXTWRQBFGRR-UHFFFAOYSA-N 366.848 4.652 0 50 FJAA Cc1cc(C)nc(NC(=O)c2cccc(CN(C)[C@H](C)c3cccnc3)c2)c1 65407508 WBKXBLQARAVYHK-GOSISDBHSA-N 374.488 4.539 0 50 FJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1cccs1)CCO2 67869024 AWRBMAOKGHFVIA-UHFFFAOYSA-N 351.471 4.824 0 50 FJAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71575984 WTPZXYPQTZATBW-QGZVFWFLSA-N 350.437 4.792 0 50 FJAA O=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC[C@H](c2ccccc2)CC1 71613814 SZYFFRVDPQCGHS-IBGZPJMESA-N 372.468 4.864 0 50 FJAA COc1cccc(Oc2ccc(NC(=O)c3ccccc3C(C)=O)cc2)c1 468104965 ZDYFANBFNOSXTB-UHFFFAOYSA-N 361.397 4.942 0 50 FJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 498049497 YGKSWRFCMZRVMU-BPIQYHPVSA-N 374.521 4.624 0 50 FJAA COc1cccc(Oc2ccc(NC(=O)CC[C@@H]3CCCN(C)C3)cc2)c1 824785258 SMQILNHXBQHRHS-KRWDZBQOSA-N 368.477 4.548 0 50 FJAA CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cccn2C2CC2)cc1Cl 827617305 PEROQFGNTPAWRX-UHFFFAOYSA-N 359.857 4.713 0 50 FJAA Cn1c(CN2c3ccccc3OC[C@@H]2c2ccccc2)nc2ccccc21 1875335685 CHRVCHHNIQNKKD-OAQYLSRUSA-N 355.441 4.714 0 50 FJAA CCCC[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2)c2cccnc12 1875341362 QETGSRHHHDIXRJ-INIZCTEOSA-N 364.445 4.907 0 50 FJAA Cc1cccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 836806 CPGARAGFQWJFAK-MRXNPFEDSA-N 371.695 4.842 0 50 FJAA O=c1c2cc(-c3ccccc3)sc2ncn1Cc1c(F)cccc1Cl 955632 QDHADVUVPNBJEY-UHFFFAOYSA-N 370.836 4.966 0 50 FJAA CC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 1096482 BEKQFTZTNFWBNZ-UHFFFAOYSA-N 351.446 4.954 0 50 FJAA O=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 2826625 WSZLRFNSBRPHFN-FPYGCLRLSA-N 365.610 4.534 0 50 FJAA O=C(c1cc(Br)ccc1Cl)N1CCCc2ccccc21 2850500 ZZFWFWGKWDEBNK-UHFFFAOYSA-N 350.643 4.696 0 50 FJAA CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 6741204 CLIIRSQYNCNCNH-UHFFFAOYSA-N 364.396 4.671 0 50 FJAA COc1ccc(-c2nc(CN(C)[C@H](C)c3nccs3)c(C)o2)cc1C 11815133 CFEMDCRTPRZVSA-CYBMUJFWSA-N 357.479 4.617 0 50 FJAA O=C(CCC1CCN(C[C@H]2CC=CCC2)CC1)NCc1cccc(Cl)c1 12314741 GWAOZRGPDWLTSL-IBGZPJMESA-N 374.956 4.805 0 50 FJAA COc1cccc(-n2c(/C=C\c3cccc(C)c3)nc3ccccc3c2=O)c1 32639548 ZWYMSHDXJAUGFG-YPKPFQOOSA-N 368.436 4.873 0 50 FJAA C[C@@H](O)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 41151213 VUBFROKUEHITHK-CQSZACIVSA-N 360.417 4.632 0 50 FJAA Cc1ccc2nc(-c3cncnc3)cc(C(=O)N(C)C3CCCCCC3)c2c1 63848919 VBZFEYZDFWHOGV-UHFFFAOYSA-N 374.488 4.795 0 50 FJAA Cc1[nH]c2ccc(C(=O)N3CCC[C@H](C(=O)c4ccccc4)C3)cc2c1C 77565248 AZPKQDQMRYRNSU-IBGZPJMESA-N 360.457 4.520 0 50 FJAA Cc1cnn(C2CCCC2)c1NC(=O)Cc1cccc(C(F)(F)F)c1 1529169011 PYGYATBPOROVLZ-UHFFFAOYSA-N 351.372 4.507 0 50 FJAA O=C(C[C@@H](Cc1ccccc1)c1ccccc1)Nc1nccn1CC1CC1 1875260590 SCEXMHCBSVTNIF-OAQYLSRUSA-N 359.473 4.648 0 50 FJAA O=Cc1cn(-c2ccccc2F)nc1-c1cc(F)c(Cl)cc1Cl 732228 VRHDTGRCFZOFEI-UHFFFAOYSA-N 353.155 4.937 0 50 FJAA S=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 1002806 LIAITAOBLMLXBL-UHFFFAOYSA-N 366.317 4.512 0 50 FJAA O=C(Nc1ccccc1Br)c1ccc2c3c(cccc13)CC2 1125083 TYGHTQURAVQANL-UHFFFAOYSA-N 352.231 4.953 0 50 FJAA CC(C)Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 1140058 OVFJPHKGXGDPDK-UHFFFAOYSA-N 351.475 4.576 0 50 FJAA CC(C)C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2830697 VKUOVPCWAJRQOG-NSHDSACASA-N 357.322 4.899 0 50 FJAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(OC)c(OC)c1 2850866 YGXOPKZWJBDQQK-UHFFFAOYSA-N 374.506 4.819 0 50 FJAA O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1COc2ccccc2O1 2855934 MQXBCMZLBFASQV-IBGZPJMESA-N 363.438 4.616 0 50 FJAA CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1 3812918 UIEATEWHFDRYRU-XMMPIXPASA-N 366.549 4.830 0 50 FJAA biogenic,world COc1ccc(-c2noc(CSc3nc4ccccc4s3)n2)cc1 8447919 ZSVBYHRILIWXHJ-UHFFFAOYSA-N 355.444 4.647 0 50 FJAA O=C(CCC1CCN(Cc2c[nH]c3ccccc23)CC1)Nc1ccccc1 12297932 BRGTWSHTLWCVDB-UHFFFAOYSA-N 361.489 4.799 0 50 FJAA CC(C)CCN1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 12317915 UKRXLKSGUJDVER-NRFANRHFSA-N 367.493 4.713 0 50 FJAA Cc1ccc(CNC(=O)c2csc3nc(-c4ccccc4Cl)cn23)o1 12433780 XXRDELDYICQNIQ-UHFFFAOYSA-N 371.849 4.548 0 50 FJAA Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)s1 19111376 KOJQAGSLVQFMIS-MRXNPFEDSA-N 355.482 4.965 0 50 FJAA Cc1cnc(C)c(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)n1 67446666 KWXKJPPOMCJGNM-UHFFFAOYSA-N 352.265 4.788 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nn1 72437410 LZJHZEAQWOZPMV-UHFFFAOYSA-N 354.797 4.875 0 50 FJAA Cn1ccnc1-c1ccccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77407864 IODKCLKYHYPRFJ-HXUWFJFHSA-N 363.436 4.594 0 50 FJAA O=C(c1nc2ccccc2s1)N1CCC[C@@H](c2cc(F)ccc2F)C1 191535496 YBLYRLCFUMLFGW-GFCCVEGCSA-N 358.413 4.594 0 50 FJAA CC(C)C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 219261446 ZRXLQTIGWVSLNB-AWEZNQCLSA-N 374.403 4.583 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cc(F)ccc1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 247351421 CHVWEFCXKUCBPM-GKAQVKTCSA-N 355.384 4.960 0 50 FJAA CC(=O)O[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@]1(C)C3 504787688 CSADACRWWVVNQF-GDAQQSARSA-N 362.510 4.806 0 50 FJAA biogenic Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3CC[C@@H]3C3CC3)cccc2c1=O 2325748165 XMODSWLUTWFHIL-YLJYHZDGSA-N 373.452 4.687 0 50 FJAA CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C(=O)O)c1 954342 AOWURYHNXOUXSH-UHFFFAOYSA-N 370.792 4.507 0 50 FJAA CCOc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 975418 XSGUIJNTZZZTOF-UHFFFAOYSA-N 356.809 4.954 0 50 FJAA O=C1C[C@@H](c2cc(Br)ccc2F)c2cc3c(cc2N1)CCC3 1111183 BPYZYGMZONKYEK-ZDUSSCGKSA-N 360.226 4.551 0 50 FJAA COc1cc2c(cc1NC(=O)c1cccc(Br)c1)CCCC2 1151332 UPKVJEKYSCEUMK-UHFFFAOYSA-N 360.251 4.589 0 50 FJAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)C(C)(C)C)ccc12 1182210 OFDMSANRJROCGK-UHFFFAOYSA-N 364.441 4.686 0 50 FJAA COc1cc(OC)c(CNc2ccccc2SC)cc1Br 1229452 VOOLDJIWWQOREJ-UHFFFAOYSA-N 368.296 4.800 0 50 FJAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCc2ccccc2C1 2850522 UJLSSWWSJVZETN-UHFFFAOYSA-N 370.663 4.611 0 50 FJAA Cc1ncsc1CCC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11817998 DSAGNFIPBNWQQO-IBGZPJMESA-N 371.550 4.611 0 50 FJAA Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(-c3ccc(F)cc3)c2n1 20604281 KIKPMLNEHLGONA-UHFFFAOYSA-N 371.366 4.515 0 50 FJAA Fc1cccc(-c2ccc(N3CCC(NCc4nccs4)CC3)cc2)c1 20782728 IDLYUPONXLIDNI-UHFFFAOYSA-N 367.493 4.708 0 50 FJAA CC(C)c1cc(=O)[nH]c(-c2cccc(CN3CC[C@H]3c3ccccc3)c2)n1 23541513 PYDTZKFAFYJVIZ-NRFANRHFSA-N 359.473 4.507 0 50 FJAA C=C[C@](C)(C[C@H]1OC(C)(C)O[C@]12C[C@H](C)CC1=C2C(=O)CC1)C(=O)CC 43763667 JPLZZXDRCVXQSV-KCHGYLQPSA-N 360.494 4.528 0 50 FJAA CCCN(CCC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2 55556785 DNAJWEKWKGBMSY-UHFFFAOYSA-N 367.537 4.673 0 50 FJAA O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nccn2CC2CCC2)C1 95353135 NFJGFLYMLWDLKB-INIZCTEOSA-N 372.900 4.748 0 50 FJAA CCc1nc(-c2ccc(C(=O)N(C)CCC[C@H]3CCCO3)cc2)ccc1C 584886729 MSHQVWZHZOEZNW-FQEVSTJZSA-N 366.505 4.651 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)OCC4)cc2)no1 584898064 SHDYHMYGJQHZLY-NRFANRHFSA-N 374.440 4.562 0 50 FJAA Clc1ccc(CNC2CCN(CCc3ccccc3)CC2)cc1Cl 757576 HDPDAAGGPRDOPH-UHFFFAOYSA-N 363.332 4.790 0 50 FJAA Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1 1104439 QPYDWDNWCVQCOA-UHFFFAOYSA-N 366.442 4.643 0 50 FJAA CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 1121408 QZLKERNBLYGLAN-OAHLLOKOSA-N 354.450 4.711 0 50 FJAA Cc1ccccc1OCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 1143767 FDBWRTMLKIQKEH-UHFFFAOYSA-N 370.408 4.590 0 50 FJAA O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccccc1Cl 1181682 FKZACCDVOSQJEX-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA COC(=O)c1ccccc1SCc1c(-c2ccccc2)nn(C)c1Cl 3047448 ZIUHZTPBFMAQHT-UHFFFAOYSA-N 372.877 4.819 0 50 FJAA COc1ccccc1[C@H]1CN(Cc2cccc(C)n2)Cc2ccccc2O1 12126308 MLXJSPDFMKDBTM-HSZRJFAPSA-N 360.457 4.535 0 50 FJAA CCCN(C[C@H]1CCCO1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 12705247 CTFRAHIDMMWMPC-GOSISDBHSA-N 370.493 4.907 0 50 FJAA COC(=O)c1c(NC(=S)N2CCCCC2)sc(C)c1-c1ccccc1 13825890 DNYRAKQGXMZYRK-UHFFFAOYSA-N 374.531 4.693 0 50 FJAA c1ccc2c(-c3n[nH]cc3CN3CCC[C@H](CN4CCCC4)C3)cccc2c1 19743351 MPLYYTUWBSDDOO-LJQANCHMSA-N 374.532 4.538 0 50 FJAA Cc1ccc(CN(Cc2ccncc2)Cc2cccn2-c2ccccn2)s1 55042378 BVRYVBVJBZQHEM-UHFFFAOYSA-N 374.513 4.840 0 50 FJAA O=C(c1ccnc(-c2cc(F)cc(C(F)(F)F)c2)c1)N1CCCCC1 97772863 RAXKAWITEFBNGL-UHFFFAOYSA-N 352.331 4.533 0 50 FJAA Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc2c(Cl)ccc(C)c2n1 170593128 HVVWEOSPUJBBCH-NSHDSACASA-N 372.856 4.554 0 50 FJAA Cc1nccn1CC[C@@H]1CCCCN1Cc1cc(C2CCCCC2)no1 244734787 NLVXMIJAKQRKJI-IBGZPJMESA-N 356.514 4.672 0 50 FJAA O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 825888 YQVXJRDLWYHZJB-CQSZACIVSA-N 374.651 4.688 0 50 FJAA COc1ccc([C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 1109207 SEPPDFUVNXZUQY-HXUWFJFHSA-N 351.833 4.868 0 50 FJAA Cc1ccc([C@H](CC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)o1 2283022 HOEUOCRBBPARBO-FQEVSTJZSA-N 372.417 4.515 0 50 FJAA CC(C)(C)c1c2c(nn1C(=O)c1ccc(Cl)cc1)-c1ccccc1C2=O 2582099 PLEFKKUUBOMSDU-UHFFFAOYSA-N 364.832 4.734 0 50 FJAA CCCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 2866623 MKMREVWLOUHCOC-UHFFFAOYSA-N 374.437 4.526 0 50 FJAA CC1(C)CC(NC(=S)Nc2ccc(Cl)cc2Cl)CC(C)(C)N1 2981900 OUNZRGZNUZQFHN-UHFFFAOYSA-N 360.354 4.589 0 50 FJAA C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)on1 3907710 GCLYWSUUDJNWGC-TXEJJXNPSA-N 363.255 4.507 0 50 FJAA COc1ccc(C(=C2C(=O)Nc3ccccc32)c2ccc(OC)cc2)cc1 3953119 KUEYYIJXBRWZIB-UHFFFAOYSA-N 357.409 4.615 0 50 FJAA in-vitro O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc2ccccc2s1 4038882 JWFNGRKXMNIFML-UHFFFAOYSA-N 360.438 4.981 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)oc2c1 91585771 CKGNOJHJHGNSPK-GOSISDBHSA-N 359.429 4.903 0 50 FJAA Cc1cccc(C[C@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)c1 100210965 QDSOHFMHPYMPGB-PQCJFMQRSA-N 365.517 4.519 0 50 FJAA Cc1[nH]c2c(c1C(=O)N1CCC[C@@H](c3ccc(Cl)cc3)C1)C(=O)CCC2 223062794 KTZSWOAYNRKTJQ-OAHLLOKOSA-N 370.880 4.515 0 50 FJAA CCN(C(=O)c1cccc(-c2ccc3ccccc3n2)c1)C1CCOCC1 299783003 TYWFZWACYHUKRV-UHFFFAOYSA-N 360.457 4.543 0 50 FJAA O=C(c1ccc(-c2cccc(O)n2)cc1)N1CCCCC[C@@H]1c1ccco1 426443531 ZKFYFLCCTLZJJD-LJQANCHMSA-N 362.429 4.805 0 50 FJAA CN(C(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1)[C@@H]1CCOC(C)(C)C1 426521195 HVDYTYKHJJJPQL-QGZVFWFLSA-N 373.880 4.742 0 50 FJAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccn3Cc3cccs3)C2)cc1 470565023 PWGQSSDVECJDBQ-IEBWSBKVSA-N 364.514 4.925 0 50 FJAA O=C(Nc1cncc2ccccc12)[C@@]12CC[C@@H](O1)c1ccc(Cl)cc12 2325820585 FBTMEMABCOKXEU-QUCCMNQESA-N 350.805 4.587 0 50 FJAA CCOC(=O)N1CCC(N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 757899 VLQNFQKQXKPXFT-FQEVSTJZSA-N 372.896 4.640 0 50 FJAA CSc1nc2sc3c(c2c2n[nH]c(=S)n12)CC[C@H](C(C)(C)C)C3 985189 ASSMGGHDMYZYFI-QMMMGPOBSA-N 364.565 4.874 0 50 FJAA CCOc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 2946806 SGXAUCAUQRTGPL-HOTGVXAUSA-N 350.245 4.611 0 50 FJAA Cc1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 4741194 MFFDUDRSWNNTNM-UHFFFAOYSA-N 370.861 4.634 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1 9229979 SPRJBYIQUHLCMC-IBGZPJMESA-N 354.450 4.530 0 50 FJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OCC)c1 10288100 DLBLITAPQYROKA-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA CN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 11709066 XUCLCLZKRXFTQJ-GOSISDBHSA-N 370.905 4.977 0 50 FJAA C/C(=C\c1ccco1)CN1CCC2(CC1)C[C@@H]2C(=O)Nc1cccc(F)c1 11975821 XPRONZQBWUNUOP-ZRNYNZGJSA-N 368.452 4.563 0 50 FJAA C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 13329881 SQSKBPKDRAKYEG-VIFPVBQESA-N 353.205 4.605 0 50 FJAA Cn1cc(CN(Cc2ccc(-c3ccc(Cl)cc3F)o2)C2CC2)cn1 55199091 HOCFLTWTQJAFTR-UHFFFAOYSA-N 359.832 4.637 0 50 FJAA O=C(CCC1CC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67947968 IAKLPFFXDJOEKV-UHFFFAOYSA-N 371.864 4.624 0 50 FJAA Cc1noc(-c2ccccc2)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 122665018 PQFVXNDXCGOWLP-GFCCVEGCSA-N 374.799 4.849 0 50 FJAA Cc1noc(C)c1C[C@H](C)NCCCCc1cccc(C(F)(F)F)c1 170601677 GEVBACFDJOHSGY-ZDUSSCGKSA-N 354.416 4.854 0 50 FJAA Cc1ccnc(Oc2cc(NC(=O)c3cnn(C(C)C)c3)ccc2C)c1 187857493 FLCCLSDLMNPWIO-UHFFFAOYSA-N 350.422 4.520 0 50 FJAA Cc1c(Cl)cccc1NC(=O)CCN(C)Cc1cc2cc(F)ccc2[nH]1 244641204 GLHBWXWNUVNUOY-UHFFFAOYSA-N 373.859 4.729 0 50 FJAA Cc1cccc(-c2ccc(CN3CCC4(CC3)C[C@@](C)(O)CCO4)cc2)c1 1704306628 QKLMSMVVUPXSHM-QHCPKHFHSA-N 365.517 4.558 0 50 FJAA CC(=O)c1cc(F)c(NCCc2ccc(Br)c(F)c2)c(F)c1 2325853511 RQLDHGWWJMHDKD-UHFFFAOYSA-N 372.184 4.724 0 50 FJAA O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)c1cccs1 623313 QOZGWYLHQYAJPU-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA Cc1cccc(C)c1NC(=O)[C@H]1CCCN(CCCc2ccccc2)C1 883711 PDROKFHXWVCFHH-NRFANRHFSA-N 350.506 4.587 0 50 FJAA Cc1ccc(C)c(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 1162317 TWFOBDCWQWVNLL-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA O=C(Nc1ccccn1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 5048285 QFIJMBUUQSMJKZ-UHFFFAOYSA-N 360.804 4.598 0 50 FJAA COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 28292920 XDLSRLWFUXBLCX-UHFFFAOYSA-N 370.811 4.730 0 50 FJAA FC(F)(F)c1cccc([C@H](NCc2nc(-c3ccccc3)no2)C2CC2)c1 180065842 YRWDBWCTLCWYOY-GOSISDBHSA-N 373.378 4.996 0 50 FJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1cc2ccccc2o1 182507352 XAZSXWRMWXBWAT-GOSISDBHSA-N 366.465 4.600 0 50 FJAA 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 257348696 IAAONRVTBJWTGZ-VGFKWTLNSA-N 374.521 4.502 0 50 FJAA CN(CCN(C)C1CCCC1)c1ccnc2c(C(F)(F)F)cccc12 1529167371 HUPGCCQXFHSDPP-UHFFFAOYSA-N 351.416 4.564 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 1875338642 FKTLRBINRXFDLD-NZSAHSFTSA-N 359.391 4.971 0 50 FJAA CCOc1ccc(CN2CCC[C@H](OC)C2)cc1-c1ccc(OC)c(F)c1 2356167639 WQTCFMCKRXMWRR-SFHVURJKSA-N 373.468 4.511 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 756476 DKHUXEPMWLYORE-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCCC2)cc1 784097 PJKYIDMIQHJUAB-OAQYLSRUSA-N 363.461 4.544 0 50 FJAA CCn1c([C@@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 860984 DIFSINDAVHOPFU-QFIPXVFZSA-N 358.441 4.717 0 50 FJAA COc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 1146820 OHNKXNAOZPRLTD-UHFFFAOYSA-N 360.624 4.673 0 50 FJAA CCc1nc2sc(C(=O)Nc3ccc(F)cc3)c(N)c2c2c1CCCC2 1472205 ZRWXFFKBCLGDRG-UHFFFAOYSA-N 369.465 4.711 0 50 FJAA C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 2762612 GMDABUKKWBOVNT-JTQLQIEISA-N 358.652 4.731 0 50 FJAA O=C(NCCOc1ccc(Cl)cc1)c1ccccc1-c1ccccc1 4698405 GFRQFEBGQXCRJZ-UHFFFAOYSA-N 351.833 4.816 0 50 FJAA C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 4912153 XSOJYVSGFFYQAH-OOPCZODUSA-N 357.837 4.622 0 50 FJAA Cc1cccc2cc(CNCc3cnn(C)c3C)c(-c3cccs3)nc12 12031857 YKHZLRBUENPPHD-UHFFFAOYSA-N 362.502 4.603 0 50 FJAA Oc1ccc(Cl)cc1NC(=S)Nc1ccc(Br)cc1 17073859 XHKVDHNYUFJUOB-UHFFFAOYSA-N 357.660 4.617 0 50 FJAA Cc1cccnc1CN1CCc2onc(-c3cccc4ccccc34)c2C1 67822151 DTCGOYYOUGEXEW-UHFFFAOYSA-N 355.441 4.757 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CC[C@H]3c3cccc(OC)c3)c2c1 77340153 DKGAJKRMGOIPRQ-QFIPXVFZSA-N 360.457 4.701 0 50 FJAA Oc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3OCCC[C@H]23)c1 103544397 HCJUXBVEXDTXEU-FHLIZLRMSA-N 360.251 4.789 0 50 FJAA O=C(Nc1scnc1-c1ccccc1)[C@H]1SCCc2ccccc21 173040837 UXCGOJOJFXPXES-KRWDZBQOSA-N 352.484 4.779 0 50 FJAA C[C@@H](CNC(=O)N1CCCSc2ccccc21)COCc1ccccc1 225515771 OOQBBWSOJPGERF-KRWDZBQOSA-N 370.518 4.551 0 50 FJAA c1ccc([C@H](CCNC2CCC3(CCNCC3)CC2)c2ccco2)cc1 952979773 FSMNSQDBIVCXFW-NRFANRHFSA-N 352.522 4.704 0 50 FJAA O=C1CCc2c1cccc2C(=O)N1CCCC[C@H]1CCc1cccs1 952988592 NIXXCJPZZHEBDI-HNNXBMFYSA-N 353.487 4.505 0 50 FJAA CC[C@H](NC(=O)c1coc2cc(O)ccc12)c1ccc(Br)cc1 1875335704 DCCZIRJNYZETFP-INIZCTEOSA-N 374.234 4.782 0 50 FJAA Cc1cc(O)nc2ccc(NC(=O)N[C@H](C)c3cccc4cccnc34)cc12 1875336223 WTQQCGWLCRBIBJ-CQSZACIVSA-N 372.428 4.680 0 50 FJAA CNc1ccc(C(=O)N[C@@H](c2cccc(C)c2)c2cccc(Cl)c2)nc1 1875340660 MAYVIVJPHBSPBE-FQEVSTJZSA-N 365.864 4.605 0 50 FJAA CC1(C)Cc2nc(O)c(-c3noc(C[C@@]45CCC[C@@H]4C5)n3)cc2C(C)(C)C1 1875356145 HKILOVXKQUBHGQ-DMZKTXOQSA-N 367.493 4.820 0 50 FJAA CCCOc1cccc2c(N[C@@H]3CCc4cnn(C(C)C)c4C3)ccnc12 2325825187 ICYGOGRNVFXNEB-QGZVFWFLSA-N 364.493 4.770 0 50 FJAA O=C(CCc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 804465 SWQAPPVIKOHDEO-UHFFFAOYSA-N 358.397 4.772 0 50 FJAA COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1 1069108 XDYSAKLUNSNZRI-NFBKMPQASA-N 357.409 4.670 0 50 FJAA Cc1nn(C(C)(C)C)c(OC(=O)c2ccco2)c1Sc1ccccc1 1109476 KYSBEUHMSXJVMQ-UHFFFAOYSA-N 356.447 4.910 0 50 FJAA CCCCOc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1 2764051 PREWFCVXAQUYBT-UHFFFAOYSA-N 371.440 4.966 0 50 FJAA O=C(CSCc1ccc(Cl)cc1)NCCSC1CCCCC1 2814729 DJFUZTYTATVMJQ-UHFFFAOYSA-N 357.972 4.755 0 50 FJAA Cc1ccc(OCCOCCOc2cccc3cccnc23)c(Cl)c1 2983827 KVIJQUFEFBSDFB-UHFFFAOYSA-N 357.837 4.671 0 50 FJAA Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)c1 3017842 FCDWSJGSVGWCNZ-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3cccs3)c2c1 6401291 TXTVBQNMZCMRNX-UHFFFAOYSA-N 359.454 4.597 0 50 FJAA O=C(NCc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 6658313 NOVWBPGGTFTKEJ-UHFFFAOYSA-N 373.275 4.503 0 50 FJAA CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1C 11903327 JQJQZUBGRNIOEL-LJQANCHMSA-N 363.486 4.961 0 50 FJAA O=C(c1cccc2ccccc12)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20419456 UCWIRCHDOWPFQU-SFHVURJKSA-N 369.468 4.811 0 50 FJAA Cc1[nH]cnc1CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71589475 AUMWVISMPQOZDD-OAHLLOKOSA-N 351.416 4.582 0 50 FJAA O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 77489180 YAZHYVICILXTGD-IBGZPJMESA-N 350.393 4.848 0 50 FJAA Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C1=O 101665053 OQFDXTVYNVACPP-IQGAEYHTSA-N 367.876 4.831 0 50 FJAA FC(F)(F)COc1cccc(OCc2csc([C@H]3CCCO3)n2)c1 153220709 BKGVGTBKKBRGNX-CQSZACIVSA-N 359.369 4.515 0 50 FJAA COc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4ccccc4[C@H]3C2)cc1 239425674 UZKJZKFBYKRLEY-VWNXMTODSA-N 370.452 5.246 0 50 FJAA Cc1nc(C)c(-c2ccc(C(=O)N(C)[C@@H](C)Cc3ccccn3)cc2)s1 426712590 GVGOMVQJVSJJJQ-AWEZNQCLSA-N 365.502 4.525 0 50 FJAA CCn1cc(CN(C)C(=O)c2ccc(-c3cccc(F)c3C)cc2)c(C)n1 584895233 VHWWLXPKKRPNEG-UHFFFAOYSA-N 365.452 4.598 0 50 FJAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccccc3-c3ccccc3)C[C@H]2C1 1529172299 CXOQSCFWNGSIIS-FXELSEDVSA-N 362.517 4.544 0 50 FJAA FC(F)c1cc(CNCc2ccc(-c3cnc(C(F)F)s3)cc2)no1 2325779966 VIWBYAJBKWYZQA-UHFFFAOYSA-N 371.359 4.963 0 50 FJAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1cccc(F)c1 692678 LBWWCXPZTAKKLQ-UHFFFAOYSA-N 359.360 4.795 0 50 FJAA CC(C)Cc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 1126126 BXFCEXNIAQJSPJ-UHFFFAOYSA-N 365.458 4.613 0 50 FJAA O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 1161646 UFWBTMUIQMWIEM-UHFFFAOYSA-N 374.783 4.949 0 50 FJAA Cc1ccc(C(=O)Oc2ccc3cc(-c4ccccc4)c(=O)oc3c2)cc1 4810372 VSBLVQNBOLOPGG-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA Clc1ccc(CSCCc2nc(-c3ccccn3)no2)cc1Cl 6729444 LNRDCGAWHMZLMB-UHFFFAOYSA-N 366.273 4.914 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(F)cc2)s1 17057532 YRBPCZPEGRVZDN-UHFFFAOYSA-N 362.817 4.565 0 50 FJAA COc1cc(F)c(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F 155643519 MBYYQGQWAWWANU-LLVKDONJSA-N 360.360 4.945 0 50 FJAA Cc1ncc(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c(C(C)C)n1 182648455 PNHRWBNTDZZUTR-UHFFFAOYSA-N 363.408 4.616 0 50 FJAA O=S(=O)(c1cccc(F)c1)c1cnc2c(F)ccc(Cl)c2c1Cl 263619249 XRTAGOPNRLHOPR-UHFFFAOYSA-N 374.195 4.653 0 50 FJAA O[C@@H](c1cccs1)C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 952970011 TXSSLNYNLLPPBL-JOCHJYFZSA-N 364.514 4.756 0 50 FJAA COc1ncccc1[C@@H](C)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 1875328790 MZGVIDUGRGPHMS-MRXNPFEDSA-N 358.445 4.886 0 50 FJAA CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 799686 OXRQJASUBSIORM-FMIVXFBMSA-N 368.502 4.501 0 50 FJAA O=C(Nc1cccc(NC(=O)c2ccccc2F)c1)c1cccc(Cl)c1 805622 LKCFCMHKFTVLNQ-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2)cc1 1157705 JGPUWZWOLDJBJP-UHFFFAOYSA-N 365.260 4.611 0 50 FJAA O=C1C(Cl)=C(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1168326 NHZDZBZWRJDWFA-UHFFFAOYSA-N 352.604 4.517 0 50 FJAA O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 1213208 CIAUQLRBOCGUEO-UHFFFAOYSA-N 373.890 4.590 0 50 FJAA COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 5073133 CRYHSLBMJLVYRP-UHFFFAOYSA-N 374.396 4.770 0 50 FJAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 35561764 FCDLQPZTXBYPHN-LJQANCHMSA-N 366.461 4.915 0 50 FJAA Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2cccc3cnccc23)o1 65429001 JIYZVYBBZRUYJN-UHFFFAOYSA-N 367.412 4.505 0 50 FJAA FC(F)(F)c1ccc(CN2CCC[C@@H](c3nccn3CC3CC3)C2)cc1 82125878 VVYFYMXJMNSKDH-QGZVFWFLSA-N 363.427 4.692 0 50 FJAA CC(C)(C)OC(=O)N1CCC2(CCc3cc(Br)ccc32)CC1 91302750 HPPMHQKNSCAUDK-UHFFFAOYSA-N 366.299 4.664 0 50 FJAA in-vitro CCCn1nc(C)c(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c1C 189090982 PLMBJNUFWKMNGE-OAHLLOKOSA-N 362.543 4.631 0 50 FJAA Cn1c(C2CC2)nc2cc(Nc3cc(Oc4ccccc4)ncn3)ccc21 1875316521 WPXJNAQKQMSTIF-UHFFFAOYSA-N 357.417 4.777 0 50 FJAA O=C(c1ccc(F)cc1)C1CCN(C(=O)C2CCC3(CCC3)CC2)CC1 1875334654 XYXHSBAEQYVZAD-UHFFFAOYSA-N 357.469 4.608 0 50 FJAA CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 584092 YMTINGFKWWXKFG-UHFFFAOYSA-N 360.837 4.680 0 50 FJAA aggregator,biogenic,fda CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)CCc2ccccn2)c1 762960 GLFXRZRREBOQPP-UHFFFAOYSA-N 359.535 4.693 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(NC(=O)c2ccco2)cc1 991819 PVMWKDOWNMRDIA-UHFFFAOYSA-N 374.318 4.803 0 50 FJAA Cc1ccccc1C(=O)Nc1cccc(O[C@@H](C)C(=O)c2ccccc2)c1 993036 XFDLFEKKBOZEBJ-KRWDZBQOSA-N 359.425 4.898 0 50 FJAA CC(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 1132986 PUCFGMVTMNHPHV-UHFFFAOYSA-N 373.478 4.686 0 50 FJAA COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 1154604 ULNLKYBBYAABCC-UHFFFAOYSA-N 355.777 4.639 0 50 FJAA Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CO 1195999 OVZBPVWYMUZMFO-FQEVSTJZSA-N 357.453 4.637 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc2c1CCCC2 1200986 FJSGNOITVLOPKI-UHFFFAOYSA-N 357.475 4.789 0 50 FJAA CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(Cl)cc2s1 2878182 ZLOXNSKLZBILFB-CYBMUJFWSA-N 364.829 4.885 0 50 FJAA O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCCCC1 4279438 FOOJZKZHZXBVMF-UHFFFAOYSA-N 365.864 4.819 0 50 FJAA CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1Br 4808292 FTMWWLMZLGJMAL-UHFFFAOYSA-N 369.642 4.893 0 50 FJAA Cc1c(C(=O)NCc2csc(-c3cccs3)n2)oc2c(F)cccc12 12387432 CSYUGFVWUSGYRL-UHFFFAOYSA-N 372.446 4.995 0 50 FJAA Clc1ccc(Cl)c(-c2ccc(CNCCCn3ccnc3)o2)c1 35268961 SQLGHUMRXAXZHO-UHFFFAOYSA-N 350.249 4.630 0 50 FJAA O=C([C@H]1CCCN(Cc2ccco2)C1)N(Cc1ccsc1)C1CCCC1 95390414 JMHYOMMMEYIYNQ-SFHVURJKSA-N 372.534 4.525 0 50 FJAA CCc1csc([C@H]2CCCN(C(=O)NCc3ccc(Cl)s3)C2)n1 172248895 HOJISMNPAOTHIW-NSHDSACASA-N 369.943 4.510 0 50 FJAA 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 253612510 UHRMATMIZQHEIP-AHIIVRHQSA-N 374.521 4.670 0 50 FJAA COc1ccc(-c2csc(CNC(=O)c3ccc4ncccc4c3)c2)cc1 1457427898 VSTJGQVRGQHMDM-UHFFFAOYSA-N 374.465 4.902 0 50 FJAA Cc1cccc(Oc2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)c1 1506417563 JQIUETWDHPFZEJ-LJQANCHMSA-N 353.462 4.819 0 50 FJAA Cc1c(CN(Cc2ccccn2)C[C@H]2CCCO2)[nH]c2ccc(Cl)cc12 1506420400 CQTJTQKGFQOTPF-GOSISDBHSA-N 369.896 4.706 0 50 FJAA O=C(c1cnoc1-c1ccccc1)N1CCCC[C@H]1CCc1ccccc1 1506425455 BCNQXFJDMHDCCA-FQEVSTJZSA-N 360.457 4.969 0 50 FJAA C[C@H](c1ccccc1)n1cccc1C(=O)Nc1ncc(C(F)(F)F)s1 2325871661 UHTXVZJGKOFLQP-LLVKDONJSA-N 365.380 4.825 0 50 FJAA COc1cc(CNc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 679353 CCVMJYFQXUYSEC-UHFFFAOYSA-N 363.413 4.585 0 50 FJAA biogenic O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCO2 809547 QFJFECATCGKBEM-UHFFFAOYSA-N 374.421 4.944 0 50 FJAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc2ccccc2c1 969176 HLNGTXVJYKEYLD-JTHBVZDNSA-N 356.469 4.596 0 50 FJAA Cn1c(=O)c(-c2ccc3ccccc3n2)cc2cc(Br)ccc21 1071095 KRIXXCJLGIPZFM-UHFFFAOYSA-N 365.230 4.516 0 50 FJAA O=C1NN=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(Cl)cc1 1397720 KOBACOAQBPZZNM-LBPRGKRZSA-N 353.636 4.655 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3c(C)cccc3C)s2)cc1 2347382 CERKPSBZPPGGCU-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Cc1ccccc1Cn1cc(NC(=S)Nc2cccc(C)c2C)cn1 2794044 JZNMIEKXZHWEFX-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(Cl)c1 3855456 FZBXVBNZMAVKHX-UHFFFAOYSA-N 368.864 4.542 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 9317520 PNVCUDGMLGRROB-UHFFFAOYSA-N 368.458 4.696 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCCC2)cc1 10330582 HDUQTFOITQNWJV-UHFFFAOYSA-N 362.395 4.944 0 50 FJAA Cc1cccc(CSc2nnc(COc3ccc(C)c(C)c3)n2C)c1 14123695 ROSASQFWGMCJEN-UHFFFAOYSA-N 353.491 4.612 0 50 FJAA O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 20603563 XWAKFCFFKVFAAX-UHFFFAOYSA-N 363.364 4.533 0 50 FJAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc21 20616545 CEHMCTRKQQVWRU-UHFFFAOYSA-N 370.172 4.900 0 50 FJAA c1ccc(-c2ncn([C@@H]3CCNC3)c2-c2c[nH]nc2C2CCCCC2)cc1 67934033 NXCYONBBHZCFHQ-GOSISDBHSA-N 361.493 4.522 0 50 FJAA Oc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1Cl 72130908 NQBJCGZUWSRVJE-UHFFFAOYSA-N 350.809 4.596 0 50 FJAA Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(CCC(C)(C)O)cc1 72423493 MLARBVRRRHTCMX-OAQYLSRUSA-N 351.490 4.676 0 50 FJAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1c[nH]nc1-c1ccccc1 92064851 KLTTXZKLLDFYCV-QHCPKHFHSA-N 359.473 4.517 0 50 FJAA Cc1cc(N2CCC[C@@]3(CCC[C@H]3O)C2)c2cc(C(F)(F)F)ccc2n1 1704340858 VNRLHNLMAOXWTJ-MOPGFXCFSA-N 364.411 4.693 0 50 FJAA COc1ccc2ccc(N3CCC(F)(Cc4ccccc4)CC3)nc2c1 1875326771 UPAHEKTYFRSMIV-UHFFFAOYSA-N 350.437 4.795 0 50 FJAA Cc1csc(-c2ccc(NC(=O)c3ccncc3OC(C)C)cc2)n1 2325742632 AOOQNDSFMGNUAP-UHFFFAOYSA-N 353.447 4.553 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NCCc1c[nH]c2cccnc12 2325863189 ZGPOGMSIZDVQLK-UHFFFAOYSA-N 361.445 4.624 0 50 FJAA FC(F)(F)c1cccc(CNC2CCN(CCc3ccccc3)CC2)c1 757589 DFOQWCGMBXUJKJ-UHFFFAOYSA-N 362.439 4.502 0 50 FJAA Cc1c(C(C)C)c(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 1132395 DTIDAEXQFBBCQL-OAHLLOKOSA-N 350.414 4.875 0 50 FJAA Cc1ccc(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 1178165 GTZGUFOLYFTBNP-UHFFFAOYSA-N 366.486 4.716 0 50 FJAA Cc1ccc2oc(Nc3ncc(C(=O)Nc4ccccc4C)c(C)n3)nc2c1 1261981 SVZXIEJDAKWINH-UHFFFAOYSA-N 373.416 4.539 0 50 FJAA O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(C(=O)O)cc1 4649199 MXFXJFOXSPVTHA-UHFFFAOYSA-N 370.257 4.564 0 50 FJAA COc1ccc(C)cc1NC(=O)Oc1cc(C)c(Br)cc1C 4793761 PINONHXMLDZPMY-UHFFFAOYSA-N 364.239 4.994 0 50 FJAA CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 5064622 CSNKADGTHLEWMD-AWEZNQCLSA-N 363.280 4.598 0 50 FJAA COc1cccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c1 5902148 RLKYMOROLCZPKR-GFCCVEGCSA-N 358.507 4.742 0 50 FJAA Cc1ccc(-c2cncnc2[C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)cc1 11787921 XKGAHVYRHFXIDR-WOJBJXKFSA-N 361.489 4.514 0 50 FJAA CCCCc1nc2cc(C(=O)N(C)Cc3cccc4cccnc34)ccc2o1 12597212 AVTYOSLFTRHAAQ-UHFFFAOYSA-N 373.456 4.991 0 50 FJAA O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(CC2CC2)CC1 12612687 DRGDEPWNGHGEPW-UHFFFAOYSA-N 352.453 4.553 0 50 FJAA COc1ccccc1C(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 14989967 AQGPKLPDTGRTHB-UHFFFAOYSA-N 365.473 4.679 0 50 FJAA O=c1c2ccccc2nc2sc(-c3ccc(-c4ccccc4)cc3)nn12 17073468 XJECMEQUDKTSCV-UHFFFAOYSA-N 355.422 4.638 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccc(C)c3)no2)cc1 36620713 MGMLHRNHVWXKME-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA c1ccc(-c2ncn(Cc3ccncc3)c2-c2ccc(-c3ccn[nH]3)o2)cc1 67840400 DOAQUTWCCSZQQD-UHFFFAOYSA-N 367.412 4.644 0 50 FJAA Clc1ccc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cn1 71764406 ZSFSYODTHZMUBB-HNNXBMFYSA-N 357.668 4.615 0 50 FJAA CCN(C)CCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72408968 UVEUOJCGJJGXMD-UHFFFAOYSA-N 369.896 4.512 0 50 FJAA Cc1nccc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)CC(C)C 215000874 IBXKZCVUDMCJAE-UHFFFAOYSA-N 359.473 4.750 0 50 FJAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 222255205 VRVPCTJFOMDVPF-GLJUWKHASA-N 365.420 4.680 0 50 FJAA COc1cc2c(cc1C(C)=O)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@H]1CC2 239173863 OVPJRYHYLMZUJV-HFHHGZGKSA-N 370.489 4.686 0 50 FJAA Cc1cc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)s1 248926512 XGWIKXVSWFCGDJ-UCLAIMLFSA-N 358.507 4.645 0 50 FJAA Cc1nc2ccccc2c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 253418599 USXRQEDNOYQDQR-INIZCTEOSA-N 370.456 4.528 0 50 FJAA COc1cc2c(cc1OC)C(=Cc1cccc(Cl)c1Cl)C(=O)OC2 2049441660 HJHPWCCPOBPLTI-UHFFFAOYSA-N 365.212 4.608 0 50 FJAA CC1=CC(C)(C)N(C(=O)COc2nc3ccccc3s2)c2ccccc21 841633 SXHQPQYGOXRHJE-UHFFFAOYSA-N 364.470 4.904 0 50 FJAA CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 907612 PIASNQAKAMXOQL-UHFFFAOYSA-N 352.507 4.950 0 50 FJAA O=c1c2c3c(sc2ncn1Cc1c(Cl)cccc1Cl)CCCC3 954145 BHVGQTZUVFUCDE-UHFFFAOYSA-N 365.285 4.692 0 50 FJAA Cc1ccc(C)c(NC(=O)COc2c(C)cc(Br)cc2C)c1 955075 JLTMUENMXUKZPI-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(Br)c1 1066435 PXLWFPZOMHOGIW-UHFFFAOYSA-N 359.267 4.803 0 50 FJAA CCC(CC)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1114766 URGGAQDWHOPZBT-UHFFFAOYSA-N 353.285 4.947 0 50 FJAA O=C(/C=C/c1cc(Br)cs1)Nc1cccc2cccnc12 1218865 NMWRYOLVBIILHE-VOTSOKGWSA-N 359.248 4.711 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)c1ccc(SC(F)F)cc1 1308537 IHMMHBSCEVGMOZ-UHFFFAOYSA-N 350.415 4.853 0 50 FJAA Clc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 2493156 BBTKLFHKPIYSLG-UHFFFAOYSA-N 367.880 4.845 0 50 FJAA CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 2789273 WAYCWJWMTLDOOS-UWJYYQICSA-N 355.478 4.737 0 50 FJAA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccco1 2875774 AQVLSENDUQAXJL-UHFFFAOYSA-N 365.772 4.959 0 50 FJAA Cc1ccc(OCCSc2nc3ccccc3c(=O)[nH]2)c(C(C)C)c1 3670655 FYJZRJXTWFNICI-UHFFFAOYSA-N 354.475 4.526 0 50 FJAA CC(=O)Nc1nc(-c2c(F)c(F)c(F)c(F)c2-c2ccccc2)cs1 4872561 SSIVTMOHFKHPCP-UHFFFAOYSA-N 366.339 4.992 0 50 FJAA C/C(=C\c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 4980461 UOOHIEVBGWOZBE-SAPNQHFASA-N 360.423 4.931 0 50 FJAA CCCN(C[C@@H]1CCCO1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 12705243 CTFRAHIDMMWMPC-SFHVURJKSA-N 370.493 4.907 0 50 FJAA COc1ccc(-c2nc(CN3CC[C@@H]4CCCC[C@H]4C3)c(C)o2)c(F)c1 20537961 YPIWUIARUWROAQ-HOTGVXAUSA-N 358.457 4.810 0 50 FJAA COc1ccccc1-c1cc2nc(C)cc(N[C@H](C)c3ccccc3)n2n1 21150551 BTJSFMHEGHXKDG-MRXNPFEDSA-N 358.445 4.886 0 50 FJAA CN(Cc1nc(-c2cccnc2)no1)c1ccccc1Oc1ccccc1 170627030 QDNHTJQOBGWQPM-UHFFFAOYSA-N 358.401 4.560 0 50 FJAA O=C(NC1(c2cccc(Br)c2)CCC1)[C@H]1CCCC(F)(F)C1 225692611 AYFZLJOIQDPGOR-LBPRGKRZSA-N 372.253 4.770 0 50 FJAA CCN(C(=O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1)[C@H](C)CCO 426379945 VLNPOOOVOCMFTM-CYBMUJFWSA-N 366.288 4.893 0 50 FJAA Oc1cccc(CN2CCN(Cc3ccc(C4CCCCC4)s3)CC2)c1 828925279 PDUJUJWINFLVSK-UHFFFAOYSA-N 370.562 4.819 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2 1704315392 BSNSIYYMGPCVPO-NVXWUHKLSA-N 356.388 4.518 0 50 FJAA Fc1ccc(OCc2noc(CNc3ccc4c(c3)CCCCC4)n2)cc1 1875343412 HZXLSRXXDSVSFN-UHFFFAOYSA-N 367.424 4.669 0 50 FJAA Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1C 673050 VTWRVTVRDWYDLH-UHFFFAOYSA-N 361.264 4.928 0 50 FJAA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1OC 911496 VTDZYSXHRRANIN-UHFFFAOYSA-N 374.868 4.600 0 50 FJAA CCS(=O)(=O)c1ccc2nc(SCc3ccccc3Cl)oc2c1 1077905 LXEYNYHOVHUUST-UHFFFAOYSA-N 367.879 4.567 0 50 FJAA COc1ccc(Cl)cc1NC(=S)NCCc1ccc(Cl)cc1 1121735 AAUOLAOWVNEVQY-UHFFFAOYSA-N 355.290 4.531 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 1158867 CQENGKANIMTMFH-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA Cc1cccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c1 1217217 AFHXIRBQXURQBZ-UHFFFAOYSA-N 358.466 4.986 0 50 FJAA CC[C@H]1CCc2c(sc(NC(=O)CCC3CCCCC3)c2C(N)=O)C1 1218167 PFQMMDWCVPHIBL-ZDUSSCGKSA-N 362.539 4.661 0 50 FJAA Cc1cc(N2CCCCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 7636198 NNQQBZBCUFJKRF-UHFFFAOYSA-N 360.383 4.714 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1C(=O)O 13531810 GNCZTZCPXFDPLI-UHFFFAOYSA-N 358.703 4.701 0 50 FJAA in-vitro CCN(Cc1ccsc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 20455932 GKDRDQFBAIXGIS-HXUWFJFHSA-N 372.578 4.533 0 50 FJAA O=C(c1ccc(-c2ccc[nH]2)nc1)N1CCC(CCc2ccccc2)CC1 71747197 MPIKNTSJSZTRGN-UHFFFAOYSA-N 359.473 4.562 0 50 FJAA CCn1nc(C(C)C)cc1C(=O)N(Cc1ccc(C)cc1)C1CCCC1 91503745 BEIVBGDFDYIBPK-UHFFFAOYSA-N 353.510 4.920 0 50 FJAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc2ccc(Cl)cc2s1 170613388 NNJADAKPFVSVOC-ZBFHGGJFSA-N 362.926 4.549 0 50 FJAA O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccncc1Cl 170646486 ZXSXMFLCXBZPLV-INIZCTEOSA-N 363.269 4.969 0 50 FJAA Cc1cc(F)ccc1C1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1 432975354 VOAYWJOCDMTOQC-UHFFFAOYSA-N 366.358 4.963 0 50 FJAA O[C@H](c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 858234 PBSIFLXJRUCIGN-HXUWFJFHSA-N 366.823 4.959 0 50 FJAA COc1ccc(CC(=O)Nc2cc(Cl)c(Br)cc2C)cc1 993415 POLBTCYKPFZWKS-UHFFFAOYSA-N 368.658 4.601 0 50 FJAA Cc1ccc(CSCC(=O)Nc2ccc(Br)cc2F)cc1 1117477 BPUPWXLXZRHXFS-UHFFFAOYSA-N 368.271 4.769 0 50 FJAA COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccc(F)cc4)n32)c1 2544899 FPRDWAXXJKCYMR-UHFFFAOYSA-N 361.372 4.674 0 50 FJAA O[C@@H](COc1ccccc1Cl)Cn1c2ccccc2c2ccccc21 2690075 SONJCMFDSVOLFH-OAHLLOKOSA-N 351.833 4.888 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)c1cc(Br)ccc1F 4542205 JVYUWUIQQKUOMQ-UHFFFAOYSA-N 372.621 4.811 0 50 FJAA CCc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCC2)cc1 4855356 MKNFGGSMWLHCFH-UHFFFAOYSA-N 358.489 4.614 0 50 FJAA CCCCN(Cc1sccc1C)C(=O)C12CC3C[C@@H](C1)C(=O)[C@@H](C3)C2 102014695 VFBXZQPNGBIRFO-GWWPLSDWSA-N 359.535 4.581 0 50 FJAA O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cccc2cccnc12 148064990 RVJJBGVUNRDREZ-UHFFFAOYSA-N 354.413 4.865 0 50 FJAA O=C(Cc1c[nH]c2ccccc12)NC1(c2cccc(C(F)(F)F)c2)CCC1 170640721 QOBQKRCMWDTXEB-UHFFFAOYSA-N 372.390 4.925 0 50 FJAA CC(C)(C)OC(=O)N1CCC(=Cc2ccc(Br)cc2)CC1 205793834 OKRKUBZTEZOULT-UHFFFAOYSA-N 352.272 4.863 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2c1ccc1ccccc12 633136 PUKDFWJQGHJITO-UHFFFAOYSA-N 373.408 4.509 0 50 FJAA Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(Br)c1 669665 AJDHLBPZEOFHLD-UHFFFAOYSA-N 371.234 4.973 0 50 FJAA COc1ccc(CNc2ccc(Br)c(C)c2)c(OC)c1C 851062 MHDPJAQHAWHMHM-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA Brc1ccc(-c2cn3cc(Br)ccc3n2)cc1 861840 KXCNGMOTWFMXAV-UHFFFAOYSA-N 352.029 4.526 0 50 FJAA Cc1cccc(N2C(=O)C[C@@]3(CC3(c3ccccc3)c3ccccc3)C2=O)c1 1163544 GOEDIBNNLOZSII-XMMPIXPASA-N 367.448 4.635 0 50 FJAA O=C(c1cccn1-c1ccc(Br)cc1)C(Cl)(Cl)Cl 4014667 MMUVOKPXGHZMFF-UHFFFAOYSA-N 367.457 4.793 0 50 FJAA COC(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 4121827 MWIYCFCUXHYRJN-UHFFFAOYSA-N 362.410 4.937 0 50 FJAA Oc1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc12 5102030 BTSZPGWVNYIRDI-FNORWQNLSA-N 370.202 4.602 0 50 FJAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3CCn3cccn3)c(C)o2)s1 12030416 PLJUETWQQISXPN-QGZVFWFLSA-N 370.522 4.661 0 50 FJAA CCCN1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2cccs2)CC1 12245678 NUHMNYFLLUYWHM-HXUWFJFHSA-N 370.562 4.553 0 50 FJAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21 17075742 WZTJBURISXSLRT-INIZCTEOSA-N 369.461 4.747 0 50 FJAA COc1cc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)ccc1O 71776537 ZZPODXSRTODJKZ-OAHLLOKOSA-N 361.432 4.524 0 50 FJAA S=C(Nc1cc(Br)ccc1Br)c1ccccc1 95670839 AXZADIUKALWURV-UHFFFAOYSA-N 371.097 4.999 0 50 FJAA Cc1ccc(CN[C@@H]2c3ccccc3CC2(C)C)c(O[C@H]2CCOC2)c1 1875344376 IPCHBXBREVUWRN-SIKLNZKXSA-N 351.490 4.576 0 50 FJAA COc1ccc(-c2cc(-c3nccn3C[C@H](C)OC)ccc2F)cc1F 2356155104 XIQKNFZUZWQJHV-ZDUSSCGKSA-N 358.388 4.539 0 50 FJAA CCOc1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 851806 WDHSEIIZHZQVQQ-UHFFFAOYSA-N 373.449 4.534 0 50 FJAA O=C(c1ccccc1)n1nc(-c2ccco2)nc1SCc1ccccc1 1110425 KBWWGKMJDRZQKE-UHFFFAOYSA-N 361.426 4.519 0 50 FJAA COCCOC(=O)c1c(C)oc2ccc(OCc3cc(C)ccc3C)cc12 1797677 GYXMQHPGHDVIHX-UHFFFAOYSA-N 368.429 4.740 0 50 FJAA biogenic COc1cccc(OC)c1OCCCOc1c(Cl)cccc1Cl 2985458 DDVMDQAYYKAVOO-UHFFFAOYSA-N 357.233 4.859 0 50 FJAA O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccc(F)cc1 3132074 WWHDLNGDSAPMAD-OQLLNIDSSA-N 362.813 4.585 0 50 FJAA CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 4912552 VHYFVBWYHQWNFZ-YPMHNXCESA-N 359.853 4.845 0 50 FJAA CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4912559 VHYFVBWYHQWNFZ-DGCLKSJQSA-N 359.853 4.845 0 50 FJAA Cc1nn2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccccc1 20615655 CCAONTBCEWGWIO-UHFFFAOYSA-N 363.804 4.723 0 50 FJAA CCOc1cc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)ccc1O 65382214 UALFEWLBPKZXSU-UHFFFAOYSA-N 371.440 4.765 0 50 FJAA Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c(C)c1 169755223 DJIJSGMTIBMNFU-AWEZNQCLSA-N 367.836 4.527 0 50 FJAA O=C1CCCc2ccc(NCc3nc(-c4cccc(Cl)c4)no3)cc21 170653934 CXIMYATZNQIIDN-UHFFFAOYSA-N 353.809 4.521 0 50 FJAA CCOC(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 947597 NURXXQAMUCAMMJ-UHFFFAOYSA-N 370.412 4.612 0 50 FJAA CCc1ccccc1NC(=O)CSCc1ccc(Br)cc1 1049358 DMDOBCDHLWJPKB-UHFFFAOYSA-N 364.308 4.883 0 50 FJAA CN1C(=O)S/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)C1=O 1097649 RENUVEYHYPRPAC-JYRVWZFOSA-N 369.320 4.511 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 1175854 ARFUUZAJYYSNIE-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O 2585464 PCCSBWNGDMYFCW-JOCHJYFZSA-N 374.396 4.700 0 50 FJAA biogenic,in-vitro Cc1ccc(NC(=O)CSCc2ccccc2Br)cc1 2962697 LKYAJJQJNQSSMK-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 3560910 FWCQAAWUFSHGNF-UHFFFAOYSA-N 362.307 4.801 0 50 FJAA Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccccc3F)s2)c1 8837715 XGFYLRDFHXAGAN-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA O=C(COc1ccccc1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 9138226 NKBROUPGBRHHAX-UHFFFAOYSA-N 368.502 4.628 0 50 FJAA COc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C)c2)C1 20201780 SLGXPNZEHDDJAT-HXUWFJFHSA-N 361.489 4.773 0 50 FJAA Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33089135 WIDLQMBJLMKRHT-OAHLLOKOSA-N 360.457 4.803 0 50 FJAA COc1cccc([C@H]2CCCCN2C(=O)c2c[nH]nc2-c2cccs2)c1 77302379 UPRGGGPEBARURY-QGZVFWFLSA-N 367.474 4.514 0 50 FJAA CC(C)n1ccnc1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 91769112 WFDCVEYZIABIKO-UHFFFAOYSA-N 371.912 4.555 0 50 FJAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCCc2cccnc21 225505770 SSRWQGVSAXQOOM-QHCPKHFHSA-N 370.496 4.840 0 50 FJAA Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2ccco2)s1 225781745 XFTXTAMPZPCZTP-INIZCTEOSA-N 354.406 4.780 0 50 FJAA CC(=O)c1cccc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1 888103921 KYFDNASDJQVULV-UHFFFAOYSA-N 354.406 4.713 0 50 FJAA O=C(N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)N1CC=C(c2cccc3ccccc23)CC1 1347192773 DSFOGWHLCSWVIO-PDFPEKILSA-N 368.427 4.682 0 50 FJAA CC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)c(C)nc1C 1438351265 HDZDULIZQFROLG-RXVVDRJESA-N 350.462 4.515 0 50 FJAA COC[C@H](C)C1CCN(C(=O)C2(Nc3ccc(C)cc3)CCCCC2)CC1 1506420107 UROCMYUWNCXAKQ-IBGZPJMESA-N 372.553 4.631 0 50 FJAA O=C(N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1cc(O)nc2ccccc12 1875341002 CAINAEHOVHIIHG-NVXWUHKLSA-N 364.420 4.536 0 50 FJAA CC(C)c1ccc(-n2nc(C3CCCC3)nc2[C@@H](C)c2ccnn2C)cc1 1875348206 JFCCQKPWOCLGMB-INIZCTEOSA-N 363.509 4.934 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCC2 655391 WZMFQGOOHMUOTQ-UHFFFAOYSA-N 357.475 4.573 0 50 FJAA Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3 663226 DQNQVTVZVAMTFP-UHFFFAOYSA-N 357.866 4.663 0 50 FJAA COc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2C)cc1 681769 OIEVJPVQKZGMIA-UHFFFAOYSA-N 372.218 4.680 0 50 FJAA CC1(C)[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@]1(C)C(=O)O 705229 ULXQSQPKEUJAQQ-PGRDOPGGSA-N 366.461 4.896 0 50 FJAA Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc12 935414 LWBYPVKYVIHFMO-OAHLLOKOSA-N 365.429 4.631 0 50 FJAA COc1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 987269 HAGSZGQKQLQBJZ-JOCHJYFZSA-N 360.409 4.785 0 50 FJAA O=C(Nc1c(F)cc(F)cc1Br)c1csc2c1CCCC2 1054620 CYPCLDQAEAUPLV-UHFFFAOYSA-N 372.234 4.920 0 50 FJAA COc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1134758 PMEIRPXHWHUPOZ-FQEVSTJZSA-N 371.436 4.513 0 50 FJAA Clc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1Cl 2180680 AZZJWJUXNGACPE-UHFFFAOYSA-N 361.257 4.750 0 50 FJAA CC[C@H](c1cccs1)n1cnc(-c2ccccc2)c1-c1cnc(N)nc1 65420993 VLPVETFGFQDGSV-MRXNPFEDSA-N 361.474 4.650 0 50 FJAA O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)N1CCCC1 67338881 BOKRGMQCYOEESZ-UHFFFAOYSA-N 372.468 4.647 0 50 FJAA CCCCN(Cc1ccc(C)s1)C(=O)c1cc(-c2ccccc2O)n[nH]1 91663760 HXHYHMIXDRVKAW-UHFFFAOYSA-N 369.490 4.595 0 50 FJAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(O)cc1 94968027 HYPGKAXEUHPBJD-UHFFFAOYSA-N 367.426 4.550 0 50 FJAA Cc1nc(CCCC(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)cs1 241338674 MCXRZRBPVGFANC-OAHLLOKOSA-N 368.506 4.527 0 50 FJAA O=C(O[C@@H]1C[C@H]2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@]13C2)c1ccc(Br)cc1 257355634 BUGJTNHLPOOKIC-XKLWKGSHSA-N 361.279 4.821 0 50 FJAA CCC[C@H]1COCCN1C(=O)c1cccc(-c2cc(C)c(OC)cc2C)c1 426377879 DJTKJWQIEVSCBO-FQEVSTJZSA-N 367.489 4.620 0 50 FJAA COc1c(F)ccc(C(=O)N(Cc2cccc(SC)c2)C(C)C)c1F 952965307 DOXPHKBXCQCREG-UHFFFAOYSA-N 365.445 4.746 0 50 FJAA O=C(Cc1ccsc1Cl)Nc1ccc2[nH]c(-c3ccco3)nc2c1 1875343377 ZLVCHSDVIBZOLY-UHFFFAOYSA-N 357.822 4.719 0 50 FJAA Cc1cccc(C)c1N(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 1111252 SFIXVAYEPMQOQR-UHFFFAOYSA-N 358.290 4.576 0 50 FJAA C[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3Cl)nc2O1 1118548 XMPPPULSBWTDFF-LLVKDONJSA-N 370.865 4.635 0 50 FJAA O=C1C[C@H](c2c(Cl)cccc2Cl)c2c(c3ccccc3oc2=O)O1 1427225 YPOOMVMPSKEDBN-SNVBAGLBSA-N 361.180 4.541 0 50 FJAA CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1 2218889 VCHUJTROUWNOHU-UHFFFAOYSA-N 352.438 4.956 0 50 FJAA CC(C)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 2840920 JKRRPXQBBIEUGM-UHFFFAOYSA-N 367.474 4.515 0 50 FJAA CCCCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 2920575 NRGFGTHISKGSFC-MRXNPFEDSA-N 354.435 4.527 0 50 FJAA Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2C)cc1 4179868 IJKOKQJXLDYBKI-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2 4649477 AAQZPLWMAPNFHY-INROXSABSA-N 353.840 4.953 0 50 FJAA CC1(C)CC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)N1 4679006 JOSXSHDNNUJDIN-UHFFFAOYSA-N 360.354 4.589 0 50 FJAA C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 5048850 LBEWSFNIOHWDPK-SFHVURJKSA-N 373.500 4.506 0 50 FJAA O=C(NCc1ccncc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 6616217 DGCXRCLIZQLMTP-UHFFFAOYSA-N 373.843 4.880 0 50 FJAA CC(C)c1ccc(OCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 13882113 BQMIPSSUVLIGQS-HDICACEKSA-N 367.489 4.638 0 50 FJAA CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](C)O 16891620 JZSMZIOJUHECHW-WFKXUCKUSA-N 356.547 4.919 0 50 FJAA COc1cc(-c2cc(C(F)(F)F)c3c(C)noc3n2)ccc1OC(F)F 20605546 MRENQWIHUAZHPC-UHFFFAOYSA-N 374.265 4.827 0 50 FJAA O=C(c1cscn1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71721566 MZSKDSWBYGXNDN-CYBMUJFWSA-N 368.424 4.647 0 50 FJAA Cc1cc(F)ccc1NC(=O)CCn1ccnc1-c1ccnc2ccccc12 77392007 DBBYPOLWLAYQHU-UHFFFAOYSA-N 374.419 4.575 0 50 FJAA CCN(CCc1nccs1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 179119342 YYQSHIPTSZTZQX-UHFFFAOYSA-N 372.519 4.727 0 50 FJAA Cc1cc([C@H]2CCCCN2C(=O)Nc2ccc3sc(C)nc3c2)no1 299772384 VMWPTSBWXPSXTB-MRXNPFEDSA-N 356.451 4.660 0 50 FJAA Cc1c(C(=O)Oc2ccc(Cc3ccccc3)cc2)cnn1-c1ccccc1 1434998481 SDMIILSYQXYTJM-UHFFFAOYSA-N 368.436 4.991 0 50 FJAA c1ccc([C@@H]2CN(CCCOC[C@H]3CCCCO3)Cc3ccccc32)cc1 1875259820 VDEATESWLKGUBL-VWNXMTODSA-N 365.517 4.610 0 50 FJAA OCc1ccccc1CC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 2325734710 VIQOXBZNEYBQGH-UHFFFAOYSA-N 372.512 4.696 0 50 FJAA Cc1ccc(-c2nc(C(=O)O[C@@H]3CCC[C@H]3c3cccnc3)cs2)o1 2325743024 VJOWNGVPEHSHTJ-GOEBONIOSA-N 354.431 4.600 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCc2ccccc21 669242 IOSCEWXBJFPQMC-LBPRGKRZSA-N 350.245 4.740 0 50 FJAA CCOc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)cc1OCC 719207 ZBCMUSFIQSNQHQ-UHFFFAOYSA-N 367.367 4.684 0 50 FJAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(F)cccc1F 1055560 AULUQGFENRYMAB-UHFFFAOYSA-N 373.380 4.732 0 50 FJAA CC(=O)[C@@H](C(=O)Nc1ccccc1)C1c2ccccc2Oc2ccccc21 1060998 SDRARVMWUKJYRE-OAQYLSRUSA-N 357.409 4.768 0 50 FJAA Cc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 1207561 SYXWSIMOAXURGA-UHFFFAOYSA-N 360.891 4.990 0 50 FJAA CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 1216858 KOCQEABSTWZUEU-UHFFFAOYSA-N 365.260 4.774 0 50 FJAA COC(=O)c1sc2ncccc2c1OCc1c(Cl)cccc1Cl 1388002 FVHTYYYQIWSZCK-UHFFFAOYSA-N 368.241 4.969 0 50 FJAA C(=C/c1ccccc1)\CSc1nnc(-c2cnccn2)n1-c1ccccc1 2215579 IBBJIRFYRIMBHF-JXMROGBWSA-N 371.469 4.530 0 50 FJAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCC)cc2)c1 2828713 LADWMSRGGFMXRE-UHFFFAOYSA-N 354.450 4.856 0 50 FJAA COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Cl)c1O 2885034 KUROBGYLPHCKRP-CQSZACIVSA-N 353.805 4.682 0 50 FJAA CCOc1ccccc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccc(Cl)cc3)c21 5799692 LDJJJGHZLJIWLQ-HNNXBMFYSA-N 367.836 4.603 0 50 FJAA Clc1ccc(CSCCc2nc(-c3ccncc3)no2)cc1Cl 6698035 IRRJFTQIZYMGCQ-UHFFFAOYSA-N 366.273 4.914 0 50 FJAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 12702482 JYPRTEYNYRBMSX-SFHVURJKSA-N 373.928 4.829 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 36620329 FEWYLGWEVGLAEH-IBGZPJMESA-N 352.434 4.541 0 50 FJAA CC(C)Cc1cc(-c2c(-c3ccccc3)ncn2[C@H]2CCCC[C@@H]2O)n[nH]1 67678693 GSPGMVHQRANRFJ-PMACEKPBSA-N 364.493 4.615 0 50 FJAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCC[C@H]1CCc1cccs1 77406743 YZNBLXSMMCDUTH-INIZCTEOSA-N 365.502 4.766 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1CCCC[C@](O)(c1ccccc1)c1ccccn1 102196609 DOMLQNJBAMPKKT-VIZSFHNOSA-N 352.522 4.751 0 50 FJAA O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 247759510 ZTRBOBVGGNZMJG-NRHDKYBCSA-N 358.485 4.875 0 50 FJAA CCCC[C@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc(OC)cc1 253536878 IXWPAJYDTRRXHU-FQEVSTJZSA-N 364.445 4.610 0 50 FJAA CC(C)c1ccc(NC(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)cc1 263616496 JASPIKAJLLLREW-FQEVSTJZSA-N 361.445 4.530 0 50 FJAA Cc1cccc([C@H](NC(=O)CSCc2ccccc2Cl)C2CC2)n1 299756733 ILABDRPBAVNBGV-LJQANCHMSA-N 360.910 4.544 0 50 FJAA C[C@@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc2ccncc2s1 850470008 XPTZEWJAVIWNSU-ABAIWWIYSA-N 366.408 4.699 0 50 FJAA COc1cc(/C=C/C(=O)O)c(Cl)cc1OCc1c(F)cccc1Cl 1857526196 XOIUNVSYISDEDB-AATRIKPKSA-N 371.191 4.818 0 50 FJAA Cc1ccc([C@H](NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)C(F)(F)F)o1 1875341754 GBBWZQRNJVQOAK-VYMWTLDBSA-N 353.340 4.737 0 50 FJAA CCc1oc2ccccc2c1CN(C)C1=NC[C@H](c2ccc(Cl)cc2)N1 2325864324 MGZDHWYUTJDGKZ-GOSISDBHSA-N 367.880 4.781 0 50 FJAA CCOC(=O)c1cc(C(=O)c2cccs2)n2c1cc(C)c1ccccc12 633148 AKPUPLAUDOXIJJ-UHFFFAOYSA-N 363.438 4.870 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1 755335 IIDRDWMBFNDXAC-UHFFFAOYSA-N 363.804 4.724 0 50 FJAA Cn1c(COc2ccccc2)nnc1SCc1ccc(C(C)(C)C)cc1 1076976 OYNWEAUIQRRFSR-UHFFFAOYSA-N 367.518 4.984 0 50 FJAA O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NC1CCCCCC1 2849159 NGAPWJRJDMOFRM-UHFFFAOYSA-N 374.484 4.711 0 50 FJAA Cc1cc(Br)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 2970440 CRNGWJTUEOBSCH-UHFFFAOYSA-N 352.659 4.901 0 50 FJAA Cc1cc2cc(CNCc3c[nH]nc3-c3cc4ccccc4o3)ccc2[nH]1 11935268 QXRFXWRMFCCKLD-UHFFFAOYSA-N 356.429 4.902 0 50 FJAA COc1c(F)cc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1F 72145937 FSPZPJYCOQNTGC-UHFFFAOYSA-N 366.371 4.524 0 50 FJAA Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)Nc5ccccn5)(C4)C2)C3)cc1 106002587 QGKUBOFVPYLIEW-YUOVDFJASA-N 361.489 4.802 0 50 FJAA Fc1cccc(-c2cnc(CN3CCC(Oc4ccccc4)CC3)o2)c1 175124432 NLONSVGIOXRLPH-UHFFFAOYSA-N 352.409 4.524 0 50 FJAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ncsc1C(C)C 290077021 ZCQLZQTXHSJUQM-CQSZACIVSA-N 361.515 4.756 0 50 FJAA CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@@H](C)c3nccs3)cc2)nn1 534588891 LCCZAZJJUKIXEO-AWEZNQCLSA-N 366.490 4.557 0 50 FJAA CCOc1ccc([C@H](C)N(C)C(=O)c2cccc(NC(=O)C(C)C)c2)cc1 823374716 DJIJUXWVLSCRPF-INIZCTEOSA-N 368.477 4.513 0 50 FJAA Cc1cc(-n2ccnc2)ccc1C(=O)N(C(C)C)[C@H]1CCCc2cccnc21 952845076 WPJZZBRLHRSLBU-NRFANRHFSA-N 374.488 4.504 0 50 FJAA Cc1cc(NC(=O)[C@H](C)CCOc2ccccc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 1357830798 DBZSLIWLPCISTI-HYJFEMIMSA-N 367.493 4.596 0 50 FJAA CCc1c[nH]c2ncc(-c3cccc(Oc4ncccc4C(=O)O)c3)cc12 1875336843 ILKKSAYSVITHRS-UHFFFAOYSA-N 359.385 4.678 0 50 FJAA O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2cccs2)c1 670613 SDEHVGOTBLOXMR-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA CCc1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 675256 FHMNSBNSYJKYLA-UHFFFAOYSA-N 368.658 4.682 0 50 FJAA CCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 1180991 ZZSBJLMURHEPDA-PDGQHHTCSA-N 371.433 4.851 0 50 FJAA CC(C)(C)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 1789720 CAOIDMCDSOMCHJ-UHFFFAOYSA-N 372.925 4.902 0 50 FJAA COc1ccccc1-c1cc(C(=O)Nc2cccnc2)c2ccccc2n1 5048724 XBKDXTGCXWWKCQ-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA Cc1cc(NCc2cccnc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5490085 GABZCFOSPNLXNR-UHFFFAOYSA-N 363.852 4.674 0 50 FJAA O=C1Oc2ccc3cc(Br)ccc3c2C[C@@H]1c1ccccc1 29135396 KNCWGGDYISFPIT-MRXNPFEDSA-N 353.215 4.848 0 50 FJAA in-vitro CC[C@@H](C)Oc1c(CNCc2cc3cc(OC)ccc3[nH]2)cccc1OC 63870064 HTXSVLIPXAFTSS-OAHLLOKOSA-N 368.477 4.652 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1nc(C(C)C)no1 77470721 GEJZARNEHRFHHE-AWEZNQCLSA-N 358.467 4.555 0 50 FJAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1oc2c(C)ccc(C)c2c1C 186102434 ZGIPUTXRSVFYOV-UHFFFAOYSA-N 365.355 4.671 0 50 FJAA C[C@@H]1[C@@H](NCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCC[C@H]1C 239667446 BQDRHTAKHRGNGD-MSYCTHLASA-N 374.532 4.908 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCc3ccccc32)cn1 2356169851 JLCPLTMMIQLBLF-SFHVURJKSA-N 360.413 4.551 0 50 FJAA CCOC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950674 ACFXLMZIDFRCEV-UHFFFAOYSA-N 360.749 4.774 0 50 FJAA O=C(CSc1ncccn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1112624 PXWHGHCHXJYULI-UHFFFAOYSA-N 371.849 4.653 0 50 FJAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1oc2ccccc2c1C 1177844 GXFHFJXIJIMQLL-UHFFFAOYSA-N 358.850 4.830 0 50 FJAA CCOC(=O)c1sc(NC(=O)Nc2ccccc2)nc1-c1ccccc1 1398013 DHASJCUMZZTICD-UHFFFAOYSA-N 367.430 4.631 0 50 FJAA Cc1ccc([C@H](CC(=O)NCCc2ccccc2)c2ccccc2)c(O)c1C 2224184 LCGXJJBSHZWGRK-HSZRJFAPSA-N 373.496 4.890 0 50 FJAA COCc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)o1 19226255 KKTPVTCSSNYJKO-GOSISDBHSA-N 365.477 4.504 0 50 FJAA Cc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)oc2c(F)cccc12 39437649 WGRKEPAKZNGJFR-UHFFFAOYSA-N 364.376 4.808 0 50 FJAA CCN(CC)CCN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21 71770232 HEOHNSKXQPODRH-HXUWFJFHSA-N 354.519 4.599 0 50 FJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)Cc3ccncc3)cc12 82092525 HCCHHNAWWSLHHN-UHFFFAOYSA-N 373.431 4.536 0 50 FJAA O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](OCc2cccnc2)C1 91493077 KNPSOYIDHURJQU-OAQYLSRUSA-N 372.468 4.570 0 50 FJAA COc1ccc([C@H]2CCCN2c2nsc(-c3ccccc3)n2)c(OC)c1 170606573 XLUVYVUJMKDZJO-QGZVFWFLSA-N 367.474 4.564 0 50 FJAA COCC[C@H]1CCCCN1C(=O)Nc1ccc(/C=C/c2ccccn2)cc1 299757834 KDZNYXFVUHGEQW-OGECGYFKSA-N 365.477 4.675 0 50 FJAA O=C(Nc1cc(F)ccc1Cl)N1CCCC[C@H]1CCc1ccccn1 299780672 CENZWNYEYODPTI-INIZCTEOSA-N 361.848 4.893 0 50 FJAA C[C@H](NC(=O)c1ccc[nH]1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1875262839 SPNCHRUDUVDRRI-VIFPVBQESA-N 366.273 4.936 0 50 FJAA CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(C2(F)CC2)n1 1875331869 XPHIUQAHGGUDJA-LBPRGKRZSA-N 355.207 4.567 0 50 FJAA C[C@H](CC(F)F)NC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 2325736623 UHHCTOXXIHDRNA-LLVKDONJSA-N 364.358 4.638 0 50 FJAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1 1171418 BZTQHAXGCFETGO-UHFFFAOYSA-N 364.470 4.754 0 50 FJAA Cc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)c(C)c1 1175026 WLCPZHRURQZTKU-UHFFFAOYSA-N 356.422 4.937 0 50 FJAA CC(=O)Nc1ccc(OC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1752641 ZQFAXXVLZHMUNH-UHFFFAOYSA-N 372.730 4.928 0 50 FJAA FC(F)Oc1ccc(-n2c(-c3ccccc3)c[n+]3c2CCCCC3)cc1 5572293 AZSMSXAKQMXWCL-UHFFFAOYSA-N 355.408 4.760 0 50 FJAA CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1 6810692 IOITXIMXVSMIQM-UHFFFAOYSA-N 363.457 4.758 0 50 FJAA CC(C)(C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12151427 PVBLDAFDSWPGGP-QGZVFWFLSA-N 361.489 4.982 0 50 FJAA CCOc1cccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)c1 16944778 XMQNSFKKVVUMFB-UHFFFAOYSA-N 354.435 4.556 0 50 FJAA Cn1c(S)nnc1-c1cc(-c2ccccc2Cl)nc2ccccc12 17073125 HCXLFHLMSSFRHD-UHFFFAOYSA-N 352.850 4.639 0 50 FJAA 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 33986302 WVHKCBDRQIXZLC-UMWWKMARSA-N 360.494 4.582 0 50 FJAA biogenic Cc1noc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)n1 91563142 QKNDWOCOKMLEJS-OAHLLOKOSA-N 371.824 4.659 0 50 FJAA O=C(Nc1ccc2ncsc2c1)N1CCCC[C@@H]1CCc1ccccn1 299757755 MVGZHQAAEFBKFH-QGZVFWFLSA-N 366.490 4.711 0 50 FJAA CC[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccnc(C)c3)cc2)cc1 426372171 GHXBSECKRRRFTM-HSZRJFAPSA-N 374.484 4.773 0 50 FJAA Clc1cc2c(-c3ccncc3)n[nH]c(=NC3CCCC3)c2cc1Cl 521836458 ABGOSOMRWSYAOB-UHFFFAOYSA-N 359.260 4.775 0 50 FJAA in-vitro Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)C)c(C)c3)CC2=O)c(C)c1 1857799529 IULQBXKMFQQLOP-GOSISDBHSA-N 364.489 4.727 0 50 FJAA C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ncc(-c2ccc(F)cc2)o1 1875322759 GKHRMNDMCDZTET-ZDUSSCGKSA-N 365.408 4.929 0 50 FJAA Cc1c(NS(=O)(=O)c2sccc2C2CC2)cccc1C(F)(F)F 2325866540 OVAGPSZPAVXQQC-UHFFFAOYSA-N 361.410 4.754 0 50 FJAA COc1ccc(Cl)cc1-n1nc2c(c1C)C(=O)C[C@H](c1ccccc1)C2 1421396 LTHWDDKCDVJYRW-OAHLLOKOSA-N 366.848 4.755 0 50 FJAA CCN(CC)Cc1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 1512231 QPJFOIDSDMJDCJ-UHFFFAOYSA-N 372.534 4.730 0 50 FJAA aggregator O=C(O)c1ccccc1C(=O)O[C@H]1Cc2ccc(cc2)CCc2ccc1cc2 4788210 MMUHEXGGDHKTCB-QFIPXVFZSA-N 372.420 4.624 0 50 FJAA COc1cc2ccccc2cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 6372813 OYXASEXFFDCYMJ-UHFFFAOYSA-N 361.319 4.999 0 50 FJAA Cc1c([C@@H](C)NCc2c(C)n(C)c3ccccc23)cnn1-c1ccccc1 12435040 JFVYMMDWFKSKLR-MRXNPFEDSA-N 358.489 4.832 0 50 FJAA Cc1ccc(C(C)C)c(OCCn2c(SCCO)nc3ccccc32)c1 16345759 IHLHHFYHYLYKBC-UHFFFAOYSA-N 370.518 4.632 0 50 FJAA COc1cccc(-c2nc3ccccc3o2)c1C(=O)N(C(C)C)C(C)C 32593219 MWPVOMPFNZAVIG-UHFFFAOYSA-N 352.434 4.762 0 50 FJAA Cc1cc(C(=O)N(C)Cc2[nH]c3ccccc3c2C)c2ccc(F)cc2n1 82156978 NHEPFORZBZAZLR-UHFFFAOYSA-N 361.420 4.744 0 50 FJAA COc1ccc(-c2ccc(C(=O)N[C@@H](c3ncccc3C)C3CC3)o2)cc1 96151639 PERMDXIUCBJSQI-OAQYLSRUSA-N 362.429 4.540 0 50 FJAA Cc1c(NC(=O)c2ccc(C(C)C)nc2)cnn1-c1cccc(Cl)c1 151966433 XBUDGXOEELGUPX-UHFFFAOYSA-N 354.841 4.605 0 50 FJAA Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCC[C@H](C(C)(C)C)CC1 174523644 ZUXJAZXSJRWCDP-INIZCTEOSA-N 373.497 4.632 0 50 FJAA Cc1nc([C@H]2CCCN2C(=O)NCC2(c3ccc(F)cc3)CCC2)cs1 186713468 FMOOWYDVQJBDJL-GOSISDBHSA-N 373.497 4.559 0 50 FJAA CC[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1nc(C(F)(F)F)cs1 194306794 USCBGSDDRPNFGX-LLVKDONJSA-N 368.384 4.916 0 50 FJAA Fc1ccc([C@@H]2CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)cc1 215868481 AXKYTDKZFHFKCT-HXUWFJFHSA-N 372.447 4.525 0 50 FJAA CCOc1cc(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)ccc1OC 252507448 WMCPHVUIFOOPEI-UHFFFAOYSA-N 367.449 4.629 0 50 FJAA COCCC1CCN(C(=O)c2cccc(-c3ccc(Cl)cc3)c2)CC1 299759058 NDFHWPAPGGGULU-UHFFFAOYSA-N 357.881 4.896 0 50 FJAA CC(C)C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(C(C)C)n2)c1)n1cccc1 409414304 PAZYVKALZDOBNJ-SFHVURJKSA-N 365.481 4.623 0 50 FJAA COCC[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3F)cc2)C1 426705581 DFXMVCFYFRZJGU-HNNXBMFYSA-N 359.416 4.521 0 50 FJAA Cc1cc(-c2cccc(C(=O)N[C@@H](C)CN3CCCC3)c2)c(Cl)cc1F 584896930 UGBXUUKZYSIYMZ-HNNXBMFYSA-N 374.887 4.669 0 50 FJAA Cc1nccn1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 799165 UBSZWJQSQYZWPU-OAHLLOKOSA-N 374.271 4.667 0 50 FJAA Cn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21 845786 LAKIFFMNDJWISN-UHFFFAOYSA-N 367.456 4.583 0 50 FJAA Cc1ccc(NC(=O)COc2c(C)ccc(C)c2C)c(Br)c1 951227 UZBBWUDZZKBIQH-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA COc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1Cl 1155096 QVCWAUKLHKSWRF-UHFFFAOYSA-N 361.894 4.699 0 50 FJAA Cc1ccccc1Cn1ccc(NC(=O)c2cc(Cl)ccc2Cl)n1 2754047 DMWJGIOMAVRHEV-UHFFFAOYSA-N 360.244 4.799 0 50 FJAA C[C@@H](NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1)c1ccccc1 2836523 VEPLNCYVSUTOAM-CYBMUJFWSA-N 368.820 4.676 0 50 FJAA CCOc1ccc(OCCOCCOc2cccc3ccccc23)cc1 2983933 JKTXAOZBWLALNV-UHFFFAOYSA-N 352.430 4.713 0 50 FJAA O=C(Nc1ccccc1F)c1ccc(CN2CCc3ccccc3C2)cc1 19913714 LIXIJZFGODUAES-UHFFFAOYSA-N 360.432 4.636 0 50 FJAA Oc1ccc(Cc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nc1 32099200 ASDDZKNGQMDDPD-UHFFFAOYSA-N 372.268 4.964 0 50 FJAA Cc1c(C2CCCCC2)noc1NC(=O)c1ncsc1C(F)(F)F 297751028 LOPGTFJBWBZXSJ-UHFFFAOYSA-N 359.373 4.758 0 50 FJAA CC[C@@H](CN(C)C)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1 426597334 APLIMJAQDSFSBK-HNNXBMFYSA-N 365.304 4.730 0 50 FJAA CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 843654 WUPIHWLNWSANDL-CYBMUJFWSA-N 363.280 4.790 0 50 FJAA CC(C)(C)c1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 917456 LWXZQLWVQJYVLM-UHFFFAOYSA-N 365.458 4.712 0 50 FJAA COc1ccc(-c2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 1112530 OWKHTVRVTIULEE-UHFFFAOYSA-N 352.397 4.620 0 50 FJAA COC(=O)c1sccc1NC(=O)c1sc2cc(C)ccc2c1Cl 1117067 PVHISPDQARJIEZ-UHFFFAOYSA-N 365.863 4.964 0 50 FJAA Clc1cc(Cl)c(OCc2nc(-c3cccnc3)no2)cc1Cl 2850692 RUITXOLZGCSFLH-UHFFFAOYSA-N 356.596 4.671 0 50 FJAA O=C(Nc1cccnc1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 2868177 KHYIFDWDIWOXOK-UHFFFAOYSA-N 360.804 4.598 0 50 FJAA 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 3938695 KIQQMECNKUGGKA-NMYWJIRASA-N 369.505 4.715 0 50 FJAA fda CN1CCN(c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1 4541715 TVKNYMRECWINQC-UHFFFAOYSA-N 359.517 4.951 0 50 FJAA O=C(O)c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1 4621977 XUVDXWDBJUGEIE-UHFFFAOYSA-N 351.377 4.715 0 50 FJAA Cc1c(Cl)cccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 5041259 YTWGKKPYSJTUIM-UHFFFAOYSA-N 372.940 4.513 0 50 FJAA Cc1cccc(NC(=O)CSCc2ccccc2Br)c1 5102620 SAVQLVZWSKZTGJ-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA CC(C)Oc1ccc(Cc2nnc(S)n2-c2ccccc2)cc1Cl 5563433 POXKYTHAEOLATH-UHFFFAOYSA-N 359.882 4.587 0 50 FJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC2CCSCC2)cc1 11999108 CDDHIDRRFKQKOI-IBGZPJMESA-N 355.551 4.679 0 50 FJAA COc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 20551124 NLGMFPMJFQXPDY-INIZCTEOSA-N 361.441 4.862 0 50 FJAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@H]23)cc(OC)c1OC 35360414 AQBBFSKOSSOTID-GQWLDOHISA-N 369.461 4.655 0 50 FJAA Cc1nc(CN2CC[C@@H](c3ccnc(-c4cccc5cccnc45)c3)C2)co1 65526326 MJFNTSZUSYCONV-LJQANCHMSA-N 370.456 4.583 0 50 FJAA CC(C)C[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1 72151122 IWKIHKCVCIGGMA-SFHVURJKSA-N 364.497 4.615 0 50 FJAA Cc1c(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)[nH]c2ccccc12 91849248 DBRATPHQEGEMGE-INIZCTEOSA-N 372.472 4.681 0 50 FJAA Cc1oc(-c2ccco2)nc1CN(Cc1ccnc(OC(C)C)c1)C1CC1 122375948 XMCDDGBSPIYHFE-UHFFFAOYSA-N 367.449 4.590 0 50 FJAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc2cccc(Cl)c2s1 170613346 ZBHRYYRXRLYTQJ-HOCLYGCPSA-N 362.926 4.549 0 50 FJAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCc4ccccc43)c2c1 1460393 FEZLESCNWPFPOE-UHFFFAOYSA-N 365.436 4.808 0 50 FJAA CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)c1 2272971 HLCVIMFZVNPKTJ-UHFFFAOYSA-N 368.462 4.946 0 50 FJAA O=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1cccs1 5062109 LJKYYPOJNJNYKB-RVDMUPIBSA-N 351.456 4.614 0 50 FJAA CC[C@H](C)CC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 12098106 XYLJGSLLQWCJGJ-MAUKXSAKSA-N 369.484 4.733 0 50 FJAA OCC1(CCCc2ccccc2)CCN(Cc2cc(F)ccc2F)CC1 12111987 JXWRZNOWCILLQQ-UHFFFAOYSA-N 359.460 4.562 0 50 FJAA Cc1ccc(C)c(-n2cc(CN(C)Cc3ccon3)c(-c3ccccc3)n2)c1 12706011 SIYBVOKUOYWTLP-UHFFFAOYSA-N 372.472 4.776 0 50 FJAA O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 34762451 RPRRPKJKACRJDD-UHFFFAOYSA-N 353.381 4.571 0 50 FJAA c1ccc(COCc2c(-c3ccccc3)ncn2CCc2ccccn2)cc1 65370028 BEMPBHUWUOVHJX-UHFFFAOYSA-N 369.468 4.905 0 50 FJAA CC(C)(C)c1csc(CN(Cc2ccc(F)cc2)C2CCOCC2)n1 225670037 XDVIFOSTFGRALR-UHFFFAOYSA-N 362.514 4.761 0 50 FJAA CCC[C@@H]1COCCN1C(=O)c1cccc(-c2cc(C)c(OC)cc2C)c1 426377880 DJTKJWQIEVSCBO-HXUWFJFHSA-N 367.489 4.620 0 50 FJAA CC(C)[C@@H](NC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)c1cccnc1 534648541 BIKSBECSDJNXLN-OAQYLSRUSA-N 362.477 4.634 0 50 FJAA Cc1ccc(-c2nc(CCN(C)C)n(-c3cccc4ccccc34)n2)cc1 1875347988 DSXUTPDFOKNUQM-UHFFFAOYSA-N 356.473 4.500 0 50 FJAA FC(F)(CNCc1ccc(Br)c2cccnc12)C1CCC1 2325740746 WJSUZNXMSDSHRH-UHFFFAOYSA-N 355.226 4.522 0 50 FJAA CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 947454 PBYRLMXKVUSRQX-JLHYYAGUSA-N 350.443 4.861 0 50 FJAA CCOc1ccc(OCc2ccc(C(=O)NC3CCCCCC3)o2)cc1 998852 QVBPOUCLTKXRRI-UHFFFAOYSA-N 357.450 4.710 0 50 FJAA COc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(Cl)cc1 2994364 DCRPNRHLFIDMND-UHFFFAOYSA-N 361.894 4.699 0 50 FJAA COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC 17836230 JLJAVUZBHSLLJL-GKHNXXNSSA-N 372.461 4.806 0 50 FJAA biogenic,in-vitro COc1cc2c(cc1OC)CN(Cc1ccc(Cl)cc1Cl)CC2 19537598 AZEOSUKJHNKXSY-UHFFFAOYSA-N 352.261 4.569 0 50 FJAA O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 165897499 VLRUJFXAMKPCII-UHFFFAOYSA-N 363.369 4.531 0 50 FJAA C[C@H](NC(=O)NC1CCN(C2CCCCC2)CC1)c1cc2ccccc2o1 177514985 SUQSJRFETGIVHO-INIZCTEOSA-N 369.509 4.590 0 50 FJAA CC(C)(CO)[C@H](CN[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 242147540 WSNXKPNHQJYBFB-MSOLQXFVSA-N 351.412 4.682 0 50 FJAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C12CCCC2 252515865 OFHRAKPDKMYADK-LVQVYYBASA-N 361.448 4.551 0 50 FJAA Cc1nc(-c2cccc(-c3ccccc3C(=O)N(C(C)C)C(C)C)c2)no1 534670799 BVPNBLCOQFRXCK-UHFFFAOYSA-N 363.461 4.971 0 50 FJAA Cc1cccc(COc2ccc([C@H](C)NC(=O)C[C@@H]3CCCCO3)cc2)c1 1352489242 GGJCZOINSYYAOO-AVRDEDQJSA-N 367.489 4.710 0 50 FJAA Cc1ccc2cc(Cl)cc(C(=O)Nc3cc(F)cc(N(C)C)c3)c2n1 1461322757 SRGXWRGDJDNWIN-UHFFFAOYSA-N 357.816 4.654 0 50 FJAA CC(=O)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 1125464 XTBPTPXNDWLTRO-UHFFFAOYSA-N 358.393 4.870 0 50 FJAA O=C(NCC1(c2ccccc2)CCCC1)c1cccc(Br)c1 1179999 HYEHHPSWLBIMKF-UHFFFAOYSA-N 358.279 4.691 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 1230761 GXRHSCMVPNQUHD-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA COc1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1 4542899 WLDWDJTXCOMPKW-UHFFFAOYSA-N 361.489 4.808 0 50 FJAA COc1cc(C(C)=O)ccc1OCCCCn1cnc2cc(C)c(C)cc21 4759495 GQTNUSRUTZPKHW-UHFFFAOYSA-N 366.461 4.724 0 50 FJAA O=C(C[C@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Br)cc1 5344494 LBQUFQVKTAOABB-AWEZNQCLSA-N 367.626 4.544 0 50 FJAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 77284740 WOZGUELFOOVYPC-SFHVURJKSA-N 370.456 4.578 0 50 FJAA C=CC(=O)Nc1cc(NC(=O)[C@@H](C)c2ccc3ccccc3c2)ccc1F 136586243 NKRQWHWCDFFWEJ-AWEZNQCLSA-N 362.404 4.846 0 50 FJAA Fc1cccc(Oc2ccccc2NCc2noc(C3CCOCC3)n2)c1 153679021 JAGBACQCBVQAKZ-UHFFFAOYSA-N 369.396 4.507 0 50 FJAA O=C1[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 226395875 OGHYAEQLPCICKY-OBFXIHLUSA-N 367.448 4.769 0 50 FJAA CC(C)C[C@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)n1cccc1 263587889 MLVMOQASEIXQLT-WOJBJXKFSA-N 367.468 4.890 0 50 FJAA COc1ccc2c(c1)CN(C(=O)c1cc(C)oc1C)[C@H](c1ccccc1)C2 1355973572 AQAVIHKADUKXFJ-QFIPXVFZSA-N 361.441 4.845 0 50 FJAA Cc1cc(NC(=O)[C@@H](C)CCOc2ccccc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 1357830800 DBZSLIWLPCISTI-TXJVSEOTSA-N 367.493 4.596 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccccc1-c1ccccc1F)C2 1704298010 BNBZVVFIWQDVET-FYYLOGMGSA-N 367.464 4.914 0 50 FJAA COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc(C)c1C 657003 MOMSYPWFERHGNO-DHZHZOJOSA-N 357.475 4.927 0 50 FJAA CC(=O)c1cccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c1 945327 BOIVHTMTLPCXSL-UHFFFAOYSA-N 359.425 4.882 0 50 FJAA O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 1155743 FQKIAOQOFUWHBE-UHFFFAOYSA-N 369.286 4.525 0 50 FJAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1183593 DGNDAGFFVFLTSA-WEVVVXLNSA-N 365.285 4.828 0 50 FJAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1210381 XGLHJYBFSVMWOC-OAHLLOKOSA-N 357.413 4.636 0 50 FJAA CCC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1Br 1233898 UEMHBONBUSYQEP-UHFFFAOYSA-N 366.642 4.948 0 50 FJAA COc1ccc(OCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1 4701771 CCLQQUXPMGFXHF-UHFFFAOYSA-N 362.425 4.774 0 50 FJAA O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 4854224 ZUXHVMXOTOYINI-UWJYYQICSA-N 360.438 4.501 0 50 FJAA c1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 6977003 AHZJJUWUBHPAIG-UHFFFAOYSA-N 374.469 4.500 0 50 FJAA Fc1cccc(CN2CCC(c3[nH]ncc3-c3ccccc3)CC2)c1F 11785191 OTTNESLUTCJOPI-UHFFFAOYSA-N 353.416 4.735 0 50 FJAA CCCCc1nc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c[nH]1 12305749 PDUUIJZKOVTBLS-INIZCTEOSA-N 359.901 4.501 0 50 FJAA Fc1ccc2c(c1)nc(C1CCC1)n2C1CCN([C@@H]2CCSC2)CC1 14995519 GOKFCBGWHOLZDA-QGZVFWFLSA-N 359.514 4.585 0 50 FJAA CCCC[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)Cc2ccccc2O1 15006416 GSIDQDOJEMVONC-OAQYLSRUSA-N 352.478 4.598 0 50 FJAA Clc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1Cl 55543311 CPSXMBGSZVHLEL-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nn1 65364466 MHFPZYUFIFSZDL-UHFFFAOYSA-N 353.813 4.826 0 50 FJAA c1ccc(-c2ncn(C[C@@H]3CCCO3)c2-c2cccc3cnccc23)cc1 65503903 ZTWBGUIZEMLILJ-IBGZPJMESA-N 355.441 4.944 0 50 FJAA COc1cc(C)ccc1CN[C@H](C)c1sc(-c2cccnc2)nc1C 119843651 RARWUPAPYHRMAL-CQSZACIVSA-N 353.491 4.681 0 50 FJAA CC(C)c1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)no1 225443958 DZYUZDUKZHERTG-UHFFFAOYSA-N 369.657 4.559 0 50 FJAA O=C(CCc1cc(F)ccc1F)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 328589494 DBHQBKQMIWPTCT-FNLKRUPLSA-N 355.428 4.835 0 50 FJAA Cc1ccc(NCn2c(=O)n(CNc3ccc(C)cc3)c3ccccc32)cc1 334163652 ZVSLEPXBRAZSRG-UHFFFAOYSA-N 372.472 4.559 0 50 FJAA O[C@@H](c1cccs1)C1CCN(Cc2ccccc2OC(F)(F)F)CC1 1529169341 WLQJQNJGULIMSY-QGZVFWFLSA-N 371.424 4.592 0 50 FJAA CC(C)(C)OC(=O)[C@H](CC1CCCCC1)NCc1cccc(O)c1Cl 1875334196 CXJWLKJPLQWIQZ-INIZCTEOSA-N 367.917 4.816 0 50 FJAA CC[C@H](C)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1 1003045 ABJOULSMPYSQCA-NSHDSACASA-N 358.392 4.741 0 50 FJAA COc1ccccc1C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 2704846 CSHSJUOIGXFFNP-UHFFFAOYSA-N 371.392 4.925 0 50 FJAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 4557100 WECGLUPZRHILCT-KKFOGOCZSA-N 354.531 4.696 0 50 FJAA biogenic,in-vitro Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3c(=O)[nH]2)c1 4649930 YNYONZGUZOVIII-UHFFFAOYSA-N 354.475 4.526 0 50 FJAA CC1(C)CC(NC(=O)c2ccccc2CCc2ccccc2)CC(C)(C)N1 4832531 MLXZRYQNWVXGRP-UHFFFAOYSA-N 364.533 4.511 0 50 FJAA S=C(NCc1ccc(Cl)cc1)NCc1ccc(Cl)c(Cl)c1 17074165 UPWRZTCBPSJLAX-UHFFFAOYSA-N 359.709 4.811 0 50 FJAA O=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccco1)Cc1cccs1 19227738 BEOLOKHIBQEXCQ-UHFFFAOYSA-N 363.442 4.574 0 50 FJAA Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccco3)C2)n1 20543402 UQVTWHOLPUWQII-KRWDZBQOSA-N 351.425 4.564 0 50 FJAA Cc1ccsc1CN(Cc1cc2ccc(F)cc2[nH]c1=O)CC(C)C 55575989 ISZNBGLBBAVOIJ-UHFFFAOYSA-N 358.482 4.695 0 50 FJAA O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 100774505 XXLAOJXHYIWDPL-GOSISDBHSA-N 357.409 4.601 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N2CCC[C@@H](CO)C2)cc1 299779479 RRJGZSQGKIGVBH-GOSISDBHSA-N 370.518 4.524 0 50 FJAA CCOC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 299803039 UZJOJIGFUSRULM-KRWDZBQOSA-N 370.449 4.520 0 50 FJAA O[C@@H](CNCc1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 311588481 FXAPYQXYYSGZHZ-QFIPXVFZSA-N 367.876 4.742 0 50 FJAA c1ccc2oc([C@H]3CCCN(Cc4ccc(-c5cc[nH]n5)s4)C3)nc2c1 952960404 SHWPGPLQIGQKNY-AWEZNQCLSA-N 364.474 4.659 0 50 FJAA CCCC[C@H]1CN(c2cc(C)c3cccc(OC)c3n2)C[C@@H](C2CC2)O1 1616084496 YJGDOIQACKHNPR-PXNSSMCTSA-N 354.494 4.726 0 50 FJAA CCCN1CCC[C@H](n2ccnc2-c2ccc(-c3ccc(OC)cc3)o2)C1 1857674662 RYAALKYOVDBDPC-SFHVURJKSA-N 365.477 4.866 0 50 FJAA O=C(NC(=O)c1ccc2ccccc2c1)Nc1ccccc1Br 625546 AOFIYVXIDQCOMS-UHFFFAOYSA-N 369.218 4.564 0 50 FJAA O[C@H](CN1CCCCCC1)CN1c2ccccc2Sc2ccccc21 706988 FVPBECKJQJHQAY-QGZVFWFLSA-N 354.519 4.526 0 50 FJAA COc1ccccc1NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1 812252 FEPQKMPUKJRUMC-UHFFFAOYSA-N 351.402 4.736 0 50 FJAA CC(C)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950672 GICZOYFRRUIFMB-UHFFFAOYSA-N 358.777 4.800 0 50 FJAA COc1cc(OC)c(NC(=O)c2cc3c(s2)CCCC3)cc1Cl 1054532 HHJHSQZGRFBYJR-UHFFFAOYSA-N 351.855 4.550 0 50 FJAA O=C(Oc1ccc(Cl)cc1)c1ccc(COC(=O)c2cccs2)cc1 1074707 OHTBRIHIKKLAEG-UHFFFAOYSA-N 372.829 4.978 0 50 FJAA S=C(NCc1ccc(Cl)cc1)Nc1ccc(Br)cc1 1177290 KXGGTPMPKGRNAJ-UHFFFAOYSA-N 355.688 4.589 0 50 FJAA CCc1ccc(OCc2nc(-c3cccc(C)c3)no2)c(Br)c1 2385665 ASPOUZINVOARRW-UHFFFAOYSA-N 373.250 4.949 0 50 FJAA CCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 2854100 SKVGQXGKBMPFLN-KRWDZBQOSA-N 352.478 4.566 0 50 FJAA COc1ccc(OCCCOc2c(C)cc(C)cc2Br)cc1 2987012 XPCPGWKPQFQZEO-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA CCN(C(=O)c1cccc(NC(=O)c2ccccc2OC)c1)c1ccccc1 12138392 YWVCLISPUZLUDT-UHFFFAOYSA-N 374.440 4.614 0 50 FJAA COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccnc1 13328671 MZUBXHSVEXFWQY-UHFFFAOYSA-N 372.833 4.502 0 50 FJAA COc1cccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 13331377 UNXYUJNLBLTALT-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1c1cccs1 15837591 MXZBJLQTOCOJQR-CYBMUJFWSA-N 351.269 4.880 0 50 FJAA Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)cc1 20779222 WVMWWHFAPOLSKH-HSZRJFAPSA-N 357.432 4.850 0 50 FJAA Cc1c(NCc2cccnc2)cccc1C(=O)NCc1ccccc1Cl 55384731 MAIRTWDGXWEQLY-UHFFFAOYSA-N 365.864 4.586 0 50 FJAA Cc1noc(C)c1Cn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)O 65408852 KEJQOFUOAKITSW-UHFFFAOYSA-N 373.412 4.568 0 50 FJAA Fc1ccc(CC[C@@H]2CCCN(c3cnc4ccccc4n3)C2)c(F)c1 72425763 TUSJBELHQOOLNI-HNNXBMFYSA-N 353.416 4.757 0 50 FJAA C[C@H]1CCc2c(sc3ncnc(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c23)C1 238899629 GWEZRYUFIJJLIF-QTCYRWPVSA-N 355.551 5.221 0 50 FJAA C[C@@H]1[C@@H](N[C@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)CCC[C@H]1C 245253913 RROFHMUQHXNYJT-XKPGHWPRSA-N 352.522 4.640 0 50 FJAA Cc1ccccc1C1CC(N(C(=O)c2ccc(C(=O)CF)cc2)C2CC2)C1 1875302981 PWAPTLMPEJMFSA-UHFFFAOYSA-N 365.448 4.698 0 50 FJAA Cc1ccccc1C[C@H](CO)CN[C@H](Cc1ccccc1C)c1ccco1 2325841921 JZCSUMFWIRHRNG-NZQKXSOJSA-N 363.501 4.621 0 50 FJAA COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)C23CCCCC3)cc1 1080886 XYKRQYKVEDGQPJ-FQEVSTJZSA-N 351.446 4.742 0 50 FJAA Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 1174933 RYSWONPSOLJDOZ-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA CC(=O)Nc1cccc(-c2csc(Nc3ccc(C(C)=O)cc3)n2)c1 2860926 AOYWKEDVQALSLP-UHFFFAOYSA-N 351.431 4.715 0 50 FJAA CCOc1ccccc1OCCOc1cc(C)c(C)cc1Br 2991082 LMENIPREGSIREV-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA COc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1 4541744 LWMMOUIVKYYTLT-UHFFFAOYSA-N 355.441 4.960 0 50 FJAA Cc1ccc(OCC(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1 5017048 MCPARCCLYFDRQD-UHFFFAOYSA-N 370.449 4.507 0 50 FJAA O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccncc1 5943948 CHEGFRFOESDVKO-UHFFFAOYSA-N 365.776 4.501 0 50 FJAA CC(=O)c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2C)cc1 13497330 VJGHNFYWSGWGPS-UHFFFAOYSA-N 350.390 4.608 0 50 FJAA CC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCC(=O)O 34961962 OAZUCYZBXHOCES-VABGYXHOSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c2cccc(C)c2n1 82147770 GEAFMMSCLZYZEM-IBGZPJMESA-N 363.461 4.940 0 50 FJAA O=C(COc1ccccc1F)Nc1c(F)cc(F)cc1-c1ccccc1 124437495 MOVQBUYEZCYVPF-UHFFFAOYSA-N 357.331 4.788 0 50 FJAA CCOP(=O)(OCC)[C@@H](C[Si](C)(C)C)C(=O)OC(C)(C)CC 169807152 WXADOZSWDXJEEQ-ZDUSSCGKSA-N 352.484 4.691 0 50 FJAA COc1cnccc1[C@H](C)NC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 187503874 FIVXCSPXVCNRIO-INIZCTEOSA-N 367.493 4.649 0 50 FJAA Cc1ccc([C@@H](CC(F)(F)F)NC(=O)c2cnc(O)c3ccccc23)cc1 253536939 RGFJDMGKJXTGCJ-QGZVFWFLSA-N 374.362 4.672 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1cc(F)c(C(=O)O)c(F)c1)C(C)C 534633677 LXYMPGRTYIDXFG-UHFFFAOYSA-N 361.388 4.589 0 50 FJAA O=C(Nc1ccc2nccc(Cl)c2c1)c1cc2ccncc2cc1F 1875341774 HIVAFMVFQBQAHT-UHFFFAOYSA-N 351.768 4.828 0 50 FJAA O=C(C[C@H]1CCC(F)(F)C1)N1CCC(F)(c2cccc(Cl)c2)CC1 2325738161 JHAUDNNWNIYCRD-CYBMUJFWSA-N 359.819 4.953 0 50 FJAA CC(C)(C)O[C@@H]1C[C@@H](CC(=O)Nc2n[nH]c3c(Cl)cccc23)C1(C)C 2325840134 QNNZDWBWKZAAJQ-SMDDNHRTSA-N 363.889 4.775 0 50 FJAA CC1(C)CCc2cccc(NS(=O)(=O)c3sccc3C3CC3)c2O1 2325866341 HYCPCSDEDSJWQR-UHFFFAOYSA-N 363.504 4.530 0 50 FJAA C[C@@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1 852645 KNWDGZUFTMYBGN-OPAMFIHVSA-N 374.484 4.706 0 50 FJAA CCN1C(=O)c2cccc3c(NC(=O)c4ccc(Cl)s4)ccc1c23 1201862 YROVULPGLLCTMY-UHFFFAOYSA-N 356.834 4.787 0 50 FJAA Cc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1 2876790 ULMWKDJOKLBWPG-UHFFFAOYSA-N 371.263 4.591 0 50 FJAA O=C(Cn1c2ccccc2c2ccccc21)Sc1nc2ccccc2[nH]1 2961943 SUOHJIHEXFVGLJ-UHFFFAOYSA-N 357.438 4.990 0 50 FJAA CCOC(=O)C[C@H](NC(=O)[C@H](CC)c1ccccc1)c1ccccc1Cl 3627312 MDTSTNLXQUIDDV-APWZRJJASA-N 373.880 4.644 0 50 FJAA Cc1ccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1 10973302 ZYIHZYXPYPPCIP-UHFFFAOYSA-N 374.815 4.584 0 50 FJAA Cc1ccc2oc(C(=O)N(C)Cc3cccc(-n4cccn4)c3)c(C)c2c1 11996679 NPNFWDGOKWTMKD-UHFFFAOYSA-N 359.429 4.508 0 50 FJAA CCN(C(=O)c1cccc(NC(=O)Nc2ccccc2)c1)c1ccccc1 12138650 XDIJAVFESDMVHH-UHFFFAOYSA-N 359.429 4.997 0 50 FJAA CC1CCN([C@@H](CNC(=O)c2ccccc2Cl)c2cccs2)CC1 22680792 ASZOKRSUXYTOHW-KRWDZBQOSA-N 362.926 4.605 0 50 FJAA CCCC(=O)N(c1ccccc1)C1CCN([C@@H](C)Cc2ccccc2)CC1 32164828 IPIGJTVNMCMXMT-FQEVSTJZSA-N 364.533 4.915 0 50 FJAA in-vitro Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cncn2CC(C)C)C1 67821505 LNGPNJMHEPYWAA-KRWDZBQOSA-N 373.928 4.596 0 50 FJAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)c1C 71745565 BEAAJRAVDAYRSV-LJQANCHMSA-N 366.505 4.628 0 50 FJAA Cc1cc(CNC(=O)[C@H](C)n2cccn2)c2[nH]c(-c3ccccc3)c(C)c2c1 71755369 NXFKECWQAQCECV-KRWDZBQOSA-N 372.472 4.526 0 50 FJAA O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NC1CC(c2ccccc2)C1 170621586 ZTBRWSPQZQPQDQ-UHFFFAOYSA-N 366.848 4.600 0 50 FJAA COCC[C@H]1CCCN(C(=O)c2cccc(-c3cccc4[nH]ccc34)c2)C1 426552387 VHOMCCGBLKSUHY-QGZVFWFLSA-N 362.473 4.724 0 50 FJAA O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(Cl)nc(Cl)c1 920440165 COUOQPILCPOGLO-UHFFFAOYSA-N 372.664 4.582 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3c(Cl)cccc3Cl)C1)CC2 2356142244 JZHHLVMYEHBXLY-LJQANCHMSA-N 362.304 4.572 0 50 FJAA COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc(OC)c1 801296 VLHRZPMYPJFFDP-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA CCOc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)cc1 1133138 UNMJZGJRQXNVEY-UHFFFAOYSA-N 369.461 4.553 0 50 FJAA CSc1nc(C)cc(SCCOc2ccc(Cl)cc2Cl)n1 2846150 VLQJNFJNDARKRZ-UHFFFAOYSA-N 361.319 4.985 0 50 FJAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCC4)c3C)C2)cc1 4911546 SIXLEKQCRLZWIX-KRWDZBQOSA-N 365.473 4.898 0 50 FJAA CC(=O)c1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cs1 11956636 VBTRCPADIDDPCZ-INIZCTEOSA-N 361.894 4.699 0 50 FJAA Cc1cccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c1 14965828 FUDOBMHEQXRAAW-UHFFFAOYSA-N 351.471 4.824 0 50 FJAA Cc1ccc(N[C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1C 15074358 CXINDQBHBZLVEM-IBGZPJMESA-N 366.534 4.627 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nn1 72117291 UDSPMJAKEHOJAN-UHFFFAOYSA-N 354.797 4.875 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCC(c4ccncc4)CC3)c2c1 95358884 ODCAILHBBGIIRX-UHFFFAOYSA-N 359.473 4.575 0 50 FJAA O=C(Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 96934960 MQMGZFRIEZRHHJ-UHFFFAOYSA-N 354.409 4.511 0 50 FJAA CCc1ccc2[nH]c(C)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(=O)c2c1 138773811 NEAZAMGOLAETDW-HXOBKFHXSA-N 352.522 4.800 0 50 FJAA Cc1nc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2s1 170610190 FOIUCBKHGIQWRM-UHFFFAOYSA-N 371.771 4.924 0 50 FJAA O=C(c1cncc(N[C@@H](c2cccs2)C2CCCCC2)n1)N1CCCC1 1704357826 XPHGOUTWSSLOSV-LJQANCHMSA-N 370.522 4.508 0 50 FJAA CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CCCC34CCOCC4)sc2C1 1875357821 YCCPHUXKEVWOPC-GJZGRUSLSA-N 362.539 4.584 0 50 FJAA CNC(=O)c1ccc(CN(C)[C@@H](c2ccccc2)c2ccccc2C)cc1 2325721886 JVKLJEWOGUSCMG-QHCPKHFHSA-N 358.485 4.576 0 50 FJAA C(=C1\CCOc2ccccc21)\c1nc(-c2ccc(CN3CCCC3)cc2)no1 2325733488 GUEOHZVGUDXSSM-XDJHFCHBSA-N 373.456 4.656 0 50 FJAA CC1(C)CCC[C@](C)(NC(=O)c2csc(Cc3cccc(F)c3)n2)C1 2325829686 PSYVVNYQSSUUIQ-FQEVSTJZSA-N 360.498 4.962 0 50 FJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 1080599 IIGUBCSMYHCTFE-HNNXBMFYSA-N 369.436 4.864 0 50 FJAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 1178475 KJXFAFZWIAHDKI-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 2789276 WAYCWJWMTLDOOS-DYESRHJHSA-N 355.478 4.737 0 50 FJAA COc1ccccc1OCCOc1ccc(Cl)cc1Br 2983843 OTWSPSQPOLCARE-UHFFFAOYSA-N 357.631 4.569 0 50 FJAA CCOc1ccccc1OCCOCCOc1cc(Cl)ccc1Cl 2985205 UBPPZZXYCVIFHU-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA CCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 3959407 HUSWYGBLYHPYHT-UHFFFAOYSA-N 352.217 4.813 0 50 FJAA Cc1oc(-c2ccsc2)nc1CN1CCC([C@@H](O)c2cccs2)CC1 12472912 NNNSBCXAYMNYKU-GOSISDBHSA-N 374.531 4.719 0 50 FJAA O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC(c2ccc(F)cc2)=NO1 20614154 BLLGWWUIFDMAOX-NRFANRHFSA-N 360.388 4.624 0 50 FJAA N[C@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 33414785 DMXMANDNPIEVFL-FQEVSTJZSA-N 353.358 4.865 0 50 FJAA Cc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3F)C2)o1 43022893 YKPZTRJOKPVQJQ-CQSZACIVSA-N 357.404 4.636 0 50 FJAA CC(C)Oc1ccc(COc2ccc(C[C@@H](C)C(=O)O)cc2Cl)cc1 45068581 NITWBBQHZOWOKQ-CQSZACIVSA-N 362.853 4.969 0 50 FJAA CC(C)c1c(-c2ccccc2)ncn1[C@@H]1CCCN(C(=O)c2ccco2)C1 65382712 CGKJXFQLXJJPLO-GOSISDBHSA-N 363.461 4.744 0 50 FJAA Cc1cccc2[nH]c(CCNC(=O)[C@@H](c3ccccc3)C3CCCC3)nc12 215558300 LXLUBYHPCQSNKA-NRFANRHFSA-N 361.489 4.504 0 50 FJAA O=S(=O)(c1ccc(F)cc1)c1cnc2cc(Cl)c(F)cc2c1Cl 263615703 DSIAHVMXINSBLT-UHFFFAOYSA-N 374.195 4.653 0 50 FJAA Cc1c(Cl)cc(NC(=O)N2CCCC[C@H]2c2ccnn2C)cc1Cl 408419544 LQJZSNKABRBBNX-INIZCTEOSA-N 367.280 4.794 0 50 FJAA CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@H]2CCCCO2)o1 823709339 ZGZGUJCSVJFLFK-HXUWFJFHSA-N 351.450 4.543 0 50 FJAA N[C@@H](N=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1501022741 QGGHVZQODZXLRK-NRFANRHFSA-N 373.412 4.771 0 50 FJAA CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 680959 VBAAXISYEBCXBU-UHFFFAOYSA-N 369.273 4.519 0 50 FJAA CSc1ccc(-c2nn(-c3ccc(Br)cc3)cc2C=O)cc1 732200 KNLLOJGNLKHLAV-UHFFFAOYSA-N 373.275 4.836 0 50 FJAA CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 936487 LZULHUZNUMZEQC-UHFFFAOYSA-N 370.729 4.990 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1cccc2ccccc12 1183969 INQJMQUOMSUBFL-UHFFFAOYSA-N 356.219 4.863 0 50 FJAA COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1 2496460 XYGOZVMGHIJCRX-UHFFFAOYSA-N 359.351 4.783 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(F)c(F)c3)cc12 3241557 BNKYCJAXRQQGSJ-UHFFFAOYSA-N 369.396 4.926 0 50 FJAA CCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3C)s2)cc1 9137707 ODRWXJWKNVESIX-UHFFFAOYSA-N 368.462 4.946 0 50 FJAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 14257066 HRWLCFHZQHJKET-LBPRGKRZSA-N 353.871 4.663 0 50 FJAA CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCCNc1cccnc1 65455766 UKIDROHDVUBUHZ-QGZVFWFLSA-N 366.534 4.741 0 50 FJAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 91644886 IZDPUTLSGXDQAR-GOSISDBHSA-N 365.477 4.604 0 50 FJAA O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCn1ccnc1 92037980 WLTRUWMSFSYZNS-FQEVSTJZSA-N 359.473 4.635 0 50 FJAA CC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)CC1 150928299 RPBCKYNWGSFTBU-UHFFFAOYSA-N 368.864 4.558 0 50 FJAA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 758204 XFPUYJPQKQNLPJ-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(-c3ccco3)nnc2s1 2861282 KRRUKIWKEPVZLQ-UHFFFAOYSA-N 366.377 4.820 0 50 FJAA CCCC(=O)Nc1ccccc1NC(=O)COc1cccc2ccccc12 2862914 HYJFIUAOVDOOJL-UHFFFAOYSA-N 362.429 4.596 0 50 FJAA Cc1ccc(-n2c(S)nnc2CSCc2ccccc2C)c(C)c1 6400410 VUQVPIAYEQIHBX-UHFFFAOYSA-N 355.532 4.915 0 50 FJAA COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccncc1 12448870 CVJMXAMSSQOYHZ-XMMPIXPASA-N 369.468 4.719 0 50 FJAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)cc1 72473925 VQOWCTSNWPBZCF-GOSISDBHSA-N 371.908 4.673 0 50 FJAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 91987015 BQIDLWVZFIRHRD-UHFFFAOYSA-N 365.399 4.503 0 50 FJAA CC(C)c1cnc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)s1 172676546 XOXKQYQZYQQLMG-UHFFFAOYSA-N 364.898 4.607 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(O)cc2)cc1 245237969 ACVVAKLXFYUMRB-GMAHTHKFSA-N 356.425 4.943 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c(Br)n1 755848214 LAGHUMRMCRUEQZ-INIZCTEOSA-N 373.294 4.562 0 50 FJAA c1cnc2ccc(-c3nccn3CC[C@@H]3CCCN4CCCC[C@H]34)cc2c1 1857692467 GAKTVGBCZCOUAK-PGRDOPGGSA-N 360.505 4.753 0 50 FJAA CCC(CC)c1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 937337 OAIOTIKLMPNSQO-NSHDSACASA-N 367.902 4.810 0 50 FJAA COc1ccc(CCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 997108 TUSGNJTUSYWXLY-UHFFFAOYSA-N 373.496 4.966 0 50 FJAA Cc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O 1153530 LTBJBORRPGJKBC-UHFFFAOYSA-N 358.393 4.825 0 50 FJAA Cc1sc(-c2cccnc2)nc1OC(=O)c1cccc(C(F)(F)F)c1 3116632 NQJUSLZHIJYZPH-UHFFFAOYSA-N 364.348 4.752 0 50 FJAA CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 4825922 IVLSUUMXNMYYDB-UHFFFAOYSA-N 365.260 4.632 0 50 FJAA Cc1c(Cl)ccc2c(C(=O)Nc3ccncc3)cc(-c3cccnc3)nc12 6527114 WAZZTEJHPYFWCR-UHFFFAOYSA-N 374.831 4.906 0 50 FJAA O=C(C1CCCCC1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 7720705 QPYZYRYGKUXVCF-UHFFFAOYSA-N 367.493 4.978 0 50 FJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(CCO)C(C)C 12315418 CHVWMSPMCIIYOG-UHFFFAOYSA-N 350.462 4.520 0 50 FJAA COc1ccc(C(NC(=O)/C=C\c2ccccc2)c2ccc(OC)cc2)cc1 15745788 JQYOBZQUQVIJSD-IUXPMGMMSA-N 373.452 4.623 0 50 FJAA Cc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)o1 42489184 DZATZISBWCXQTK-CQSZACIVSA-N 357.404 4.636 0 50 FJAA CCCOc1ccc(-c2c(C)n(O)c(C)c(-c3ccc(F)cc3)[n+]2=O)cc1 136894923 HGDSFCVARYUIOE-UHFFFAOYSA-N 369.416 4.519 0 50 FJAA COc1ccc(F)cc1[C@H](C)Nc1cc(-c2nc(C(C)C)no2)ccn1 174689948 VSMCLBBFXFZCKX-LBPRGKRZSA-N 356.401 4.576 0 50 FJAA Cc1cccc2oc(CCNC(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)nc12 225426648 ZQFMUSJRLAQNRQ-QLOAFGCXSA-N 366.505 4.792 0 50 FJAA Cc1cccn2cc(-c3ccc(N[C@H](C)c4cc5n(n4)CCC5)cc3)nc12 414117514 ZSURPUOUIJQPTK-MRXNPFEDSA-N 357.461 4.626 0 50 FJAA O=C(O)C(F)(F)[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)c2ccccc2)C1 902149755 OEQQJJCKCMFOCG-VAMGGRTRSA-N 373.443 4.839 0 50 FJAA CC[C@@H](NC(=O)c1snc2ccccc12)c1nc(C(F)(F)F)cs1 1875320922 NMENUPFMRKHHDR-SECBINFHSA-N 371.409 4.653 0 50 FJAA COc1cccc(C2(C(=O)NC[C@H](C)c3ccc(F)c(F)c3)CCCC2)c1 2325737789 ZPRKSIAEOQTGAK-HNNXBMFYSA-N 373.443 4.705 0 50 FJAA Cc1ccc(NC(=O)NC2CCCCC2)cc1NC(=O)NC1CCCCC1 640606 HPXDPGYXBPZJPD-UHFFFAOYSA-N 372.513 4.903 0 50 FJAA O=C1N[C@@H](c2ccc(Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1 662894 PVWFEUGIAVRVBK-AWEZNQCLSA-N 373.890 4.776 0 50 FJAA COc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 666547 MRBXGCKSWCHGMQ-UHFFFAOYSA-N 372.218 4.970 0 50 FJAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccccc2)cc1 676388 SLDFPSZQOVAAET-UHFFFAOYSA-N 362.454 4.535 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 970901 XIVZOFRXHDVWHX-UHFFFAOYSA-N 361.441 4.900 0 50 FJAA O=C(Nc1nnc(C2CC2)s1)[C@@H](Sc1ccccc1)c1ccccc1 1053467 VSDGQFVFXGYEBG-INIZCTEOSA-N 367.499 4.888 0 50 FJAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)CSc2ccccc2)c1 2881013 FEZHCCVBUIRPCK-UHFFFAOYSA-N 366.442 4.571 0 50 FJAA CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 3907707 XGGDHXKWOWTYTM-CQSZACIVSA-N 363.255 4.509 0 50 FJAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 4910528 SUYOCNKMNGBJTL-ZDUSSCGKSA-N 359.853 4.710 0 50 FJAA O=C(c1ccco1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 5042942 ADTFECBIJLPTKY-OUNRHQKTSA-N 362.385 4.902 0 50 FJAA Cc1nc2ccc(Br)cc2c(O)c1CN(C)Cc1ccccc1 8714166 ZWQNWZNRNIVMTD-UHFFFAOYSA-N 371.278 4.643 0 50 FJAA Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)n1 11667974 DESFKVDNHFKWMY-HXUWFJFHSA-N 370.496 4.737 0 50 FJAA CC(C)NC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 11842891 XJPVBBJBVJCUHK-GOSISDBHSA-N 368.452 4.505 0 50 FJAA OCC1(Cc2ccccc2Cl)CCN(C2C3CC4CC(C3)CC2C4)CC1 12591379 UYGHZEFTLUIUSA-UHFFFAOYSA-N 373.968 4.782 0 50 FJAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 91493410 DFLQBSQYHPJOGB-ZDUSSCGKSA-N 367.415 4.611 0 50 FJAA Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 100716664 OMWCQWMAEKXCGZ-MRXNPFEDSA-N 361.207 4.780 0 50 FJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1c[nH]nc1-c1ccccc1 179346763 PZAWLRKKYSAKLR-UHFFFAOYSA-N 372.432 4.523 0 50 FJAA C[C@@H](Nc1nc(C(F)F)nc2ccccc12)[C@H](c1ccccc1)N(C)C 225532902 GWRUGJNTCLOKQC-CXAGYDPISA-N 356.420 4.671 0 50 FJAA C[C@@H](c1ccccc1)n1cnn(CN(C)[C@H](C)c2cccs2)c1=S 229547407 FTNDAGQIEVLRBK-LSDHHAIUSA-N 358.536 4.735 0 50 FJAA COc1ccc(F)c(C(=O)Nc2nc(-c3ccccc3C)cs2)c1OC 252490719 KZOFTDLEXADSQI-UHFFFAOYSA-N 372.421 4.527 0 50 FJAA Cn1cc(CCC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc21 253397996 BUVFZHMONHOZTG-OAQYLSRUSA-N 371.484 4.786 0 50 FJAA biogenic CCSc1ccc(NC(=O)N(CCOC)Cc2cccs2)cc1 299799685 XRFIDILFSMFGCG-UHFFFAOYSA-N 350.509 4.541 0 50 FJAA CC(C)[C@H](Nc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccccc1 1472644400 DEKFLAHPSMBSSN-FQEVSTJZSA-N 361.424 4.740 0 50 FJAA CC(C)c1ccccc1NC(=O)c1ccc(I)cc1 723583 CTGQXYNKKMCUMX-UHFFFAOYSA-N 365.214 4.667 0 50 FJAA O=C(O)c1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 781890 SBOSHHPCNRHJLS-UHFFFAOYSA-N 356.472 4.561 0 50 FJAA O=C(C[C@@H](c1ccccc1)c1ccccc1O)NCc1ccccc1Cl 1178799 ILGDTSKVMUJXEP-IBGZPJMESA-N 365.860 4.884 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(F)cc1 1180639 GXRGDEDRYFNBBZ-KRXBUXKQSA-N 369.248 4.659 0 50 FJAA CCOc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2C)cc1 1186808 PURPLYVDJRZHPZ-UHFFFAOYSA-N 368.458 4.778 0 50 FJAA Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Br)cc1 1187335 AGXIUYULPCXLAH-UHFFFAOYSA-N 374.263 4.528 0 50 FJAA CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2Cl)c1C(=O)OC 1200480 FWZOCHHSUQTYJD-UHFFFAOYSA-N 372.273 4.965 0 50 FJAA CCOc1cccc(OCCOc2ccc(C(=O)c3ccccc3)cc2)c1 2983849 FBHIVHNFNSLKBD-UHFFFAOYSA-N 362.425 4.774 0 50 FJAA COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccncc1 6126316 NOCVHDXZQANMBH-UHFFFAOYSA-N 372.833 4.502 0 50 FJAA CCOC(=O)c1c(COc2ccc(C)cc2)nc2c3ccccc3ccn12 6668441 RAOFQDHSSBMLMI-UHFFFAOYSA-N 360.413 4.552 0 50 FJAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC2CCSCC2)cc1 11999109 CDDHIDRRFKQKOI-LJQANCHMSA-N 355.551 4.679 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cccc2cnccc12 12313989 GCVZUSNBKMBZMD-OAQYLSRUSA-N 372.447 4.727 0 50 FJAA O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1c1ccccc1 13563615 XDJCCIVUAKDYPN-GXDHUFHOSA-N 360.232 4.690 0 50 FJAA CCN(CC)Cc1ccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)cc1 48139981 SFHJPJABUHPEHO-UHFFFAOYSA-N 367.880 4.599 0 50 FJAA C[C@@H](OC(=O)c1ccc(SCc2cccnc2)cc1)c1nccs1 130874447 SQTDVQXGAPVHRS-CYBMUJFWSA-N 356.472 4.748 0 50 FJAA CC1(C)CN(C(=O)CCc2c[nH]c3ccccc23)CC[C@H]1C(F)(F)F 241588438 PDDQLSMSAOUFSX-MRXNPFEDSA-N 352.400 4.538 0 50 FJAA CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1 241590479 PFFCNQUEFAYNEX-CQSZACIVSA-N 358.404 5.059 0 50 FJAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 329401417 YBOVWNXTANFMQD-KZNAEPCWSA-N 365.477 4.617 0 50 FJAA COc1ccc(Cc2noc(C3(Cc4cccc(Cl)c4)CC3)n2)cc1 904391447 RDZAQKSCFDWEBU-UHFFFAOYSA-N 354.837 4.597 0 50 FJAA COc1cc(NCc2c(F)cccc2N2CCCC2)cc(OC(C)C)c1 1875341862 LLKABYBDJJIYIH-UHFFFAOYSA-N 358.457 4.834 0 50 FJAA CCOC(=O)c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 636756 PXSFVEUFPLJBJR-UHFFFAOYSA-N 373.452 4.901 0 50 FJAA CC(C)NCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 708907 AXCMGLTVOJMROH-UHFFFAOYSA-N 352.869 4.607 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1 1123125 IJHUJULFJOZUOX-UHFFFAOYSA-N 353.443 4.897 0 50 FJAA CCOc1c(Cl)cc(CNCCc2c[nH]c3ccccc23)cc1OC 2181872 HVJXSDHSSDGTJB-UHFFFAOYSA-N 358.869 4.561 0 50 FJAA CC(C)Cc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 2830446 NUFGNFSZYVKAJF-NBVRZTHBSA-N 363.486 4.916 0 50 FJAA Cc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1C 2999913 FMQXDKWDBYWALG-XMMPIXPASA-N 373.496 4.825 0 50 FJAA O[C@H](CN1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4159668 VXMFEHUNDKFMOF-OAHLLOKOSA-N 363.288 4.558 0 50 FJAA O=C(c1c(O)nnc(-c2ccccc2)c1-c1ccccc1)N1CCCCCC1 8844294 BLHXDEPGYTYVAU-UHFFFAOYSA-N 373.456 4.532 0 50 FJAA O=C1CC[C@@H](CCNCc2cccc(C(F)(F)F)c2)N1C1CCCCC1 12034420 IKHUMNJVPYDCOH-SFHVURJKSA-N 368.443 4.509 0 50 FJAA COc1ccc(CN2CCN(c3cccc(C)c3C)CC2)c2ccccc12 19632647 SLRWMVRDUGJNCR-UHFFFAOYSA-N 360.501 4.787 0 50 FJAA CC[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27645279 FFXKPSNQCPNORO-MWEXLPNRSA-N 362.510 4.715 0 50 FJAA endogenous,in-man CC[C@@]1(CO)CCCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)C1 96163160 XKGQRJFSCNJJNI-OAQYLSRUSA-N 372.440 4.634 0 50 FJAA CCCOc1ccc([C@H](C)NC(=O)C2(SC)CCC2)cc1OCCC 170615740 MOKVAOKYJUQKDQ-HNNXBMFYSA-N 365.539 4.727 0 50 FJAA Cc1sc2nc(-c3nc4ccccc4o3)[nH]c(=O)c2c1-c1ccccc1 225517953 NXVYXCSTQQGEOS-UHFFFAOYSA-N 359.410 4.768 0 50 FJAA O=C(NCc1ccc(F)cc1)NC1(c2cccc(C(F)(F)F)c2)CCC1 465447080 NRLSSXGHFFYGBD-UHFFFAOYSA-N 366.358 4.723 0 50 FJAA O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2ccccc2c1 726730 DALXNZKEZFKQGA-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cn3)o2)cc1 998848 VXPNLKWYIGPBGT-UHFFFAOYSA-N 372.808 4.558 0 50 FJAA Cc1cccc2sc(NC(=O)COc3cc(Cl)ccc3Cl)nc12 1002406 ARZQCMGCFKWWOB-UHFFFAOYSA-N 367.257 4.929 0 50 FJAA COc1ccc(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)cc1OC 1063086 NXCKFIUEBHNPID-UHFFFAOYSA-N 366.413 4.822 0 50 FJAA biogenic O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1 1135078 AXRIVEJMYOFJKU-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA O=C(Nc1ccccc1)Nc1nnc(SCc2ccccc2F)s1 1215350 ZBEPACCHXONINF-UHFFFAOYSA-N 360.439 4.614 0 50 FJAA OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1 2564899 LNUDNNFEXRHHGY-DEOSSOPVSA-N 353.465 4.981 0 50 FJAA CCOc1cc(C=O)cc(Br)c1OCc1cccc(Cl)c1 4342700 QPVUTZBRAILRKU-UHFFFAOYSA-N 369.642 4.893 0 50 FJAA CCN(Cc1ccncc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 6699194 HCLONBOSCFBXQV-OAQYLSRUSA-N 362.498 4.964 0 50 FJAA Cc1ccc2[nH]c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nc2c1 6813340 PCIIRKJNOBZGIB-UHFFFAOYSA-N 366.273 4.909 0 50 FJAA Cc1cc(C)c2c(N)c(-c3cc(=O)oc4cc5c(cc34)CCC5)sc2n1 11865318 JSHOZKLRYSTPDQ-UHFFFAOYSA-N 362.454 4.757 0 50 FJAA biogenic COc1cccc([C@H](C)NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 13328807 HUVBBMXTWNYRJJ-LBPRGKRZSA-N 370.836 4.803 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCCC[C@H]3C)c12 13641993 GQSFFHHQOKRSHW-RISCZKNCSA-N 355.463 4.568 0 50 FJAA CCCn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21 20605874 HHPSSQFZCNHHRA-UHFFFAOYSA-N 361.392 4.772 0 50 FJAA c1ccc(Oc2cccc(OCCCCCCN3CCOCC3)c2)cc1 21540280 KWLWHIPTLVHSRY-UHFFFAOYSA-N 355.478 4.750 0 50 FJAA Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 243833769 RAHHFWDWMDFKES-UHFFFAOYSA-N 350.654 4.756 0 50 FJAA Cc1nc(-c2ccc(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cs1 248023798 JUQDWKVVJGBERT-JXIYXGQPSA-N 354.519 4.602 0 50 FJAA CN(Cc1ccc(Cl)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 252510610 ARARJJISSMNJMD-UKRRQHHQSA-N 362.709 4.798 0 50 FJAA CC(=O)O[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@]1(C)C3 504787696 CSADACRWWVVNQF-OHMDIQLPSA-N 362.510 4.806 0 50 FJAA biogenic CCCn1c(C)nc2cc(NC(=O)c3ccc([C@H]4CCCO4)s3)ccc21 952983322 UBMYOCLDNRVQFK-QGZVFWFLSA-N 369.490 4.920 0 50 FJAA CC1(CNC(=O)COc2ccc3ccccc3c2)C2CC3CC(C2)CC1C3 1156814 CPZMQDBYVBEDGE-UHFFFAOYSA-N 363.501 4.797 0 50 FJAA CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 1175115 VDOHPCAQFNNDNS-SIKLNZKXSA-N 360.413 4.921 0 50 FJAA COc1ccc(-c2nc3cc(NC(=O)c4cccc(OC)c4)ccc3o2)cc1 1208503 UIMIKAMLPAXJFZ-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)cc(OC)c1OC 4784310 MKYPUXHLVJDKEN-XUWXXGDYSA-N 360.475 4.920 0 50 FJAA O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3 28603970 DIEPFYNZGUUVHD-UHFFFAOYSA-N 367.832 4.762 0 50 FJAA investigational CC(C)c1ccc(NCc2cccnc2Oc2ccc(F)c(F)c2)nn1 67432621 RJDROIKZVQWANQ-UHFFFAOYSA-N 356.376 4.678 0 50 FJAA Fc1cc(Oc2ccc(C(F)(F)F)cn2)cc(F)c1CN1CCCC1 67713953 FVALTABFBIHJCU-UHFFFAOYSA-N 358.310 4.767 0 50 FJAA O=C(c1cccc2cccnc12)N1CCCC[C@H]1CCc1cccs1 82139052 MTSSRAAVYJHVJP-KRWDZBQOSA-N 350.487 4.924 0 50 FJAA O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCO[C@H]1c1ccccc1 170591287 GULXEYVMEVZLMY-GUYCJALGSA-N 366.244 4.805 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 239403099 RMPDWYSTALCBRQ-GMAHTHKFSA-N 374.415 5.077 0 50 FJAA Cc1nc([C@@H](C)N(C)C(=O)Nc2ccc3nc(C)sc3c2)c(C)s1 299777562 QQIBHXDUXSEFPW-SECBINFHSA-N 360.508 4.903 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)C1 299796637 PSWSRAZCYYJWHJ-RJRNSMGGSA-N 365.477 4.675 0 50 FJAA COc1ccc(F)cc1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 426684472 MTCFXCZYRUECTC-IBGZPJMESA-N 371.452 4.533 0 50 FJAA O=C(CN1CC[C@@H]2CCCC[C@H]21)Nc1ccccc1Oc1ccccc1 1875258200 PPUHJILOGWNGTL-FXAWDEMLSA-N 350.462 4.682 0 50 FJAA CCNC(=O)Cc1ccc(N[C@H]2CCCOc3c(C)cc(Cl)cc32)cc1 2325726202 UWMQZOAYIKBDJQ-IBGZPJMESA-N 372.896 4.653 0 50 FJAA C[C@@H](Cn1cccn1)C(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 622372 GSWCBEDOIASOGB-HNNXBMFYSA-N 354.837 4.635 0 50 FJAA Cc1sc2nc(C)n(-n3cccc3)c(=O)c2c1-c1ccc(Cl)cc1 947684 NXPUJSLORSGUGK-UHFFFAOYSA-N 355.850 4.508 0 50 FJAA COc1ccc(CCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 1176497 IQZFXAIBKNJKTM-UHFFFAOYSA-N 351.368 4.984 0 50 FJAA Cc1cccc(N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)c1 1232923 FYLMRAZPGSTWDB-INIZCTEOSA-N 371.695 4.842 0 50 FJAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 2846387 CBELJJCJXZDQAR-UHFFFAOYSA-N 363.788 4.776 0 50 FJAA CCOC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 2996790 GFESDXHTVQPJDP-UHFFFAOYSA-N 374.440 4.543 0 50 FJAA COc1ccc(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 3567051 JIWWBMGKTVYFKC-UHFFFAOYSA-N 361.397 4.784 0 50 FJAA biogenic COc1cc2c(cc1NC(=O)COc1ccccc1C)oc1ccccc12 3611990 VZPLETPSQANSLZ-UHFFFAOYSA-N 361.397 4.921 0 50 FJAA O=C(Nc1ccc(N2CCCCC2)cc1N1CCCCC1)c1ccccc1 4998897 ZUAZAPODUPJUQL-UHFFFAOYSA-N 363.505 4.920 0 50 FJAA O=C(c1ccco1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 5042939 ADTFECBIJLPTKY-AKUXXTROSA-N 362.385 4.902 0 50 FJAA CN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCCC1 11257436 VDSPCMBXMABSJW-UHFFFAOYSA-N 361.445 4.808 0 50 FJAA Cc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc(C(F)F)c(Cl)c1C 13960122 XTTLEPRGBAGKHJ-UHFFFAOYSA-N 371.815 4.559 0 50 FJAA CC(C)c1nc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)cs1 32503294 YQAQAPAQYQIKKP-UHFFFAOYSA-N 367.499 4.753 0 50 FJAA CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C)c(C)c1 44856501 ZVRMCQWATNHWSF-QHCPKHFHSA-N 364.533 4.783 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 44934949 FKEUHHVJLNAPRA-GOSISDBHSA-N 368.496 4.532 0 50 FJAA CN(C[C@H]1CCCO1)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72426413 YKSHTMVQBKYADU-MRXNPFEDSA-N 368.864 4.739 0 50 FJAA C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccn(C3CCCC3)n2)C2CC2)o1 130619509 XRCVGPXJAATXFB-KSSFIOAISA-N 353.466 4.519 0 50 FJAA Cc1ccc(CNCc2ccc([S@@](C)=O)cc2)c(Oc2ccccc2)c1 153105446 OBGBPVCUWTUPDO-SANMLTNESA-N 365.498 4.815 0 50 FJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](C(=O)O)[C@@]4(C)CC[C@H]32)C1 253615025 SCNWNOJSZNDWCA-WEIVUDDTSA-N 362.510 4.662 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)cc2)o1 952978839 LRFAGLDFXKKDEZ-LJQANCHMSA-N 374.484 4.854 0 50 FJAA O=C(Nc1cnn2cccnc12)N1CCCCC[C@@H]1c1ccc(Cl)cc1 2325818609 MRUMWFONGWMALZ-QGZVFWFLSA-N 369.856 4.532 0 50 FJAA Cc1ccc(S(=O)(=O)[C@@H]2c3ccccc3Oc3ccc(F)cc32)cc1 643745 SBYFDKLOIYBZPL-HXUWFJFHSA-N 354.402 4.803 0 50 FJAA CCc1c(C)sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1C(N)=O 656849 GAILXKVVYGEICX-FMIVXFBMSA-N 370.518 4.667 0 50 FJAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(N)=O)C1 688712 HFYXMMOTJXUTQM-GFCCVEGCSA-N 374.506 4.542 0 50 FJAA COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1NC(=O)C(C)C 1050870 PNDNZIGHIUTRMX-UHFFFAOYSA-N 360.841 4.504 0 50 FJAA CCc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)ccc3n2)cc1 1459184 LKINEENYRRSJLE-LJQANCHMSA-N 374.484 4.681 0 50 FJAA CCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 2665886 GWCOGUNSNISWOG-UHFFFAOYSA-N 356.422 4.990 0 50 FJAA CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1 2991365 YRQGFGSESAKXTM-UHFFFAOYSA-N 356.491 4.609 0 50 FJAA O[C@H](CNC1CCCCC1)CN1c2ccccc2Sc2ccccc21 3904546 DPRQBLSBVNUDDL-QGZVFWFLSA-N 354.519 4.573 0 50 FJAA O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 5090845 GBABKDLBZYHJLG-IBGZPJMESA-N 350.805 4.817 0 50 FJAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 10275804 RCORNVHIKDBFNX-HNNXBMFYSA-N 366.244 4.804 0 50 FJAA Cc1nn2c(ncc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccccc1 40396243 KPCUDRVBNXOZPY-UHFFFAOYSA-N 358.445 4.525 0 50 FJAA CCN(C(=O)c1cc(-c2cnn(CC)c2)nc2c(C)c(C)ccc12)C(C)C 63847740 CPSQMUFUABZEMW-UHFFFAOYSA-N 364.493 4.606 0 50 FJAA C[C@H]1CC(C)(C)c2c(F)ccc(NC(=O)c3cn(C)nc3C(F)F)c21 141887498 XCGBHLLWJZOLEM-VIFPVBQESA-N 351.372 4.534 0 50 FJAA O=C(Cc1ccc2n[nH]cc2c1)N1CC=C(c2cccc3ccccc23)CC1 475379919 DBZMDFDMJRATHK-UHFFFAOYSA-N 367.452 4.575 0 50 FJAA Fc1cccc(F)c1Sc1nc2cc(Br)cnc2s1 1875328654 FSUMKZDYRAKQPO-UHFFFAOYSA-N 359.220 4.883 0 50 FJAA Cc1cc(C)n2c(SCc3cccc(Oc4ccccc4)c3)nnc2n1 852211 HLYHHEHSAZJRLW-UHFFFAOYSA-N 362.458 4.826 0 50 FJAA CCOC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 947595 UVPORWBRSBFWIW-UHFFFAOYSA-N 370.412 4.612 0 50 FJAA O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 1060515 OIJJTXLXAZRTMA-UHFFFAOYSA-N 350.654 4.589 0 50 FJAA C[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1ccccc1O 1175209 CFWPSADUAIPBNB-AVRDEDQJSA-N 359.469 4.662 0 50 FJAA Cc1ccc(SCC(=O)c2cc(C)c(OC(=S)N(C)C)c(C)c2)cc1 1400646 AHQVFZJRJUXVIC-UHFFFAOYSA-N 373.543 4.812 0 50 FJAA Cc1ccc(SCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 2334616 FUWMLUQGQCPWEZ-UHFFFAOYSA-N 374.466 4.922 0 50 FJAA CC(C)[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 4853992 WBRDMBKUNJDWNH-HKUYNNGSSA-N 371.278 4.975 0 50 FJAA CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 12138242 DOXVWRVSGUADGC-UHFFFAOYSA-N 358.869 4.855 0 50 FJAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3F)c2C)c1 13331474 IDGCYHBAAIVWAZ-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA COc1cc(-c2cccnc2)cc2c1OCCN(C[C@@H](C)c1ccccc1)C2 19743675 RJYYCBPSIMPVFO-GOSISDBHSA-N 374.484 4.755 0 50 FJAA COC[C@H]1CCN(C2CCN(c3cccc(-c4ccc(C)cc4)c3)CC2)C1 23379771 GHRGNTGXQQNEJW-FQEVSTJZSA-N 364.533 4.599 0 50 FJAA COc1ccc(Nc2ncc(CN[C@H]3CCc4ccccc43)s2)cc1 23429535 MFBVMEIYOQAHNR-IBGZPJMESA-N 351.475 4.672 0 50 FJAA CC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1sc2ccccc2c1C 65408719 SEBOQXSQVRFOLW-MRXNPFEDSA-N 350.443 4.642 0 50 FJAA CCOc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)c(F)c1 96180798 FROMBZJJBYOASE-SNVBAGLBSA-N 351.447 4.523 0 50 FJAA CC(C)N(C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)OCCCO2 154882279 NUTUOJFATARWAF-GOSISDBHSA-N 368.521 4.539 0 50 FJAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 169405446 WDEOECIQYPNENG-OALUTQOASA-N 351.446 4.663 0 50 FJAA O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC2(CCc3ccccc32)CC1 952972281 WUOBHDSQCFQTSV-SFHVURJKSA-N 367.514 4.720 0 50 FJAA O=C(CCc1ccccc1)Nc1ccccc1NC(=O)CCc1ccccc1 672066 UPENFLYXLLQPGS-UHFFFAOYSA-N 372.468 4.829 0 50 FJAA CCOc1ccccc1NC(=O)CSc1cc(C)c2cccc(C)c2n1 1052466 SLRBBSVIKFAPGL-UHFFFAOYSA-N 366.486 4.981 0 50 FJAA O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(OCc2ccccc2)c1 1141407 VZHLNEVHVNLTNU-UHFFFAOYSA-N 361.485 4.820 0 50 FJAA COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(O)c1ccccc12 2195161 YLUPCURBEYJRNG-UHFFFAOYSA-N 361.397 4.593 0 50 FJAA O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[C@@H]1c1ccccc1 2739123 IQVVOUAPHKYSMH-OLZOCXBDSA-N 373.275 4.801 0 50 FJAA Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 2846348 PCLPBFNDVLBTBB-SNVBAGLBSA-N 356.278 4.520 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1C 2982339 OOPNOYMUGQMGMV-UHFFFAOYSA-N 360.482 4.682 0 50 FJAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C(=O)O 4819502 QHIBJPXOWNXEQL-GFCCVEGCSA-N 361.825 4.569 0 50 FJAA Cc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2c1 9357566 QTLJJBIHTFGZEU-UHFFFAOYSA-N 365.380 4.621 0 50 FJAA COc1ccc(-c2noc(CSc3nc4ccc(Cl)cc4o3)n2)cc1 9927220 KZIICNMXUOHEPB-UHFFFAOYSA-N 373.821 4.832 0 50 FJAA FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 66138931 FHPOTBQOUBMMCI-UHFFFAOYSA-N 350.604 4.969 0 50 FJAA in-vitro Cc1cc(N2CCC[C@@](CO)(Cc3ccccc3F)C2)nc2ccccc12 67909042 KWLWKVBSABJJQM-HSZRJFAPSA-N 364.464 4.504 0 50 FJAA c1ccc2sc([C@@H]3CCCN3Cc3cncn3C3CCCC3)nc2c1 72146056 FUCZTQDFNIKTHX-SFHVURJKSA-N 352.507 4.945 0 50 FJAA CCCc1nc(C(=O)N(C)Cc2csc(-c3cccs3)n2)cs1 72419890 KCPVKIDQNPDVEM-UHFFFAOYSA-N 363.533 4.553 0 50 FJAA O=c1cc(C(F)(F)F)[nH]c(CSCc2ccc(Cl)cc2Cl)n1 170618716 WILDOURJNVFLNU-UHFFFAOYSA-N 369.195 4.529 0 50 FJAA 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 239297281 DXVUAPWZLBEGEU-SRABZTEZSA-N 362.256 4.641 0 50 FJAA O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252444133 AJNCNBVGZHXQGT-MELADBBJSA-N 353.915 4.840 0 50 FJAA COc1ccc(C2=N[C@H](c3ccccc3OC)N3[C@H]2[C@H]3c2ccccc2)cc1 257349955 SWLHDTSFXKGONJ-KCUYZMIBSA-N 370.452 4.631 0 50 FJAA Cc1c(O)ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1C 1875334268 IGMBTZMCQLJQIX-QHCPKHFHSA-N 357.453 4.797 0 50 FJAA CC(C)C1CCC([C@@](C)(O)CNC(=O)[C@H]2CC=Cc3ccccc32)CC1 2325842015 LVKMDOUBPJLFND-XJPWDFEISA-N 355.522 4.517 0 50 FJAA CCc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 956492 SLYWBCLBTZEGGK-UHFFFAOYSA-N 357.759 4.939 0 50 FJAA Cc1cc2oc(=O)c3c(c2cc1O[C@H](C)C(=O)c1ccccc1)CCCC3 1050222 XEXDMPKHTHUCOC-OAHLLOKOSA-N 362.425 4.630 0 50 FJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)CC2=O 1064159 CNBGURNJHFODHY-MSOLQXFVSA-N 353.434 4.725 0 50 FJAA Cc1cccc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c1C 1071097 LHIPQQQQBDRFDB-UHFFFAOYSA-N 359.473 4.811 0 50 FJAA CC(C)N(C(=O)Cn1c(-c2ccco2)nc2ccccc21)c1ccccc1 1109147 UWPOITPDAWEQPG-UHFFFAOYSA-N 359.429 4.738 0 50 FJAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 1140882 IFUDUQWGDXCBGS-HNNXBMFYSA-N 362.429 4.700 0 50 FJAA COc1ccc(OCCNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1 2810612 JSSTVQBSIVBZCC-CXUHLZMHSA-N 373.452 4.571 0 50 FJAA COc1cccc(OCCCOc2ccc(Cl)cc2Br)c1 2985110 PNCLINFWSPEADQ-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA O[C@@H](CNC1CCCCC1)CN1c2ccccc2Sc2ccccc21 3904548 DPRQBLSBVNUDDL-KRWDZBQOSA-N 354.519 4.573 0 50 FJAA O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccc(F)cc1 4027669 SLONDQIFELWUPB-UHFFFAOYSA-N 374.367 4.861 0 50 FJAA biogenic CC(C)(c1ccccc1)c1ccc(OCCNC(=O)Cc2ccccc2)cc1 4985664 LQVJBMJUKGYYPO-UHFFFAOYSA-N 373.496 4.750 0 50 FJAA Cc1nn2c(-n3ccnc3C)cc(-c3ccccc3)nc2c1-c1ccccc1 5206714 RDIVZXUYZQKGFE-UHFFFAOYSA-N 365.440 4.866 0 50 FJAA OC[C@@]1(CCCc2ccccc2)CCCN(Cc2cccc3ncccc23)C1 11815503 KVYIQCQLBFZGJF-VWLOTQADSA-N 374.528 4.832 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(OC)c1 36621169 HNVAOOHXTQBRNZ-KRWDZBQOSA-N 360.841 4.726 0 50 FJAA CC[C@@H](C)Oc1ccc(CNCc2nnc(-c3ccccc3)o2)cc1Cl 55166320 ZHQGQALBFJCFFS-CQSZACIVSA-N 371.868 4.857 0 50 FJAA CC(=O)N[C@H]1C[C@@H](c2cccc3cnccc23)O[C@@H](C2CCCCC2)C1 65384889 QRAYIXIDVDFNCV-QIJUGHKUSA-N 352.478 4.540 0 50 FJAA Cc1ccc2nc([C@@H]3CCCN3Cc3cc(-c4ccccc4)no3)[nH]c2c1 77503245 MGROQUZCUXKBBW-NRFANRHFSA-N 358.445 4.863 0 50 FJAA CCn1ccnc1[C@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1 91620249 WILMWOHAZLLVSJ-INIZCTEOSA-N 366.534 4.866 0 50 FJAA CCc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)noc2Cl)o1 125127142 DILDKXBIZQWYHA-MRXNPFEDSA-N 364.873 4.868 0 50 FJAA c1ccc(Sc2ccc(CN[C@@H]3CCO[C@]4(CCSC4)C3)cc2)cc1 157717447 AFINDETWDIFVAX-WIYYLYMNSA-N 371.571 4.982 0 50 FJAA Cc1cccc(N2C(=S)N[C@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@H]3C)c1 230078608 ACBUEXNZPIERBZ-WILYLXEWSA-N 358.894 4.829 0 50 FJAA O=C(Nc1cc(F)ccc1OCC1CC1)c1cc(F)cc2cccnc12 241707027 QMBXFEIHEIVZNM-UHFFFAOYSA-N 354.356 4.554 0 50 FJAA CCCc1nc(C)cc(-c2cccc(C(=O)N3CCCCCCC3)c2)n1 426477576 OAXKBDKKWWGIMC-UHFFFAOYSA-N 351.494 4.811 0 50 FJAA 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 1857795498 KHEZIAQMLFFOSK-QAESWPLYSA-N 358.522 4.942 0 50 FJAA C[C@@H](OC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1)c1cncs1 2325715278 DGMQAOIOEXUAMZ-VUDGCMKMSA-N 370.405 4.787 0 50 FJAA OCc1cn(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl 2544979 GPRFJBNYBXTRCC-UHFFFAOYSA-N 353.636 4.992 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)cc1 2748358 LBCCTBXBVDVEAA-UHFFFAOYSA-N 365.260 4.642 0 50 FJAA C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 2762613 GMDABUKKWBOVNT-SNVBAGLBSA-N 358.652 4.731 0 50 FJAA CCOc1ccccc1OCCOCCOc1ccc(C)cc1Cl 2983957 WFWOIQDCLSPVOL-UHFFFAOYSA-N 350.842 4.522 0 50 FJAA Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(C(F)(F)F)cc1 3116625 QTJOEQPXRAJNRX-UHFFFAOYSA-N 364.348 4.752 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccs1 4810732 TUDWFVJDMYFQLB-UHFFFAOYSA-N 362.454 4.593 0 50 FJAA Cc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C1CCCCC1 9028493 GIOHXCDSZRXBKW-UHFFFAOYSA-N 368.506 4.558 0 50 FJAA Fc1ccc([C@@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)cc1F 11789933 LFHNKYOLRZRMGH-KRWDZBQOSA-N 357.429 4.932 0 50 FJAA Cc1ccsc1CN(Cc1ccccn1)Cc1ccnc(C(C)C)n1 55090728 TULHLTODUPJORG-UHFFFAOYSA-N 352.507 4.567 0 50 FJAA FC(F)(F)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 55543574 CKDPAIWXJZDFRF-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA COc1ccc2cc([C@H]3CN(Cc4cc5ccccc5[nH]4)CCO3)ccc2c1 71761557 ZLHLROSXHHHFQA-XMMPIXPASA-N 372.468 4.903 0 50 FJAA C[C@H](OC(=O)CCn1ccc2ccccc21)c1nc2cc(Cl)ccc2[nH]1 170625405 DJYUUBOVKKCCJX-ZDUSSCGKSA-N 367.836 4.866 0 50 FJAA CC(=O)c1ccc(-c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C4)C3)cc2)s1 1565510064 PVMHLOFCKJFNNY-HOTGVXAUSA-N 353.487 4.880 0 50 FJAA Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc(Cl)cc3)nn12 655465 BJBMWRCQMCYTTK-UHFFFAOYSA-N 362.820 4.610 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1 848977 VVGDPABJPFZOJX-UHFFFAOYSA-N 373.456 4.884 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(C(C)C)s1 1113263 AMSYFDFBIFZQBP-UHFFFAOYSA-N 362.842 4.531 0 50 FJAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 1183296 FTRJPJPLWMDJES-LLVKDONJSA-N 362.882 4.686 0 50 FJAA O=Cc1ccc(OCc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)cc1 2871501 JODKZBNFAOVTHR-UHFFFAOYSA-N 366.800 4.951 0 50 FJAA COc1cccc(CNCc2cccnc2)c1OCc1ccccc1Cl 4413515 YKGAHXJHNSYIIS-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA Cc1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c(Cl)c1 9436345 SMPAJGXMMPZXCE-UHFFFAOYSA-N 374.799 4.598 0 50 FJAA COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 42995847 ZYGDKXLRUGCIFO-GOSISDBHSA-N 365.452 4.604 0 50 FJAA Cc1cc(N2CCC[C@](CO)(Cc3ccccc3F)C2)nc2ccccc12 67909040 KWLWKVBSABJJQM-QHCPKHFHSA-N 364.464 4.504 0 50 FJAA COc1ccc(O)cc1CN1CCC[C@H](CCc2c(F)cccc2F)C1 71750575 JFZPWDDRDDXLAX-OAHLLOKOSA-N 361.432 4.524 0 50 FJAA CC(=O)c1ccc(F)cc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72169837 OQIDEQOXNWIDEO-UHFFFAOYSA-N 360.392 4.579 0 50 FJAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc4cccc(C)c4n3C)[nH]c2c1 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368.477 4.785 0 50 FJAA COc1cccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 101082850 VNYBWRMYHKIZDW-KRWDZBQOSA-N 373.243 4.650 0 50 FJAA CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@]1(O)CCC 239415271 UCLGIKKXOIONJU-CJNUZUDLSA-N 351.534 5.656 0 50 FJAA CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2C[C@H]3CCC[C@H](C3)C2)cc1 426494344 IQEDAXRLKBZMLZ-CALCHBBNSA-N 365.448 4.958 0 50 FJAA O=C(Nc1cccc(-c2ccc(O)nn2)c1)c1ccc(-c2ccccc2)s1 2325702289 KRHZWWBURQTIHE-UHFFFAOYSA-N 373.437 4.830 0 50 FJAA Cc1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1Br 1158142 PVNLDFHGYSJKGV-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cc1ccccc1CSCCNC(=O)[C@H](C)SCc1ccccc1 2814667 PJDVRPLCKVCGHS-KRWDZBQOSA-N 359.560 4.666 0 50 FJAA CSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 2884432 AFOPWDBOHJWRJN-UHFFFAOYSA-N 351.924 4.725 0 50 FJAA Cc1nc(-c2ccc(NC(=O)COc3ccc4ccccc4c3)c(C)c2)no1 4742128 VGNKTFQROIEKHL-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA O=C(c1cccc2ccccc12)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 12193136 IZNBFTLAGAWFNC-SFHVURJKSA-N 373.452 4.663 0 50 FJAA COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)N(C)CC2 19608342 XFFOCJFCOTUJID-GOSISDBHSA-N 352.261 4.588 0 50 FJAA COc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N23)cc1OC 25781551 NKJZBGHLJGKNOS-SXPXVAQUSA-N 370.452 4.631 0 50 FJAA CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ncn2C2CC=CC2)cc1 65456127 YEPSHZCPDQIVCE-UHFFFAOYSA-N 364.470 4.512 0 50 FJAA Cc1ccccc1COc1c(Cl)cc(C(=O)O)cc1Br 226340444 CQHBJOLJMJTJRX-UHFFFAOYSA-N 355.615 4.688 0 50 FJAA O=S(=O)(c1ccc(F)cc1)c1cnc2cc(F)c(Cl)cc2c1Cl 232314147 AZIUDCKWINCEHK-UHFFFAOYSA-N 374.195 4.653 0 50 FJAA Cc1cc(=O)nc(-c2ccc(-c3cccc([C@@H](C)N4CCCC4)c3)cc2)[nH]1 534647290 WHUNHARUZCPQMC-QGZVFWFLSA-N 359.473 4.569 0 50 FJAA C[C@H](O)[C@](C)(CN[C@H]1CCC(C)(C)c2ccccc2C1)Cc1ccccc1 1875345101 RZHHKSAWRXQNRL-JTJYXVOQSA-N 365.561 4.889 0 50 FJAA Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1C 991224 DSFQRRFDCGCSST-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA COc1ccc(CN(CC[C@H](c2ccccc2)c2ccco2)C(C)=O)cc1 1132887 FJJONLOZBIHRAL-JOCHJYFZSA-N 363.457 4.859 0 50 FJAA CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1 1141319 NAYIBUCALJXAGU-UHFFFAOYSA-N 366.244 4.945 0 50 FJAA O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1183500 DTZDYDDECANMSH-UHFFFAOYSA-N 350.418 4.620 0 50 FJAA O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[C@H]1c1ccccc1 2739124 IQVVOUAPHKYSMH-STQMWFEESA-N 373.275 4.801 0 50 FJAA Cc1ccc(-c2nnc3sc(-c4cccc(Br)c4)nn23)cc1 2877210 GVAMUHJVDHBYCK-UHFFFAOYSA-N 371.263 4.591 0 50 FJAA O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)cc1Cl 10296529 RZUCWIFZNWVMOP-HNNXBMFYSA-N 366.244 4.804 0 50 FJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(CC(C)C)C2)cc1 11932787 BFNCJFCJEVWVBC-LJQANCHMSA-N 366.505 4.669 0 50 FJAA CCOc1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)ccc1O 11957168 NSKXDJCEPYVQBU-QGZVFWFLSA-N 373.880 4.539 0 50 FJAA CC[C@@H](NC(=O)c1cc(C)nc2onc(C)c12)C12CC3CC(CC(C3)C1)C2 13641924 JPTHYPXUOTXSSP-XCLLZBPDSA-N 367.493 4.564 0 50 FJAA Cc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)c1 20615994 GKTPFTJJELIKBA-UHFFFAOYSA-N 353.369 4.523 0 50 FJAA OCc1ccc(CN2CC[C@@H](c3ccnc(-c4cc5ccccc5o4)c3)C2)o1 65374393 VYJJYBNKAXWMSF-GOSISDBHSA-N 374.440 4.570 0 50 FJAA c1ccc(-c2ncn(Cc3noc(C4CCCC4)n3)c2-c2cccnc2)cc1 65374619 IQGHUHGXGJTOMG-UHFFFAOYSA-N 371.444 4.701 0 50 FJAA CCc1cc(C(=O)NCc2cc(C)cc3c(C)c(-c4ccccc4)[nH]c23)[nH]n1 71774960 ILNMTQIXQLSUDL-UHFFFAOYSA-N 372.472 4.667 0 50 FJAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C)cc1 100559538 HUWHMIJHFUTKCV-WFASDCNBSA-N 362.256 4.670 0 50 FJAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(-c2cnc3ccccc3c2)cc1 426505688 HCBWJSPRMQXFIF-QFIPXVFZSA-N 374.484 4.933 0 50 FJAA CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(NC(C)=O)c(C)c1 733618590 GQMOIZJCECRXBT-UHFFFAOYSA-N 371.456 4.579 0 50 FJAA CCc1cccc(NC(=O)CCC(=O)N2CCCCC[C@@H]2c2ccco2)c1 952864485 ZICVNYALMHJACM-LJQANCHMSA-N 368.477 4.705 0 50 FJAA CO[C@@H]1C[C@H]2C[C@H]1C[C@@H]2N(C)C(=O)[C@H](c1ccccc1C)C1CCCC1 1875408225 RAKXVHLZPJSXTC-DKBNTXJOSA-N 355.522 4.541 0 50 FJAA Cc1cnccc1-c1ccc(C(=O)Nc2cn(C3CCC3)nc2C)s1 2325786557 XGDIAVBJFNQOEK-UHFFFAOYSA-N 352.463 4.601 0 50 FJAA O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccc(Cl)c1 629333 NWPFTICNYGHGGD-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)cc1C 649304 BABFDAUCZZZFHZ-QZTJIDSGSA-N 374.484 4.768 0 50 FJAA CCOC(=O)c1ccc(Nc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 948447 YBOFVXJQTVTYGR-GFCCVEGCSA-N 367.474 4.736 0 50 FJAA O=C(OCc1cccc(F)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1050552 YCHKXIDSLOQTPZ-UHFFFAOYSA-N 374.371 4.900 0 50 FJAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cc2ccccc2o1 1053993 ACQDVKQQOCZMHR-UHFFFAOYSA-N 368.396 4.727 0 50 FJAA CCN(CC)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1C 1108500 YOUYGJMPSCTTIU-UHFFFAOYSA-N 369.490 4.713 0 50 FJAA O=C(/C=C/c1ccco1)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 1114501 HEPKDSLCXYPCPK-ZHACJKMWSA-N 366.804 4.837 0 50 FJAA O=C(c1cccc(COc2cc(Cl)ccc2Cl)c1)N1CCCC1 2753331 XBVAARHOCNXTDS-UHFFFAOYSA-N 350.245 4.808 0 50 FJAA CCc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)cc1 12149884 COCZISYEUFPCRV-PKTZIBPZSA-N 368.565 4.642 0 50 FJAA O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cn2ccnc2)cc1 44914941 CNIYFWKGRAVZGF-UHFFFAOYSA-N 353.425 4.851 0 50 FJAA CCOc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 72140696 ABVHJMGREIBVFU-UHFFFAOYSA-N 364.405 4.620 0 50 FJAA O=C(c1cccnc1-c1ccc(F)cc1C(F)(F)F)N1CCCCC1 97717339 YFVKPXTWJPFXKB-UHFFFAOYSA-N 352.331 4.533 0 50 FJAA Fc1cc(Br)cc([C@@H](NCc2ccc3c[nH]nc3c2)C2CC2)c1 479578403 XDCNWHOVBFHYNL-SFHVURJKSA-N 374.257 4.705 0 50 FJAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)CCCC(=O)O 4313937 IDXLBSTUJMLQJZ-AEFFLSMTSA-N 351.446 4.507 0 50 FJAA O=C(N[C@@H]1CCCN(C2CCCCCC2)C1)c1ccccc1C(F)(F)F 11754032 CHXZVUCUDUYUHL-OAHLLOKOSA-N 368.443 4.622 0 50 FJAA CCCc1nc2cccnc2n1C1CCN([C@@H]2CCc3ccccc3C2)CC1 11785209 VFQRYINCASFISZ-OAQYLSRUSA-N 374.532 4.578 0 50 FJAA CCC(CC)C(=O)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 12129624 OTPVAMFYVYVFRL-NRFANRHFSA-N 359.510 4.562 0 50 FJAA COC(=O)[C@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 12338658 XPCOKXPWNXOBKK-OAHLLOKOSA-N 370.754 4.888 0 50 FJAA CSc1ccccc1NC(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12585847 AHHMNXZXPKAOPN-INIZCTEOSA-N 361.555 4.717 0 50 FJAA CCN(CCn1cccn1)Cc1nc(-c2cccc3ccccc23)oc1C 15063712 YXZFQDNLUWYGBD-UHFFFAOYSA-N 360.461 4.522 0 50 FJAA C[C@@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65420659 FYJVNPXUGYWBSX-INIZCTEOSA-N 368.477 4.805 0 50 FJAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc2c(Cl)cccc2s1 170613364 MEIZQZZEDORMJF-CJNGLKHVSA-N 362.926 4.549 0 50 FJAA COc1csc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1 193159805 XJYXOAUWQSZBCC-QGZVFWFLSA-N 367.474 4.514 0 50 FJAA CC(=O)Nc1ccc(CCN[C@@H](C)C2(c3ccccc3)CCCC2)cc1 225565879 IXLVKLRNRXETQA-SFHVURJKSA-N 350.506 4.678 0 50 FJAA O=C1C[C@@H](C(=O)N2Cc3ccccc3-c3ccccc3C2)c2ccccc21 476002651 WREAQGJMDUCVGN-JOCHJYFZSA-N 353.421 4.566 0 50 FJAA O=C(c1ccc(-c2ccc(C(=O)N3CCC(F)CC3)cc2)c(F)c1)C1CC1 584895886 SFGUGSHKRAIEKY-UHFFFAOYSA-N 369.411 4.660 0 50 FJAA CC(C)n1cc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)cn1 1506398512 CSJZAVVOEQCYIX-UHFFFAOYSA-N 356.857 4.684 0 50 FJAA COCCO[C@H]1CCCN(c2nc(-c3ccc(C(C)C)cc3)cs2)C1 2325866284 GSXPXASBURVEPF-SFHVURJKSA-N 360.523 4.565 0 50 FJAA COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O 855641 LCLGHPLLJWGEMX-HNNXBMFYSA-N 353.805 4.682 0 50 FJAA O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1178642 ZHROORHKABBACU-UHFFFAOYSA-N 358.372 4.898 0 50 FJAA Cc1ccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2ccccc2)cc1 4508761 LAXGZZZXFPWVQX-RCCKNPSSSA-N 374.415 4.544 0 50 FJAA Cc1ccc2cccc(O[C@@]3(c4ccccc4)OC(=O)c4ccccc43)c2n1 5798956 NZCPDYYDFYYYSF-DEOSSOPVSA-N 367.404 4.994 0 50 FJAA Cc1ccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3ccc(F)cc3)C2)cc1 6697939 OWYDPCQDTMQOPE-OAQYLSRUSA-N 359.404 4.521 0 50 FJAA CCCN1CCC(NC(=O)C[C@H](c2ccccc2)c2ccccc2C)CC1 11709023 ZNSZGXVSFYCRJU-HSZRJFAPSA-N 364.533 4.508 0 50 FJAA CCOc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 16607521 JGLGEVXGNLQIBX-UHFFFAOYSA-N 372.896 4.589 0 50 FJAA CC(C)CN1CCC[C@H](c2[nH]ncc2-c2cccc(C(F)(F)F)c2)C1 20856731 NUVDKAIHOWIXET-HNNXBMFYSA-N 351.416 4.931 0 50 FJAA COc1ccc(COc2ccc(C[C@@H](C)C(=O)O)cc2Cl)cc1Cl 45068595 OTFUWWMLGHYHPJ-LLVKDONJSA-N 369.244 4.844 0 50 FJAA c1cncc(CN(Cc2ccsc2)Cc2cccn2-c2nccs2)c1 55037065 RVRQDJWBEPWWCR-UHFFFAOYSA-N 366.515 4.593 0 50 FJAA Cn1ccnc1CN1CC[C@H](c2ccnc(-c3csc4ccccc34)c2)C1 65453057 NVGVWCCCMQWSOQ-KRWDZBQOSA-N 374.513 4.686 0 50 FJAA C[C@@H](Nc1nc(C(F)F)nc2ccccc12)[C@@H](c1ccccc1)N(C)C 225532850 GWRUGJNTCLOKQC-DYVFJYSZSA-N 356.420 4.671 0 50 FJAA CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N([C@@H](C)CCc2ccccc2)C1=O 245253568 HVPIHAPTVNHLJF-RBOGUZDDSA-N 368.565 4.927 0 50 FJAA CO[C@H]1CCCN(C(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)C1 426491348 CPMJSSPCIKZEIN-HNNXBMFYSA-N 364.272 4.911 0 50 FJAA CC(=O)c1sccc1-c1ccc(C(=O)NCCCC[C@H]2CCCO2)cc1 534574412 DUWPQJCCNHBUCB-SFHVURJKSA-N 371.502 4.697 0 50 FJAA c1ccc(CC[C@H]2CCCCN2Cc2ccc(-c3cc[nH]n3)s2)nc1 820414135 GNJXJTBJYRRGQE-QGZVFWFLSA-N 352.507 4.521 0 50 FJAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2cc3c(Cl)cccc3[nH]2)c1 952988787 PDMMXHXBJMTDHF-GFCCVEGCSA-N 367.836 4.589 0 50 FJAA Cc1ccc(-c2cc(CN3CCC([C@H](O)c4cccs4)CC3)on2)cc1 1529119759 LHOYNUAYGBACDS-NRFANRHFSA-N 368.502 4.657 0 50 FJAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Oc1cc(C)cc(C)c1 1875302581 XBFKOGCPEMQHLB-UHFFFAOYSA-N 368.882 4.822 0 50 FJAA Cc1ccccc1[C@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C1CC1 1875321308 CNPNBSWLAUBSJA-LJQANCHMSA-N 370.399 4.959 0 50 FJAA O=C(O)c1cc(CN2CCC(c3ccc(O)cc3)CC2)c2ccccc2c1 2325803661 TWUHVTBUOVFEAS-UHFFFAOYSA-N 361.441 4.623 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)ccc1Br 753180 ZQVYLFNYMHZXEO-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA CCOC(=O)c1c(Nc2ncnc3sc(C)c(C)c23)sc(C)c1C 952446 UBYVYHLGEZMLSV-UHFFFAOYSA-N 361.492 4.907 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(N(C)C)c3ccccc23)ccc1Cl 1179383 PORDGVNMCSYKSR-UHFFFAOYSA-N 368.864 4.885 0 50 FJAA COc1ccc(OCc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 1182915 MDUUBTMYLMWGFE-UHFFFAOYSA-N 358.441 4.981 0 50 FJAA Cc1cc(/C=C2/SC(=O)NC2=O)c(-c2ccccc2)n1-c1ccccc1 1187122 IMYHCRVPDWXBOM-QGOAFFKASA-N 360.438 4.777 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1nccc(-c2cccs2)n1 1404082 XFSQSFNMMHMGPY-UHFFFAOYSA-N 364.352 4.868 0 50 FJAA CC(=O)Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 3898226 YEASCLFTFSBMLB-HSZRJFAPSA-N 356.425 4.968 0 50 FJAA Cc1ccc(-c2csc(NC(=O)c3ccccc3F)c2C(=O)O)cc1 4805649 IWFUQJPZKSSGRJ-UHFFFAOYSA-N 355.390 4.813 0 50 FJAA CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 4810988 ODTNLAFJZFFUJY-UHFFFAOYSA-N 350.443 4.667 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc1 5034944 YDXDWXNKFPQSHV-MDWZMJQESA-N 366.446 4.751 0 50 FJAA CC1CCN(C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 10460795 XZIGOBNRRMONIJ-UHFFFAOYSA-N 371.868 4.856 0 50 FJAA CCOc1cccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12298967 FKDNBFQNLZCPJY-OAHLLOKOSA-N 353.441 4.569 0 50 FJAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)cc1C 12318355 FDUCONKQGAFDBC-FQEVSTJZSA-N 359.473 4.568 0 50 FJAA COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC 26675191 NJLHHCITDFZZSE-QGZVFWFLSA-N 370.880 4.576 0 50 FJAA in-vitro COc1ccc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)cc1 72431748 TUZHMWZWJVYTDL-UHFFFAOYSA-N 350.809 4.591 0 50 FJAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cc(-c3ccccn3)no2)C1 92077303 CQHUERVTZNWLGT-OAQYLSRUSA-N 353.466 4.612 0 50 FJAA O=C(O)CCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc21 95726687 VFGXRQTXBKIHBH-UHFFFAOYSA-N 369.848 4.975 0 50 FJAA in-vitro C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1 97743165 IEOSZNXQXBGWCD-HNNXBMFYSA-N 371.444 4.535 0 50 FJAA CCCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-c2ccccc2OC)c1 299783444 YHLURKHBUXWPQK-IBGZPJMESA-N 368.477 4.785 0 50 FJAA CC(C)Sc1ccccc1NC(=O)N1CCC(Oc2ccncc2)CC1 299800802 VQPDZWKFNFIARE-UHFFFAOYSA-N 371.506 4.657 0 50 FJAA c1ccc(CC[C@@H]2CCCCN2Cc2ccc(-c3cc[nH]n3)s2)nc1 820414130 GNJXJTBJYRRGQE-KRWDZBQOSA-N 352.507 4.521 0 50 FJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cccc(OC)c2)cc1 952975216 HWSUGWDQOWFDBE-QFIPXVFZSA-N 360.457 4.981 0 50 FJAA C[C@H](NC1CCN(Cc2ccco2)CC1)c1ccccc1C(F)(F)F 1529133739 FYWIYYOAMGBWPJ-AWEZNQCLSA-N 352.400 4.614 0 50 FJAA O=C(O)c1ccccc1C(=O)O[C@@H](c1ccccc1)c1cccc(Cl)c1 641569 XPUDMIASEFZLDR-IBGZPJMESA-N 366.800 4.985 0 50 FJAA O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccccc1F 645455 IBTIAPCQMGJYRA-UHFFFAOYSA-N 360.340 4.818 0 50 FJAA biogenic O=C1C[C@@H](C(=O)N(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)O1 754088 UGMLJFDSUBDKKQ-IFMALSPDSA-N 357.409 4.656 0 50 FJAA Cc1cc(C)cc(NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)c1 2750298 DTLINTIYEXNUIY-UHFFFAOYSA-N 369.358 4.973 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2c1CCCC2 2860044 QNECHGWSVBOHKL-UHFFFAOYSA-N 350.245 4.890 0 50 FJAA O=C1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 4521906 OZWWLABCDGFABG-JOCHJYFZSA-N 358.437 4.701 0 50 FJAA Cc1sc2ncn3nc(CC45CC6CC(CC(C6)C4)C5)nc3c2c1C 6921844 KYJUVALGBRXQAG-UHFFFAOYSA-N 352.507 4.715 0 50 FJAA O=C(c1cccs1)N(Cc1cccc(OC[C@H]2CCCCO2)c1)C1CC1 14954636 MAESMVVEVJTENF-LJQANCHMSA-N 371.502 4.501 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@@]4(C)C3=O)cc2)c1C 169687674 YTMFUJMILRNSCU-CXPUYTBASA-N 373.452 4.797 0 50 FJAA O=C(NC1(c2nc([C@H]3CCCOC3)cs2)CCCCC1)c1ccccc1 183881289 LVVOLYWYMCJSIN-KRWDZBQOSA-N 370.518 4.627 0 50 FJAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@H]1c1ccc(Cl)cc1 184526370 IUVGDGCGMUTIIV-KRWDZBQOSA-N 373.888 4.806 0 50 FJAA COc1ccccc1-c1ccc(-c2ccc(OC)c3nc(C)ccc23)nn1 216496498 BFTVMLSZRUBCOR-UHFFFAOYSA-N 357.413 4.684 0 50 FJAA CCOc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccccc4[C@H]3C2)cc1 239274904 AWMNRBIWNLOFTP-KNQAVFIVSA-N 360.413 4.921 0 50 FJAA Cc1cccnc1CSc1ccccc1C(=O)N[C@H]1CC[C@H](C)CC1 2325895324 XZXVXFDGVLYFRZ-JCNLHEQBSA-N 354.519 4.991 0 50 FJAA CCNc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 991892 SSVXSQBPKWCVSE-QFIPXVFZSA-N 359.425 4.899 0 50 FJAA COc1ccccc1O[C@H](C)C(=O)c1ccc(OCc2ccccc2)cc1 993413 CRKVPGCQGXFDCZ-QGZVFWFLSA-N 362.425 4.924 0 50 FJAA O=C(/C=C/c1cccs1)Nc1nc2ccc(Br)cc2s1 1115205 HFUIWYTVRPLHNB-GQCTYLIASA-N 365.277 4.772 0 50 FJAA CCOC(=O)c1c(C)n(C2CCCC2)c2cc(Br)c(O)cc12 1428699 DIWNMXPISJFYFX-UHFFFAOYSA-N 366.255 4.710 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(CC3=CCCCC3)s2)cc1 2236942 CZVUYYSKNMLFPC-UHFFFAOYSA-N 358.467 4.624 0 50 FJAA CCCCOCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2743606 GIBAKKGZSJJUDV-FQEVSTJZSA-N 357.519 4.843 0 50 FJAA Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)c1 4680881 ALIGPWODJWOQDM-UHFFFAOYSA-N 367.474 4.899 0 50 FJAA Cc1cc2nc(NC(=O)c3ccccc3-c3nccn3C)sc2cc1C 20535728 JTVJMHIZCYDZMW-UHFFFAOYSA-N 362.458 4.566 0 50 FJAA CC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\CCC(=O)O 34961959 OAZUCYZBXHOCES-QBEJVNRSSA-N 362.510 4.715 0 50 FJAA in-vitro Cc1cc(NCc2csc(-c3cnccn3)n2)nc2cc(Cl)ccc12 55401248 IPXQMJZIHVPGQV-UHFFFAOYSA-N 367.865 4.722 0 50 FJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1ccccc1)C2 67846921 WCDRGRZFRSRYJT-UHFFFAOYSA-N 366.848 4.502 0 50 FJAA O=C(c1ccncc1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71681428 PMIFRNWNVOISAP-OAHLLOKOSA-N 362.395 4.585 0 50 FJAA CC(=O)N(c1nc(CSc2ncc[nH]2)cs1)c1c(C)cc(C)cc1C 170643122 YHBZOXZPBSWNBH-UHFFFAOYSA-N 372.519 4.768 0 50 FJAA CCn1ncc2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cc21 182055335 XJAKYCYLQSAOEH-UHFFFAOYSA-N 353.388 4.754 0 50 FJAA O=C(CCSCc1ccc(F)cc1)N1CCCC[C@H]1c1ccccn1 221163431 CSOCIPDLKMVWPF-IBGZPJMESA-N 358.482 4.598 0 50 FJAA C=Cc1ccc(-c2ccc(C(=O)N(CCC)[C@@H]3CCCC[C@H]3O)cc2)nc1 534652449 NOMDYXDGZFLYGW-FGZHOGPDSA-N 364.489 4.547 0 50 FJAA Cc1cccnc1C[C@@H](C)N(C)C(=O)c1cccc(-c2cccc(F)c2)c1 826621398 XHLVHJSDHJPTSK-QGZVFWFLSA-N 362.448 4.899 0 50 FJAA C[C@@H](Cn1ccnc1-c1cccc(CC(F)(F)F)c1)Oc1cccnc1 1857707437 SAMGHIWOEWIVQY-AWEZNQCLSA-N 361.367 4.517 0 50 FJAA CCCOc1ccc(/C=C/C(=O)Nc2cc(-c3cnccn3)ccc2C)cc1 2325741450 SMDWETIGPHMKHE-YRNVUSSQSA-N 373.456 4.893 0 50 FJAA COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2Br)cc1 674855 VWZZNRDOFWVAIE-UHFFFAOYSA-N 363.251 4.974 0 50 FJAA COc1ccc(CNc2nc3c(Cl)cccc3s2)c(OC)c1OC 680169 AMPLTURJVDSGCK-UHFFFAOYSA-N 364.854 4.588 0 50 FJAA C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 1070004 JYYCLFPBTYZJGO-SNVBAGLBSA-N 374.223 4.691 0 50 FJAA O=C(CSc1ccc(Cl)cc1)Nc1cccc(Br)c1 1197789 PFVZYOIVKPXLKO-UHFFFAOYSA-N 356.672 4.833 0 50 FJAA CCOc1ccc(N2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 1210411 UGCPMWQWFIHADP-CVCOPPNTSA-N 351.427 4.882 0 50 FJAA CCn1c(SC/C=C/c2ccccc2)nc2sc(C)c(C)c2c1=O 2396727 RPYGXSJQYKENPA-DHZHZOJOSA-N 356.516 4.900 0 50 FJAA Cc1cccc(C)c1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 2883579 BSFRSCHIAQQERD-UHFFFAOYSA-N 361.441 4.900 0 50 FJAA CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 3908498 RGYIIRKHBBCAQC-UHFFFAOYSA-N 361.228 4.921 0 50 FJAA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2cc1O 5576008 KLFHDXUXQLLFTC-UHFFFAOYSA-N 352.283 4.886 0 50 FJAA c1ccc2c(-c3[nH]ncc3CNC[C@@H]3CCCN4CCCC[C@H]34)cccc2c1 19148269 TZGIJBUWXQWHHL-WMZHIEFXSA-N 374.532 4.584 0 50 FJAA c1ccc([C@H]2CCCCN2Cc2c[nH]nc2-c2cc3ccccc3o2)nc1 23250522 JKGQJZYJSJUDQN-LJQANCHMSA-N 358.445 4.945 0 50 FJAA Clc1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 55543656 RLXSTRHYAGAYEJ-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA Cc1cccc([C@@H](NC(=O)c2cc(C)nc3c(C)c(C)ccc23)C2CC2)n1 77300006 KHWUGBAELCRQNZ-QFIPXVFZSA-N 359.473 4.745 0 50 FJAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCCC[C@H]1c1cccc(F)c1 91350758 PKHAQQXOFILITN-IBGZPJMESA-N 367.399 4.722 0 50 FJAA COc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1N1CCCCC1=O 170626185 UDOFWWAGIRIVKE-ZDUSSCGKSA-N 360.404 4.663 0 50 FJAA Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)c(OCc2ccccc2)c1 237713114 QTNUDQKJZCUGAH-UHFFFAOYSA-N 361.397 4.525 0 50 FJAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2c1nc(C2(OC)CCOCC2)no1 329690710 WDBSCRUMRFHUFT-LFDOHDQPSA-N 362.514 4.822 0 50 FJAA CC(C)[C@@H]1N(C(=O)Nc2ccc3ccnc(O)c3c2)CC12CCCCC2 333449748 YHASQBUXHCAAIX-SFHVURJKSA-N 353.466 4.763 0 50 FJAA CCOCC1CCN(C(=O)c2cccc(-c3ccc(OC)cc3C)c2)CC1 426470715 QIJWLUZIGLWKMF-UHFFFAOYSA-N 367.489 4.559 0 50 FJAA Cc1ccc(CNC(=O)C2CCN([C@H](C)c3ccccc3C)CC2)cc1F 483410352 QJLFETQROCIKEX-GOSISDBHSA-N 368.496 4.532 0 50 FJAA Cc1cccc(N2CCC(NCc3ccc([C@@H]4CCCCO4)o3)CC2)c1 952975363 JFDYQXPHFMWPQK-NRFANRHFSA-N 354.494 4.588 0 50 FJAA O=C(CN1CC[C@H]2CCCC[C@H]21)Nc1ccccc1Oc1ccccc1 1875258202 PPUHJILOGWNGTL-YLJYHZDGSA-N 350.462 4.682 0 50 FJAA COCc1nc(-c2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)co1 2325756072 OYCOKZHULVGCSI-LBPRGKRZSA-N 373.478 4.751 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2 1114067 TVSQUWXEZAGGAK-UHFFFAOYSA-N 373.865 4.891 0 50 FJAA O=C(CSc1nc2ccccc2o1)NC(c1ccccc1)c1ccccc1 1119463 XAXMBTGTJNHOJU-UHFFFAOYSA-N 374.465 4.826 0 50 FJAA CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1132743 XQJBWFBNXSXBMO-UHFFFAOYSA-N 365.260 4.728 0 50 FJAA CN(C)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1233895 GUXWHHMTPDUNQW-UHFFFAOYSA-N 366.408 4.786 0 50 FJAA biogenic O=C(CCCCc1nc2ccccc2s1)OCC(=O)c1ccc(F)cc1 2701959 PNPZQZKIWZYYDH-UHFFFAOYSA-N 371.433 4.574 0 50 FJAA COc1ccccc1OCCOc1c(C)cc(Br)cc1C 2990997 DJIKQOIOSBYELO-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 4156276 WMEFJLVEGHRWBZ-NZWMYCLXSA-N 368.304 4.846 0 50 FJAA O=C(N[C@@H](CCCCN1CCCCC1)c1ccccc1)c1ccccc1 4713667 NWXJLOIXRPPRIT-QFIPXVFZSA-N 350.506 4.814 0 50 FJAA O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccs2)on1 8830906 XEFPVVBRGGPPTA-UHFFFAOYSA-N 352.387 4.970 0 50 FJAA aggregator CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSC)cc1 11717928 WNNBHXOBNREWQP-JOCHJYFZSA-N 364.514 4.567 0 50 FJAA Cc1c([C@@H](C)NC2CCSCC2)cnn1-c1cccc2ccccc12 11818557 DLNWKXHWYBXLNX-OAHLLOKOSA-N 351.519 4.880 0 50 FJAA CN(Cc1cc(O)c2cccc(Cl)c2n1)[C@@H](c1ccccn1)C1CC1 91254848 LXVMZOMXCUBTBF-HXUWFJFHSA-N 353.853 4.572 0 50 FJAA 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@@]21C 118915870 KHEZIAQMLFFOSK-NXFOENBRSA-N 358.522 4.942 0 50 FJAA Cc1onc(-c2ccccn2)c1C(=O)N1CC2(CCCC2)c2ccccc21 133328605 BIIMEKPIDSIZBF-UHFFFAOYSA-N 359.429 4.517 0 50 FJAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ncc(C(F)(F)F)s1 170609658 SCEULLKLMHWMPU-GFCCVEGCSA-N 355.385 4.839 0 50 FJAA Cc1cc2oc(C(=O)Nc3cccc4c3OCCO4)c(C)c2cc1Cl 334163195 WIXHAEGEXLXSKN-UHFFFAOYSA-N 357.793 4.727 0 50 FJAA COc1ccc2c(C)cc(-c3ccc([C@H](C)N4CCOCC4)cc3)nc2c1 426493183 MMOMUOAXWBOVPU-KRWDZBQOSA-N 362.473 4.612 0 50 FJAA COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)CC(C)C 824596675 JJSKMUXLRCFXJG-UHFFFAOYSA-N 360.841 4.586 0 50 FJAA Cc1cc(C)c2c(CC(=O)N(C)[C@@H](C)c3nc(C)sc3C)coc2c1 952969918 NJHBAKRCOJMONE-ZDUSSCGKSA-N 356.491 4.885 0 50 FJAA COc1ccccc1C[C@H](C)N(Cc1ccccc1)C[C@H]1CC[C@H](O)CC1 1875344089 DFELWQBGSXYLLS-RRPUWOKSSA-N 367.533 4.680 0 50 FJAA Oc1ccc2c(c1)[C@@H](N[C@H]1CCOc3c1ccc(Cl)c3Cl)CC2 2325756278 VONODJZZFWJQOD-HOTGVXAUSA-N 350.245 4.800 0 50 FJAA CCc1ccc(OC(=O)COc2ccccc2Cl)c(Br)c1 676480 XSLCALDJCMECES-UHFFFAOYSA-N 369.642 4.649 0 50 FJAA Cc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1 949621 AZYYNLJFNKDMLC-UHFFFAOYSA-N 355.397 4.901 0 50 FJAA CCSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 993600 PYDYAKGQGAWWRA-GUYCJALGSA-N 354.479 4.527 0 50 FJAA CC(=O)Nc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 1122045 YEOJXIUSLHKTHL-UHFFFAOYSA-N 354.262 4.761 0 50 FJAA Cc1ccc2oc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2c1 1172728 YTZJYHKPEZORHZ-UHFFFAOYSA-N 364.426 4.604 0 50 FJAA CCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC)c2)cc1 1779223 ZLBUCDSAERCGKT-MDWZMJQESA-N 355.434 4.535 0 50 FJAA COC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1 2534326 MJFPWKZIMHXYCR-UHFFFAOYSA-N 350.414 4.971 0 50 FJAA O=C1C[C@H](c2ccccc2)Sc2nc(-c3cccc4ccccc34)nn21 2694727 WETKSGALUKXELJ-GOSISDBHSA-N 357.438 4.976 0 50 FJAA Oc1ccc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)c1 5739520 QOFFCTHEVIXSEA-XLIONFOSSA-N 366.804 4.881 0 50 FJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCC(C)CC1 5977718 FCGLDVNBTGRJTN-UHFFFAOYSA-N 374.531 4.630 0 50 FJAA CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 12382935 HKSMCYDHBJQVLI-UHFFFAOYSA-N 350.462 4.688 0 50 FJAA Cc1ccsc1C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 15062720 NGLSIWALAZHWNH-UHFFFAOYSA-N 358.850 4.563 0 50 FJAA Cc1nc(Cn2ccc(-c3cccc(-c4ncccc4F)c3)n2)cs1 19744556 DPFQNHSPVHKMCC-UHFFFAOYSA-N 350.422 4.564 0 50 FJAA COc1ccc(F)cc1[C@@H](C)Nc1cc(-c2nc(C(C)C)no2)ccn1 174689962 VSMCLBBFXFZCKX-GFCCVEGCSA-N 356.401 4.576 0 50 FJAA CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@H]1C 239247999 XVMYIMXBHZVAHC-LSUGYDDCSA-N 369.505 4.647 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3ncccc23)cc1 299786540 MYVWAZLLZYHWBE-QFIPXVFZSA-N 374.488 4.665 0 50 FJAA O[C@H](c1cccc(-c2cccc(OCc3ccccc3)c2)n1)C(F)(F)F 1875322831 JXKGKOKEQHBQHV-LJQANCHMSA-N 359.347 4.923 0 50 FJAA CCn1cc(CNc2ccc(-c3cn4ccccc4n3)cc2)c(C2CC2)n1 1875328653 FNRVSULJRKWWMU-UHFFFAOYSA-N 357.461 4.707 0 50 FJAA Cc1cc(Cl)cc(-c2cncc3ccccc23)c1OC1CCNCC1 1875329783 JBDZODFPXQILFU-UHFFFAOYSA-N 352.865 4.994 0 50 FJAA O=C(N[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccco1 623007 QXLKMKFUSOOLDO-LJQANCHMSA-N 371.845 4.664 0 50 FJAA Cc1ccc(OCC(=O)Oc2ccc(Br)c3ccccc23)cc1 673885 LORVSPYOIATIBW-UHFFFAOYSA-N 371.230 4.895 0 50 FJAA CCOc1cc(C(=O)Nc2c(C)cccc2C)cc(OCC)c1OCC 851805 FSROKYVOELAUIU-UHFFFAOYSA-N 357.450 4.752 0 50 FJAA biogenic,in-vitro CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)c3ccccc3)c12 941160 PQHXXVVGERBWKX-OAHLLOKOSA-N 350.414 4.704 0 50 FJAA Cc1ccc(N[C@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233924 DREPDIDPCAWMMR-CQSZACIVSA-N 372.683 4.925 0 50 FJAA C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccncc1 2868142 VMGCWHAPVRXEDB-MRXNPFEDSA-N 353.425 4.788 0 50 FJAA COc1cc(OC)c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1Cl 2880249 IAYSDYKUIJSVIM-GFCCVEGCSA-N 365.882 4.785 0 50 FJAA CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3ccccn3)sc2c1 2882899 XTNZOGVDXDFJEA-CQSZACIVSA-N 373.503 4.599 0 50 FJAA CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)c(Cl)c2)cc1Cl 3148376 ULXWIWCUCFCRSI-UHFFFAOYSA-N 351.233 4.501 0 50 FJAA Cc1ccc(OCCSc2nc(C)c(Cc3ccccc3)c(O)n2)cc1 4626356 MXRXWLOCLLHQIG-UHFFFAOYSA-N 366.486 4.561 0 50 FJAA CCOc1ccc(Br)cc1/C=C/c1nc2ccccc2c(=O)o1 4833819 HPRFLUMHIACOGN-JXMROGBWSA-N 372.218 4.520 0 50 FJAA CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@H](c1ccccc1)C2 4912708 PWAIIYWTEJEUDP-GOSISDBHSA-N 373.452 4.695 0 50 FJAA O=C(CCCC(=O)Oc1ccccc1F)Nc1cccc2ccccc12 4956613 MQYSLRWKQDFSAU-UHFFFAOYSA-N 351.377 4.693 0 50 FJAA COc1cccc(-n2c([C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]c2=S)c1 5423629 HYWPIDHLCBKOFI-HZPDHXFCSA-N 357.866 4.863 0 50 FJAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1C1CCCC1 11821816 CAGJKLHHMLIEAC-OAQYLSRUSA-N 365.477 4.610 0 50 FJAA Cc1ccccc1-c1cccc(N2CCC(NC[C@H]3CCCOC3)CC2)c1 23368115 HKAULDVXNZREEO-HXUWFJFHSA-N 364.533 4.647 0 50 FJAA CC[C@@H](C(=O)CCCC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1 25574354 NBCQWTOYNKVSRQ-IBGZPJMESA-N 365.473 4.890 0 50 FJAA C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCCO1 72435490 KDGJANSGWJHVIK-CQSZACIVSA-N 368.864 4.739 0 50 FJAA CCO[C@H](C)CN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72481260 IVKCFJRIIUCEQB-CQSZACIVSA-N 370.880 4.985 0 50 FJAA CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2n1C 77392078 VCUKFUXZZHNCJO-KRWDZBQOSA-N 366.490 4.664 0 50 FJAA CCc1c(NCc2cc(Cl)cc3c2OCOC3)cnn1C(CC)CC 170618779 ZMTQLLDGESNBRS-UHFFFAOYSA-N 363.889 4.939 0 50 FJAA Cc1nc(C)c(C(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)s1 252482512 DHVYBADMLBCVDS-QGZVFWFLSA-N 370.522 4.818 0 50 FJAA CCn1nc(C)c(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)c1C 952989688 RRHDNNMXLYCMHI-IBGZPJMESA-N 355.457 4.564 0 50 FJAA COc1cc(OC)c(NC(=O)COc2cccc3ccccc23)cc1Cl 724410 UKNORFBBANWRCN-UHFFFAOYSA-N 371.820 4.528 0 50 FJAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 993662 VMKLWYVDWIXNDK-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA CC(=O)Nc1ccccc1Sc1ncnc2sc3c(c12)CCCC3 1148910 HSDTXTWSJUYBMF-UHFFFAOYSA-N 355.488 4.680 0 50 FJAA COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(Cl)cc2)c1 1151361 WZOFOEISFISCJR-UHFFFAOYSA-N 363.866 4.556 0 50 FJAA COCC1(COC)[C@H](c2ccccc2)CC(OC)C[C@H]1c1ccccc1 4786604 NUHARMJHXGEBKE-VXKWHMMOSA-N 354.490 4.642 0 50 FJAA CC(=O)Nc1ccc(C(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1 5197165 OPJRKWVQWFDDIY-UHFFFAOYSA-N 358.441 4.784 0 50 FJAA Cc1nc2n(Cc3ccccc3)c3ccccc3n2c1C(=O)c1cccs1 5336589 WUIXPRFJXMPHAA-UHFFFAOYSA-N 371.465 4.938 0 50 FJAA Cc1cc2cc(C(=O)N[C@@H](C)c3cnn(-c4ccccc4)c3C)ccc2o1 11873908 OJOOVZCNBQACNU-HNNXBMFYSA-N 359.429 4.726 0 50 FJAA CC(C)CN1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 11879119 IBAUZOHJTJCJDV-UHFFFAOYSA-N 370.468 4.925 0 50 FJAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)C2(C)CCCCC2)C1 12592552 HKXGXFJKFNMZCF-NRFANRHFSA-N 370.581 4.678 0 50 FJAA COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)C(C)(C)C)no2)cc1 19081409 YPEXHFBQQUSJST-SFHVURJKSA-N 356.466 4.840 0 50 FJAA CCOc1ccc2oc(C)c(C(=O)Nc3c(C)cnn3[C@H](C)C3CC3)c2c1 55154672 FYXPROZEONSYSR-CYBMUJFWSA-N 367.449 4.868 0 50 FJAA Cc1cc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)ccc1O 67587533 AXGBMTJUEBKFRK-UHFFFAOYSA-N 354.837 4.567 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCCC[C@@H]3c3ccccn3)c2c1 77503736 NUCVUWCDSAINHA-JOCHJYFZSA-N 359.473 4.868 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC[C@H]3c3cc(C)on3)c2c1 95499684 HXGMUBMCHWZBTJ-FQEVSTJZSA-N 363.461 4.824 0 50 FJAA CC(C)c1nn(C)cc1CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 253432006 VYXJSDGZJPVJOL-CTYIDZIISA-N 352.309 4.886 0 50 FJAA Cc1cc(C)nc(-c2cccc(C(=O)N[C@H](C)c3nc(C)cs3)c2)c1 299778954 IWYSQUFOJMZCRI-OAHLLOKOSA-N 351.475 4.621 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 584895509 QDVZONBBDYTPOE-NRFANRHFSA-N 374.484 4.933 0 50 FJAA Fc1cc(CN2CCCN(Cc3cccs3)CC2)ccc1C(F)(F)F 1704347263 AFHQNXCAZGMMIT-UHFFFAOYSA-N 372.431 4.614 0 50 FJAA Cc1ccncc1/C=C/C(=O)O[C@@H](C)[C@H](C)c1nc2ccccc2s1 2325733094 YBEKSEQPNDBPLW-JJGIJDNGSA-N 352.459 4.748 0 50 FJAA O=C1C[C@H](CO)CN1c1ccc(-c2ccc(Cl)c3ccccc23)cc1 2325860987 BGSUSDBJKHKBBR-AWEZNQCLSA-N 351.833 4.505 0 50 FJAA Cc1cc2ncn(CCOc3ccc(C(=O)c4ccccc4)cc3)c2cc1C 1066528 BOZNRHUPCBXAKT-UHFFFAOYSA-N 370.452 4.963 0 50 FJAA O=c1oc2cc(OCc3ccccc3Br)ccc2c2c1CCC2 1153546 HCCALRDQFXLSOB-UHFFFAOYSA-N 371.230 4.623 0 50 FJAA COc1cc2c(-c3ccc(Cl)cc3)nc3[nH]nc(C)c3c2cc1OC 1209107 CATRSGZPHUDYQO-UHFFFAOYSA-N 353.809 4.757 0 50 FJAA CCCCOc1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 1778199 JJGHKJSXBREAQT-UHFFFAOYSA-N 357.450 4.672 0 50 FJAA O=C(Nc1cccc(Oc2cnccn2)c1)Nc1cccc(C(F)(F)F)c1 4108363 BTIJRMWCGCCZCL-UHFFFAOYSA-N 374.322 4.932 0 50 FJAA Cc1cc(Cl)ccc1OCCCC(=O)NC12CC3CC(CC(C3)C1)C2 4902298 WYKPNQMGLHHMHV-UHFFFAOYSA-N 361.913 4.892 0 50 FJAA O=C(O)CCN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 4903088 OLMDOBSZEZQBDZ-OAQYLSRUSA-N 366.505 4.857 0 50 FJAA biogenic CCCOc1ccc([C@@](O)(CCN2CCCCC2)c2ccc(C)cc2)cc1 15836988 XXSXPVUITMQTJP-XMMPIXPASA-N 367.533 4.896 0 50 FJAA CC/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O 34961970 LINXWSBRRJSWHL-VABGYXHOSA-N 362.510 4.715 0 50 FJAA in-vitro CCSc1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 61167007 RYCILDGYQSDKPD-UHFFFAOYSA-N 365.502 4.913 0 50 FJAA Cc1cccc2oc(Cn3cnc(-c4ccccc4)c3[C@H]3CCOC3)nc12 65460151 VEFFJJNGNOXHES-KRWDZBQOSA-N 359.429 4.552 0 50 FJAA CCC[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 227154781 CCGRPORSSRFJFU-KRWDZBQOSA-N 352.409 4.794 0 50 FJAA N=[S@]1(=O)CCN(Cc2ccc(Oc3ccccc3)cc2)c2ccccc21 1875342974 BJQFKMMDSSAMLS-SANMLTNESA-N 364.470 4.905 0 50 FJAA CCOc1ccc(OCc2ccc(C(=O)N(C)c3ccccc3)o2)cc1 812298 PSLMFWMONBIWOZ-UHFFFAOYSA-N 351.402 4.534 0 50 FJAA O=C(Oc1ccc2oc(=O)sc2c1)c1sc2ccccc2c1Cl 882750 NULSAMFMAJHYON-UHFFFAOYSA-N 362.815 4.942 0 50 FJAA biogenic CSc1nc2sc3c(c2c2n[nH]c(=S)n12)CC[C@@H](C(C)(C)C)C3 985190 ASSMGGHDMYZYFI-MRVPVSSYSA-N 364.565 4.874 0 50 FJAA O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(F)cc1 1099276 BFEZXDXFMUCXKB-UHFFFAOYSA-N 358.372 4.698 0 50 FJAA COc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3C)cc2)c1 1134656 FKKSLERKLDEAMA-UHFFFAOYSA-N 369.442 4.597 0 50 FJAA COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2C)cc1OC 1180524 XNOQCRXIIRIXAD-UHFFFAOYSA-N 368.458 4.696 0 50 FJAA Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2Cl)c1 1184912 RVINIFRXOVJIQQ-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA O=C(CCc1ccccc1)Nc1cccc(NC(=O)NC2CCCCC2)c1 12138725 ITZHLUZYYJRIAF-UHFFFAOYSA-N 365.477 4.712 0 50 FJAA CSc1ccc2c(C)cc(N3Cc4cnc(C(C)(C)C)nc4C3)nc2c1 67457755 UMMUCRDVKTZXGJ-UHFFFAOYSA-N 364.518 4.873 0 50 FJAA COc1ccc(-n2cccn2)c(CN2CC[C@H](c3cccc(Cl)c3)C2)c1 216158958 BQSUVBAZBHPBCT-KRWDZBQOSA-N 367.880 4.524 0 50 FJAA C[C@@H](CCCc1cccnc1)NC(=O)NCc1cccc2ccsc12 1875307103 KPLPBHDUSMTVMF-HNNXBMFYSA-N 353.491 4.507 0 50 FJAA Cc1ccc(C)c([C@@H](C(=O)N[C@@H](C)CCc2ccc(O)cc2)C(C)C)c1 1875342440 RJENFSGSTUTAAT-AVRDEDQJSA-N 353.506 4.886 0 50 FJAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H]1c1cc(F)ccc1F 2325818658 PPQOVMSWYVUDPZ-IBGZPJMESA-N 368.387 4.724 0 50 FJAA CCOc1cccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 648123 VNGWIIJCZIVDNZ-UHFFFAOYSA-N 372.218 4.761 0 50 FJAA Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1Cl 1175124 NHZUCRIFOZDAFV-UHFFFAOYSA-N 354.862 4.928 0 50 FJAA COc1ccc(-n2cnc3cc(NC(=O)c4ccc(C)cc4)ccc32)cc1 1220818 GSHMRNVDYKVYBD-UHFFFAOYSA-N 357.413 4.595 0 50 FJAA O=C(Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)c1cccs1 1236763 BMZICAIWIZRGFB-UHFFFAOYSA-N 366.369 4.880 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)Nc1ccccc1-2 2912149 ZDRHOIYFSRNUHX-KRWDZBQOSA-N 368.437 4.683 0 50 FJAA CSc1nnc2c(n1)O[C@@H](c1c(C)cc(C)cc1C)Nc1ccccc1-2 2977995 OLNFNYMCCXWJLF-SFHVURJKSA-N 364.474 4.689 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1Cc1ccccc1 4819051 OEKLBNPKFQZRMQ-NTCAYCPXSA-N 356.400 4.754 0 50 FJAA COc1cccc(-n2c([C@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]c2=S)c1 5423648 HYWPIDHLCBKOFI-HOTGVXAUSA-N 357.866 4.863 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccc(F)cc1)C2 12042903 RLCYDIUZPWMEAP-UHFFFAOYSA-N 355.434 4.654 0 50 FJAA CN(Cc1ccno1)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl 12074996 IUWQYENNIVFMES-GOSISDBHSA-N 354.837 4.509 0 50 FJAA COc1ccccc1CCn1cnc(-c2ccccc2)c1C1CCOCC1 65461302 MAAKDGGVCFQUDF-UHFFFAOYSA-N 362.473 4.695 0 50 FJAA C[C@@H](c1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1)N(C)C 67755749 IUJXTCJEMVXBIC-KRWDZBQOSA-N 371.488 4.611 0 50 FJAA 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 253501676 WVHKCBDRQIXZLC-XIKBUJSXSA-N 360.494 4.582 0 50 FJAA c1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CCCC3)=N2)cc1 642814188 HLPYVXKTMXQMID-WOJBJXKFSA-N 360.457 4.887 0 50 FJAA CC(C)n1cnnc1[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 827999756 OCYXQINOMWLSNX-HNNXBMFYSA-N 365.437 4.534 0 50 FJAA CCN(CC)C(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N 803992 XAYWNTMHBAIHSF-UHFFFAOYSA-N 373.444 4.677 0 50 FJAA Cc1ccc(C(=O)COc2ccc3c(C)c(Cl)c(=O)oc3c2C)cc1 2979649 OFXLLOOQEODFTG-UHFFFAOYSA-N 356.805 4.633 0 50 FJAA CCN(C(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccccc1 3091134 VJBVKODTRKFBTD-UHFFFAOYSA-N 358.441 4.914 0 50 FJAA Cc1ccc(C)c(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1 4989518 IKUSTJVCCKVNLS-UHFFFAOYSA-N 374.322 4.550 0 50 FJAA CCCCCOc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1 6398557 XINMQDPRCYFZJY-KPKJPENVSA-N 357.479 4.636 0 50 FJAA Clc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 20534832 QOJWWBMQSSAMHV-OAQYLSRUSA-N 362.864 4.692 0 50 FJAA CC(C)c1ccccc1NC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1 55061113 MBVKWFRNGUJXPA-UHFFFAOYSA-N 369.513 4.568 0 50 FJAA Cc1cc2oc(=O)cc(CN[C@@H](C)c3nc4c(s3)CCCC4)c2cc1C 65463944 SAVADIGHUSGQFV-AWEZNQCLSA-N 368.502 4.596 0 50 FJAA Cc1ncnc(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c1C 67447131 YRFVLIKNGYICBN-UHFFFAOYSA-N 374.366 4.912 0 50 FJAA COCCC[C@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 91320807 OIMDIVDAQBUDPU-QGZVFWFLSA-N 355.453 4.772 0 50 FJAA CSc1ccc(NC(=O)N2CCC(c3nccn3C(C)C)CC2)cc1 91381860 OXRJZMBLLIYEJT-UHFFFAOYSA-N 358.511 4.597 0 50 FJAA Cc1ccc(C)c2c(C)c(C(=O)N(CC3CCC3)C[C@@H]3CCCO3)[nH]c12 92078314 QERKSZUPBVLXEG-SFHVURJKSA-N 354.494 4.514 0 50 FJAA COC1(c2noc(CCCOc3cccc4ccccc34)n2)CCCC1 460801486 XBTHWJQCVCMYGJ-UHFFFAOYSA-N 352.434 4.650 0 50 FJAA Cn1c(CN2c3ccccc3OC[C@H]2c2ccccc2)nc2ccccc21 1875335684 CHRVCHHNIQNKKD-NRFANRHFSA-N 355.441 4.714 0 50 FJAA Cc1oc2ccccc2c1CN(C)C(=O)[C@@H](c1ccccc1)N1CCCC1 2325829319 GGRJOQMUMHELLJ-JOCHJYFZSA-N 362.473 4.537 0 50 FJAA COc1ccc(OC)c(NC(=O)c2ccccc2CCc2ccccc2)c1 622396 WUJMORIFCCTGQE-UHFFFAOYSA-N 361.441 4.741 0 50 FJAA biogenic COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1925879 PAIXTNZUNCKDSB-NTCAYCPXSA-N 359.425 4.926 0 50 FJAA CCCOc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 2968589 NUSMMHUZMLMAQR-UHFFFAOYSA-N 352.203 4.629 0 50 FJAA COc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 4189172 JCJFIBGGDZZQAU-GFCCVEGCSA-N 358.507 4.742 0 50 FJAA CSc1cccc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)c1 12440586 FNGJCBKOPTZKSP-UHFFFAOYSA-N 358.551 4.654 0 50 FJAA CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C1CCOCC1 12596498 DTKINLIRKMPWRU-UHFFFAOYSA-N 367.537 4.746 0 50 FJAA CC[C@H](C)c1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(C)c23)cc1 13642126 RGCQEPOFVQAQQX-JSGCOSHPSA-N 351.450 4.844 0 50 FJAA O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1c1ccc(F)cc1 35476532 UOVCKDRZIFVNOI-MRXNPFEDSA-N 363.230 4.957 0 50 FJAA c1ccc(COc2cccc(CN3CCN(c4ccccc4)CC3)c2)cc1 55292091 KEIRUANAOKQIJE-UHFFFAOYSA-N 358.485 4.588 0 50 FJAA C[C@@H](c1nc2ccccc2s1)N(C)Cc1noc(C2CCCCC2)n1 157344235 LUSVEGQFLMESPL-ZDUSSCGKSA-N 356.495 4.920 0 50 FJAA c1ccc(C23C4[C@H]5N=N[C@H]4[C@H]4[C@H]5[C@@]2(c2ccccc2)[C@]43c2ccccc2)cc1 216419126 CFTZWOUSJQYYFS-CPCOSXFCSA-N 360.460 4.906 0 50 FJAA CO[C@@H](C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 225610837 MHIWQHAJMOVQLH-OPAMFIHVSA-N 361.441 4.624 0 50 FJAA CC[C@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1ccnc(Cl)c1 253424391 FKCFYZYCGBRSTK-ZDUSSCGKSA-N 350.846 4.648 0 50 FJAA Cc1cc2cc(NC(=O)N3CCC[C@@H](c4nc(C(C)C)no4)C3)ccc2o1 299762359 VNRIKJZRYYNXTK-CQSZACIVSA-N 368.437 4.659 0 50 FJAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCCCc1ccccc1 828055647 JEJOETJDIBBWAU-UHFFFAOYSA-N 364.489 4.583 0 50 FJAA N=[S@@]1(=O)CCN(Cc2ccc(Oc3ccccc3)cc2)c2ccccc21 1875342973 BJQFKMMDSSAMLS-AREMUKBSSA-N 364.470 4.905 0 50 FJAA Fc1ccc(Br)c(F)c1CNCc1ccc2ccoc2c1 2325700258 PBWCJXUSTMYVJA-UHFFFAOYSA-N 352.178 4.763 0 50 FJAA COC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)cc1 677950 KSJLFZPAPCYSFQ-UHFFFAOYSA-N 369.804 4.947 0 50 FJAA Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)s1 1113173 PUTBSIMQIGIGOB-UHFFFAOYSA-N 366.471 4.684 0 50 FJAA O=C(NCCCN1CCCCCC1)[C@@H](c1ccccc1)C1CCCCC1 3789001 AGKAAJMNNVUNDK-QFIPXVFZSA-N 356.554 4.733 0 50 FJAA in-vitro Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(O)cc2)cc1 4170580 ACVVAKLXFYUMRB-JTHBVZDNSA-N 356.425 4.943 0 50 FJAA Cn1c(SCc2csc(C3CCCCC3)n2)nc2ccccc2c1=O 4783392 GVRKYJHAPQVIEG-UHFFFAOYSA-N 371.531 4.730 0 50 FJAA CCCCN(CC)C(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 6750041 SBWZPRKHPSJZDX-UHFFFAOYSA-N 354.475 4.666 0 50 FJAA c1ccc(CC[C@H]2CCCCN2Cc2nc(-c3cccs3)no2)cc1 12585316 WVSUSAKFWHBFHR-QGZVFWFLSA-N 353.491 4.785 0 50 FJAA COc1cccc(CN(C)Cc2nc(-c3cc(F)cc(F)c3)oc2C)c1 14980872 MCLKBMAKYHBXDL-UHFFFAOYSA-N 358.388 4.569 0 50 FJAA CC/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\CCC(=O)O 34961957 OAZUCYZBXHOCES-IJVXPCIKSA-N 362.510 4.715 0 50 FJAA in-vitro CCN(CC)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2cc(C)cc(C)c12 63871173 XQZMGPRPGPSVOQ-UHFFFAOYSA-N 364.493 4.778 0 50 FJAA O=C(c1ccoc1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67785340 WEFWYTBBZCBQDY-UHFFFAOYSA-N 369.424 4.535 0 50 FJAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3noc4c3CCCC4)c2)C1 170598121 SSJYDXWUSXTEBX-CRAIPNDOSA-N 368.477 4.901 0 50 FJAA CN1CCOc2ccc(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)cc21 175077903 ZZRHATOGLJYATG-KRWDZBQOSA-N 371.868 4.538 0 50 FJAA Cc1cc2c(cc1NC(=O)N(CCC(F)(F)F)C1CCCCC1)OCO2 183771361 MWNMQLZWGDJERV-UHFFFAOYSA-N 372.387 4.843 0 50 FJAA C[C@H](Nc1nc(C(F)F)nc2ccccc12)[C@H](c1ccccc1)N(C)C 225532930 GWRUGJNTCLOKQC-SUMWQHHRSA-N 356.420 4.671 0 50 FJAA O=C(N[C@@H]1Sc2ccccc2N=C1c1ccc(F)cc1)c1ccccc1 334161960 HYEMVXYFLNRQOK-OAQYLSRUSA-N 362.429 4.808 0 50 FJAA COc1ccccc1-c1ncc(CN2CCC3(C=C(C)CCO3)CC2)s1 1704338419 UJSVTELJFFLMHB-UHFFFAOYSA-N 370.518 4.520 0 50 FJAA CC(C)(c1ccccc1)c1ccc(OCC(=O)NC2CCCCC2)cc1 943664 LBAQYQRFYDQTKF-UHFFFAOYSA-N 351.490 4.840 0 50 FJAA CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCc1ccco1 951967 ZCHSWYMBONMXRK-UHFFFAOYSA-N 365.216 4.923 0 50 FJAA Cc1cccc(-c2noc([C@@H](C)Oc3ccc(Br)cc3)n2)c1 1116106 XARBQZANLDJJTH-GFCCVEGCSA-N 359.223 4.948 0 50 FJAA COc1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1778225 DRLTWHIATBITHD-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1ccccc1F)Nc1ccccc1-2 2911751 HSMHKPZEPAUSBN-QGZVFWFLSA-N 368.437 4.683 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)c3ccccc3Cl)C(C)C)n2)c1 4838062 SDEYLEYAQLGHJA-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OCc2ccccc2)c1 4949433 ABFZMMVXSKGMJL-UHFFFAOYSA-N 361.485 4.964 0 50 FJAA CCOC(=O)c1c(NC(=O)C(C)(C)CC)sc2c1CCCCCC2 6634653 OVZLPJIFNPEDLV-UHFFFAOYSA-N 351.512 4.959 0 50 FJAA COC(=O)C[C@H](NC(=O)c1cccc(Cl)c1)c1cccc2ccccc12 6640067 VZBJINDNFCJKIE-IBGZPJMESA-N 367.832 4.527 0 50 FJAA CC[C@H]1CCCCN1Cc1c(C)nc2ccc(Br)cc2c1O 8714158 RYINFEXOHWYTSX-AWEZNQCLSA-N 363.299 4.776 0 50 FJAA Cc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)c(C)c2c1 28292916 DKNBTAPJKNEOKV-KRWDZBQOSA-N 368.502 4.678 0 50 FJAA CN1CCCC[C@@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45284910 MOBWRRIAIHYXLB-MRXNPFEDSA-N 352.522 4.991 0 50 FJAA in-vitro COC(=O)[C@@H]1N=NC(c2ccccc2)(c2ccccc2)[C@@H]1[Si](C)(C)C 169828959 IQDSRHZDQLTFDS-QZTJIDSGSA-N 352.510 4.646 0 50 FJAA CC(C)(C)C(=O)Nc1ccncc1CN1CCCCC[C@H]1c1ccncc1 170594588 GHYBGFMJBXKYMV-FQEVSTJZSA-N 366.509 4.579 0 50 FJAA CCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2CCCC)cc1 238950642 ZFRQJCSUEYJJQM-JSJNYSNDSA-N 356.510 5.216 0 50 FJAA Cc1c(-c2ccccc2C(=O)N(C(C)C)C(C)C)c(C(F)(F)F)nn1C 426503251 JDIDOOKTRFZHDV-UHFFFAOYSA-N 367.415 4.673 0 50 FJAA C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 480086952 BQCNHSPAWNOYGQ-NTKDMRAZSA-N 357.501 4.674 0 50 FJAA CC[C@H](C(=O)NC1CCC(O)(c2ccccc2)CC1)C1CCC(C)CC1 857484897 INIKLXCHKQCHEP-UMRCGLLGSA-N 357.538 4.786 0 50 FJAA Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H]1c1ccc(CN(C)C)cc1 952963697 HXCXXXPUAGXWLD-XMMPIXPASA-N 374.532 4.579 0 50 FJAA CC1(C)CCC(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 1475167037 YWVFDDZLOJBIML-UHFFFAOYSA-N 364.338 4.629 0 50 FJAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccsc1Cl 1875342791 HCZLJRCGUPTTMU-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA O=c1n(Cc2ccc(C3CCCC3)cc2)ccn1-c1cccc(Cl)c1 2325864271 KWTIGEFOEYFSQN-UHFFFAOYSA-N 352.865 4.998 0 50 FJAA CCOC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 645885 UJJFLJJSNNOQHN-UHFFFAOYSA-N 353.205 4.814 0 50 FJAA Cc1ccc(C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1 662465 LRDYNRRPMVACDH-JOCHJYFZSA-N 364.466 4.783 0 50 FJAA Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1 689567 PMGJZNOLBOEOKH-UHFFFAOYSA-N 351.475 4.708 0 50 FJAA O=C(NC1CCCCCC1)C1CCN(Cc2cccc3ccccc23)CC1 1179402 QJTIZTPSTJMNDJ-UHFFFAOYSA-N 364.533 4.891 0 50 FJAA COC(=O)c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 2763377 MOCDLPPTEKOGDH-UHFFFAOYSA-N 363.797 4.733 0 50 FJAA c1ccc(CSc2nc3sc4c(c3c3nncn23)CCCC4)cc1 2867413 BSBYTIAORAWAOY-UHFFFAOYSA-N 352.488 4.510 0 50 FJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 5673461 AWMNRBIWNLOFTP-SIKLNZKXSA-N 360.413 4.921 0 50 FJAA COCc1ccc(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)o1 19720632 UTSHAUOQAWYAII-JOCHJYFZSA-N 367.420 4.701 0 50 FJAA COc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)on2)c1 21790859 SFLZBQINJRUKCK-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3CCc3cccs3)[nH]n2)o1 97324055 GEDDFCAQLWSKSW-OAHLLOKOSA-N 369.490 4.667 0 50 FJAA Cc1csc(CSc2nnc(-c3ccccc3Br)o2)n1 128715945 ZCJQAZOOULGEHI-UHFFFAOYSA-N 368.281 4.556 0 50 FJAA Cc1cc(CNc2nnc(SCc3ccccc3)s2)cc(Cl)n1 225516716 VVRYMIURGONDMY-UHFFFAOYSA-N 362.911 4.799 0 50 FJAA COc1ccc(-c2cccc3c(OC)c(OC)c(OC)c(OC)c23)cc1 253470590 MCINKZBGGYVVBT-UHFFFAOYSA-N 354.402 4.550 0 50 FJAA CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO 534590909 XBUYYHNRHLKZGN-UHFFFAOYSA-N 369.505 4.894 0 50 FJAA COc1cc([C@H]2CN([C@H](C)c3c(C)cc(C)cc3C)CCO2)ccc1F 2325828333 DXCBPXCMTAGLSC-DYESRHJHSA-N 357.469 4.894 0 50 FJAA O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 732146 OGHMKEWZVYTYRT-UHFFFAOYSA-N 361.626 4.768 0 50 FJAA COc1ccccc1NC(=O)c1cccc2c(Br)cccc12 847297 DIBJKCPJGKHOAA-UHFFFAOYSA-N 356.219 4.863 0 50 FJAA O=C(/C=C/c1ccc(F)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 943052 XZAQVADXJKGUMM-BJMVGYQFSA-N 356.397 4.664 0 50 FJAA CCc1ccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 950669 YVLMKWKJGWFWJF-UHFFFAOYSA-N 352.386 4.709 0 50 FJAA CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc(C(C)=O)c1C 1116572 BKTPIOJHZIHIGC-HNNXBMFYSA-N 373.474 4.568 0 50 FJAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1 1207320 XYRPAFLUBGPEPK-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA COc1ccccc1CNC(=S)Nc1ccc(Nc2ccccc2)cc1 2430626 JESQRQCVHXKEJF-UHFFFAOYSA-N 363.486 4.925 0 50 FJAA COc1ccc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)c(F)c1 12385308 JVMFENCRTHMGMX-MRXNPFEDSA-N 373.493 4.651 0 50 FJAA Fc1cccc([C@@H]2CCCCN2Cc2nc(Cc3ccccc3F)no2)c1 12387030 FTSLIDOEYXIDAO-IBGZPJMESA-N 369.415 4.666 0 50 FJAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccccc1 67821046 IHWUCIDOQGYBOX-UHFFFAOYSA-N 372.346 4.823 0 50 FJAA CC1=CC[C@H]2C(=O)N(c3ccc(Oc4cccc(C)c4C)cc3)C(=O)[C@@H]2C1 100358121 YBMWWYBARGBULY-WOJBJXKFSA-N 361.441 4.941 0 50 FJAA CN(Cc1ccc(Cl)cc1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101357779 ZQOIKQVUMIPPEV-NRFANRHFSA-N 362.860 4.866 0 50 FJAA Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 135903688 KFGVTCJOFFWGIG-SZNDQCEHSA-N 358.913 4.891 0 50 FJAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H]1c1ccc(Cl)cc1 184526388 IUVGDGCGMUTIIV-QGZVFWFLSA-N 373.888 4.806 0 50 FJAA COc1cccc(-c2ncc(CN3CCCC[C@@H]3c3cc(C)on3)s2)c1 215972877 CAKXRGMODPIQAI-LJQANCHMSA-N 369.490 4.842 0 50 FJAA C[C@H](NCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 239339007 LOSGSTOVRAKYCY-IHPCNDPISA-N 357.563 5.778 0 50 FJAA CC(C)c1nc(CNC(=O)N(Cc2cccnc2)C2CCCCC2)cs1 426578597 LTEJUTGPSVYACJ-UHFFFAOYSA-N 372.538 4.706 0 50 FJAA Cc1nn(-c2ccccc2)cc1CN1CCC[C@H]1c1ccc(CN(C)C)cc1 952963692 HXCXXXPUAGXWLD-DEOSSOPVSA-N 374.532 4.579 0 50 FJAA C[C@H](C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccnc1 2325744750 JLGLZQJOKRRUKY-ZDUSSCGKSA-N 354.793 4.631 0 50 FJAA CCOc1nccc2oc(-c3ccc(CC[C@@H](C)CC(=O)O)cc3)cc12 2325879620 AZJSYLWLRXCVNL-CQSZACIVSA-N 353.418 4.937 0 50 FJAA COc1ccccc1-n1cnc2nc3c(c(-c4ccccc4)c21)CCCC3 653317 ZSJWVGPTHGGSIH-UHFFFAOYSA-N 355.441 4.975 0 50 FJAA CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 670471 GNCMGUYHFGBRAJ-LLVKDONJSA-N 352.217 4.602 0 50 FJAA CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccncc1 818255 NWBZTGYZMGBINB-UHFFFAOYSA-N 365.289 4.959 0 50 FJAA CC(C)(c1ccccc1)c1ccc(OCC(=O)NCCc2ccccc2)cc1 943698 IHGVUYBDVMYJEV-UHFFFAOYSA-N 373.496 4.750 0 50 FJAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3cccs3)cc2)cc1 993019 IQOZRRCOTDWBEH-HNNXBMFYSA-N 365.454 4.959 0 50 FJAA CCN(CC)c1ccc([C@@H]2OC(=O)C(C)(C)C(=O)C23CCCCC3)cc1 2816969 QYSMVZAHSXYSFW-SFHVURJKSA-N 357.494 4.677 0 50 FJAA Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)ccc1Cl 2970831 NLXDOZNVBGEPKF-UHFFFAOYSA-N 372.621 4.568 0 50 FJAA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccccc1Cl 2979236 BXCZGCCMDOOOKX-UHFFFAOYSA-N 366.873 4.719 0 50 FJAA Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Oc4ccccc4)cc3)C2=O)c1 4820380 VDPUQGBOKFGFNQ-NRFANRHFSA-N 372.424 4.531 0 50 FJAA CCC1(CC)O[C@@H](c2ccc(OC)c(OC)c2OC)Nc2ccccc21 6659471 BTLLBHSIQVRVRF-FQEVSTJZSA-N 357.450 4.869 0 50 FJAA CCCCOc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1 6667512 UCHRPFCIZJMCGD-UHFFFAOYSA-N 352.522 4.805 0 50 FJAA Cc1ccc(-c2nc(CN(C)Cc3ccc4nsnc4c3)c(C)o2)s1 15065668 AVXJFCHUSADNQS-UHFFFAOYSA-N 370.503 4.657 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccc2)nc1 19857773 BVEDIORZHCTCAV-UHFFFAOYSA-N 371.362 4.965 0 50 FJAA Fc1cccc(-c2ccc(N3CCC(NCc4cccnc4)CC3)cc2)c1 19884105 IAHVIPANLSDCCD-UHFFFAOYSA-N 361.464 4.646 0 50 FJAA Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccc(O)cc1 55244537 OFTOHJHVSMHFPN-UHFFFAOYSA-N 355.821 4.587 0 50 FJAA O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccccc1-c1ncc[nH]1 97179434 BGSMYEGOQCBOQN-UHFFFAOYSA-N 351.837 4.539 0 50 FJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCCC[C@H]1CN1CCCC1 222279141 MGVOQFYAPBMWDK-QFIPXVFZSA-N 366.480 4.583 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(-c3nc(C)c(C)s3)c2)on1 299800871 VZPSIVAIAKOKSN-QGZVFWFLSA-N 367.474 4.701 0 50 FJAA CCCn1cnc2cc(NC(=O)NCc3sc(C(C)C)nc3C)ccc21 426526281 PWTBHILBVJZWHG-UHFFFAOYSA-N 371.510 4.656 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 825720098 YDVSWSLNLGOFMO-PMACEKPBSA-N 366.471 4.934 0 50 FJAA FC(F)(F)c1ccc(Cl)c(CNCc2ccccc2-n2ccnc2)c1 1473958978 QEVGOZCBZSCMLX-UHFFFAOYSA-N 365.786 4.834 0 50 FJAA CC(C)c1ccc(NC(=O)c2ccccc2I)cc1 822922 APXSURZQKZCGCL-UHFFFAOYSA-N 365.214 4.667 0 50 FJAA COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1OC 849016 YJYRCMXYRSOYTQ-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA CCOc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 943919 BPSOSAISXAOZNW-UHFFFAOYSA-N 373.758 4.775 0 50 FJAA O[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1 1024321 GKSPPTJWUTZBKR-HXUWFJFHSA-N 373.481 4.641 0 50 FJAA COc1ccc(CSc2nc3ccccc3o2)cc1Br 1122713 VOCXWNVHTMGGRS-UHFFFAOYSA-N 350.237 4.891 0 50 FJAA CCCCCCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 1807768 OFPZMOYFZBCAER-UHFFFAOYSA-N 369.461 4.750 0 50 FJAA COc1cccc(NC(=O)c2sc3ccccc3c2Br)c1 4542600 BZOQNGWLQRXXLC-UHFFFAOYSA-N 362.248 4.925 0 50 FJAA CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 71770969 LKOAALDQELDYMU-GFJXEVPCSA-N 358.522 4.898 0 50 FJAA biogenic O=C([C@@H](c1ccccc1)N1CCC[C@H]1c1cccs1)N1CCCCC1 247809018 DBSOKDODALVEDE-AZUAARDMSA-N 354.519 4.639 0 50 FJAA CC(C)Cn1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)n1 1348919714 MAGQWZBQKRRSMN-UHFFFAOYSA-N 368.525 4.556 0 50 FJAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1sccc1Cl 1875343042 OCFYFBRJJGGQBT-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA COc1cccc(C2(NC(=O)c3cccc4cccc(OC)c34)CCC2)c1 2325829453 KLMKZYPENPTUGN-UHFFFAOYSA-N 361.441 4.666 0 50 FJAA CCc1ccc(C(=O)NCc2ccccc2-c2cccc(C(=O)O)c2)s1 2325851636 FKUXSVMZHPAERH-UHFFFAOYSA-N 365.454 4.606 0 50 FJAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1Cl 1111940 OOPUCXPKOTVEMQ-LLVKDONJSA-N 368.235 4.879 0 50 FJAA O=C(c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(F)(F)F 2488076 OYDYKDFIYWBWRW-UHFFFAOYSA-N 351.299 4.604 0 50 FJAA CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 2789275 WAYCWJWMTLDOOS-UTKZUKDTSA-N 355.478 4.737 0 50 FJAA c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 12039560 LMMKBNXBWCWDKV-CVDCTZTESA-N 370.408 4.658 0 50 FJAA O=C1CC[C@@H]2CN(CCCc3ccccc3)CC[C@@H]2N1CC1CCCCC1 12328549 IYGNZRPSEHCRET-PKTZIBPZSA-N 368.565 4.512 0 50 FJAA CC(C)=CC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67833352 WFPJUCZLZINOOT-UHFFFAOYSA-N 358.441 4.860 0 50 FJAA CC(C)(C)OC(=O)N1CCC2(CCc3ccc(Br)cc32)CC1 91302751 CDHOLYWZXHSSIC-UHFFFAOYSA-N 366.299 4.664 0 50 FJAA in-vitro O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 101855788 HNTNZADMSPDNEK-MBZVMHRFSA-N 367.832 4.668 0 50 FJAA C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(Cl)cc1Cl 169308085 YBFUUMBZJISEEE-AFGYVCNOSA-N 368.304 4.502 0 50 FJAA C[C@H](C(=O)NCc1ccsc1Br)c1cc2ccccc2o1 225756997 RUFVNKLJZTZVSB-JTQLQIEISA-N 364.264 4.677 0 50 FJAA CN(C)c1ccc(Cl)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 248121004 NDQBAOJPECZKGK-UHFFFAOYSA-N 356.775 4.606 0 50 FJAA c1ccc([C@@]23[C@H]4[C@H]5N=N[C@H]4[C@H]4[C@H]5[C@]2(c2ccccc2)[C@]43c2ccccc2)cc1 253588432 CFTZWOUSJQYYFS-WNLHOBIWSA-N 360.460 4.906 0 50 FJAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2[C@@H](C)O)C1 257356886 KXWWWRVUYQUXMN-GQVMGCJASA-N 360.538 4.878 0 50 FJAA O=C(O)c1ccccc1CC1CCN(C(=O)CC2CCCCCC2)CC1 262914013 FOVXUSVJTWKCQM-UHFFFAOYSA-N 357.494 4.526 0 50 FJAA CC[C@@H](NC(=O)c1cccc(-c2ccc(SC)cc2)c1)c1nc(C)no1 299777475 MZQCVABZVWFMKG-GOSISDBHSA-N 367.474 4.648 0 50 FJAA O=C(Nc1cccc(Cc2ccccc2)c1)N(CC1CC1)C[C@H]1CCCO1 299779500 OPBAKKWMZYOJLT-JOCHJYFZSA-N 364.489 4.700 0 50 FJAA Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cc(C(C)C)no1)CC(C)(C)O2 584895077 IRHFSKQRDVRMKP-GOSISDBHSA-N 371.481 4.550 0 50 FJAA O=C(Cc1ccc2ccccc2c1)NCc1ccccc1-c1cccnc1 1875338727 JEMRYZNFXROFPW-UHFFFAOYSA-N 352.437 4.761 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 872093 ARCJTCXIQFJWDK-UHFFFAOYSA-N 369.808 4.507 0 50 FJAA Brc1csc(CN2CCC(Cc3ccccc3)CC2)c1 4990318 RADOWZAQXFZLBA-UHFFFAOYSA-N 350.325 4.965 0 50 FJAA Cc1cc(OCCCCn2cnc3ccccc3c2=O)cc(C(C)C)c1 6477223 YRLNGURPVIVNBN-UHFFFAOYSA-N 350.462 4.688 0 50 FJAA Cc1ccc(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)s1 11878676 WWPYKJRLCGXRSZ-UHFFFAOYSA-N 360.542 4.582 0 50 FJAA O=C(c1cc2ccccc2s1)N1CCC[C@@H](Nc2cccc(F)c2)C1 12299214 ZOZQRYGPRPRAEH-QGZVFWFLSA-N 354.450 4.757 0 50 FJAA CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13330123 DWXNGYWKJGBUKG-LJQANCHMSA-N 359.878 4.923 0 50 FJAA C[C@H](Cc1cccnc1)NC1CCN(c2cccc(-c3ccccc3)c2)CC1 63855282 HONLOUBAMIBSFY-HXUWFJFHSA-N 371.528 4.938 0 50 FJAA Cc1cc(CNC(=O)c2cc(C)no2)c2[nH]c(-c3ccccc3)c(C)c2c1 71762468 MWMBRWDHGHDKAT-UHFFFAOYSA-N 359.429 4.678 0 50 FJAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCCC[C@@H]3c3cccnc3)c2c1 72480899 YMAYMPUXSVVCSB-OAQYLSRUSA-N 359.473 4.922 0 50 FJAA O=C(c1cc(-c2ccccc2)on1)N(Cc1ccsc1)C1CCCC1 77407819 GCCBAGHYIAQYDL-UHFFFAOYSA-N 352.459 4.988 0 50 FJAA Cn1cncc1-c1noc(-c2ccc(Sc3ccc(Cl)cc3)o2)n1 445566540 YQKKPGHTWODAIL-UHFFFAOYSA-N 358.810 4.535 0 50 FJAA O=C(NCCC1CC1)c1cccnc1Sc1cccc(C(F)(F)F)c1 1875260837 KGBVNXFTJAQGBR-UHFFFAOYSA-N 366.408 4.782 0 50 FJAA N=c1[nH]c(-c2ccc(F)cc2)c(NC(=O)c2cccc3ccccc23)s1 2050025142 VXFBSOHDRFBCCH-UHFFFAOYSA-N 363.417 4.767 0 50 FJAA CCOc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1 888718 WTLDSVCAKCIART-UHFFFAOYSA-N 374.491 4.676 0 50 FJAA COc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1OC 1054134 FDEBWLKFDOSWLA-UHFFFAOYSA-N 362.429 4.615 0 50 FJAA O=C(CCc1ccccc1)Nc1nnc(SCc2ccccc2F)s1 1114464 PGXULAQNRUGZHX-UHFFFAOYSA-N 373.478 4.541 0 50 FJAA Cc1sc2ncnc(SCC(=O)c3ccc(Cl)s3)c2c1C 1162332 NRMDVJZKLINFIA-UHFFFAOYSA-N 354.909 4.998 0 50 FJAA O=C(NCCCN1CCCCCC1)[C@H](c1ccccc1)C1CCCCC1 3995628 AGKAAJMNNVUNDK-JOCHJYFZSA-N 356.554 4.733 0 50 FJAA in-vitro COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)cc1OC 5670894 DJLXRKXGQZCMRD-SFHVURJKSA-N 364.445 4.518 0 50 FJAA COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1 14982453 VHKBTPQDHDSBSP-UHFFFAOYSA-N 357.793 4.870 0 50 FJAA in-vivo COCC1(C(=O)Nc2ccccc2SCc2ccccc2F)CCC1 55132152 ISMGUUBDJUUVLR-UHFFFAOYSA-N 359.466 4.873 0 50 FJAA O=C(Nc1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 55145432 ZAGMCMBNANOEPJ-JXMROGBWSA-N 371.484 4.703 0 50 FJAA CC(=O)c1ccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 132646850 PIFMNLTVNUEDLB-UHFFFAOYSA-N 362.216 4.858 0 50 FJAA C[C@H](NC(=O)CN(C)[C@H]1CCCc2ccccc21)c1cc2ccccc2o1 239310132 IEZHWEMEHSASTR-JXFKEZNVSA-N 362.473 4.619 0 50 FJAA Cc1ccc(C2=NN3[C@H](C(=O)c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 239331377 KNUFSHCWERZOMD-QPPBQGQZSA-N 368.436 4.748 0 50 FJAA aggregator COCc1c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)sc2cccc(F)c12 252672132 PIESROBNAILTCG-MELADBBJSA-N 361.482 4.885 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)on1 426599028 WNWRKDLLXVFOGV-FQEVSTJZSA-N 374.440 4.562 0 50 FJAA Fc1cc2c(c(CSc3cnccn3)c1)O[C@H](c1ccccc1)OC2 1875261566 POAOSEUBZUXMCO-LJQANCHMSA-N 354.406 4.516 0 50 FJAA C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cc(F)ccc1F 2325728441 RERXXPSODKGUPH-AWEZNQCLSA-N 365.379 4.687 0 50 FJAA Fc1ccc(C2=CCN(C3CCN(CCc4ccccc4)CC3)CC2)cc1 756655 HOLNBUDYPVVHGO-UHFFFAOYSA-N 364.508 4.622 0 50 FJAA COc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc(OC)c1 1121789 BSLQVYIHIHHEOA-UHFFFAOYSA-N 357.262 4.820 0 50 FJAA Cc1cc(C)c(CSc2nnc(COc3ccccc3C)n2C)c(C)c1 1142446 HFIIIHFCGCUMQC-UHFFFAOYSA-N 367.518 4.920 0 50 FJAA O=C(c1cccs1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 4512601 AADNSDXITLPOPH-UHFFFAOYSA-N 367.474 4.773 0 50 FJAA Cc1cc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)c(C)c1Br 4833588 LQOUMWIFUQKXSV-STQMWFEESA-N 368.315 4.543 0 50 FJAA Cc1ccc(CCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1 5049905 NMTHQBBNXYCAFN-UHFFFAOYSA-N 363.482 4.897 0 50 FJAA CCC[C@H](c1nccn1C)n1cnc(-c2ccccc2)c1-c1ccncc1 65380723 URPZBFMSSTUNJZ-LJQANCHMSA-N 357.461 4.735 0 50 FJAA Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(C)c1 67675904 CAZLWNDDJRELSG-SFHVURJKSA-N 364.272 4.824 0 50 FJAA Cc1cc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)no1 142564476 ASGSDHLXOWENFK-UHFFFAOYSA-N 360.335 4.599 0 50 FJAA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 143015166 OJXVAOKMXYGESR-DSIZOQBWSA-N 374.267 4.785 0 50 FJAA 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 253612513 UHRMATMIZQHEIP-ZTMHAQLSSA-N 374.521 4.670 0 50 FJAA CCCSc1ccc(NC(=O)N(C)Cc2noc(C3CCC3)n2)cc1 299788504 PYYQUEJEJYBYFE-UHFFFAOYSA-N 360.483 4.503 0 50 FJAA C[C@@H]1Oc2c(cccc2C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)N=C1O 328786610 KVNWHHGXUJRAOJ-BMGDILEWSA-N 374.440 4.516 0 50 FJAA CCOc1ccccc1[C@@H](CC)NC1CCN(CCC(F)(F)F)CC1 463112787 LWNXOUWYIDWYMM-QGZVFWFLSA-N 358.448 4.543 0 50 FJAA CC(C)c1nc(CN[C@H](CCc2cc(F)cc(Cl)c2)C2CCC2)no1 1772804031 CZZZAXHTCAVHNG-QGZVFWFLSA-N 365.880 4.877 0 50 FJAA c1ccc(-c2nsc3c(NCC4Cc5ccccc5C4)ncnc23)cc1 1875311076 MADRGYQLKICXCF-UHFFFAOYSA-N 358.470 4.580 0 50 FJAA O=C(/C=C/c1ccccc1Br)NCc1ccc2ccoc2c1 2325735862 YZEOAGOZDFKDLO-BQYQJAHWSA-N 356.219 4.525 0 50 FJAA O=C(COc1cccc(Cl)c1)Oc1ccc(OCc2ccccc2)cc1 959373 QCKGSCWZBGNNNV-UHFFFAOYSA-N 368.816 4.903 0 50 FJAA O=C(O)CCC(=O)Nc1ccc(Oc2ccccc2-c2ccccc2)cc1 993185 VCKMAVWNXCUQNP-UHFFFAOYSA-N 361.397 4.949 0 50 FJAA CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 993599 PYDYAKGQGAWWRA-SUMWQHHRSA-N 354.479 4.527 0 50 FJAA COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c1 1052601 NUSXBGRPLPWLHO-UHFFFAOYSA-N 361.353 4.518 0 50 FJAA CN(C)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1119819 HVNJNSQCCRGXJG-JOCHJYFZSA-N 359.425 4.534 0 50 FJAA COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(C)cc3)sc2C)c1 1180336 VGYOVDWIOUBHOZ-UHFFFAOYSA-N 368.458 4.696 0 50 FJAA CCOC(=O)c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 1181217 JJUUQXCYSNBTDO-UHFFFAOYSA-N 373.408 4.740 0 50 FJAA O=C(Nc1ccccc1F)Nc1cn(-c2ccccc2)nc1-c1cccnc1 4839001 KYGIROWVJSKZBF-UHFFFAOYSA-N 373.391 4.717 0 50 FJAA CC(C)SCCCCCOc1ccc(I)cc1 4949063 DPOQUZCZPUAJEN-UHFFFAOYSA-N 364.292 4.982 0 50 FJAA COc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 5520693 IYSYPOXGHJPQDF-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA CC(=O)c1cc(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 72163385 DQQRSJMSPKVXOE-HXUWFJFHSA-N 356.535 4.740 0 50 FJAA CCCC[Sn](CCCC)(CCCC)c1cnccn1 169745192 OVBXTKIWZAHFAC-UHFFFAOYSA-N 369.141 4.533 0 50 FJAA COc1ccc(Cl)cc1-c1cccc(C(=O)N(C)CC2CCOCC2)c1 299781060 DBRRUOVBWGJSJL-UHFFFAOYSA-N 373.880 4.514 0 50 FJAA c1ccc2oc([C@@H]3CCCN(Cc4ccc(-c5cc[nH]n5)s4)C3)nc2c1 952960405 SHWPGPLQIGQKNY-CQSZACIVSA-N 364.474 4.659 0 50 FJAA COc1cc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)sn1 1875328632 CNFRJXABLNDYOC-CYBMUJFWSA-N 354.479 4.525 0 50 FJAA C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(OCC2CC2)c2ccccc2n1 1875357219 XKZCGTRRNQKAAY-QRQCRPRQSA-N 352.478 4.722 0 50 FJAA Cc1cccc(NC(=O)CSCc2ccccc2Br)c1C 1112277 IYDRQRLIQIBAFV-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1CCCC2 1116224 LLLYBYSNTNRRPC-CYBMUJFWSA-N 374.278 4.734 0 50 FJAA O=C(OCc1ccccn1)c1cccc(COc2ccccc2Cl)c1 1142432 OBNSRPBXCXVGKD-UHFFFAOYSA-N 353.805 4.671 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)c1C 1215724 MNYZDHGRHZGAOP-UHFFFAOYSA-N 358.441 4.737 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1I 1232650 DKASBBARZWTZBK-UHFFFAOYSA-N 372.593 4.589 0 50 FJAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Cl)cc2)o1 2319444 IMWJGOCDBDRQTA-UHFFFAOYSA-N 355.777 4.624 0 50 FJAA COc1cc(CO)cc(Br)c1OCc1cccc2ccccc12 2818644 NERBAZAQRULPOX-UHFFFAOYSA-N 373.246 4.682 0 50 FJAA Cc1ccccc1OCCSc1nc2ccc(Br)cc2[nH]1 2917069 YYUVEGHINORQCS-UHFFFAOYSA-N 363.280 4.805 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1C 2978794 LELHKZGVSQQFMS-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA CN(Cc1cccs1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 12466217 SEZJURVFYAGFPC-GOSISDBHSA-N 362.970 4.788 0 50 FJAA Cc1ccccc1Oc1ncccc1CNCc1cccn1-c1cccnc1 15072417 XQRRNUUIJKZNIX-UHFFFAOYSA-N 370.456 4.658 0 50 FJAA Clc1ccc(Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)s1 23398788 VTGCBHHQHATGFY-UHFFFAOYSA-N 352.850 4.770 0 50 FJAA CC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H]1C 426484463 MPXWOAZCMKXUFC-HNNXBMFYSA-N 374.887 4.701 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3C[C@H]4CCC[C@H](C4)C3)cc2)c(OC)c1 426647008 HFTBRCBIAXGGHF-CALCHBBNSA-N 365.473 4.633 0 50 FJAA COc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OCc1ccccc1 951234 HBJSQQLLGUNSKG-FYWRMAATSA-N 365.473 4.736 0 50 FJAA Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 1057589 BXWVWVQKDGAZSF-UHFFFAOYSA-N 368.296 4.682 0 50 FJAA Cc1c(C(=O)Nc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1 1067701 KJCJDBFVUCHNOK-UHFFFAOYSA-N 356.425 4.956 0 50 FJAA C[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 1070001 JYYCLFPBTYZJGO-JTQLQIEISA-N 374.223 4.691 0 50 FJAA OCc1cn(-c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl 2544765 MBXGOEHMXOTBRS-UHFFFAOYSA-N 353.636 4.992 0 50 FJAA S=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 2982187 QLVRCPDRCDCLNO-UHFFFAOYSA-N 366.317 4.512 0 50 FJAA CCCCOc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 10156092 KBECYWUBMRHTMQ-IBGZPJMESA-N 369.461 4.676 0 50 FJAA O=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(Cl)c1 13122568 GKJCLMZSRUKVRR-VMPITWQZSA-N 351.833 4.512 0 50 FJAA COc1ccc(C)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 17070365 KXOPIRSUAYWJKH-UHFFFAOYSA-N 374.440 4.817 0 50 FJAA Cc1cc(-c2cccc(-c3ccn(Cc4ccccn4)n3)c2)nc(C(C)C)n1 20600870 GNGWCLMYDLHFNM-UHFFFAOYSA-N 369.472 4.882 0 50 FJAA C[C@@H](c1cnn(C)c1)n1cnc(-c2ccccc2)c1COCc1ccccc1 65435170 LFDHZYUDGCCJNV-SFHVURJKSA-N 372.472 4.610 0 50 FJAA COc1ccc(Cl)cc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 71479382 UPMSUMOXKDQOGD-UHFFFAOYSA-N 364.836 4.899 0 50 FJAA COc1ccc2ccc(OC(=O)C[C@H]3OCCc4ccsc43)cc2c1 170621030 CRCNJORKFNMYRM-GOSISDBHSA-N 354.427 4.519 0 50 FJAA O=C(CCCc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1ncc[nH]1 185117132 VWEGAFHAEMHBEY-INIZCTEOSA-N 365.399 4.505 0 50 FJAA Cc1noc(C)c1-c1ccc(OC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 239366872 AGMCRXBUHDNWJT-FUHWJXTLSA-N 369.367 4.946 0 50 FJAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cc(-c2ccccc2Cl)oc1C 1857679313 TWVSSOAJRNNOHP-ZKYUUJBMSA-N 373.880 4.674 0 50 FJAA COc1ccc([C@H](CC(C)C)NC[C@H](CO)Cc2ccccc2C)cc1 2325842187 QQYRAXINNZTDOV-XXBNENTESA-N 355.522 4.532 0 50 FJAA CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2 679887 KQCLKNROCRNTHL-DHZHZOJOSA-N 373.449 4.593 0 50 FJAA COc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 856329 HPRSNPGGVONAIP-UHFFFAOYSA-N 350.399 4.669 0 50 FJAA O=C(Nc1ccccc1)c1ccc(OC(=O)c2cc3ccccc3o2)cc1 950496 SPZPHEWTUIISPA-UHFFFAOYSA-N 357.365 4.904 0 50 FJAA Cc1cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc(C)c1Cl 1217865 YWHJUNYGVFGURM-UHFFFAOYSA-N 371.908 4.817 0 50 FJAA COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cn1 1422697 KCBBMFKALUMNDX-UHFFFAOYSA-N 350.443 4.635 0 50 FJAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H]1c1cccnc1 32462846 RTRSWWPZEZYBGI-KRWDZBQOSA-N 352.821 4.972 0 50 FJAA O=C(c1ccccc1-c1ncc[nH]1)N(Cc1cccnc1)C1CCCCCC1 55255807 HGIBOGNPLVBKRR-UHFFFAOYSA-N 374.488 4.837 0 50 FJAA CSc1ccc(CN(C)N2C(=O)[C@H](c3ccccc3)c3ccccc32)cc1 71767373 PYXHGRHBMACKMU-JOCHJYFZSA-N 374.509 4.934 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)cc1 77540416 LUELDAUWANZWEM-HXUWFJFHSA-N 374.887 4.908 0 50 FJAA COc1ccc2c(c1)cc(C(=O)N(Cc1ccsc1)CC(C)C)n2C 91725712 GUMZPINNZZBAEY-UHFFFAOYSA-N 356.491 4.547 0 50 FJAA COC(=O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@H]1C(=O)c1ccccc1 239432819 WNYHDIOZNFFNJJ-DOIPELPJSA-N 352.474 4.965 0 50 FJAA biogenic O=C1CCc2c1cccc2C(=O)N1CCCC[C@@H]1CCc1cccs1 952988600 NIXXCJPZZHEBDI-OAHLLOKOSA-N 353.487 4.505 0 50 FJAA COCC1(CCNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CCCC1 1875356919 RRVKTQSPABGMPH-UHFFFAOYSA-N 356.510 4.792 0 50 FJAA Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1 897307 OPKRNMKWRPFNAK-UHFFFAOYSA-N 358.470 4.930 0 50 FJAA O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1 1000847 SDEDQRQMMFKOCL-UHFFFAOYSA-N 364.207 4.630 0 50 FJAA COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccco1 1063749 CKBZIBJGUDOWEC-UHFFFAOYSA-N 350.399 4.817 0 50 FJAA COc1ccc(Br)cc1CNc1ccc(Br)cc1 1197798 MUMOGIIZMIKMIV-UHFFFAOYSA-N 371.072 4.832 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)no1 21718964 OMMBREBEFPJIDZ-QGZVFWFLSA-N 357.454 4.811 0 50 FJAA CC[C@H](C(=O)CCCC(=O)Nc1c(C)cccc1C)C(=O)c1ccccc1 25574361 NBCQWTOYNKVSRQ-LJQANCHMSA-N 365.473 4.890 0 50 FJAA COc1ccc(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)c2ccncc2)cc1 173145597 PFLNPVKULXMGGV-XZOQPEGZSA-N 372.468 4.736 0 50 FJAA CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](OCC)[C@](C)(O)CC1 202695113 HRAUOPAWWNBNRN-FYYLOGMGSA-N 374.521 4.999 0 50 FJAA biogenic,in-vitro c1ccc(-c2nnc(CN3CCCC[C@H]3CCc3cccs3)o2)cc1 1529153844 WAWMFLCUORJUSD-KRWDZBQOSA-N 353.491 4.785 0 50 FJAA CCCC[C@@H](O)CC(=O)Nc1ccc(Oc2ccccc2)c2cccnc12 1875341363 QETGSRHHHDIXRJ-MRXNPFEDSA-N 364.445 4.907 0 50 FJAA Cc1ccc(C(=O)N[C@@H](Nc2cc(C)ccc2C)C(=O)c2ccccc2)cc1 622986 OZXBHLUWCIZRHU-HSZRJFAPSA-N 372.468 4.663 0 50 FJAA CC(C)COc1ccc([C@@H](O)[C@H](CN2CCCC2)c2ccccc2)cc1 753525 YCJYBYTUTWAFAD-DHIUTWEWSA-N 353.506 4.634 0 50 FJAA COc1ccc(Nc2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1 778838 NGNZEVGMUXWUBL-UHFFFAOYSA-N 361.445 4.613 0 50 FJAA O=C(CSCc1ccccc1Cl)Nc1ccccc1Br 786567 VBKKHARCWBGXOI-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 1150896 DMSUUOJIXHETBO-UHFFFAOYSA-N 373.275 4.754 0 50 FJAA CC(C)(C)NCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 4859443 DNBDAAVJXJHADK-UHFFFAOYSA-N 366.896 4.998 0 50 FJAA Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccccc4O)nc3c12 6764195 YKUPBHLPBNDRTD-UHFFFAOYSA-N 361.449 4.574 0 50 FJAA Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](OCc2ccccc2)C1 12314817 RCWCNYJRTRFYNV-IBGZPJMESA-N 368.502 4.893 0 50 FJAA Cc1ccccc1[C@@H]1CCCN(Cc2nc(CCc3ccccc3)no2)C1 19638113 AIZYVUDKMIAQRX-HXUWFJFHSA-N 361.489 4.543 0 50 FJAA O=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71613811 SZYFFRVDPQCGHS-LJQANCHMSA-N 372.468 4.864 0 50 FJAA CCn1ccnc1[C@@H]1CCCN(c2nc3c(C)ccc(F)c3cc2C)C1 91643462 OVTKHPNTGHVXKX-MRXNPFEDSA-N 352.457 4.591 0 50 FJAA Cc1ccc(F)c(C(=O)N[C@H](C)c2cnn(-c3ccccc3)c2C)c1Cl 91997775 FQEPDJZQOLWHRW-CYBMUJFWSA-N 371.843 4.773 0 50 FJAA COc1ccc2c(c1)cc(C(=O)N1CCCCC[C@@H]1c1ccco1)n2C 97217395 ARNHZRHOQMKDKG-GOSISDBHSA-N 352.434 4.537 0 50 FJAA CC1(C)c2ccccc2CCN1C(=O)CCc1ncc(-c2ccccc2)o1 170591605 IVLNWGXNTNCYEH-UHFFFAOYSA-N 360.457 4.594 0 50 FJAA CC[C@@H](O)c1nccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 225654926 GYHARCOEELHSMB-CQSZACIVSA-N 367.396 4.517 0 50 FJAA Cc1ccc(OCCN(C)C(=O)c2cccc(-c3cc(C)cc(C)n3)c2)cc1 299801052 XHWCWRNBAZXGII-UHFFFAOYSA-N 374.484 4.825 0 50 FJAA CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2Cl)C1 464772949 JUNCLLZLBHYPGL-OLZOCXBDSA-N 361.338 4.538 0 50 FJAA Cc1noc2ncc(NC(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)cc12 471414959 FEFXZEWSOTUICY-QMMMGPOBSA-N 350.205 4.580 0 50 FJAA CC[C@H](NC(=O)c1snc2ccccc12)c1nc(C(F)(F)F)cs1 1875320923 NMENUPFMRKHHDR-VIFPVBQESA-N 371.409 4.653 0 50 FJAA Cc1ccc(-c2cc(C(=O)NCc3noc(-c4ccccc4)c3C)on2)cc1 2325819137 UXHJWNJAVAKPJE-UHFFFAOYSA-N 373.412 4.543 0 50 FJAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1 657425 WFEPLUJSPNQCKX-ACCUITESSA-N 359.381 4.860 0 50 FJAA C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Br)cc1 972325 KUUICDIXVGLFJA-LBPRGKRZSA-N 350.281 4.710 0 50 FJAA CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3C)s2)cc1 1168703 WZGTVMJMXJJIKX-UHFFFAOYSA-N 354.435 4.556 0 50 FJAA CCc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 1183383 YOHJJWWEZWMNOK-UHFFFAOYSA-N 364.470 4.538 0 50 FJAA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1Br 1185846 YMURXBACFGOVKR-UHFFFAOYSA-N 359.267 4.692 0 50 FJAA CCOc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 2534502 ZROHCIIRJKRMCU-QGZVFWFLSA-N 364.850 4.557 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1cc(Cl)ccc1Cl 2984111 HJHDFNOEIMOXHS-UHFFFAOYSA-N 371.260 4.785 0 50 FJAA COc1cccc(OCCCOc2c(C)cc(C)cc2Br)c1 2994737 GSZSKTAFWDIZCC-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA S=c1sc(SCc2ccc3nsnc3c2)nn1-c1ccccc1 4783698 BPOUGPCOXSKTDW-UHFFFAOYSA-N 374.541 4.960 0 50 FJAA Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 12307257 MIFDVTAQCYDHCC-HXUWFJFHSA-N 367.880 4.552 0 50 FJAA Cc1nc(Cn2ccc(-c3cccc(-c4cncc5ccccc45)c3)n2)no1 23479232 GXFFSGCQRQJDJY-UHFFFAOYSA-N 367.412 4.505 0 50 FJAA CCC(=O)NCc1ccccc1-c1ccc([C@@H](C)N2CCCCC2)cc1 96130758 FDJYYFFDBLRHPD-GOSISDBHSA-N 350.506 4.927 0 50 FJAA CCSc1nc2ccc(NC(=O)N3CCC[C@@H]3c3cc(C)no3)cc2o1 97642158 KTWGKIFQMOQARE-CQSZACIVSA-N 372.450 4.605 0 50 FJAA CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H]1CO1 144743964 RNEWHVGIIQSAAL-MOPGFXCFSA-N 365.395 4.546 0 50 FJAA O=C(c1ccccc1C(F)(F)F)N1CCCC[C@H]1CCc1ccccn1 218881313 OIBCFGLGYYPTGK-INIZCTEOSA-N 362.395 4.728 0 50 FJAA O=C(Nc1cccc2ccccc12)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239415359 UFQISGODMCVDRI-RXYDEIHYSA-N 374.311 5.634 0 50 FJAA COc1cc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C)c1C 253420412 VBKVJCZSDLXODD-UHFFFAOYSA-N 369.852 4.916 0 50 FJAA CCCCNC(=O)Nc1ccnc(Oc2ccccc2Br)c1 438374246 FMPAMLNRWPTKBM-UHFFFAOYSA-N 364.243 4.558 0 50 FJAA COC[C@@H](C)NC(=O)c1cccc(-c2ccc(-c3csc(C)n3)s2)c1 534653762 LSJUBDXKADDPGP-GFCCVEGCSA-N 372.515 4.612 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1ccccc12 633138 HCXLJBSXZFKHJO-UHFFFAOYSA-N 361.372 4.639 0 50 FJAA CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 717913 KJWBNXFFAJFKBF-UHFFFAOYSA-N 360.262 4.501 0 50 FJAA CC(=O)c1c(C)n(CCOc2ccc(Cl)cc2C)c2ccc(O)cc12 719875 RBEYCLVLKQIJNC-UHFFFAOYSA-N 357.837 4.899 0 50 FJAA biogenic,in-vitro Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccs1 1198001 WOLXJEANCDLTKB-UHFFFAOYSA-N 368.849 4.696 0 50 FJAA Cc1ccc(OCCOc2ccc3oc(-c4ccco4)cc(=O)c3c2)cc1 1978223 WLWHRUBRQMRUNH-UHFFFAOYSA-N 362.381 4.819 0 50 FJAA O=c1c2ccccc2ncn1CCCCOc1cc(Cl)ccc1Cl 2863153 XHUXVHFFEVVWAU-UHFFFAOYSA-N 363.244 4.563 0 50 FJAA COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1 4413558 WQKKJLNOWMZBOW-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA O=C(O)c1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 4839166 FZXHDTZHKDETFX-UHFFFAOYSA-N 351.333 4.569 0 50 FJAA COC[C@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C 12704676 XYHSXYRWTIPEBD-MRXNPFEDSA-N 368.399 4.670 0 50 FJAA CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 15636556 UIKWUKBEVVRXEX-UHFFFAOYSA-N 372.424 4.702 0 50 FJAA Cc1oc(-c2cccs2)nc1CN(C)Cc1cc(-c2ccccc2)on1 19595220 BCGMRBFBLBUEQX-UHFFFAOYSA-N 365.458 4.999 0 50 FJAA Cc1cc(C)cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 67847192 JAUYEFPVGUDUCC-SFHVURJKSA-N 364.272 4.824 0 50 FJAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2c1 77342462 XDFFOHRNVSBGAD-QFIPXVFZSA-N 359.473 4.778 0 50 FJAA O=C(c1ccc([C@H]2CCCO2)s1)N(Cc1ccc2[nH]ccc2c1)C1CC1 91504791 QIFLFIYFAGGJPU-GOSISDBHSA-N 366.486 4.886 0 50 FJAA Cc1noc2ncc(C(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)cc12 177537755 KMCMJKYPCUSOAB-TZZQJPOUSA-N 361.445 4.629 0 50 FJAA Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 242738608 DELZNOABIOCCRU-UHFFFAOYSA-N 350.654 4.756 0 50 FJAA c1ccc(-c2cnc([C@H]3CCCCN3c3nc(C4CC4)ns3)[nH]2)cc1 329178063 CLOQRBMETQXCIE-MRXNPFEDSA-N 351.479 4.537 0 50 FJAA CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2Cl)C1 464770424 KHGHHFMBWFEACC-OLZOCXBDSA-N 361.338 4.538 0 50 FJAA Cc1cccc(N2CC[C@@H](NC(=O)c3cc(-c4ccccc4)oc3C)C2)c1 1875340656 LVDILBUWQQSEPT-LJQANCHMSA-N 360.457 4.572 0 50 FJAA CC[C@@H](C)Oc1cccc(NC(=O)c2ccccc2N2CCCCC2)n1 2325872102 HYSGTIKKROWYOT-MRXNPFEDSA-N 353.466 4.502 0 50 FJAA O=C(COc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 682199 NRKMGDQWAVWEME-UHFFFAOYSA-N 365.816 4.589 0 50 FJAA COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1 872684 NGAXIQCCJDXSHK-UHFFFAOYSA-N 374.469 4.630 0 50 FJAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cl)cc1 1006316 LQSRHWRAPVUCFB-UHFFFAOYSA-N 356.853 4.655 0 50 FJAA CCN(CC)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 1135339 SXJZFVBAKKDBGH-CYBMUJFWSA-N 367.518 4.623 0 50 FJAA CCOc1ccc(-c2nc(NC(=O)c3ccc(F)cc3)sc2C)cc1 1186522 QONYCHZKXNVAFX-UHFFFAOYSA-N 356.422 4.909 0 50 FJAA COc1cc(OC)c(CNc2ccc(F)c(Cl)c2)cc1Br 1229382 MTBNBIWDBVZDGC-UHFFFAOYSA-N 374.637 4.871 0 50 FJAA CCc1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 1421540 TXVOZLRDRMSRSO-UHFFFAOYSA-N 362.267 4.646 0 50 FJAA C/C(=C\c1ccccc1)CN1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 4725580 KKKWPCQEYDOALJ-LFNFIXQYSA-N 362.517 4.679 0 50 FJAA C[C@@H](NC(=O)c1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1 8611416 IDQKEVANZICPIN-MRXNPFEDSA-N 356.425 4.910 0 50 FJAA CN1/C(=C\C(=O)Nc2ccc(Br)cc2)C(C)(C)c2ccccc21 17526635 XDMWKFOUIVOEDL-ATVHPVEESA-N 371.278 4.699 0 50 FJAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 20615825 DKPMMTYZLMYSTA-UHFFFAOYSA-N 357.282 4.738 0 50 FJAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 72433253 IDMAKAHLSRTXHG-FQEVSTJZSA-N 355.453 4.507 0 50 FJAA CCCOc1ccc([C@@H](C)NC(=O)C2(SC)CCC2)cc1OCCC 170615739 MOKVAOKYJUQKDQ-OAHLLOKOSA-N 365.539 4.727 0 50 FJAA CCC(CC)(C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 226779859 DELOTLKBJZLDBB-UHFFFAOYSA-N 367.445 4.511 0 50 FJAA COc1ccsc1CNc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C 241126184 JKDKQDAENMMABU-HNNXBMFYSA-N 358.507 4.692 0 50 FJAA Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(-c4ccc(C)nn4)cc3)C2)c1 426651356 PBWVOYWFPUANJR-JOCHJYFZSA-N 371.484 4.780 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)OCCC2=O)C(C)C 534588317 MJRFJTHKAOOBJB-UHFFFAOYSA-N 351.446 4.578 0 50 FJAA C[C@@H](NC(=O)c1ccc2c(ccn2C)c1)c1ccc(-c2cccnc2)cc1 1875303299 LVIOPECWKXYRER-MRXNPFEDSA-N 355.441 4.731 0 50 FJAA Clc1ccccc1CN1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 2084329481 OYDDZWFFPLONRU-SEIRJHJZSA-N 356.941 4.735 0 50 FJAA Cc1cc(CCC(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)on1 2325820181 DHMOFPJULPQWFF-UHFFFAOYSA-N 367.276 4.504 0 50 FJAA O=C(Nc1ccc2c(c1)OCO2)[C@H](Sc1ccccc1)c1ccccc1 657514 UCEAPXNWLSHJSI-HXUWFJFHSA-N 363.438 4.887 0 50 FJAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 980412 RGHLLJUFUBRGBW-UHFFFAOYSA-N 374.465 4.683 0 50 FJAA O=C(COC(=O)c1cc(Cl)ccc1O)c1ccc(-c2ccccc2)cc1 990916 HCFPSOLUNIHVJV-UHFFFAOYSA-N 366.800 4.752 0 50 FJAA COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)C 1078869 NCCYCVNCGZVTPR-UHFFFAOYSA-N 353.340 4.754 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1C 4808137 RVNBREPVTCOXPO-UHFFFAOYSA-N 359.385 4.866 0 50 FJAA Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)CC(C)(C)C)C2)c1 12099173 ITNLBAWEURUABZ-IBGZPJMESA-N 365.521 4.903 0 50 FJAA CC[C@H](C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12242381 SEEAGKFBAOHZCY-FUHWJXTLSA-N 361.489 4.982 0 50 FJAA O=C(Nc1ccc(Br)cc1)Nc1ccc(CN2CCCC2)cc1 13325244 YEKOQLAMWYTEEQ-UHFFFAOYSA-N 374.282 4.689 0 50 FJAA COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)c1 20605798 AFENGQAYONJYFD-UHFFFAOYSA-N 364.323 4.803 0 50 FJAA CCn1nc(CC(C)C)cc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 91663425 JPCDUIKVKBLIPS-IBGZPJMESA-N 357.473 4.608 0 50 FJAA CC(C)c1nnc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)[nH]1 263587741 KSLQVUPPETTYLA-IBGZPJMESA-N 373.460 4.501 0 50 FJAA CC(C)C[C@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)n1cccc1 263587888 MLVMOQASEIXQLT-VQTJNVASSA-N 367.468 4.890 0 50 FJAA COc1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3c3cccnc3)c2)cn1 426502846 FSTKTLRKJXKTBD-OAQYLSRUSA-N 373.456 4.520 0 50 FJAA O=C(O)CCCCn1nc(C(=O)c2cccc3ccccc23)c2ccccc21 575415321 XAOOYUZHRQLPHJ-UHFFFAOYSA-N 372.424 4.675 0 50 FJAA in-vitro C[C@H](OC(=O)/C=C/c1ccncc1)C(=O)c1ccc(Oc2ccccc2)cc1 2325737899 WOJOJSCHIHAZOL-CRVDFBCUSA-N 373.408 4.702 0 50 FJAA Cc1cc(OCC(=O)N2c3ccc(F)cc3CC[C@H]2C)cc(C)c1Cl 673130 UXCYHTXJTXSNFN-CQSZACIVSA-N 361.844 4.843 0 50 FJAA COC(=O)[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCCC1 1132220 KZMQOQLSCRHZCT-OAHLLOKOSA-N 358.265 4.692 0 50 FJAA Fc1ccc(CNC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 2857695 QRBZWHJPVNTGAN-UHFFFAOYSA-N 366.461 4.891 0 50 FJAA CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 4833837 YSJMJKKFEUHLLI-UHFFFAOYSA-N 374.440 4.762 0 50 FJAA CSc1ccc2c(C)cc(N3CCN(c4ccccc4C)CC3)nc2c1 23634395 BUNJNDPZIHBDKL-UHFFFAOYSA-N 363.530 4.900 0 50 FJAA Clc1ccccc1N1CCN(Cc2cccc(Cl)c2Cl)CC1 55542853 PDQAHRGAJCDZRS-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA C[C@@H](c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)N1CCCC1 72161381 JKBIPLYZIKMACN-HNNXBMFYSA-N 360.461 4.833 0 50 FJAA CCN(C(=O)Nc1ccc(-c2cccc(C(C)=O)c2)cc1)C1CCOCC1 96139425 QFDNUBXTHHPTMW-UHFFFAOYSA-N 366.461 4.589 0 50 FJAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 169405419 WDEOECIQYPNENG-RBUKOAKNSA-N 351.446 4.663 0 50 FJAA O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1ccccn1 208398371 MZRLPXFGQKQHST-UHFFFAOYSA-N 360.200 4.828 0 50 FJAA in-vitro O=C(O)CCc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 238051039 RXWXSNFTUXRNPO-UHFFFAOYSA-N 359.425 4.547 0 50 FJAA Cc1ccccc1N1[C@H]2C[C@@H](Oc3ccccc3)N1C(=O)c1ccccc12 253393382 KZJKXCRUTQCIEV-FCHUYYIVSA-N 356.425 4.722 0 50 FJAA FC(F)Oc1ccccc1Oc1nn2cc(C3CCCC3)nc2s1 302551035 QHLCKGXGBXCCBH-UHFFFAOYSA-N 351.378 4.842 0 50 FJAA Cc1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl 319488594 CXHOBJZZYRTNMY-UHFFFAOYSA-N 352.217 4.571 0 50 FJAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCCC[C@@H]1c1ccccn1 426487655 WWLQYDMICZTRPG-JOCHJYFZSA-N 358.441 4.822 0 50 FJAA CCSCCN(C(=O)c1cccc(-c2cnn(C)c2)c1)C1CCCCC1 426746082 LBMBNCSXGYQGNM-UHFFFAOYSA-N 371.550 4.615 0 50 FJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1ccccc1NCc1cccs1 1506406692 MYGBEUYGBBVSBP-FQEVSTJZSA-N 365.502 4.979 0 50 FJAA CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)N=c1cc[nH]cc1 1875273971 QPGORKRCBHSQLQ-UHFFFAOYSA-N 362.433 4.632 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 840073 WNSCKZXMDHKQDU-UHFFFAOYSA-N 363.866 4.709 0 50 FJAA Cc1nc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 1110080 GKHOXULEMAWGQH-UHFFFAOYSA-N 360.504 4.703 0 50 FJAA Cc1ccccc1OCCn1cc(C(=S)N2CCCC2)c2ccccc21 1151681 ZYNYFPHSVCDTFF-UHFFFAOYSA-N 364.514 4.800 0 50 FJAA COc1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1218397 ZGSZTIFXBLSTRR-UHFFFAOYSA-N 363.257 4.985 0 50 FJAA COc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1OC 2526074 ZVGWEKOTIWXUOV-UHFFFAOYSA-N 357.793 4.579 0 50 FJAA Cc1ccc(-n2nnnc2SCc2ccc(C(C)(C)C)cc2)c(C)c1 2849090 KAQBWHGSVMAFRJ-UHFFFAOYSA-N 352.507 4.869 0 50 FJAA CCCCSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 2914960 HRTZUEDUUJOKNT-INIZCTEOSA-N 370.503 4.995 0 50 FJAA COc1cccc(OCCOC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2983299 KVJOYJCGTPNREJ-UHFFFAOYSA-N 356.205 4.630 0 50 FJAA Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)n1 6401578 QPEMFIMTLIQQOS-UHFFFAOYSA-N 374.831 4.906 0 50 FJAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c(C)c1 8369646 AXONYVRLWPJKEU-UHFFFAOYSA-N 366.440 4.948 0 50 FJAA CCSc1ccc(NC(=O)N(CCCO)[C@@H](C)c2ccccc2)cc1 97814901 CVSUKJPXIWHAGZ-INIZCTEOSA-N 358.507 4.776 0 50 FJAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2ccc3ccccc3n2)c1 299767598 HWVDPDTVXBIYJM-HXUWFJFHSA-N 360.457 4.543 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)CN(C)C(=O)N2)C(C)C 534655988 XIPGPUHBYUVHBZ-UHFFFAOYSA-N 365.477 4.590 0 50 FJAA O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 1875336349 XKZVUKNCGGORHV-SXLOBPIMSA-N 355.428 4.616 0 50 FJAA Cc1ccc(C)c([C@H](C(=O)N[C@@H](C)CCc2ccc(O)cc2)C(C)C)c1 1875342442 RJENFSGSTUTAAT-PGRDOPGGSA-N 353.506 4.886 0 50 FJAA COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 634162 WHDNURPRBIDPJI-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA biogenic COc1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1OC 1145691 ULTSKVGCQQPTDZ-UHFFFAOYSA-N 351.189 4.728 0 50 FJAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C(=O)O 2540075 WYCXAHWYARJRQK-UHFFFAOYSA-N 373.408 4.770 0 50 FJAA Cc1c(C(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 4834232 XNOWXXWMSHGZIS-UHFFFAOYSA-N 354.453 4.665 0 50 FJAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4912564 VHYFVBWYHQWNFZ-WCQYABFASA-N 359.853 4.845 0 50 FJAA COc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 13331378 QDDQTAGBRUHWAA-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)c2cc(Cl)ccc2n1 77407066 STCIXZXTGHQBPZ-LJQANCHMSA-N 351.837 4.569 0 50 FJAA O=C(N[C@H]1CCSc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 195560637 XIDJFIODDDAPIF-NGWYPBGASA-N 361.938 4.918 0 50 FJAA CN(Cc1ccoc1)C(=O)c1ccc(-c2ccc(CN3CCCC3)cc2)cc1 426386374 QFHBLFLNMSUABH-UHFFFAOYSA-N 374.484 4.815 0 50 FJAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)c1sccc1Cl 828234791 OEYRSZQOOYIGNL-CQSZACIVSA-N 351.855 4.602 0 50 FJAA C[C@]1(C2CCCCC2)CCN1C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 1875408084 NYPKNASANVCXCW-RCLSDMTESA-N 358.913 4.732 0 50 FJAA O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1nnc(-c2ccccc2)s1 2325820385 RVDROESGTKWMMJ-KOMQPUFPSA-N 369.877 4.535 0 50 FJAA COc1ccc(CSc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 1111733 KPXITBGTTKGIPM-NSHDSACASA-N 371.531 4.699 0 50 FJAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1 1219076 ADTLBIFDNHMORY-IBGZPJMESA-N 362.454 4.748 0 50 FJAA aggregator Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)c1 2878900 DQCWEMUWFKWEDF-UHFFFAOYSA-N 364.788 4.515 0 50 FJAA Brc1cc2c(cc1/C=C/c1ccc3ccccc3n1)OCO2 4998910 XYGFHCCRILTPJG-SOFGYWHQSA-N 354.203 4.896 0 50 FJAA C[C@H]1CN(CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 16247130 HVDDKMIHPYAPGZ-IYBDPMFKSA-N 353.934 4.906 0 50 FJAA CC(C)N1CC2(CCC1=O)CCN(c1ccc3cc(Cl)ccc3n1)CC2 95382379 BSCVQZJAVIHZEP-UHFFFAOYSA-N 371.912 4.506 0 50 FJAA COc1cccc([C@H]2CCCN2C(=O)Nc2cc(Cl)cc3c2OCC3)c1 120391531 RRFLKIZJJCFMLK-GOSISDBHSA-N 372.852 4.653 0 50 FJAA O=C(OCc1cc(-c2ccncc2)n[nH]1)c1sccc1-c1ccccc1 170609312 GBKDFIGVFZSSFL-UHFFFAOYSA-N 361.426 4.557 0 50 FJAA COc1cccc([C@H]2CCN2C(=O)c2ccc(-c3cc(C)nc(C)c3)cc2)c1 426387218 GHVRZHLGOGRTFY-HSZRJFAPSA-N 372.468 4.961 0 50 FJAA CNC(=O)c1cc(-c2ccc([C@H](C)N3CCCCC3)cc2)ccc1Cl 426667608 QOZDHMWZTNMBNC-HNNXBMFYSA-N 356.897 4.914 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)cc2c1 1875332847 NTNDGDMKZMOGIK-KSSFIOAISA-N 350.384 4.589 0 50 FJAA Fc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 626291 IQUKEBUOGHNIKQ-UHFFFAOYSA-N 351.406 4.959 0 50 FJAA COC(=O)[C@]1(C)CC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1(C)C 910527 PHFJOKJPCMCBQR-GTNSWQLSSA-N 358.265 4.547 0 50 FJAA CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(Cl)c1 1076951 DGZGZBPPUPQOFQ-UHFFFAOYSA-N 369.881 4.787 0 50 FJAA CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1143837 OBVPHRRJBAXQIP-UHFFFAOYSA-N 369.442 4.678 0 50 FJAA O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccccc1Cl 1218723 FLMIEBKUKNEISO-UHFFFAOYSA-N 373.890 4.590 0 50 FJAA O=C(OCc1ccccc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2868740 KRIVNQJMLCPFTK-UHFFFAOYSA-N 374.371 4.900 0 50 FJAA Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9062705 AZUITMGVZNLBIV-SFHVURJKSA-N 368.496 4.532 0 50 FJAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1cccc(Cl)c1 9200910 YKSFPZBNUPPFRV-UHFFFAOYSA-N 370.840 4.752 0 50 FJAA O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2[nH]ccc2c1 12323542 CZQZSZMENQSGBD-UHFFFAOYSA-N 351.406 4.612 0 50 FJAA COc1ccccc1CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320443 OQAWSBKYSILALO-UHFFFAOYSA-N 372.774 4.732 0 50 FJAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(Cc2ccccn2)C1 15078296 FBLGFDAEMRSPSU-HXUWFJFHSA-N 374.459 4.983 0 50 FJAA Cc1cc(=O)[nH]c(-c2ccccc2CN2CCC[C@H](c3ccccc3)CC2)n1 20454389 ZCFPIWLMKNEWIN-FQEVSTJZSA-N 373.500 4.515 0 50 FJAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1 63846726 NXVXMRSLGSRLGF-OAHLLOKOSA-N 372.472 4.502 0 50 FJAA O=C(NCc1cccnc1Oc1ccccc1F)c1ccc(F)cc1Cl 67935238 FTBGNNOQBGZTHE-UHFFFAOYSA-N 374.774 4.736 0 50 FJAA Cc1ccccc1SC1CCN(C(=O)[C@@H](C)n2ccnc2C(C)C)CC1 95358355 UOEHBEOWVQRCPS-QGZVFWFLSA-N 371.550 4.659 0 50 FJAA O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1ccncc1Cl 170646469 BRPDFZHPGSRBGR-MRXNPFEDSA-N 363.269 4.969 0 50 FJAA CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H](OC(C)=O)CC[C@H]23)[C@@]2(C)CC[C@@H]3C[C@@]132 257348697 IAAONRVTBJWTGZ-WARVOEEKSA-N 374.521 4.502 0 50 FJAA CCCSc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 952969521 BMOZJMUJYDRSIP-FQEVSTJZSA-N 354.519 4.792 0 50 FJAA Clc1cc(Cl)cc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)c1 1857709028 AGGHKNRRVOVTJX-MRXNPFEDSA-N 367.276 4.758 0 50 FJAA O=C(N[C@H]1CCC12CCCC2)c1ccc(C(F)(F)F)nc1C(F)(F)F 1875343643 PICXWFROLPGKOU-JTQLQIEISA-N 366.305 4.572 0 50 FJAA CC(C)(Cc1ccccc1)c1noc(CCc2ccc(O)c(Cl)c2)n1 1875343684 QUYPZGTZOAGVAY-UHFFFAOYSA-N 356.853 4.734 0 50 FJAA C[C@@H](Nc1cccc(N2CC(C)(C)C2=O)c1)c1ncc(-c2ccccc2)o1 1875386969 HNBHRFULDMLUQZ-OAHLLOKOSA-N 361.445 4.888 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 671951 APDCURHWODLMDY-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA C[C@H](NC(=O)CSCc1cccc(Br)c1)c1ccccc1 754769 KGHWVVDUKMPSJY-ZDUSSCGKSA-N 364.308 4.560 0 50 FJAA Cc1c(C(C)C)c(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 1132393 DTIDAEXQFBBCQL-HNNXBMFYSA-N 350.414 4.875 0 50 FJAA O=c1ccc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2o1 1845581 GTUPSBQDBMSQTH-UHFFFAOYSA-N 358.393 4.951 0 50 FJAA biogenic,in-vitro Cc1cc(Cl)ccc1O[C@@H](C)c1nnc(NC(=O)OCC(C)C)s1 2844449 FHFZEZBYZWQTGL-NSHDSACASA-N 369.874 4.844 0 50 FJAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 4834107 NQEVRVZGKVQWAK-UHFFFAOYSA-N 362.311 4.785 0 50 FJAA CCOc1ccccc1CNc1ccc(NC(=O)c2ccco2)c(OC)c1 4843240 PPXBKZBONGWSOB-UHFFFAOYSA-N 366.417 4.551 0 50 FJAA Cc1ccc(-c2cc(-c3ccccc3O)nc(-n3nc(C)cc3C)n2)cc1 5008551 CBKHZNMGYZYPLD-UHFFFAOYSA-N 356.429 4.627 0 50 FJAA CC(=O)Nc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 5065704 QOPOCHUDZAYUKG-UHFFFAOYSA-N 374.396 4.562 0 50 FJAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccoc4)C3)C2)cc1 12430920 MMZSNZZOTNQCEE-HSZRJFAPSA-N 366.505 4.531 0 50 FJAA Cc1ccc(C(C)C)c(OCCCCn2c(CO)nc3ccccc32)c1 12447308 LMSCLALLYDIISV-UHFFFAOYSA-N 352.478 4.820 0 50 FJAA 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@]12C 43758828 PWDNBUZSKOZXCR-CYBATLNESA-N 362.554 4.815 0 50 FJAA Cc1ccccc1-c1ncc(CN[C@@H](C)c2cn3ccsc3n2)s1 65374058 XDRAVNIPAUHQIM-ZDUSSCGKSA-N 354.504 4.679 0 50 FJAA CCCCc1nc(CN2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)no1 225570769 PSNHLMBZLHYNMO-SFHVURJKSA-N 365.481 4.530 0 50 FJAA O=C(Cc1cccc(OC(F)F)c1)NC1CCC(c2ccccc2)CC1 499795917 WYAXFKKVEVMJRT-UHFFFAOYSA-N 359.416 4.673 0 50 FJAA Cc1c(O)ccc(-c2cccc(C(=O)N(Cc3ccccn3)C3CC3)c2)c1C 584903034 PNLVYNLDRKLBSZ-UHFFFAOYSA-N 372.468 4.876 0 50 FJAA C[C@H](NCc1ccc(-c2cccnc2)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952980246 ORDPFOMJWUYMAY-PVUAYWKYSA-N 362.517 4.558 0 50 FJAA Cc1ccc(F)c(-c2cc(NC(=O)c3cc4c(C)c(C)ccc4[nH]3)n[nH]2)c1 1468743699 RNHCLSOCVWNNMV-UHFFFAOYSA-N 362.408 4.875 0 50 FJAA Cc1cc(N2CCC[C@@H](OCc3cccnc3)C2)nc2cc3c(cc12)CCC3 1529133096 BHJJGEJJASEZDC-OAQYLSRUSA-N 373.500 4.613 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccccc3Cl)CC1)C2 1704359585 UDHWZZYKMBVVLQ-NHCUHLMSSA-N 362.945 4.590 0 50 FJAA C[C@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(C(F)F)on1 1875285033 APLHQGSHDHVYDZ-LBPRGKRZSA-N 358.392 4.985 0 50 FJAA Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 2325817738 RHBFECPCYPDPCD-OHLPKJLQSA-N 369.508 4.922 0 50 FJAA O=C(NC1(Cc2ccc(Cl)cc2Cl)CCC1)c1ncc2ccccn12 2325820349 PRLMJMJPTGQLAV-UHFFFAOYSA-N 374.271 4.536 0 50 FJAA O=C(N[C@H]1C[C@@H]1Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866136 BBKRVJBADWULMG-ZULIPRJHSA-N 354.881 4.516 0 50 FJAA Cc1ccc(Cc2cnc(NC(=O)COc3ccccc3Cl)s2)cc1 848359 WEVACNTYXMZSAI-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1 1145202 ZNLSRCKLSPZIHH-UHFFFAOYSA-N 366.230 4.729 0 50 FJAA CCOC(=O)[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 1161582 WCHGHYWFECAZNW-OAHLLOKOSA-N 358.265 4.692 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3ccccc3n2)cc1 1480384 QRSLRMNXWHIPIN-MRXNPFEDSA-N 360.457 4.783 0 50 FJAA Clc1ccc([C@@H]2N[C@@H]3c4c(ccc5ccccc45)OC[C@@H]3CO2)cc1 3133127 MTGORZUCYKQYBG-GQWLDOHISA-N 351.833 4.862 0 50 FJAA CCOc1ccc(NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1 4694325 AJLXXWPUPMZUJL-UHFFFAOYSA-N 374.525 4.813 0 50 FJAA Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1 4859678 ZPOMRVLYWGBIKB-UHFFFAOYSA-N 355.390 4.813 0 50 FJAA CCc1cc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2cc1O 5576001 YZGWREJOILONLU-UHFFFAOYSA-N 350.292 4.872 0 50 FJAA COc1ccc(Cl)cc1-c1nnc(S)n1Cc1ccc(Cl)cc1 6847714 DNFLMNZAJQBMTI-UHFFFAOYSA-N 366.273 4.598 0 50 FJAA Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 12477591 HEEHSDJUHVHNDF-HSZRJFAPSA-N 374.463 4.541 0 50 FJAA Cc1ccc2c(C(=O)N3CCCC3)cc(-c3cnc(C(C)C)nc3)nc2c1C 23191950 BCTAEVOSVFOIFP-UHFFFAOYSA-N 374.488 4.668 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O=c1oc2cc(OCc3c(F)cccc3F)c(Cl)cc2c2c1CCC2 2853844 OCAIIEZRHGKDCU-UHFFFAOYSA-N 362.759 4.792 0 50 FJAA Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)cc1C 4807271 SEXSOEWTTFKANG-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 4854201 XFYUSPHRMLRBRL-WIYYLYMNSA-N 362.454 4.999 0 50 FJAA CCCN1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 12457526 DCKOTCZFEBVQEA-UHFFFAOYSA-N 356.441 4.679 0 50 FJAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)s1 15867124 QOKDJJCIWQUEOM-MRXNPFEDSA-N 372.490 4.977 0 50 FJAA Cn1c(S)nnc1-c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17073124 LPHQAVFIGPAZJS-UHFFFAOYSA-N 352.850 4.639 0 50 FJAA CN(Cc1ccccc1-c1nc(C2CCC2)cc(=O)[nH]1)C1CCCCCC1 48488495 OEWYYZFVFKPDTK-UHFFFAOYSA-N 365.521 4.859 0 50 FJAA CC(C)(C)c1ncc2c(n1)CN(c1ccnc3c(C(F)(F)F)cccc13)C2 67934260 XPKRNHIQCZLVNE-UHFFFAOYSA-N 372.394 4.861 0 50 FJAA CCCCn1ccnc1[C@H]1CCCN(c2ccc3cccc(OC)c3n2)C1 95356100 FLQSYBDYRXAZTD-SFHVURJKSA-N 364.493 4.624 0 50 FJAA COc1cccc2c(C)cc(N3CCC(c4nccn4C(C)C)CC3)nc12 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1179778 PRWBELFPAVSZMM-UHFFFAOYSA-N 374.509 4.949 0 50 FJAA Cc1cccc(Cc2cnc(NC(=O)COc3cccc(Cl)c3)s2)c1 2669797 VJMBLGPBNGJEJA-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)C(C)C)c(=O)[nH]c2c1 3855441 NRAFFVGGUMGJOF-UHFFFAOYSA-N 368.864 4.541 0 50 FJAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)cc1OC 5670901 DJLXRKXGQZCMRD-GOSISDBHSA-N 364.445 4.518 0 50 FJAA CC1=C(CCN2CCC[C@@H](CNC(=O)c3ccco3)C2)C(C)(C)CCC1 12717062 MDPRFQYSCSKGJY-SFHVURJKSA-N 358.526 4.638 0 50 FJAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)on1 33269988 RMARSWGDTJHDEL-QGZVFWFLSA-N 369.396 4.569 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3C)no2)cc1 36620397 XPRUDHGJFKZYNG-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 77556481 FEXDZPDCRFWILT-JOCHJYFZSA-N 361.489 4.597 0 50 FJAA Cc1nc2n(n1)[C@H](c1ccccc1Cl)C=C(c1ccc(Cl)cc1)N2 100716874 VLLWAXOOZHBWNG-KRWDZBQOSA-N 357.244 4.949 0 50 FJAA CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 239425737 VDVFMPOMKNVTKW-HBUWYVDXSA-N 368.506 4.773 0 50 FJAA 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 253501673 WVHKCBDRQIXZLC-JCNKSZRGSA-N 360.494 4.582 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(F)cc3)cc12 718895 ZLNHSXZKDGSKLO-UHFFFAOYSA-N 351.406 4.787 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl 1217938 ISRZGCLLSNHPBZ-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA COc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 1453040 CJXMMJSHNCQQJM-UHFFFAOYSA-N 358.850 4.648 0 50 FJAA c1ccc(CCN2CCC(N3CCC(Cc4ccccc4)CC3)CC2)cc1 2498984 OKGQVZVQXKRDNT-UHFFFAOYSA-N 362.561 4.648 0 50 FJAA CCc1cc2c(SCC(=O)Nc3ccc(Cl)cc3)ncnc2s1 2895442 NQWNIVIPSIRARW-UHFFFAOYSA-N 363.895 4.638 0 50 FJAA CC[C@@]1(C)Cc2c(sc3[nH]c(SCc4ccccc4)nc(=O)c23)CO1 9698133 YWLMLUNLULPYOG-IBGZPJMESA-N 372.515 4.518 0 50 FJAA CCC[C@@H](C)c1n[nH]c2c1CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 19608368 MZUGPDVKLYDSDC-BEFAXECRSA-N 357.498 4.706 0 50 FJAA CCN(CC)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)cccc12 63845575 WHCCQSKNZQOGIP-UHFFFAOYSA-N 362.477 4.606 0 50 FJAA CCc1cccc(Cl)c1CNc1nnc(-c2cccc(OC)c2OC)o1 170608162 YBMPSUUVIFBTLI-UHFFFAOYSA-N 373.840 4.582 0 50 FJAA CC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 239331244 KIXGFZRPUASEFM-FXSWLTOZSA-N 371.524 5.462 0 50 FJAA C=CC(=O)N(Cc1csc(C)n1)Cc1ccc(-c2ccccc2)s1 1875386140 JVRPUCAQPBAAEG-UHFFFAOYSA-N 354.500 4.895 0 50 FJAA FC(F)c1nnc(N2CCC[C@H]2CCCc2ccccc2)n1CC1CC1 2325842416 XMUFWIDZWRWMOH-QGZVFWFLSA-N 360.452 4.617 0 50 FJAA O=C(C[C@H](c1ccccc1)c1ccccc1O)NCc1ccccc1Cl 1178798 ILGDTSKVMUJXEP-LJQANCHMSA-N 365.860 4.884 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1F 1179651 LBTFZJJWOTWEQU-SOFGYWHQSA-N 369.248 4.659 0 50 FJAA O[C@@H](COc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21 2318237 IHTNCHFQXFIPGF-GOSISDBHSA-N 368.436 4.783 0 50 FJAA Cc1ccc(C)c(Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)c1 2721269 CYTKUUARRDWRQW-UHFFFAOYSA-N 369.468 4.631 0 50 FJAA Cc1ccc(OCn2ccc(C(=O)Nc3cc(Cl)ccc3C)n2)c(C)c1 2796506 AOQRCFKQZQDAOO-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA CCOc1ccc(OCCOCCOc2c(Cl)cccc2Cl)cc1 4702062 PANXRHRJQKXBFT-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 4912108 KRIMXQBZVVSXFP-YXMMZVCTSA-N 351.446 4.531 0 50 FJAA O[C@@H](c1ccccc1)c1nc2ccccc2n1CCCOc1ccccc1 8361841 LLBALSADRKNTJI-QFIPXVFZSA-N 358.441 4.587 0 50 FJAA COc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1OC 13519779 VUJUKPADXYAPPO-UHFFFAOYSA-N 357.262 4.820 0 50 FJAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1 19857820 FRZJWNQSJJWLRP-UHFFFAOYSA-N 371.362 4.965 0 50 FJAA CC(C)c1nc2ccccc2n1Cc1nc(Cc2ccccc2Cl)no1 20601083 CMVBTWSEEMUEPL-UHFFFAOYSA-N 366.852 4.835 0 50 FJAA c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cc3ccccc3s2)nc1 20860315 UBQFOTFQWWJJSE-SFHVURJKSA-N 360.486 4.649 0 50 FJAA Brc1ccc2oc3ccc(I)cc3c2c1 118445230 YMEVNDQRPHHDRH-UHFFFAOYSA-N 372.987 4.953 0 50 FJAA CCOc1ccc2[nH]c(C)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(=O)c2c1 138773439 BTLFXIWYOFKUOL-MWTRTKDXSA-N 368.521 4.636 0 50 FJAA CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@@H](c1ccccn1)C1CC1 215396021 TVNVPZHADSGFTP-LJQANCHMSA-N 351.837 4.507 0 50 FJAA CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253598159 WAFJRNODYIQPFV-MRZRSTHVSA-N 358.522 4.898 0 50 FJAA CC[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1 763864189 GOBBCALZTUXRII-GOSISDBHSA-N 353.805 4.707 0 50 FJAA CSc1ccc2cc(CN(C)[C@H](C)c3nc(C)sc3C)c(O)nc2c1 1506418387 XKAOJZZFOIDXFQ-LLVKDONJSA-N 373.547 4.929 0 50 FJAA CC(C)c1nccn1[C@H](C)C(=O)Nc1cccnc1Oc1ccccc1F 1875243791 XPCLBFJNXZVGPK-CQSZACIVSA-N 368.412 4.533 0 50 FJAA CC[C@@H](C)Cc1csc(NC(=O)c2cccn2Cc2ccccc2F)n1 2325871479 MOCIIKHESBZLSZ-CQSZACIVSA-N 371.481 4.973 0 50 FJAA Cc1cc(C)c2c(-n3cccc3)c(C(=O)NCc3ccccc3)sc2n1 1074284 CTKISKKJKRVSAR-UHFFFAOYSA-N 361.470 4.634 0 50 FJAA COc1ccccc1Oc1coc2cc(OCC=C(C)C)ccc2c1=O 1124083 NMUWVACLMPYVQH-UHFFFAOYSA-N 352.386 4.939 0 50 FJAA biogenic Cc1cc(Cl)ccc1OCCCC(=O)NCCc1cccc(Cl)c1 2740223 MJBXGYNNUCHJCE-UHFFFAOYSA-N 366.288 4.820 0 50 FJAA CCC1(C(=O)OCC(=O)c2ccc(Br)cc2)CCCCC1 2940114 RAKDLKYCFSYYQK-UHFFFAOYSA-N 353.256 4.536 0 50 FJAA Nc1nc(NCc2ccccc2)sc1C(=O)C12CC3CC(CC(C3)C1)C2 4427896 IABQLHLHULLWRT-UHFFFAOYSA-N 367.518 4.737 0 50 FJAA CC(=O)Oc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1 5064844 FKMCBPQYDHPDEZ-UHFFFAOYSA-N 353.447 4.545 0 50 FJAA O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 6616139 FTWNSYGVYTUUAI-UHFFFAOYSA-N 361.397 4.893 0 50 FJAA CCC(CC)C(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 12099396 OQVWPJSUGMEBCG-SFHVURJKSA-N 369.484 4.733 0 50 FJAA OCc1ccc(CN2CC[C@H](c3ccnc(-c4cc5ccccc5o4)c3)C2)o1 65374395 VYJJYBNKAXWMSF-SFHVURJKSA-N 374.440 4.570 0 50 FJAA c1ccc(-c2cc(CN3CCC[C@@H]3c3nc4ccccc4s3)on2)nc1 72159232 RJECHJKQDIOBPA-GOSISDBHSA-N 362.458 4.683 0 50 FJAA Cc1ccc(CN(C(=O)c2cnc(C3CC3)nc2C)C2CCCC2)s1 97495272 BDFIGAYSZMPFRE-UHFFFAOYSA-N 355.507 4.617 0 50 FJAA Fc1ccc(Cl)c(CNc2cccc(Cl)c2N2CCOCC2)c1 438302612 LPGTZGFVFGXXNE-UHFFFAOYSA-N 355.240 4.581 0 50 FJAA O[C@H](c1cccs1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 952984758 ZKSZMNDNDGFVCI-KRWDZBQOSA-N 355.425 4.713 0 50 FJAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccccc1-c1cccc(C)c1 1857700314 SGOXBXQMRDMJDW-XTQVGHSUSA-N 363.457 4.520 0 50 FJAA Cc1ccc(C)c(-c2nc(NC(=O)/C=C/c3cncs3)sc2C)c1 2325748784 NLFOTCNHRDYLMJ-VOTSOKGWSA-N 355.488 4.844 0 50 FJAA CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccccc1 1061017 ZRDKPKZWYBTUHK-UHFFFAOYSA-N 355.415 4.746 0 50 FJAA O=C(NC1CCCC1)c1cc(-c2ccncc2)nc2c(Cl)cccc12 1074047 UFTOXPBNAOXLOJ-UHFFFAOYSA-N 351.837 4.623 0 50 FJAA COc1cc(SC)ccc1C(=O)Nc1ccc(Br)cc1F 1182663 VWQSCSZJZDTCCS-UHFFFAOYSA-N 370.243 4.571 0 50 FJAA Cc1cc(C)c(N[C@H](NC(=O)OC(C)C)C(Cl)(Cl)Cl)c(C)c1 2689720 DQMRULHNXDATKU-CYBMUJFWSA-N 367.704 4.855 0 50 FJAA Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 5587773 KALHIECSEKGONP-SFHVURJKSA-N 352.478 4.525 0 50 FJAA O=C(/C=C/c1cccs1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12713442 ITZXFGPHAVLXDK-DGSRBQDKSA-N 372.578 4.656 0 50 FJAA Cc1cc2cc(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)ccc2o1 14948909 RNYUQUJTLHSKFN-IBGZPJMESA-N 352.409 4.597 0 50 FJAA CN(Cc1cc(-c2ccccc2)no1)Cc1ccc([C@H]2CCCO2)s1 72133634 YJGIFVUWERZGNX-LJQANCHMSA-N 354.475 4.887 0 50 FJAA COc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(Cl)cc2c1OCC2 120496353 RVBUCNOXPQRUND-QGZVFWFLSA-N 372.852 4.653 0 50 FJAA Brc1cccc(-c2ccc(I)cc2)c1 141424005 HPCKEAXEWARUIH-UHFFFAOYSA-N 359.004 4.721 0 50 FJAA in-vitro CC1=CC[C@@H](OC(=O)c2ccc(O)cc2)C(C)=C[C@H](O)C(C)(C)CCC1 253778563 JDZBITULCWBIMC-UXHICEINSA-N 358.478 4.771 0 50 FJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccc(Cl)cc1 1875318041 BFIAEVNUPWYAER-UHFFFAOYSA-N 354.855 4.548 0 50 FJAA Cc1[nH]nc2ccc(C(=O)N[C@H](C)c3ccc(Oc4cccnc4)cc3)cc12 1875341829 JUYICUVHXKRMNQ-CQSZACIVSA-N 372.428 4.550 0 50 FJAA COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 622623 HBMMLXIAYYIKHO-JTQLQIEISA-N 363.866 4.565 0 50 FJAA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 1110172 AKQODFJTXWOPPX-UHFFFAOYSA-N 353.853 4.675 0 50 FJAA COc1ccc(CC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 1130149 LMZGRAHLLNWWGI-UHFFFAOYSA-N 372.424 4.993 0 50 FJAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1C 1154193 DWLFDNHMXRAALU-UHFFFAOYSA-N 359.381 4.602 0 50 FJAA COCCOC(=O)c1c(C)oc2ccc(OC/C=C/c3ccccc3)cc12 1797705 BDUVZILUVZJHGT-RMKNXTFCSA-N 366.413 4.637 0 50 FJAA biogenic CC(C)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 4419863 WBXGKUUECPTGHU-PKOBYXMFSA-N 371.278 4.975 0 50 FJAA Cc1ccccc1-c1cn[nH]c1C1CCN(C2Cc3ccccc3C2)CC1 12244196 FNMPJUWWSNXMFF-UHFFFAOYSA-N 357.501 4.732 0 50 FJAA Fc1cccc([C@H]2CCCCN2Cc2nc(Cc3ccccc3F)no2)c1 12387031 FTSLIDOEYXIDAO-LJQANCHMSA-N 369.415 4.666 0 50 FJAA CCOc1ccccc1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C 12457955 LHOJMTGIJDZYIT-OAHLLOKOSA-N 353.441 4.569 0 50 FJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC1CCSCC1 12707900 RVRNGRSHRUUEJS-SFHVURJKSA-N 355.551 4.679 0 50 FJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)cn1 13746895 ATZFHLKHBBCUDV-UHFFFAOYSA-N 366.179 4.743 0 50 FJAA Cc1cnc(NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)nc1N 71762139 RTSWSRGNKIWACE-UHFFFAOYSA-N 361.424 4.575 0 50 FJAA CCNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)s1 77380424 IXZZFYADSCVYAW-KRWDZBQOSA-N 357.523 4.511 0 50 FJAA Cc1oc(-c2cccs2)nc1-c1nccn1[C@@H]1COC2(CCCC2)C1 82160589 QUJFUAIESQOKBE-AWEZNQCLSA-N 355.463 4.849 0 50 FJAA C[S@](=O)Cc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 131380033 FMADZYUZEBLKTJ-RUZDIDTESA-N 373.861 4.731 0 50 FJAA Cc1ccnc(Oc2ccc(NC(=O)N3CCCc4ccccc4C3)cc2)n1 177768097 MOAAIZCWQXEKDR-UHFFFAOYSA-N 374.444 4.558 0 50 FJAA CC(C)c1noc([C@H]2CCCCN2C(=O)c2cccc(-c3ccco3)c2)n1 220679450 IPQGJJOQOBDLDH-QGZVFWFLSA-N 365.433 4.820 0 50 FJAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 239310094 IBBHEQXRACLNGJ-INHRHCAVSA-N 364.316 6.261 0 50 FJAA O=C(c1ccc(C2CCC2)cc1)N1CCC(c2ncc3n2CCCC3)CC1 469155066 DBDSUHICAGGCBC-UHFFFAOYSA-N 363.505 4.507 0 50 FJAA Cc1cccc(Cl)c1C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 857496145 MFTKQHGWHMSSSJ-OAHLLOKOSA-N 372.679 4.809 0 50 FJAA Cc1ccc(C(C)(C)NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)cn1 2325877347 PELLDTFUMDIXAY-UHFFFAOYSA-N 362.260 4.843 0 50 FJAA CC(C)(C)c1cc(NC(=O)c2ccccc2Cl)n(Cc2ccncc2)n1 2332237422 XVFOKMCTCZPSQL-UHFFFAOYSA-N 368.868 4.530 0 50 FJAA COc1cc(OC)c(NC(=O)Nc2cccc(SC)c2)cc1Cl 641586 QHLOHLQRBYQBGJ-UHFFFAOYSA-N 352.843 4.723 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br 680162 CZVNQDHILCLMTH-UHFFFAOYSA-N 371.234 4.648 0 50 FJAA Cn1c(SCc2c(Cl)cccc2Cl)nc2ccccc2c1=O 2802572 DHAUVSWPKPRQKN-UHFFFAOYSA-N 351.258 4.533 0 50 FJAA CCCCCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21 3188726 RCLWKKJDEUNICL-UHFFFAOYSA-N 361.445 4.831 0 50 FJAA CCOc1ccccc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 4037240 WCVCWMJGGFNBPT-UHFFFAOYSA-N 367.445 4.827 0 50 FJAA CC[C@H](C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12242383 SEEAGKFBAOHZCY-WMZOPIPTSA-N 361.489 4.982 0 50 FJAA Cc1cc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(C)c(C)c1Br 18030055 LQOUMWIFUQKXSV-BETUJISGSA-N 368.315 4.543 0 50 FJAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc2scnc2c1 72421168 GAROPUMXGOEOCY-UHFFFAOYSA-N 371.512 4.754 0 50 FJAA Cc1cc([C@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)no1 82092335 VQKSNFGJASNYHA-CQSZACIVSA-N 359.476 4.535 0 50 FJAA Cc1cc(C(=O)N(CCC2=CCCCC2)Cc2ccccc2C)n(C)n1 97618926 ZUYOSABTKCMBOI-UHFFFAOYSA-N 351.494 4.570 0 50 FJAA O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@@H]1c1ccco1 170618145 MBXFSZITPIWIGQ-MRXNPFEDSA-N 356.834 4.986 0 50 FJAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCCSc2ccccc21 174169784 SKZDBFLZTXSAKZ-UHFFFAOYSA-N 350.443 4.793 0 50 FJAA CC(C)c1noc([C@@H]2CCCCN2Cc2cncn2C2CCCCC2)n1 244816798 SOPVTVZCGYGVSF-SFHVURJKSA-N 357.502 4.622 0 50 FJAA CC(C)Cc1ccc([C@@H](C)c2nc3nccc(-c4ccncc4)n3n2)cc1 253404166 HRYFIXARNNSIEA-MRXNPFEDSA-N 357.461 4.537 0 50 FJAA C[C@H](O)[C@H](C)O[C@@H]1CCC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4C3=CC[C@H]12 257347684 QGCRIKQJTFPYSZ-ZFKWIFDZSA-N 360.538 4.673 0 50 FJAA CCn1c(S[C@@H](c2nc(C)cs2)C(F)(F)F)nnc1-c1ccco1 328593172 PFBZFSIAPLZIEO-JTQLQIEISA-N 374.413 4.719 0 50 FJAA CCN(CC)[C@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(C)c2)C1 437562439 YSVYRNJNJOBMKD-SFHVURJKSA-N 367.493 4.735 0 50 FJAA C[C@H]1CN(c2ccccc2NCc2cc3ccc(F)cc3[nH]2)C[C@@H](C)O1 486686271 XSQHNOWBVRIEDP-GASCZTMLSA-N 353.441 4.533 0 50 FJAA COCC(C)(C)N(C)C(=O)c1ccc(-c2ccc(-c3ccno3)cc2)cc1 584887302 DJSVIKNMOIJJDT-UHFFFAOYSA-N 364.445 4.506 0 50 FJAA O=C(c1ccc(F)c2ccccc12)N1CCC[C@H]1C[C@@H](O)c1cccs1 797736839 HNCAAEDOANAKIF-IFXJQAMLSA-N 369.461 4.769 0 50 FJAA COc1cccc(-c2nc(N[C@H]3CCCC3(F)F)c3ccccc3n2)c1 1472767644 NHEAHVZZFHEHEI-KRWDZBQOSA-N 355.388 4.905 0 50 FJAA O=C1C[C@H](c2cccc3ccccc23)Sc2nc(-c3ccccc3)nn21 719382 PWTVNPSJZORKFM-GOSISDBHSA-N 357.438 4.976 0 50 FJAA Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)o1 996056 NLQRJGKZAQIPHV-UHFFFAOYSA-N 363.236 4.726 0 50 FJAA O=C(C[C@@H](C(=O)O)c1cccc(Br)c1)c1ccc(Cl)cc1 1397657 LGSXJUDEOUVXHL-CQSZACIVSA-N 367.626 4.544 0 50 FJAA Fc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 13330926 CGAOKJGFEIGAKR-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C/C=C/c2ccco2)C1 20560704 PVDYDUZNUAGAAF-OUGHUQCRSA-N 363.379 4.907 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H](c2ccccc2)C1 82108447 SWYJLWFKZMGTEH-LJQANCHMSA-N 362.498 4.754 0 50 FJAA COc1cccc2c1O[C@@H](c1ccccc1)N1N=C(c3ccccc3)C[C@@H]21 169713131 BTTJNNGGFUWDFS-REWPJTCUSA-N 356.425 4.938 0 50 FJAA Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 170624901 BMJCZHHRVUBENC-KRWDZBQOSA-N 372.419 4.597 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 725240 OYPJVVSAJFWBBB-JOCHJYFZSA-N 355.437 4.834 0 50 FJAA Cc1ccc(C(=O)[C@H](C)OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 2998235 VRYBCCKPCJDQRJ-INIZCTEOSA-N 373.452 4.850 0 50 FJAA COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1Cl 4542052 BVWGZIUEOVSXIN-UHFFFAOYSA-N 354.233 4.582 0 50 FJAA COc1cc(C=O)cc(Cl)c1OCc1ccccc1Br 4829085 OYELBXXTTXBNAY-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)cc1 12055742 RYEVZPSFLXBUNP-OAHLLOKOSA-N 372.465 4.674 0 50 FJAA COc1ccc(OC)c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 13329897 POSCQLNEFBSUJZ-SNVBAGLBSA-N 369.248 4.893 0 50 FJAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)cc1 36621158 MBOUFIKKKIYTTH-IBGZPJMESA-N 350.393 4.766 0 50 FJAA CC(=O)N[C@H]1C[C@@H](c2c(C)cccc2C)O[C@@H](c2cc(F)cc(F)c2)C1 65422469 ZCMXEUFPOPKGEH-AQNXPRMDSA-N 359.416 4.679 0 50 FJAA CC1=CC[C@@H]2[C@@H](OCOCc3ccccc3)CC[C@]2(C)[C@H](O)[C@@H]2CC=C[C@H]12 71786460 VDAVYBKDCZDUDY-YWIRWFRESA-N 368.517 4.865 0 50 FJAA Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)C3CC3)[nH]n2)s1 91411881 NWYNCRLIZXRGAM-UHFFFAOYSA-N 357.504 4.621 0 50 FJAA C[C@@H](NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1cccs1 95360055 WXPOKKQGGUWWNK-CYBMUJFWSA-N 365.433 4.693 0 50 FJAA Cc1cc([C@@H]2CCCCN2C(=O)Nc2ccc(Cl)c3ncccc23)no1 97137436 JYQWLHHZUWVAEP-KRWDZBQOSA-N 370.840 4.944 0 50 FJAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H](CO2)[C@@H]1CCCCCCC(=O)O 100015990 VGRVXLWYKKBTNM-WNICDCJKSA-N 352.515 4.560 0 50 FJAA in-vitro CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccc3ccccc3n2)c1 299767593 HWVDPDTVXBIYJM-FQEVSTJZSA-N 360.457 4.543 0 50 FJAA O[C@@H](CNCc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 328589199 SATLQEARZZBWCI-NRFANRHFSA-N 367.876 4.742 0 50 FJAA CCOC(=O)c1ccc(NC(=O)Oc2ccc(Cl)cc2Cl)cc1 641435 AUYIGMDKPPYSIY-UHFFFAOYSA-N 354.189 4.781 0 50 FJAA COc1ccc(C=O)cc1COc1ccc(Cl)cc1Br 650799 QKLGHQKRSSQYPP-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCCCCCCC2 685938 UYZPSWIQMSOUGE-UHFFFAOYSA-N 374.506 4.912 0 50 FJAA COc1cc(OC)c(CNc2ccc(F)cc2C)cc1Br 851061 ZBYUSIXXRJUHKS-UHFFFAOYSA-N 354.219 4.526 0 50 FJAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 1070932 DKVPIEAHFMJWSO-AWEZNQCLSA-N 371.864 4.989 0 50 FJAA O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc(Cl)c(Cl)c1 1164220 IDRXUYOVTTZUSW-UHFFFAOYSA-N 357.620 4.615 0 50 FJAA O=C(O)Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2583043 DFSRRXZHWJUCFU-UHFFFAOYSA-N 373.408 4.675 0 50 FJAA in-vitro Cc1cc(-c2ccc(CNCc3cccnc3)o2)ccc1Br 6715974 AVMXJZXBYGCPBH-UHFFFAOYSA-N 357.251 4.702 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 11874373 GYADGFRVILIPIL-SFHVURJKSA-N 364.514 4.985 0 50 FJAA O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)ccc1F 14256853 CQEQMXHRKHYJBR-UHFFFAOYSA-N 361.369 4.558 0 50 FJAA Cc1c(C)c(C)c2c(OC[C@H](O)CNC(C)C)c(C)c(C)c(C)c2c1C 86032815 DZVKINROBQDYAA-HXUWFJFHSA-N 357.538 4.736 0 50 FJAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3sc(C(C)C)nc3C)C2)c1 91269580 KMAMPIHBNXYVHK-KRWDZBQOSA-N 372.534 4.815 0 50 FJAA Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N2CCC[C@H]2C)c1C 173246277 CIGSWBZXKNWVIQ-SNVBAGLBSA-N 367.280 4.812 0 50 FJAA COc1ccc(SCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 302901437 YIWYYPNPCDPEMK-UHFFFAOYSA-N 371.289 4.705 0 50 FJAA C[C@@H](O)c1cccc(-c2ccc(C(=O)N(Cc3ccncc3)C3CC3)cc2)c1 426649805 XAEJMGSPQOSFPZ-QGZVFWFLSA-N 372.468 4.607 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)CC[C@@H]2CCCCN2C)cc1 431504768 GWQBRGXNFQBVPC-SFHVURJKSA-N 368.477 4.691 0 50 FJAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1 1857673603 WKMGYEAYOCSUGW-UHFFFAOYSA-N 369.468 4.586 0 50 FJAA Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)/C=C/c1cncs1 2325748783 NIIANLTVWZLRGA-SOFGYWHQSA-N 368.433 4.822 0 50 FJAA CC[C@@H](NC(=O)c1cc(OC)ccc1-c1ccccc1C)[C@@H]1CCCOC1 2325842552 ALFHCKOVPFBVQL-VGOFRKELSA-N 367.489 4.606 0 50 FJAA O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866135 BBKRVJBADWULMG-QGZVKYPTSA-N 354.881 4.516 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)OCc1c(F)cccc1Cl 2849792 RFPGKUNAKHJISI-UHFFFAOYSA-N 363.599 4.908 0 50 FJAA COCCSc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 2865283 YOVXRKGEYIQZML-UHFFFAOYSA-N 369.530 4.520 0 50 FJAA COc1cccc(OCCCCOc2ccc(Br)cc2)c1 2904599 DQWXJHUONDIWIO-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA Cc1ccc(C(=O)N(C)CCOC23CC4CC(CC(C4)C2)C3)cc1Cl 4783219 RNUVVDLQDAPMSS-UHFFFAOYSA-N 361.913 4.706 0 50 FJAA CC(C)C(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 5073213 LBCHHJZJRPPLHK-UHFFFAOYSA-N 359.223 4.852 0 50 FJAA Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9062704 AZUITMGVZNLBIV-GOSISDBHSA-N 368.496 4.532 0 50 FJAA CN(Cc1ccco1)C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 12591601 ZVNKLSCCGIQYRX-UHFFFAOYSA-N 374.440 4.868 0 50 FJAA O=C(C[C@H]1NCCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 20389334 PGQAPBDURPHHDJ-JOCHJYFZSA-N 358.441 4.695 0 50 FJAA c1cc(-c2cncnc2)cc(-c2ccn(Cc3ccc4ccccc4n3)n2)c1 20997152 MGOAOCIOMDTLGJ-UHFFFAOYSA-N 363.424 4.604 0 50 FJAA Fc1ccc(C(CCCN2CCN3CCC[C@H]3C2)c2ccc(F)cc2)cc1 22032947 IMSNWRMLXLBTEF-QFIPXVFZSA-N 370.487 4.657 0 50 FJAA biogenic 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 253501674 WVHKCBDRQIXZLC-UOICAXPBSA-N 360.494 4.582 0 50 FJAA COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCC2)cc1 484040381 XDNRJNIAVMZYJK-BMRADRMJSA-N 370.452 4.576 0 50 FJAA Cc1cccc(-c2cccc(C(=O)N(C)CC[C@H](C)N3CCCC3)c2)c1 1506399082 JYTXXYYPILFFOI-IBGZPJMESA-N 350.506 4.608 0 50 FJAA COc1cccc2c1C1(CCN(c3nc4ccccc4cc3C)CC1)OCC2 2356138516 LTKISFYWBDTHSX-UHFFFAOYSA-N 374.484 4.620 0 50 FJAA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1F 796951 MELCKGOECZKKEO-UHFFFAOYSA-N 352.843 4.820 0 50 FJAA COc1cc(OC)c(NC(=O)c2csc3c2CCCC3)cc1Cl 1053789 YEAZBTRZWCRUAE-UHFFFAOYSA-N 351.855 4.550 0 50 FJAA Cc1cc(C(=O)Nc2sccc2C(=O)Nc2ccccc2F)cs1 1055958 HOKNQVNHKTWCKL-UHFFFAOYSA-N 360.435 4.762 0 50 FJAA COc1ccccc1-n1cnc2cc(NC(=O)c3ccc(C)cc3)ccc21 1097766 FIOYPXABVBFHLQ-UHFFFAOYSA-N 357.413 4.595 0 50 FJAA COc1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(OC)c1 1163121 PRQKSVOEVYHIIW-HXUWFJFHSA-N 373.452 4.649 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cc1F 1185059 CAAMDNYSWVGGQD-FPYGCLRLSA-N 354.606 4.894 0 50 FJAA Cc1c(O)ccc(-c2[nH]nc(C(F)(F)F)c2Oc2ccccc2)c1O 4147123 FJKWWFQJFBYJRC-UHFFFAOYSA-N 350.296 4.607 0 50 FJAA CC[C@H](C)C(=O)NC[C@H]1Cc2cc(-c3ccc(SC)cc3)ccc2O1 12218167 LSNFLTIBYOUDGF-KBXCAEBGSA-N 355.503 4.541 0 50 FJAA Cn1cc(CNCc2cccnc2Oc2ccccc2)c(-c2ccccc2)n1 12305401 DPQUSYLSIRDAFY-UHFFFAOYSA-N 370.456 4.564 0 50 FJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 12467675 WDSCCIPHNPNLQA-MRXNPFEDSA-N 364.514 4.985 0 50 FJAA CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccn[nH]2)cc1 15074753 SPGMIMPOVKRAPX-JOCHJYFZSA-N 374.513 4.761 0 50 FJAA COc1cc(C)c(CN(C(=O)c2cc(C)no2)C2CCCCC2)cc1C 97425323 VZPSKANPKMYXML-UHFFFAOYSA-N 356.466 4.584 0 50 FJAA COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)O[C@H]1CCCC[C@@H]21 103018979 YFFANTJXDLXGOI-ICSGCJEQSA-N 368.429 4.578 0 50 FJAA CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c(C(=O)c5ccccc5)c(O)c4[C@@H]1[C@H]23 253388700 BQIVXBUAUNSLAJ-YECIBEDOSA-N 364.441 4.630 0 50 FJAA biogenic,in-vitro CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1ccc3ccccc3c1)CC2 426361865 APVBTIIPEDHXTR-TZRRMPRUSA-N 365.517 4.778 0 50 FJAA COc1ncc(NCc2ccc(-c3nc4ccccc4s3)o2)cc1C 1875336054 RAGABOVLQSAXKJ-UHFFFAOYSA-N 351.431 4.880 0 50 FJAA Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCC[C@@H]2CCCN12 2325841764 FPRHKHZCTKMYEN-KNQAVFIVSA-N 363.505 4.563 0 50 FJAA CCc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2oc1=O 1141656 TXCWGLXYCXZDLJ-UHFFFAOYSA-N 372.804 4.625 0 50 FJAA COc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2638459 TXUSILODAKOVBE-UHFFFAOYSA-N 373.758 4.557 0 50 FJAA O=C(Nc1ccccc1Oc1ccccc1)c1cc2ccccc2oc1=O 2772920 BEAYTDZIZPHZAI-UHFFFAOYSA-N 357.365 4.838 0 50 FJAA Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 2841788 PJFKSWXRSAXGMZ-UHFFFAOYSA-N 366.671 4.639 0 50 FJAA CSc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1 2916139 OKSQNBXSOPCNPW-LFIBNONCSA-N 356.472 4.514 0 50 FJAA Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1 4166153 BWKKUEBLOTTZMO-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA CCCCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 4619085 KDALMMVZIYFPBF-UHFFFAOYSA-N 356.495 4.896 0 50 FJAA biogenic CCC[C@@](O)(c1ccc(O)cc1)[C@H](CN1CCCCC1)c1ccccc1 16490211 PHQMTFDPHUMHIK-DHIUTWEWSA-N 353.506 4.650 0 50 FJAA COc1ccc(/C=C/CN2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1 20452808 VIXXASXDSHVVET-FHHGHWCOSA-N 353.510 4.510 0 50 FJAA C[C@H](c1cccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)c1)N(C)C 67818544 NKCYESCIAKIYBE-QGZVFWFLSA-N 371.488 4.611 0 50 FJAA Cc1cccc([C@@H](NC(=O)CCc2scnc2C)c2cccs2)c1 82109322 YPZSIBOQXKGLEB-LJQANCHMSA-N 356.516 4.660 0 50 FJAA CCCOc1cccc(CSc2nnc(C3CC3)n2Cc2ccco2)c1 253424954 MXUDGADZNJWGHB-UHFFFAOYSA-N 369.490 4.878 0 50 FJAA CCc1nnc(O)c(-c2nc(C3CCC(F)(F)CC3)cs2)c1CC 330276982 NQRIZWDMXPZXLB-UHFFFAOYSA-N 353.438 4.723 0 50 FJAA CCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl 1130232 GFPRFTJDQQACST-UHFFFAOYSA-N 370.232 4.662 0 50 FJAA O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1140131 MKXVSRNLLSNWLR-UHFFFAOYSA-N 367.807 4.891 0 50 FJAA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1 1227818 DBZLWFQYHFVGSN-UHFFFAOYSA-N 367.655 4.965 0 50 FJAA O=C(O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1728979 HXUKHSXNXWMNGH-WYMLVPIESA-N 360.409 4.942 0 50 FJAA in-vitro O=C(NCc1ccco1)c1ccc(COc2cc(Cl)ccc2Cl)o1 2749779 VJWXVTHVVNXPQH-UHFFFAOYSA-N 366.200 4.688 0 50 FJAA Cc1ccc(OCCOCCOc2cccc3ccc(C)nc23)c(Cl)c1 2823201 WRLQZJWCSWLPBM-UHFFFAOYSA-N 371.864 4.979 0 50 FJAA O=C(Nc1ccccc1)C12CC3CC(C1)CC(C(=O)Nc1ccccc1)(C3)C2 4031869 GSBFYIUPDKGHMW-UHFFFAOYSA-N 374.484 4.850 0 50 FJAA O=S(=O)(c1ccccc1)N(Cc1ccccc1Cl)c1ccccc1 4951392 RIIYSWBOFVRACU-UHFFFAOYSA-N 357.862 4.736 0 50 FJAA Cc1ccccc1CSCc1nnc(S)n1[C@@H](C)c1ccccc1 6789654 NYWFDNHNKOAILH-HNNXBMFYSA-N 355.532 4.918 0 50 FJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2cccc(OC)c2)s1 8743175 DPMXHFUYKVGULU-INIZCTEOSA-N 368.462 4.733 0 50 FJAA CCn1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c1C 12441908 URKWGAOENROFBU-LJQANCHMSA-N 367.537 4.604 0 50 FJAA CCCC(=O)N(c1ccccc1)C1CCN([C@H](C)Cc2ccccc2)CC1 32164829 IPIGJTVNMCMXMT-HXUWFJFHSA-N 364.533 4.915 0 50 FJAA in-vitro Cc1ccccc1Oc1ncccc1CNCc1cccn1-c1ccccn1 55269931 ZEVDXMFWDXDPHP-UHFFFAOYSA-N 370.456 4.658 0 50 FJAA CC(C)CN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccc(F)cc12 63882652 BKWVJENKZFIDAE-UHFFFAOYSA-N 368.456 4.546 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)oc2c1 82147750 XADVQGCKMROYPW-NSHDSACASA-N 358.463 4.656 0 50 FJAA CCCCCCC1=NN2[C@H](c3ccc(Cl)cc3)Oc3ccccc3[C@H]2C1 239331294 KLBPIDLYDHSJTG-IRLDBZIGSA-N 368.908 6.504 0 50 FJAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1Cl 248174255 YIFKVQREBRTGFQ-XAMWDVODSA-N 367.876 4.831 0 50 FJAA CCCn1cnc2cc(NC(=O)N3CCCC[C@@H]3c3nccs3)ccc21 299778956 PHBFCYLAOPAMNZ-QGZVFWFLSA-N 369.494 4.662 0 50 FJAA CC(=O)c1cccc(-c2ccc(C(=O)NCCCC[C@@H]3CCCO3)cc2)c1 426372548 ZEJPADGLHXMTQX-JOCHJYFZSA-N 365.473 4.635 0 50 FJAA CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc4ccncc4c3)o2)cc1 900767173 MYRITUOVLCOIIG-UHFFFAOYSA-N 357.365 4.917 0 50 FJAA Cc1cc(C(=O)N(C)Cc2ccnc3ccccc23)ccc1OC(F)(F)F 1875346268 YEWMFRCMBOSFSF-UHFFFAOYSA-N 374.362 4.714 0 50 FJAA COc1cccc(NC(=O)c2ccc(COc3cccc(OC)c3)cc2)c1 1002040 IKIKGXVJASXNRM-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA O=Cc1ccc(OC(=O)c2cc(Cl)ccc2Cl)c(Br)c1 1163519 YDQZKVAKFHUAFF-UHFFFAOYSA-N 374.017 4.788 0 50 FJAA CCOc1cccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)c1 1193526 WXQNNFRJWPRHFO-SXGWCWSVSA-N 362.212 4.737 0 50 FJAA O=C(CSc1ccc2ccccc2n1)c1ccc(Br)cc1 1226779 RBUNLBABXQCUOB-UHFFFAOYSA-N 358.260 4.972 0 50 FJAA Cc1cc(Br)cc(C)c1NC(=O)CSc1ccccc1 2856964 KGVZANIJYLEVAP-UHFFFAOYSA-N 350.281 4.797 0 50 FJAA CN(Cc1nccs1)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 12203930 MNVQKIICCOERND-SFHVURJKSA-N 370.905 4.977 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)cc1 15067842 DRBXNLPWSGZYOP-OAHLLOKOSA-N 371.406 4.874 0 50 FJAA Clc1cccc(-c2noc(CN(Cc3ccccc3)CC3CC3)n2)c1 15076377 VBUGBYCQFNBXEC-UHFFFAOYSA-N 353.853 4.802 0 50 FJAA Cc1ccc(C)c(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1 20616050 JOUVAMPKZLGZFP-UHFFFAOYSA-N 353.369 4.523 0 50 FJAA Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)o1 225554797 KTFMGRDYKBLJLI-DRUFCSCSSA-N 361.445 4.745 0 50 FJAA CCSc1ccccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 299771627 ROFBZMOLGLUOTC-SFHVURJKSA-N 369.534 4.537 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1 299799523 SCVIHUDOAXWLGN-GOSISDBHSA-N 355.413 4.543 0 50 FJAA CCCc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C4(O)CC4)C3)cc2)cc1 1772815718 YRFAZMFOBFABNX-JOCHJYFZSA-N 363.501 4.683 0 50 FJAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C[C@H]2CCCCC[C@@H]21 1875264159 FZJHOSKJWSMOOW-MOPGFXCFSA-N 363.505 4.681 0 50 FJAA C[C@@H](N=c1[nH]c(Cl)cc2ccccc12)c1ccc(NC(=O)C2CC2)cc1 1875337450 UVCZSIYFVXCRDV-CYBMUJFWSA-N 365.864 4.832 0 50 FJAA Cc1cccc(-c2nc(-c3cscn3)nn2-c2ccc3ccccc3c2)n1 1875348198 IZKDASPLVFXLFZ-UHFFFAOYSA-N 369.453 4.914 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1 1459725 WHNKWHSARDHGAS-IRXDYDNUSA-N 359.473 4.723 0 50 FJAA Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 2469530 ZWZWTRHNCZBJOL-HNNXBMFYSA-N 365.454 4.654 0 50 FJAA CCN(CC)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 2620577 YASGHQZDINUWBR-UHFFFAOYSA-N 366.486 4.969 0 50 FJAA CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 2983578 NIBDGGKHMSDTAA-UHFFFAOYSA-N 362.882 4.646 0 50 FJAA Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1 5380525 KQFCXSIBHVRJEY-CJLVFECKSA-N 370.452 4.713 0 50 FJAA C/C(=C\c1ccco1)CN1CCC2(CC1)C[C@H]2C(=O)Nc1cccc(F)c1 11975824 XPRONZQBWUNUOP-GRFAERAESA-N 368.452 4.563 0 50 FJAA CCn1cc(CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)c(C)n1 14969037 JHOVHSYTIQFFQC-OAQYLSRUSA-N 367.518 4.717 0 50 FJAA C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 19418402 KXVVDDZQFBVBQJ-LJQANCHMSA-N 370.496 4.736 0 50 FJAA CCCc1nc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cs1 91624885 VBROZPXHCMWCQB-OAHLLOKOSA-N 374.897 4.603 0 50 FJAA c1cncc([C@@H]2CCCCN2Cc2ccc(CN3CCCCC3)s2)c1 216367765 QJWQTYAPUISXMB-NRFANRHFSA-N 355.551 4.856 0 50 FJAA Cc1cc2cc[nH]c2cc1NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 333035906 DFMOJDPCVCTGLN-ZWWNWMABSA-N 367.493 4.678 0 50 FJAA Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H](C)c1cncs1 2325704059 IWRYFXMSSUHWPT-HNNXBMFYSA-N 360.523 4.785 0 50 FJAA O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1c(F)cccc1Cl 2325871460 MCDZHWCFIZZXNO-IBGZPJMESA-N 368.839 4.934 0 50 FJAA O=C(Nc1nccc2ccccc12)c1cc2cc(Br)ccc2o1 628893 GUFUESNUTUNDHM-UHFFFAOYSA-N 367.202 4.996 0 50 FJAA COc1cccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 989552 UEEFCZKSZWUWKL-UHFFFAOYSA-N 371.392 4.721 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)c(Cl)c1Cl 1127393 BRGORKPWDUZFSF-UHFFFAOYSA-N 374.289 4.926 0 50 FJAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc2ccccc12 1177147 MPNHORXATQRCAO-UHFFFAOYSA-N 354.862 4.928 0 50 FJAA COc1cc(SC)ccc1C(=O)Nc1ccc(Br)c(C)c1 1179961 ZJUMATVHFRCEJY-UHFFFAOYSA-N 366.280 4.740 0 50 FJAA CCc1cccc(CC)c1N(C(=O)CC1CCCCC1)[C@H](C)C(=O)OC 1230697 WHIDDYLJJPPIHO-MRXNPFEDSA-N 359.510 4.676 0 50 FJAA COc1ccccc1OCCCC(=O)Nc1cc(Cl)cc(Cl)c1 1893001 PEBARHKQIMGLQR-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 2376779 GEELEFUXLRWAAG-UHFFFAOYSA-N 365.289 4.566 0 50 FJAA O=Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1 2558297 KPOACOWTGIHXFV-UHFFFAOYSA-N 359.141 4.859 0 50 FJAA CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 3893409 MCRQRUUSZBUDOJ-UHFFFAOYSA-N 357.413 4.813 0 50 FJAA Clc1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1 4980416 YLHNXEFEKGQGGX-UHFFFAOYSA-N 352.865 4.922 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)CCc1ccccc1 5077883 VOLQUORQMIKWRZ-QZTJIDSGSA-N 364.489 4.661 0 50 FJAA Sc1nnc(COc2ccc(-c3ccccc3)cc2)n1-c1ccccc1 5557305 YMTCAUNMUYRNKD-UHFFFAOYSA-N 359.454 4.802 0 50 FJAA CC(=O)c1cccc(OCCOc2ccc(OCc3ccccc3)cc2)c1 8730015 QHNZKDDSQRNEFC-UHFFFAOYSA-N 362.425 4.926 0 50 FJAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(C3CCC3)C2)cc1 12459440 GJABBEZHXXGTLD-GOSISDBHSA-N 364.489 4.565 0 50 FJAA Sc1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1 17073532 YAUYUFZPPBNIRC-UHFFFAOYSA-N 355.532 4.807 0 50 FJAA CCn1ncc(Cl)c1CN(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 17779990 XVCZIGAFNAANBD-ODNNXGBQSA-N 363.933 4.511 0 50 FJAA Cc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(Cl)ccc12 19720856 QMNSYVCDZRYFHA-UHFFFAOYSA-N 355.844 4.662 0 50 FJAA CCOc1ccccc1N1CCN(Cc2cccc(Cl)c2Cl)CC1 55543965 PBZDRMPQEVGVRC-UHFFFAOYSA-N 365.304 4.714 0 50 FJAA Oc1cccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)c1 72167515 UPKUGOVHYJTFRF-UHFFFAOYSA-N 363.804 4.748 0 50 FJAA CCCN(Cc1ccccc1)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 248319386 QIYXRCMWBVNVIS-DYESRHJHSA-N 361.913 4.691 0 50 FJAA C[C@@H](Cc1ccco1)N1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 252488810 IZNAMGDXRXEQDO-ZDUSSCGKSA-N 365.458 4.596 0 50 FJAA Cc1csc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1Cl 252496071 PEQCZSZDBCCCKX-UHFFFAOYSA-N 359.882 4.606 0 50 FJAA Cc1cc(-c2nc(-c3ccc(OC(C)C)cc3C(F)(F)F)no2)no1 445230654 LGUYDTFHTTXDTR-UHFFFAOYSA-N 353.300 4.506 0 50 FJAA C[C@@H](OC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccncc1 860208173 SDXQZGQMTMGQJR-BZNIZROVSA-N 368.260 4.752 0 50 FJAA Brc1cccc2nc(-c3cnc(-c4ccncc4)s3)[nH]c12 2325776471 PYKXYVQFZOIPDO-UHFFFAOYSA-N 357.236 4.511 0 50 FJAA O=C(/C=C/c1ccco1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 692345 XNFYXLQGOWKWNV-VAWYXSNFSA-N 357.369 4.649 0 50 FJAA Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 944622 KQRUHLRIQGLHOJ-UHFFFAOYSA-N 364.257 4.951 0 50 FJAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)o1 1102548 YFWBKSPGBGDOHH-UHFFFAOYSA-N 368.536 4.967 0 50 FJAA S=C(Nc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl 1119712 FSVYOQLPJGKWKW-UHFFFAOYSA-N 355.246 4.574 0 50 FJAA Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(Cl)c1 1152240 PYHIXFQWEJDJAX-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA COc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)cc1 1177723 SIYHDMUQCIENHY-UHFFFAOYSA-N 374.849 4.843 0 50 FJAA Cc1ccc(C(=O)C[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 1213636 CWPMAAZRCOYOMN-NRFANRHFSA-N 368.454 4.684 0 50 FJAA O=C(Nc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)c1ccco1 5014161 PTWXCJASMKCMCG-MDWZMJQESA-N 357.369 4.752 0 50 FJAA CC(C)(C)c1cc(-n2ccnc2)n2ncc(-c3ccccc3Cl)c2n1 5208980 HLMIJACSQWNLMQ-UHFFFAOYSA-N 351.841 4.533 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccc(F)c(F)c1)C2 11909764 KGMSPWNYCUOVOA-UHFFFAOYSA-N 373.424 4.794 0 50 FJAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cc1 12154651 GVGUBYJKLHGXNO-HXUWFJFHSA-N 361.489 4.773 0 50 FJAA Cc1cc(CNC(=O)c2cnoc2C)c2[nH]c(-c3ccccc3)c(C)c2c1 71751639 MPXRWAGWEZERRR-UHFFFAOYSA-N 359.429 4.678 0 50 FJAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 95365833 SZJBVTDBUWLBMA-IBGZPJMESA-N 371.500 4.551 0 50 FJAA Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C 152074347 FFMIKZDQZANUMJ-OLZOCXBDSA-N 372.900 4.721 0 50 FJAA c1ccc2[nH]c([C@H]3CCCN3Cc3cnc(C4CCCCC4)nc3)nc2c1 215604207 HCKSXGVQQVYNJD-HXUWFJFHSA-N 361.493 4.738 0 50 FJAA O=C(NCCC[C@@H]1CCOC1)c1ccc(-c2ccc(F)c(Cl)c2)cc1 426528171 ZTZIVCGPQNTJLA-CQSZACIVSA-N 361.844 4.693 0 50 FJAA CCc1csc(CNC(=O)c2ccc(CSc3ccccc3)o2)n1 823543017 PRLGCLBQXFQOBE-UHFFFAOYSA-N 358.488 4.521 0 50 FJAA Cc1nc(NC(=O)Cc2noc3ccccc23)cc(-c2ccccc2)c1C 1857710259 NZGATUMUQKNYPX-UHFFFAOYSA-N 357.413 4.688 0 50 FJAA Cc1ccc(C(=O)N[C@H](Nc2cc(C)ccc2C)C(=O)c2ccccc2)cc1 622983 OZXBHLUWCIZRHU-QHCPKHFHSA-N 372.468 4.663 0 50 FJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 822779 KPLPOQCAINMRDK-HNNXBMFYSA-N 358.397 4.901 0 50 FJAA C[C@@H]1CN(C(=S)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 1050764 XLGSPGIOZXDQEM-ZIAGYGMSSA-N 363.567 4.772 0 50 FJAA O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 1415113 FEHVUEOXOLCYEB-UHFFFAOYSA-N 373.890 4.590 0 50 FJAA c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 4154673 LMMKBNXBWCWDKV-AUSIDOKSSA-N 370.408 4.658 0 50 FJAA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC3(C)C)cc1OC 5500033 COEPCGWUYHYVHS-MRXNPFEDSA-N 372.852 4.637 0 50 FJAA Cc1ccc(Cn2cc(/C=C3\SC(=O)N(C)C3=O)c3ccccc32)cc1 13880994 DCUCRTAPOLXTHY-ODLFYWEKSA-N 362.454 4.664 0 50 FJAA Cc1ccsc1CN1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 15071122 JQCVYRKEIPTXGW-MRXNPFEDSA-N 355.482 4.965 0 50 FJAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O 34961954 DPZIOENSPXELQY-JYFGGXQQSA-N 362.510 4.715 0 50 FJAA in-vitro C[C@@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl 170623433 RVMBQMFUNIBPPN-WHEQGISXSA-N 356.318 4.794 0 50 FJAA CCOC(=O)c1sc(-c2ccc3nc(-c4cccs4)[nH]c3c2)nc1C 219036446 RVZXOGSAZWZEIG-UHFFFAOYSA-N 369.471 4.900 0 50 FJAA COc1cccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)c1 239433965 YUSNVRPMAQCXJP-GGAORHGYSA-N 374.415 5.077 0 50 FJAA C[C@H]1[C@H](C)CCC[C@H]1NCc1cn(Cc2ccccc2)nc1-c1cccnc1 239667447 BQDRHTAKHRGNGD-SELNLUPBSA-N 374.532 4.908 0 50 FJAA COc1ccc(-c2ccccc2)cc1NC(=O)N1CCC(CSC)CC1 299766914 CQTMOFLUISRFNU-UHFFFAOYSA-N 370.518 4.969 0 50 FJAA O=C(NOCCOc1ccccc1)c1cc2cc(-c3ccccc3)ccc2[nH]1 2325866618 RVPIOYZMCRDVDF-UHFFFAOYSA-N 372.424 4.575 0 50 FJAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(F)cc1 657191 UYZJQCWVOPFZOO-UHFFFAOYSA-N 369.417 4.902 0 50 FJAA COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c2ccccc12 1109903 OVNMOZJVEDKFHZ-UHFFFAOYSA-N 361.850 4.611 0 50 FJAA S=C(c1c[nH]c2ccc(Br)cc12)N1CCc2ccccc2C1 1111851 GNAGFOAVXVWWEN-UHFFFAOYSA-N 371.303 4.664 0 50 FJAA CC(=O)Oc1c(C(C)=O)c2ccccn2c1-c1ccc(C(F)(F)F)cc1 1406430 VQYKEKYAGVJYQA-UHFFFAOYSA-N 361.319 4.753 0 50 FJAA Cc1cc(C)nc(NC(=S)Nc2ccc(Br)cc2Cl)c1 2858176 XFWZWXXCNIKWFR-UHFFFAOYSA-N 370.703 4.923 0 50 FJAA CCOc1cc(Br)c(CN[C@@H](C)c2ccccc2)cc1OC 4856503 GAKDMWVYOSORAG-ZDUSSCGKSA-N 364.283 4.707 0 50 FJAA CCN(CC)c1ccc2cc(C(=O)Nc3c(C)cccc3C)c(=N)oc2c1 6517591 CASUWTKGCBPHGI-UHFFFAOYSA-N 363.461 4.628 0 50 FJAA COc1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1Br 22023223 FOVARMAZZDHLBE-QGZVFWFLSA-N 361.283 4.580 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)on1 33269997 PHYKSKWBMDVRLF-KRWDZBQOSA-N 357.454 4.811 0 50 FJAA CCCCN(Cc1ccsc1)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 96141258 NWIYNJZENZEYPK-UHFFFAOYSA-N 370.478 4.941 0 50 FJAA C[C@@H](CC(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1F 132458823 SWTGPYUVOYUPFI-AWEZNQCLSA-N 369.415 4.507 0 50 FJAA Cc1ccc(CN(C(=O)NCc2cccn2C)[C@@H]2CCc3ccccc32)cc1 466971535 SCWFQVPQNOYALU-HSZRJFAPSA-N 373.500 4.733 0 50 FJAA CC[C@@H](NC(=O)c1ccc(-c2ccc(C(C)C)nn2)cc1)c1cc(C)ccn1 584902069 PEGYFOFMXPHVFS-LJQANCHMSA-N 374.488 4.852 0 50 FJAA C[C@@H]1CC[C@H](C2CCCCC2)CN1C(=O)c1cccc2ccc(O)nc12 1875327758 JYGHNHAULAOOLF-QAPCUYQASA-N 352.478 4.761 0 50 FJAA Cc1nc(-c2ccncc2)nc(N2CC[C@H](C)[C@@H](c3ccccc3)C2)c1C 1875359103 UIXJGLOCICUPFJ-KKSFZXQISA-N 358.489 4.785 0 50 FJAA O=C(Oc1ccc(-c2ccc(OC(=O)c3ccco3)cc2)cc1)c1ccco1 625648 KUEYRCBSTCNCQW-UHFFFAOYSA-N 374.348 4.978 0 50 FJAA Cc1ccc(C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C)cc1 840884 HUWHMIJHFUTKCV-SWLSCSKDSA-N 362.256 4.670 0 50 FJAA Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 959336 ABBSHAGOIAEIIV-UHFFFAOYSA-N 356.422 4.584 0 50 FJAA CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)c1ccccc1 993957 WCMIWQBDVFTJTO-DZGCQCFKSA-N 371.502 4.792 0 50 FJAA CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1181412 PGMFWOITQCBOGK-UHFFFAOYSA-N 374.465 4.683 0 50 FJAA Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 2821794 XETJGRBNXWEFOH-UHFFFAOYSA-N 368.702 4.970 0 50 FJAA OCCNC(Nc1ccc(Cl)cc1)=C(c1ccccc1)c1ccccc1 2948045 SNGWUMDVWCKFTI-UHFFFAOYSA-N 364.876 4.751 0 50 FJAA COc1cc(C)ccc1OCCCOc1cccc(Br)c1 4702139 ZDCCBHLANUMTOZ-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA CCOc1ccccc1CN1CCC(CO)(Cc2ccccc2Cl)CC1 11818591 SDIGWTPULWZKPR-UHFFFAOYSA-N 373.924 4.556 0 50 FJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCC2(C)CC2)C1 12021887 PZVLZBGCQMXMOR-SFHVURJKSA-N 351.494 4.582 0 50 FJAA COCC1CCN(C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 12717799 QWQFJUQEHLGPLO-OAQYLSRUSA-N 371.908 4.747 0 50 FJAA CCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1 20605559 MPADOMTXWWCLAP-UHFFFAOYSA-N 358.323 4.792 0 50 FJAA COc1ccc(-c2cccc(-c3ccn(Cc4ccccn4)n3)c2)c(OC)c1 20821077 DPLVGJBXMJXTMI-UHFFFAOYSA-N 371.440 4.678 0 50 FJAA COC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 38827239 NLSUCNKNEPJLAV-UHFFFAOYSA-N 368.436 4.510 0 50 FJAA C[C@@H](C(=O)NCc1cccnc1Oc1ccc(F)cc1F)c1ccccc1 67713085 UZWGIZGEHWUNCJ-CQSZACIVSA-N 368.383 4.572 0 50 FJAA c1ccc(-c2ncn([C@H]3CCNC3)c2-c2c[nH]nc2C2CCCCC2)cc1 67934034 NXCYONBBHZCFHQ-SFHVURJKSA-N 361.493 4.522 0 50 FJAA Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nccn4C(C)C)C3)c(C)c2c1 95367505 DEJMPUHSLCWZGY-QGZVFWFLSA-N 365.477 4.847 0 50 FJAA COc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3Cl)s2)cc1 170643155 BATUKKYQJSIXKG-UHFFFAOYSA-N 362.813 4.864 0 50 FJAA COc1ccc(CN(C)C(=O)c2cccc(-c3ccc(C)o3)c2)cc1OC 216188995 KPUMKERHXUOJDX-UHFFFAOYSA-N 365.429 4.544 0 50 FJAA CC(=O)N(C)c1ccc(CNC(=O)CC2CCC(C(C)(C)C)CC2)cc1 1461640210 FGSYAQNGRFPXKP-UHFFFAOYSA-N 358.526 4.528 0 50 FJAA Cc1cccc(CN(C(=O)c2cnc(O)c(Cl)c2)C2CCCCC2)c1 1506420807 CPHNCNZMBVQPFI-UHFFFAOYSA-N 358.869 4.724 0 50 FJAA Cc1ccccc1[C@@H](CC(C)C)NC[C@H](CO)Cc1ccc(F)c(F)c1 2325841437 UZDKMJJULWQEGV-XMSQKQJNSA-N 361.476 4.801 0 50 FJAA CCCCC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)c1ccccc1 2325842258 SHUHTTVDAHPRFW-QGZVFWFLSA-N 367.424 4.526 0 50 FJAA Cc1cc(NC(=O)CSCc2ccccc2)ccc1Br 641940 OZQQZJWJEIXWOV-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA CCn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1 655460 BRAUCODLBQULTH-UHFFFAOYSA-N 374.897 4.857 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)c1ccccc1I 1230030 NVWFABZEMVDTIR-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA Cc1ccc(C(=O)O)cc1NC(=O)c1sc2cc(F)ccc2c1Cl 2503226 HQIXGKBYGCWFIF-UHFFFAOYSA-N 363.797 4.953 0 50 FJAA CCOc1ccc(-c2cc(NC(=O)OC(C)(C)C)c(C(=O)O)s2)cc1 2528640 QADBOISGJJUKFW-UHFFFAOYSA-N 363.435 4.859 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 2912024 ZHGQOXLKIZHWIO-OAHLLOKOSA-N 356.476 4.605 0 50 FJAA CCOc1cccc(OCCOc2ccc(C)cc2Br)c1 2983527 BJESXWHMSIRCAH-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA C[C@@]1(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1(Cl)Cl 2998941 TYBKZDQICCYCEL-HNNXBMFYSA-N 356.249 4.641 0 50 FJAA Cc1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67886153 VZUAQDJGTXFRMM-KRWDZBQOSA-N 350.245 4.516 0 50 FJAA C1=C[C@H]2C[C@H]1C[C@H]2CN1CCN(C2CCC(c3ccccc3)CC2)CC1 100648053 ULGPPVIOBMVUAF-TVDXTENDSA-N 350.550 4.543 0 50 FJAA CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 171165612 XQBKVGPLWJYEHI-CYBMUJFWSA-N 368.359 4.552 0 50 FJAA 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 253501675 WVHKCBDRQIXZLC-VFKRBHBSSA-N 360.494 4.582 0 50 FJAA O=C1C[C@H](c2ccncc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585244 GQQXGPUTIOMMCL-GOSISDBHSA-N 353.425 4.559 0 50 FJAA biogenic Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc2nc(C)n(C)c2c1 332114368 UQZVXDMXDKSMDK-ZDUSSCGKSA-N 370.522 4.603 0 50 FJAA Cc1ccc([C@H]2CCCCN2C(=O)Nc2c[nH]nc2-c2nccs2)cc1 333739354 QWLDEOGPLSJZPN-MRXNPFEDSA-N 367.478 4.601 0 50 FJAA CC(C)C1CCC([C@@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325841145 FSEWDTMPBCCCTP-WJXHAUQLSA-N 357.538 4.509 0 50 FJAA COc1ccccc1NC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl 718861 ZCJUZBMBLZTJSI-UHFFFAOYSA-N 366.031 4.956 0 50 FJAA CC(=O)Nc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 1088648 PRBJSHUDIRYOCK-UHFFFAOYSA-N 358.441 4.806 0 50 FJAA Cc1ccc(N[C@@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233925 DREPDIDPCAWMMR-AWEZNQCLSA-N 372.683 4.925 0 50 FJAA CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 1902753 BKYRHVKJXDNXRQ-UHFFFAOYSA-N 354.377 4.536 0 50 FJAA biogenic O=C(NCc1ccco1)c1ccccc1NC(=O)c1cccc2ccccc12 4865622 RKIOWOSLLDQGPQ-UHFFFAOYSA-N 370.408 4.615 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1 11815570 NADVLCCDJWSBTB-KRWDZBQOSA-N 373.543 4.768 0 50 FJAA COc1cccc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1 12385808 IMLIHJJZHIJFOA-SFHVURJKSA-N 355.503 4.512 0 50 FJAA CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCc1ccccc1 19791953 QAUDJDCBSNEASI-UHFFFAOYSA-N 354.837 4.985 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36621108 CSJDNDKQXNMIFF-GOSISDBHSA-N 372.852 4.886 0 50 FJAA CCCCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67712787 CJTSDSUVNIAZDB-UHFFFAOYSA-N 359.853 4.624 0 50 FJAA O=C(Oc1cccc2cccnc12)c1cn(CCCCCO)c2ccccc12 95726700 JEBNZZQRKQILOJ-UHFFFAOYSA-N 374.440 4.571 0 50 FJAA in-vitro COc1ccc(N[C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cn1 123809934 KHQYEWWWWFRNNA-SECBINFHSA-N 365.220 4.620 0 50 FJAA Cc1cc(Nc2ncncc2-c2nc(-c3ccccc3)no2)ccc1Cl 169749813 SOIQCOUZDQYBJJ-UHFFFAOYSA-N 363.808 4.899 0 50 FJAA Cc1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c2n[nH]cc2c1 328771968 AWKFXYIBAXRISG-ZDUSSCGKSA-N 356.495 4.593 0 50 FJAA Cc1cccc(CN(C(=O)c2cc(C(F)F)nn2C)C2CCCCC2)c1 952966520 IAULWANIDQDRMS-UHFFFAOYSA-N 361.436 4.641 0 50 FJAA Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1ccc2c(Cl)cccc2n1 2325725570 MHCBNCWBVNIOSH-AWEZNQCLSA-N 373.865 4.757 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2nc(C3CCC(C)(C)CC3)cs2)cc1 2325866870 CMSGUKOQGPHRKY-UHFFFAOYSA-N 364.536 4.936 0 50 FJAA CCCc1ccc(Oc2c(C)oc3cc(C(=O)OC)ccc3c2=O)cc1 632198 UJURJSXXHZXQLE-UHFFFAOYSA-N 352.386 4.633 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)NC2CCCCC2)cc1 658375 WUUANFNNVSSUIK-UHFFFAOYSA-N 370.880 4.584 0 50 FJAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 955044 PERLSVSNDQBFOO-MDWZMJQESA-N 373.408 4.646 0 50 FJAA COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)cc1 1138009 HOQISJOHWQWHEV-UHFFFAOYSA-N 356.425 4.678 0 50 FJAA CCN(Cc1ccccc1)C1CCN(Cc2ccc(SC)cc2)CC1 1157793 QYBAPVCAKUOYGY-UHFFFAOYSA-N 354.563 4.895 0 50 FJAA CCc1ccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)cc1 1910480 FIJUPCLJGMWNMV-UHFFFAOYSA-N 354.475 4.965 0 50 FJAA O=C(CCSc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 2531687 YMFXAJUFJISJDR-UHFFFAOYSA-N 350.283 4.886 0 50 FJAA COc1cccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)c1 4770050 BAAAIWOZLBSPCZ-BUHFOSPRSA-N 372.399 4.704 0 50 FJAA Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 6433662 FZHZNOPCDFDJBN-UHFFFAOYSA-N 374.799 4.915 0 50 FJAA O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccccn1 12560474 SXIUVKCIPXGESL-RMKNXTFCSA-N 355.393 4.947 0 50 FJAA biogenic O=C(Nc1ccc(Oc2ccsc2C(=O)O)cc1)c1ccccc1F 12959064 PJEMSEBOWVMKSR-UHFFFAOYSA-N 357.362 4.630 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3c(C)noc3C)c2c1 77521543 LRWGBEWQZNDBNA-FQEVSTJZSA-N 363.461 4.688 0 50 FJAA Cn1ccnc1-c1ccccc1C(=O)N1CCCC[C@H]1CCc1ccccc1 92001650 LYDNOALDIZIWAZ-FQEVSTJZSA-N 373.500 4.715 0 50 FJAA O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)c1sccc1Cl 828234790 OEYRSZQOOYIGNL-AWEZNQCLSA-N 351.855 4.602 0 50 FJAA O[C@@H](c1cccs1)C1CCN(Cc2ccccc2C(F)(F)F)CC1 952984773 ZKSZMNDNDGFVCI-QGZVFWFLSA-N 355.425 4.713 0 50 FJAA O=C(c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 631052 DVZAJQMGDDQZEQ-UHFFFAOYSA-N 358.279 4.544 0 50 FJAA COc1ccc(C)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C 869720 PFFLMOKVGGGLKL-UHFFFAOYSA-N 356.809 4.873 0 50 FJAA Cc1ccc(NC(=O)c2ccc(OC(=O)CCc3ccccc3)cc2)cc1 957936 MCWJVWVWSYKHPX-UHFFFAOYSA-N 359.425 4.786 0 50 FJAA Cc1cc(C)c2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3O)nc2c1 1205020 MAWZCOPRNOIEJW-UHFFFAOYSA-N 372.424 4.998 0 50 FJAA Fc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1 1226073 YOAFBECNWOPDFE-UHFFFAOYSA-N 360.476 4.780 0 50 FJAA Cc1ccc(-c2nc(CN3CCCC[C@H]3CCn3cccn3)c(C)o2)s1 12030420 PLJUETWQQISXPN-KRWDZBQOSA-N 370.522 4.661 0 50 FJAA CCc1ccccc1NC(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 15080672 NVAIQGRZIFKYON-UHFFFAOYSA-N 365.408 4.633 0 50 FJAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CNCCc2ccco2)o1 19744893 ZTGPFVFCGDMLDT-UHFFFAOYSA-N 365.408 4.505 0 50 FJAA COc1ccc(CCN(C)c2cc(C)c3ccc(Cl)cc3n2)cc1OC 23634002 JAFGVJGPFBNRCC-UHFFFAOYSA-N 370.880 4.893 0 50 FJAA FC(F)(F)Oc1cc(Br)c(Cl)c(Br)c1 36532766 CSRRRPRAILJYON-UHFFFAOYSA-N 354.347 4.764 0 50 FJAA O=C(c1cscn1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71738617 YLBPPASVYVZUTM-AWEZNQCLSA-N 368.424 4.647 0 50 FJAA CSc1ccc2c(C)cc(N3CCC[C@H](Cn4ccnc4C)C3)nc2c1 77285643 MOPCQMJGQDHYNM-QGZVFWFLSA-N 366.534 4.687 0 50 FJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc3cc(C)oc23)C1 95365297 SEBSNZPYBUNJRZ-GOSISDBHSA-N 365.477 4.758 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(=O)c2c1 136116723 TZXFIAVQRGFFJR-HXOBKFHXSA-N 352.522 4.854 0 50 FJAA NC(=S)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 215855080 WLYSDSBFLJUQLW-UHFFFAOYSA-N 363.273 4.502 0 50 FJAA O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(F)c(C(F)F)c1 1435180930 JCUGHVJOCRCYOD-UHFFFAOYSA-N 367.327 4.673 0 50 FJAA Cc1nc(NC(=O)c2cnc(O)c3ccccc23)cc(-c2ccccc2)c1C 1857722948 QSWPLZUSSUDZCQ-UHFFFAOYSA-N 369.424 4.872 0 50 FJAA Cc1cc([C@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)cs1 1875338957 QYXCFWVDAJKWRB-HNNXBMFYSA-N 351.475 4.555 0 50 FJAA CCc1cccc(CN2CCC[C@@H](NC(=O)CC3(C)CCCC3)[C@@H]2C)c1 1875406970 QGCVPXVAPSCRHV-GHTZIAJQSA-N 356.554 4.689 0 50 FJAA CC(C)(C)c1cc(NC(=O)c2ccccc2Cl)n(Cc2ccccn2)n1 2332237420 RGRXKPJUYZJZAW-UHFFFAOYSA-N 368.868 4.530 0 50 FJAA COc1cc(Nc2ccc(-c3cccc(F)c3F)cn2)cc(OC)c1OC 2356167086 IFTIOSOZWBKEJM-UHFFFAOYSA-N 372.371 4.796 0 50 FJAA COc1ccc(NC(=O)Oc2cccc(OC(=O)c3ccccc3)c2)cc1 642738 VFHYHLNVSWSWAK-UHFFFAOYSA-N 363.369 4.525 0 50 FJAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(N(CC)CC)cc2)c1 724601 BBOFIZZGQIYKBK-UHFFFAOYSA-N 356.466 4.583 0 50 FJAA O=C1NC(=S)N(C2CCCCC2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 756494 PTXAETVOBJKGAB-PMACEKPBSA-N 364.514 4.561 0 50 FJAA C[C@H](SCc1ccccc1)C(=O)Nc1cccc(Br)c1 817068 SURJQHVSOIPGRV-LBPRGKRZSA-N 350.281 4.710 0 50 FJAA CC(C)c1ccc(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)cc1 1000833 AFNXNQBWKTYGQT-UHFFFAOYSA-N 353.853 4.961 0 50 FJAA CN(C)c1cccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)c1 4852612 FKQBXJTZSSXJPL-UHFFFAOYSA-N 368.440 4.615 0 50 FJAA OCC1(Cc2ccccc2)CCN(Cc2cc3ccccc3s2)CC1 15061632 RWCGGDGUAGOCAV-UHFFFAOYSA-N 351.515 4.719 0 50 FJAA CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C(C1CC1)C1CC1 15077591 LOTQHRHWLWKTEO-UHFFFAOYSA-N 373.500 4.870 0 50 FJAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2csc(C(C)=O)c2)C1 20599061 YNBAVKQFJMIDCC-MRXNPFEDSA-N 373.543 4.768 0 50 FJAA c1ccc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1 45068794 ZZNAMBJCBSFFCE-UHFFFAOYSA-N 358.485 4.555 0 50 FJAA C[C@H](NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1cccs1 95360054 WXPOKKQGGUWWNK-ZDUSSCGKSA-N 365.433 4.693 0 50 FJAA CC1(C)Cc2cccc(CNc3cccc(CN4CCCCC4=O)c3)c2O1 125529225 WUHAMGWNNKRZAY-UHFFFAOYSA-N 364.489 4.525 0 50 FJAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 241124112 JFSLYLPYWICGFK-GQIGUUNPSA-N 359.473 4.851 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(F)c2F)c1 299777854 LIMFKBYYPYSWEF-KRWDZBQOSA-N 359.416 4.663 0 50 FJAA CCc1ccc(/C(C)=C/C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 2325736614 GHPYMHLDBQHOOG-JQIJEIRASA-N 359.429 4.873 0 50 FJAA COc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)CCCCC3)cc1 623069 ZQSSCNKHMJFTDP-UHFFFAOYSA-N 353.873 4.820 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(C)c1 678775 NGPDFTZRBTWWOU-UHFFFAOYSA-N 358.869 4.575 0 50 FJAA CSc1nc(C)cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 818214 KIPZXIRXRZSWMG-UHFFFAOYSA-N 374.318 4.545 0 50 FJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC(C)C)cc2)c1 1148929 OTVNTASRSSIUQC-UHFFFAOYSA-N 360.841 4.728 0 50 FJAA COc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 2876751 BLGDTVNICNSRGJ-UHFFFAOYSA-N 370.408 4.665 0 50 FJAA CN(Cc1ccno1)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl 12074993 IUWQYENNIVFMES-SFHVURJKSA-N 354.837 4.509 0 50 FJAA Cc1nn(C(C)C)c(C)c1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C 12197162 BKWGVHIZABJING-CQSZACIVSA-N 369.488 4.565 0 50 FJAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 12302053 MTNRSEOIZVTJPR-SFHVURJKSA-N 366.461 4.601 0 50 FJAA FC(F)(F)c1cccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1 55060282 MBIFNNKGJLXDIU-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)Cc1c(Cl)cncc1Cl 55061213 YWOOZMSPXZSQAN-UHFFFAOYSA-N 365.239 4.550 0 50 FJAA C[C@H](c1nncn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65370416 QRHSGFMNPJBROD-OAHLLOKOSA-N 369.428 4.701 0 50 FJAA O=C(c1cccc2cnccc12)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65395272 INTGJJFYWJNXNY-XMMPIXPASA-N 370.452 4.706 0 50 FJAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccn(C(C)(C)C)c1 72431121 YRQBHQFLOHMJSY-UHFFFAOYSA-N 359.520 4.700 0 50 FJAA CCCSc1ccccc1NC(=O)N(CCO)Cc1ccc(C)s1 96180423 PFLLLISFCOVCEQ-UHFFFAOYSA-N 364.536 4.585 0 50 FJAA Cc1ccc(-c2csc3nc(=S)n(-c4ccccc4)c(O)c23)cc1C 238899333 FUJZGDFAMCJVIP-UHFFFAOYSA-N 364.495 5.806 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)Nc2ccc(SCc3ccco3)cc2)C1 299779740 IKRBQLFNEVPROJ-QGZVFWFLSA-N 374.506 4.995 0 50 FJAA C[C@@H]1CC[C@@H](C2CCCCC2)CN1C(=O)c1cccc2ccc(O)nc12 1875327756 JYGHNHAULAOOLF-CRAIPNDOSA-N 352.478 4.761 0 50 FJAA O=C(N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1cnc(O)c2ccccc12 1875341030 CXUFEVPQYGGZNT-NVXWUHKLSA-N 364.420 4.536 0 50 FJAA Cc1cnccc1-c1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)s1 2325746874 GHHAMTBIDCQDNH-UHFFFAOYSA-N 360.442 4.557 0 50 FJAA COc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F 655812 MHBWVJCRRHVZSI-UHFFFAOYSA-N 362.159 4.856 0 50 FJAA CC(=O)N(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 892841 DPGAZVUGFQHHGR-UHFFFAOYSA-N 372.424 4.546 0 50 FJAA O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 1095017 VJKSPPNYLUUGER-UHFFFAOYSA-N 365.860 4.948 0 50 FJAA COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccco1 1114152 KYRSIQDXTQMEPJ-UHFFFAOYSA-N 361.806 4.700 0 50 FJAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 1177145 UWEZNSCXYBIERQ-UHFFFAOYSA-N 366.408 4.956 0 50 FJAA CCOc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1 1184967 ZJOYLPXWVCHKEK-UHFFFAOYSA-N 354.233 4.718 0 50 FJAA CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)sc2c1 1230381 IMRARMMFTUAUEZ-UHFFFAOYSA-N 358.488 4.734 0 50 FJAA COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)n1 1389634 KJBCWUKNDGPFGY-UHFFFAOYSA-N 365.191 4.772 0 50 FJAA COc1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1 2735381 HSHXDKPMYUOSSE-UHFFFAOYSA-N 358.797 4.759 0 50 FJAA CCOC(=O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 2858085 IRDKQMMUJQYBEL-UHFFFAOYSA-N 352.312 4.526 0 50 FJAA O=C(NC(c1ccccc1)c1ccccc1)c1cn(C2CCCCCC2)nn1 12223915 OMGDGDANDICUIG-UHFFFAOYSA-N 374.488 4.693 0 50 FJAA CN(Cc1cccnc1)c1nncc(-c2ccc(C3CCCCC3)cc2)n1 12320181 IYIVEABCHQUPFX-UHFFFAOYSA-N 359.477 4.618 0 50 FJAA Cc1ccsc1C(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 12431398 IMRXAZKHWQTPRB-KRWDZBQOSA-N 371.502 4.579 0 50 FJAA CC(=O)c1c(C)cc(C)c(-c2nccn2[C@@H](C)Cc2cc(C)[nH]n2)c1C 72457939 URNJHOINSRGOSC-HNNXBMFYSA-N 350.466 4.513 0 50 FJAA FC(F)(F)c1nccc(NC[C@@H](c2ccccc2)N2CCCCCC2)n1 91391232 RUCAMUDEANPEFS-INIZCTEOSA-N 364.415 4.525 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@H](C)c3nc(C)sc3C)c(C)c2c1 91486767 SMMLZWFQCNRTOA-CYBMUJFWSA-N 355.507 5.000 0 50 FJAA c1cncc(COc2ccccc2CNc2ccc(CN3CCCC3)cc2)c1 121672770 QTFNAKIRXJGOGB-UHFFFAOYSA-N 373.500 4.869 0 50 FJAA c1ccc(CC[C@@H]2CCCCN2Cc2cc(CN3CCCC3)cs2)nc1 216412605 UTCIPNNLJABWOZ-NRFANRHFSA-N 369.578 4.726 0 50 FJAA CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2CCCC)cc1 238950644 ZFRQJCSUEYJJQM-YKCBXCCJSA-N 356.510 5.216 0 50 FJAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[C@H]1C)C(=O)Nc1cc(C)cc(C)c1 239009583 AWIZUGJCTVHBSP-HNJRGHQBSA-N 358.526 4.599 0 50 FJAA Cc1ccc(F)cc1-c1ccc(C(=O)N2CCCC[C@@H]2CCCO)cc1 426421124 KXBATAAAHMSZNY-HXUWFJFHSA-N 355.453 4.568 0 50 FJAA CCC[C@H]1CCCN1C(=O)c1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1 534578246 CDDPUGDJVADDHX-KRWDZBQOSA-N 370.880 4.511 0 50 FJAA O=C(O[C@H](c1ccc(Cl)cc1)c1cccnc1)C1SCCCS1 842304168 NJEJLCDIIWELSB-OAHLLOKOSA-N 365.907 4.564 0 50 FJAA Cc1ccccc1-c1ccccc1CN1CC(c2nc(C(F)F)no2)C1 2325817384 IUVNTFQRALEOJK-UHFFFAOYSA-N 355.388 4.582 0 50 FJAA CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 1165735 UPUIJRLAWDKJPI-UHFFFAOYSA-N 358.507 4.609 0 50 FJAA COc1cc2c(cc1NC(=O)COc1ccccc1F)oc1ccccc12 2805868 RTVDOUKNDBVHOS-UHFFFAOYSA-N 365.360 4.751 0 50 FJAA Fc1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1 2862950 TZRDKQSYRCCILL-UHFFFAOYSA-N 362.433 4.761 0 50 FJAA COc1cccc(OC)c1OCCCOc1cccc(Cl)c1Cl 2984951 BWNLTMARUWWXKI-UHFFFAOYSA-N 357.233 4.859 0 50 FJAA COc1ccccc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 12597157 IBHPZCXCWKINFA-HXUWFJFHSA-N 373.452 4.584 0 50 FJAA Cc1ccc(-n2cccn2)c(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c1 12718132 UQMCKPLIGNKXGU-GOSISDBHSA-N 371.488 4.526 0 50 FJAA Cc1ccc2nc(-c3cnn(C(C)C)c3)c(C)c(C(=O)N(C)C(C)C)c2c1 63832874 IKIJKEJBWHCVOB-UHFFFAOYSA-N 364.493 4.776 0 50 FJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc4cccc(C)c4o3)[nH]c2c1 77438438 CAWQQJWHUZLWFW-SFHVURJKSA-N 359.429 4.903 0 50 FJAA CC1(C)[C@H](C(F)(F)F)CCN1c1nc(-c2ccncc2)nc2ccccc12 170606558 ABBHSJHNNXOBKU-MRXNPFEDSA-N 372.394 4.859 0 50 FJAA CCc1ccccc1-c1cccc(C(=O)N2CCC[C@@H](CCOC)C2)c1 426677721 PXISEVWWHOAHTL-SFHVURJKSA-N 351.490 4.805 0 50 FJAA CN1C(=O)CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc21 2325824276 XBEYRGLYMUOELS-UHFFFAOYSA-N 353.422 4.602 0 50 FJAA COc1ccc(NC(=O)C[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 892489 BTCKQCDLGKYRNK-QHCPKHFHSA-N 367.489 4.842 0 50 FJAA biogenic Fc1ccccc1-c1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1 1058129 CGMKCPUGHXHJJY-INIZCTEOSA-N 369.465 4.735 0 50 FJAA COc1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)o1 1083390 AXCIXWXDOHPDLU-UHFFFAOYSA-N 357.793 4.773 0 50 FJAA COC(=O)c1c(NC(=O)c2oc3ccc(C)cc3c2C)sc2c1CCC2 1131893 OQGYADAPWJBPSJ-UHFFFAOYSA-N 369.442 4.639 0 50 FJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2OC)s1 1300465 WUQHXAFGDGQHNH-AWEZNQCLSA-N 368.462 4.733 0 50 FJAA CCCc1cc(C(=O)OCC)c(NC(=O)Cc2ccc(Cl)cc2)s1 2763847 OJVLPWIMFJDCMC-UHFFFAOYSA-N 365.882 4.712 0 50 FJAA CCOC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 2848368 SGIXCFVXINMUCJ-UHFFFAOYSA-N 371.864 4.967 0 50 FJAA O=C(CSc1cccc(Cl)c1)Nc1ccc(Br)cc1F 5013762 VEFSKKVSCFNYLM-UHFFFAOYSA-N 374.662 4.972 0 50 FJAA CCOc1ccc(-n2c(S)nnc2CSCc2ccccc2C)cc1 6393684 ZFYKNBDJOIJAJL-UHFFFAOYSA-N 371.531 4.697 0 50 FJAA CCN(CC)C(=O)c1sc2ncnc(NCCC3=CCCCC3)c2c1C 14987534 ONBKSZYUSKTRQN-UHFFFAOYSA-N 372.538 4.784 0 50 FJAA CC(C)NC(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1 141408201 HUKWPJRCVFKEML-HXUWFJFHSA-N 360.461 4.864 0 50 FJAA NC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)c(F)c1 225444447 BLQYKYDHYHPJBP-UHFFFAOYSA-N 374.824 4.559 0 50 FJAA CC[C@@H](C)c1ccc(NC(=O)COc2ccc(-c3nncs3)cc2)cc1 225544240 UUCSSDNWWFHOBF-CQSZACIVSA-N 367.474 4.736 0 50 FJAA C[C@H]1CC(=O)CC[C@H]1c1nc(C2(c3c(F)cccc3F)CCCC2)no1 329597283 PJMNFKDXOQPSEO-GXTWGEPZSA-N 360.404 4.681 0 50 FJAA CCCn1c(C)nc2cc(NC(=O)c3ccccc3OC(F)F)ccc21 823026485 LZWROJLEJASHAZ-UHFFFAOYSA-N 359.376 4.608 0 50 FJAA Cc1ccc(-c2nnc(-c3ccc(Cn4nnc5ccccc54)cc3)o2)s1 2325723202 ISXVHZGUWKSAEM-UHFFFAOYSA-N 373.441 4.567 0 50 FJAA CC(C)(C)O[C@@H]1C[C@H](CC(=O)Nc2n[nH]c3c(Cl)cccc23)C1(C)C 2325840131 QNNZDWBWKZAAJQ-BXUZGUMPSA-N 363.889 4.775 0 50 FJAA COc1cccc(N2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 756629 CAVCSDUWDLWHNM-UHFFFAOYSA-N 350.506 4.544 0 50 FJAA Cc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 1073198 BEMLQJCXJBAMPC-UHFFFAOYSA-N 351.471 4.699 0 50 FJAA COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1119412 GFXHLWPVRYYPJB-UHFFFAOYSA-N 374.396 4.521 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 1166492 VJHMQWLAPJQIST-DHZHZOJOSA-N 366.804 4.837 0 50 FJAA COC(=O)[C@@H](C)N(C(=O)c1cccc2ccccc12)c1c(C)cccc1C 1229606 PGKLIYBZNQIVLO-QGZVFWFLSA-N 361.441 4.665 0 50 FJAA COc1ccccc1OCCCCOc1ccccc1Br 2904859 SYNOQCLQVDHABJ-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA COc1ccc(OCCOc2ccc(Cl)cc2Br)cc1 2991210 MQSAVKWRQWXAHP-UHFFFAOYSA-N 357.631 4.569 0 50 FJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC[C@H]1C 6201244 NTOJWWMYWWQGKH-CYBMUJFWSA-N 374.531 4.773 0 50 FJAA Sc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1Cl 6402872 PEKDBPGYCBQOGV-UHFFFAOYSA-N 350.274 4.648 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)cc1 12301076 BKSUIUGIHWMCQW-KRWDZBQOSA-N 364.514 4.985 0 50 FJAA Cc1cccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 28292922 ZEYJUMUSKZQCDJ-UHFFFAOYSA-N 366.848 4.656 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2cccc(F)c2)CCO3)s1 67878893 OXNMDDIDVJMMDK-UHFFFAOYSA-N 369.461 4.963 0 50 FJAA CC(=O)N1CCCC[C@H]1c1nc(Cc2cccs2)nn1C1CCCCC1 96141824 ILXJOPHGHHBEDJ-SFHVURJKSA-N 372.538 4.509 0 50 FJAA CCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 239165227 NSMKWGGRWAFJDI-WFDRNDOFSA-N 360.501 5.123 0 50 FJAA Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1cccc(N2CCCC2)c1 258329371 AMWVJJWYDREDEB-UHFFFAOYSA-N 364.371 4.653 0 50 FJAA CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1F 920429 BYNNMFIZPNCDST-UHFFFAOYSA-N 359.466 4.575 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc(C)c1C 1114885 RKZNNGZBXMVTFB-UHFFFAOYSA-N 358.246 4.711 0 50 FJAA CC(=O)c1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 1738188 SWHCRDWCTCVERA-UHFFFAOYSA-N 372.635 4.867 0 50 FJAA CCc1cc(=O)oc2cc(OCc3c(F)cccc3F)c(Cl)cc12 2857801 OXEZQDFZFAITSJ-UHFFFAOYSA-N 350.748 4.866 0 50 FJAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Br)c1 4991000 OKDGOSIKJZJDTQ-UHFFFAOYSA-N 373.294 4.687 0 50 FJAA S=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 19842045 JTNANGKXXGGSHB-UHFFFAOYSA-N 372.537 4.847 0 50 FJAA Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1nc2ccccc2[nH]1 20912960 GFRJESGWAWOXLE-UHFFFAOYSA-N 366.852 4.812 0 50 FJAA Cc1ncc(C)c(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)n1 71315331 WEOKRBDJJQXMKF-UHFFFAOYSA-N 374.366 4.912 0 50 FJAA Cc1cc(C)nc(Sc2ccc(NC(=O)c3ncoc3C(C)C)cc2)n1 170624377 FTSYEMWGNSZPLX-UHFFFAOYSA-N 368.462 4.608 0 50 FJAA COc1ccccc1-c1ccc(CNc2ccc(C(=O)N(C)C)cc2)cc1 195063921 MYAZLOMMBDRETI-UHFFFAOYSA-N 360.457 4.676 0 50 FJAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C[C@H]1C[C@H]2C=C[C@H]1C2 252540586 POOQSCRGWGGCAC-CWRNSKLLSA-N 363.486 4.584 0 50 FJAA C[C@@H](NCc1nc(-c2ccccc2)cs1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952962776 HJEAZTGYTBAKEV-VQHMHIIYSA-N 368.546 4.620 0 50 FJAA Cc1cc(Br)ccc1NC(=O)COc1ccc(C(C)C)cc1 638660 PTQIAMFFOFCBQH-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA CCOc1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 677321 DVSNUUCSUKWLKE-UHFFFAOYSA-N 370.474 4.982 0 50 FJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@H](C)C1 1022051 NYFLTVFDBLJQAX-JTQLQIEISA-N 353.249 4.829 0 50 FJAA O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 1159060 WFVOAKIQOLEPRV-UHFFFAOYSA-N 369.286 4.525 0 50 FJAA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C 1214295 VWBFXFHCHJBKGI-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 1217970 UDHRBSNBQXQVIT-UHFFFAOYSA-N 370.179 4.813 0 50 FJAA O=c1oc2cc(OCc3cccc(C(F)(F)F)c3)ccc2c2c1CCC2 1902789 MIQRMNCSGYPNIK-UHFFFAOYSA-N 360.331 4.880 0 50 FJAA Cc1ccc(S[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 6426957 DUJVDRVLDFDXSQ-LBPRGKRZSA-N 354.730 4.946 0 50 FJAA CCc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1 6709927 KKSCXXKGWCWWJY-UHFFFAOYSA-N 356.219 4.925 0 50 FJAA CC[C@H](C)C(=O)N1CCC[C@H](c2nc(C)ncc2-c2cccc(C)c2)C1 11966989 UQUACJGWXYKDOC-LPHOPBHVSA-N 351.494 4.513 0 50 FJAA Cc1ccc(N[C@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc1C 12306694 IGHGJSNFCFMHKF-IBGZPJMESA-N 361.489 4.512 0 50 FJAA COc1ccc(CN(C(C)=O)C2CCCC2)cc1OCc1cccs1 14980716 SJMSYVQREYKTLM-UHFFFAOYSA-N 359.491 4.627 0 50 FJAA FC(F)(F)c1cc(I)c(Cl)c(C(F)(F)F)c1 63339628 JBLZIEGFOXWVAC-UHFFFAOYSA-N 374.449 4.982 0 50 FJAA CN(C)C(C)(C)Cn1cnc(-c2ccccc2)c1COCc1ccccc1 65369905 FIBGTXMHHGFFGH-UHFFFAOYSA-N 363.505 4.607 0 50 FJAA O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@@H]1c1ccc(F)cc1 77489179 YAZHYVICILXTGD-LJQANCHMSA-N 350.393 4.848 0 50 FJAA FC(F)(F)COc1cccc(OCc2csc([C@@H]3CCCO3)n2)c1 153220602 BKGVGTBKKBRGNX-AWEZNQCLSA-N 359.369 4.515 0 50 FJAA CNC(=O)c1cccc(NCc2ccc(-c3c(F)cccc3F)o2)c1C 155423535 TVIHEURORPTVMX-UHFFFAOYSA-N 356.372 4.505 0 50 FJAA CC(C)CCOc1ccc(NC(=O)c2cnc(O)c3ccccc23)cc1 240423848 FRKRNBWBVNNVLJ-UHFFFAOYSA-N 350.418 4.618 0 50 FJAA Cc1cccc(Cl)c1Nc1ncncc1-c1nc(-c2ccccc2)no1 263618444 TUECOOCVIDPSHL-UHFFFAOYSA-N 363.808 4.899 0 50 FJAA Fc1ccc([C@H](NCC2(c3cccc(Cl)c3)CC2)c2ncc[nH]2)cc1 446816362 FDUSZHNKZHBEQE-SFHVURJKSA-N 355.844 4.613 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 497570446 DLWODLOEZRAGGV-UHFFFAOYSA-N 351.406 4.517 0 50 FJAA Cc1cc(-c2cccc(C(=O)N[C@H](C)CN3CCCC3)c2)c(Cl)cc1F 584896931 UGBXUUKZYSIYMZ-OAHLLOKOSA-N 374.887 4.669 0 50 FJAA Cc1nc([C@H](C)NCc2ccc(-c3cccc(Cl)c3Cl)o2)n[nH]1 952989255 UGFQMOGFKQTHIW-VIFPVBQESA-N 351.237 4.531 0 50 FJAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccccc2)cc1 1111045 VBBPFSBOQOWBDN-UHFFFAOYSA-N 351.471 4.699 0 50 FJAA CCOc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 1132614 KAWACOLMMYLLER-UHFFFAOYSA-N 366.273 4.929 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1C 1144059 FDISCZBTNIOXDA-UHFFFAOYSA-N 350.443 4.870 0 50 FJAA COc1ccccc1NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 1168499 IOXHGDLLDSKTMN-LRZVDXDASA-N 355.437 4.931 0 50 FJAA Cc1nnc(Oc2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12 1175174 DXNLEEQHCVNIAI-UHFFFAOYSA-N 355.397 4.983 0 50 FJAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Br)cc1 1214299 AGQYUOMNMCLQOF-PWSUYJOCSA-N 363.082 4.979 0 50 FJAA COc1cc2c(c(OC)c1)[C@H](c1ccc(-c3ccccc3)cc1)CC(=O)N2 4912961 AHUFDOKNWRGUFZ-IBGZPJMESA-N 359.425 4.845 0 50 FJAA CCCCN(CC)C(=S)SCC(=O)Nc1c(C)cccc1CC 4947816 QYNPYOREJOSQRF-UHFFFAOYSA-N 352.569 4.636 0 50 FJAA CSc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 11998755 DLSMEKGQVHDROD-CQSZACIVSA-N 355.482 4.893 0 50 FJAA Cc1cc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)oc1C 12763917 JEVXKMNVAIWXRQ-QFIPXVFZSA-N 374.569 4.532 0 50 FJAA Clc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 19633021 XSEYKIAJEOUVLS-NRFANRHFSA-N 362.864 4.692 0 50 FJAA COc1ccc(C(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc1 28291447 VQEXXYOPUNMXCP-UHFFFAOYSA-N 370.811 4.730 0 50 FJAA Cc1nc(CC(=O)N(C)Cc2sc3ccccc3c2Cl)cs1 72418144 NJLXVEOQXQIGHG-UHFFFAOYSA-N 350.896 4.521 0 50 FJAA O=C(O[C@H]1CCN(Cc2ccccc2)C1)[C@H](c1ccccc1)C1CCCC1 101359136 LAUAHIVTDOZZLW-XZOQPEGZSA-N 363.501 4.778 0 50 FJAA O=C(c1cc(F)c(Cl)nc1Cl)N1CCCCC[C@H]1c1ccco1 170633546 JYTMZRCNCAUQLQ-LBPRGKRZSA-N 357.212 4.878 0 50 FJAA CN1CCOc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)cc21 175077886 ZZRHATOGLJYATG-QGZVFWFLSA-N 371.868 4.538 0 50 FJAA CCc1ccc([C@H](C)NC(=O)N(CCCO)Cc2ccc(Cl)cc2)cc1 426491372 FWFUSNQPNQMRGR-INIZCTEOSA-N 374.912 4.558 0 50 FJAA COc1cccc(-c2cccc(C(=O)N[C@@H]3COC4(CCCCC4)C3)c2)c1 426580986 LVMGTOSNIJHRAO-FQEVSTJZSA-N 365.473 4.584 0 50 FJAA O[C@H](CN[C@H]1CCC[C@@H](c2ccccc2)CC1)Cc1cccc(Cl)c1 1875341675 BXRWCYPKDJHJFK-HJNYFJLDSA-N 357.925 4.950 0 50 FJAA Cc1oc2cc(OC(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 630345 KCPQWIKBEICVPV-UHFFFAOYSA-N 366.413 4.717 0 50 FJAA biogenic COc1ccc(Cl)cc1NC(=O)CSCc1ccccc1Cl 1173418 NWNJKDTUIQKISB-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA Clc1ccccc1OCc1nc(-c2ccc(Br)cc2)no1 1179373 VGGREFPTAKOVDG-UHFFFAOYSA-N 365.614 4.732 0 50 FJAA CC(C)N(C(=O)c1cccs1)c1ccc(-n2nc3ccccc3n2)cc1 1431856 PIOKROPDRHVEEU-UHFFFAOYSA-N 362.458 4.537 0 50 FJAA Cc1ccc2c(C)c(C(=O)NCCc3cnn(-c4ccccc4)c3)oc2c1C 15065032 KHENDCNHVGRZJP-UHFFFAOYSA-N 373.456 4.516 0 50 FJAA C[C@@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1C1CCOCC1 65409612 RWFCUEZYCXCMOB-KRWDZBQOSA-N 356.510 4.946 0 50 FJAA Cc1cc(C)c(NC(=O)[C@@H]2[C@H]3CC[C@@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c(C)c1 239274584 AJTJBLIFAGTZAF-JJTUDDRGSA-N 366.332 5.406 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1 426632893 OVXRPMLWZOAKON-SFHVURJKSA-N 373.880 4.744 0 50 FJAA CCCC(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1 575598542 NLSYMTDGNNFMCX-UHFFFAOYSA-N 368.496 4.666 0 50 FJAA in-vitro Cc1ccc(Cl)c(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1F 1857685642 NNDRLQMFFLPICA-DOTOQJQBSA-N 361.892 4.916 0 50 FJAA O=C(N[C@H]1C[C@H]1Cc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866134 BBKRVJBADWULMG-LFGUQSLTSA-N 354.881 4.516 0 50 FJAA CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 645746 WNFHYGFCSWHVJE-UHFFFAOYSA-N 354.413 4.999 0 50 FJAA O=C(OCc1ccc(Cl)cc1)c1ccccc1C(=O)c1ccccc1 992923 YQGAZWGZFYLNGI-UHFFFAOYSA-N 350.801 4.928 0 50 FJAA O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 1177913 WRFLYZUERPGEIY-UHFFFAOYSA-N 374.831 4.840 0 50 FJAA CNc1nc(Cl)c(SC)c(NCc2ccc(Cl)c(Cl)c2)n1 1387587 IIFLGFVWNNEYCI-UHFFFAOYSA-N 363.701 4.813 0 50 FJAA COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccccc1 2843517 XWSWMOUSONEHFU-UHFFFAOYSA-N 355.503 4.682 0 50 FJAA O=C(O)[C@@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 4648783 YVOZWUIIIMDJDK-HNNXBMFYSA-N 362.248 4.519 0 50 FJAA O=C(Nc1ccc(Cc2ccccn2)cc1)c1cc(F)c(F)cc1Cl 8306494 MIPFXDTZXHOWMO-UHFFFAOYSA-N 358.775 4.856 0 50 FJAA COc1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 9109784 MGLKVJFGGBQJEB-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1cc(F)ccc1F)C2 11999809 BQRCAHXUPGKGDE-UHFFFAOYSA-N 373.424 4.794 0 50 FJAA COc1cc(CNCc2cccnc2Oc2ccccc2C)ccc1F 55099666 DGRMRWWNOKLDLG-UHFFFAOYSA-N 352.409 4.620 0 50 FJAA CC(C)c1nc(CN(C)C(=O)c2csc(-c3cccs3)n2)cs1 82147927 QNRSAMOIIQZEIE-UHFFFAOYSA-N 363.533 4.724 0 50 FJAA C[C@H]1CCCCN1CCCNC(=O)N(c1ccccc1)c1ccccc1 96028177 BARWNAQTOFVURO-IBGZPJMESA-N 351.494 4.799 0 50 FJAA C[C@H]1CCC[C@@H](C)N1CCCC[C@](O)(c1ccccc1)c1ccccn1 102196604 DOMLQNJBAMPKKT-MZKRTTBSSA-N 352.522 4.751 0 50 FJAA CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 225718284 LKXMJGUUXCQEAY-KRWDZBQOSA-N 374.506 4.540 0 50 FJAA 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 257347832 VJYVCSBIXCOHFV-KZSQOBLOSA-N 361.570 4.924 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 477767949 JORYQSDHOXQPIP-YWZLYKJASA-N 351.494 4.984 0 50 FJAA Cc1ccoc1CNC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 494615514 WQZYVMKBKMQHDC-UHFFFAOYSA-N 366.486 4.529 0 50 FJAA FC(F)(F)c1sccc1-c1noc(-c2cnc([C@H]3CCCO3)s2)n1 867154958 PIIIVVOZYMLRSC-MRVPVSSYSA-N 373.381 4.792 0 50 FJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)O)CC[C@H]32)C1 1857666618 WVHKCBDRQIXZLC-RPRDNOHOSA-N 360.494 4.582 0 50 FJAA COc1ccc(-c2sc(-c3nccn3C[C@H](C)OC)cc2C)cc1F 2356161917 PQRKOAOGVZJWDO-ZDUSSCGKSA-N 360.454 4.770 0 50 FJAA COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 692379 RKWCNQMXNFOWON-UHFFFAOYSA-N 372.424 4.993 0 50 FJAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 1049041 VWZKYMSWGLDSMO-UHFFFAOYSA-N 374.868 4.976 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2F)cc1 1074805 CUCHVPXLOHSYPB-UHFFFAOYSA-N 363.388 4.743 0 50 FJAA Cc1cc(=O)oc2c(C)c(OCc3cccc(Br)c3)ccc12 1121097 DELGGPYTUSQQFQ-UHFFFAOYSA-N 359.219 4.751 0 50 FJAA CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 1208595 OPHLBFVYUPPMGA-UHFFFAOYSA-N 372.380 4.672 0 50 FJAA O=C(C[C@@H]1Nc2cccc3cccc(c23)N=C1O)Nc1ccccc1Cl 2889942 RZSRYBRCIUQRMA-KRWDZBQOSA-N 365.820 4.904 0 50 FJAA COc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 5023177 DYKPYWVCIMAHOU-UHFFFAOYSA-N 374.849 4.843 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)cc1 12750160 ZHGGBXJGMYXVJE-OAHLLOKOSA-N 372.465 4.674 0 50 FJAA O=C(Nc1cccc2ccccc12)c1cc2nccc(-c3cccs3)n2n1 13644452 MEBUJTBOGZTTDJ-UHFFFAOYSA-N 370.437 4.863 0 50 FJAA Cc1ccccc1-c1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1 16579617 GPQGBSPXZJDPRE-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA O=C(Nc1cccc(-c2ccco2)c1)C1CCN(CCc2ccccc2)CC1 20514070 HWLHOXUQGSEEGD-UHFFFAOYSA-N 374.484 4.840 0 50 FJAA CC[C@@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1ccccc1 20617726 CAXJTAYIEBEMKG-OAQYLSRUSA-N 364.445 4.752 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1nc2c(C)cccc2[nH]1 91365001 ZWCFWPBDOQFYPE-OAHLLOKOSA-N 368.506 4.737 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 239425749 VEKQAUPIYRKPFN-GMAHTHKFSA-N 374.871 5.891 0 50 FJAA COc1ccccc1[C@@H](C)NC(=O)c1cc2cccc(C)c2nc1Cl 239654167 BMUAYJSIKQSPFT-CYBMUJFWSA-N 354.837 4.696 0 50 FJAA O=C(Nc1ccc(OCc2cccnc2)cc1)N[C@H]1C[C@H](c2ccccc2)C1 798013059 JULLYNSOBPCJPE-XUTJKUGGSA-N 373.456 4.728 0 50 FJAA COc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 622720 VIZVGXWAWFGHEI-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA biogenic CCOc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)ccc1O 872115 MOAMGSSRRPCHLI-QFIPXVFZSA-N 374.440 4.558 0 50 FJAA Cc1cc(Br)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 1140677 QOPZHYIXBMZFHX-NSHDSACASA-N 368.658 4.817 0 50 FJAA O=C1C[C@H](Cc2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 2849349 XXLAOJXHYIWDPL-SFHVURJKSA-N 357.409 4.601 0 50 FJAA O=C(CCSCc1cccc(Cl)c1)NCc1ccccc1Cl 2954077 RZWWHKIHJQGVAH-UHFFFAOYSA-N 354.302 4.933 0 50 FJAA O=C(CSCc1ccc(Br)cc1)Nc1c(F)cccc1F 4828621 FDEPEOUKTZKACP-UHFFFAOYSA-N 372.234 4.599 0 50 FJAA COc1cccc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 12432815 MBBLBSGLARPTMP-JOCHJYFZSA-N 361.489 4.665 0 50 FJAA C[C@](O)(c1cccc(Br)c1)[C@H](c1ccccc1)c1ccccn1 71767175 SRVOWSGHWXFHJP-UXHICEINSA-N 368.274 4.884 0 50 FJAA Cc1cc(N2CCC[C@H](c3nccn3C(C)C)C2)nc2cc(F)ccc12 95361877 HEWJHLODLTWUCU-INIZCTEOSA-N 352.457 4.844 0 50 FJAA CCOC1(C)CCN(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CC1 455396869 UCVYRFYTRDKMEW-UHFFFAOYSA-N 371.456 4.619 0 50 FJAA C[C@@H]1C[C@H](NC(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CO1 1875343775 UJQCDIBLMKSYCI-VLIAUNLRSA-N 364.316 4.914 0 50 FJAA CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 1116204 NYAJFELTMVMLPV-CYBMUJFWSA-N 362.267 4.979 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1C 1169206 PCHJIIPBTKEVKK-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA COc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 1183350 OCKIEOFUUAZIGO-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA COc1cc(OC)c(CN2CCC[C@H]3CCCC[C@H]32)cc1Br 2498643 HTDDXJUOHOGXSM-CZUORRHYSA-N 368.315 4.621 0 50 FJAA C[C@H](Cn1cccn1)C(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 2597681 GSWCBEDOIASOGB-OAHLLOKOSA-N 354.837 4.635 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=S)N[C@@H](CC)c2ccccc2)s1 6708554 IKRAIVGIVSSPFS-HNNXBMFYSA-N 362.520 4.535 0 50 FJAA COCC1CCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 12297601 IMCBYLZULLUQQW-FQEVSTJZSA-N 371.908 4.747 0 50 FJAA COC(=O)c1sccc1Oc1ccc(NC(=O)c2ccccc2F)cc1 12950943 OAUYRECNCMHZPM-UHFFFAOYSA-N 371.389 4.718 0 50 FJAA CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c(C(=O)c5ccccc5)c(O)c4[C@@H]1[C@@H]23 14928876 BQIVXBUAUNSLAJ-OEBNWMLRSA-N 364.441 4.630 0 50 FJAA biogenic,in-vitro Fc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)cc1 19958723 ODHUXIGSKMAATQ-OAHLLOKOSA-N 371.406 4.874 0 50 FJAA CCn1ccnc1C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 91755979 DPHUPLRHAIEMHQ-UHFFFAOYSA-N 367.280 4.621 0 50 FJAA CN(C(=O)c1ccc(-n2cccn2)cc1)c1ccccc1Oc1ccccc1 170602116 OISBZYMMJTTZMC-UHFFFAOYSA-N 369.424 4.941 0 50 FJAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)[C@@H](c1ccccc1)C1CC1 193134726 DSSKENGOYCTYSB-IBGZPJMESA-N 374.406 4.697 0 50 FJAA CCN(CC)C(=O)c1ccc(NCc2c(F)cccc2N2CCCC2)cc1 195060010 JSWBKHOXLCWSSJ-UHFFFAOYSA-N 369.484 4.520 0 50 FJAA C[C@@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccco2)CC1 1875258261 UJIHPSUBDVAJQI-KRWDZBQOSA-N 362.473 4.522 0 50 FJAA COCCCCCNC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1 1875260140 RNQQEZZPFMEQTA-UHFFFAOYSA-N 356.466 4.544 0 50 FJAA NCCC[C@H](NCc1cc(-c2cccc(Cl)c2)on1)c1ccccc1 1875298831 OXNXGEJZVGGROY-IBGZPJMESA-N 355.869 4.565 0 50 FJAA CCCCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1Cl 1875302231 GGRKDSNWNZAGIK-AWEZNQCLSA-N 367.898 4.558 0 50 FJAA Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c2c1C(=O)CC(C)(C)C2 2325809628 QNRLQKZQZMMJBA-UHFFFAOYSA-N 353.853 4.822 0 50 FJAA COCc1cccc(-c2cn(-c3cc(C(F)(F)F)ccc3Cl)nn2)c1 2325839833 GQPUWOXOUXSMTK-UHFFFAOYSA-N 367.758 4.753 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NCCCCNc1ccccn1 2325863183 YUCHQGAOLDJTNT-UHFFFAOYSA-N 365.477 4.793 0 50 FJAA CC(C)(C)c1cnc(NC(=O)c2cccn2Cc2ccccc2F)s1 2325871222 CEWWJRGECJXKRV-UHFFFAOYSA-N 357.454 4.682 0 50 FJAA COc1ccc(COC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 641792 RWMZNGKCWPNWIP-UHFFFAOYSA-N 356.205 4.759 0 50 FJAA O=C(CSCc1cccc(Br)c1)Nc1ccccc1Cl 1220622 YROAIQHBJAWNEI-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA CCOc1cc2ccc(-c3ccc(OC)c(OC)c3)c(O)c2cc1OC 1432447 CDUZIJBFYNKEIG-UHFFFAOYSA-N 354.402 4.637 0 50 FJAA COc1cccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1OC 2761062 NCZNIDOQTVGIAR-UHFFFAOYSA-N 374.849 4.733 0 50 FJAA COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)C(C)C 2840900 LWRWWAGKENLUTI-UHFFFAOYSA-N 368.477 4.840 0 50 FJAA Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)cc1C 8323415 PNDKNCOYZIMNTQ-UHFFFAOYSA-N 367.452 4.844 0 50 FJAA CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2cccc(C)c2)C1 11966975 UQUACJGWXYKDOC-VQIMIIECSA-N 351.494 4.513 0 50 FJAA Cn1cc(CN2CC[C@@H](c3ccc(F)cc3F)Sc3ccccc32)cn1 15071379 DWDNDOUPSHGOCG-IBGZPJMESA-N 371.456 4.942 0 50 FJAA c1ccc(COc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 19359479 JHUOYCZWDRDGTI-UHFFFAOYSA-N 372.512 4.583 0 50 FJAA Cc1ccsc1CN(CC(C)C)C(=O)c1ccc(-n2ccnc2)cc1 55282701 AOCWAPVFIINJDW-UHFFFAOYSA-N 353.491 4.541 0 50 FJAA CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2nccs2)no1 65497865 XDPLIUAPBBMHHA-UHFFFAOYSA-N 364.474 4.908 0 50 FJAA Cn1cc(-c2c(-c3ccccc3)ncn2C[C@H]2C[C@H]3C=C[C@H]2C32CC2)cn1 102482752 FKJSWHYKDJNFJM-MISYRCLQSA-N 356.473 4.553 0 50 FJAA CCC[C@@H]1C=CCN1C(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1 426534050 KYWGDCSSTCEBAO-HSZRJFAPSA-N 371.484 4.779 0 50 FJAA CCC(CC)N(C(=O)c1oc(C2CC2)nc1C)[C@@H]1CCCc2cccnc21 800959916 JKUKSOZLZHFFBQ-GOSISDBHSA-N 367.493 4.964 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 753351 WTVSIRKJZWXPDS-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA COc1ccc2ccccc2c1[C@H]1OC(=O)C2(CCCCC2)C(=O)C1(C)C 974353 UXCFPPDTAMITGF-LJQANCHMSA-N 366.457 4.992 0 50 FJAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 1120184 NZKAVTYPTYRLNW-UHFFFAOYSA-N 368.658 4.899 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 1203381 SCVOEOGCQUNRRL-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 2858023 CPOJBEDRUIAGGI-UHFFFAOYSA-N 355.484 4.947 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(F)cc2)on1 3907644 PCEOSXHARJVJJQ-UHFFFAOYSA-N 350.271 4.752 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 4134289 ALZQGBPKHSLVMU-ACWOFJMJSA-N 351.446 4.581 0 50 FJAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(F)cc2)s1 4589728 UZZCMCJTBTXWJV-HNNXBMFYSA-N 356.426 4.863 0 50 FJAA COc1cc(Cl)c(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 6668546 MVZBYNKCAWUPOG-UHFFFAOYSA-N 373.836 4.513 0 50 FJAA CC(C)CCN1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 11881047 KBBACMDSWHHXTE-QFIPXVFZSA-N 353.506 4.593 0 50 FJAA CCCc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 12421709 UVWOTTZGIWDSDI-UHFFFAOYSA-N 357.461 4.664 0 50 FJAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)s1 12716132 NPHHCGLBOGJHLE-QGZVFWFLSA-N 363.482 4.945 0 50 FJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1 12731777 ALBXJBTWBRBMQX-QXMHVHEDSA-N 372.453 4.648 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN(C)Cc2cc(-c3ccccc3)on2)cc1C 15066190 CNYDDKXEKIRMGH-UHFFFAOYSA-N 372.472 4.981 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nn1 82230373 CRICXDPRHWCABZ-UHFFFAOYSA-N 357.772 4.622 0 50 FJAA CCc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)noc2Cl)o1 125126910 DILDKXBIZQWYHA-INIZCTEOSA-N 364.873 4.868 0 50 FJAA 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 257347833 VJYVCSBIXCOHFV-MNFQXARNSA-N 361.570 4.924 0 50 FJAA CCCOP(=O)(OCCC)O/C(C)=C/C(=O)N1CCCC[C@@H]1CC 822975088 PNCSHUXWWBXKPF-IYOXOMEYSA-N 361.419 4.659 0 50 FJAA CC(C)[C@@H](Nc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccccc1 1472644401 DEKFLAHPSMBSSN-HXUWFJFHSA-N 361.424 4.740 0 50 FJAA Cc1ccsc1-c1nnc(-c2ccc(Cn3nnc4ccccc43)cc2)o1 2325723345 AOHFRUPMDZJRJZ-UHFFFAOYSA-N 373.441 4.567 0 50 FJAA O=C(NC1CC(Cc2ccccc2)C1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866528 OEHBCOVEVKHSHJ-GJOUJLEFSA-N 368.908 4.907 0 50 FJAA COc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 869548 BAIYEVZIYOHRRS-UHFFFAOYSA-N 354.233 4.636 0 50 FJAA Cc1ccc(-c2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2)cc1 950481 ZJTJINVDLVEGOP-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 1133047 SHPPJUNELKNSQF-UHFFFAOYSA-N 357.406 4.727 0 50 FJAA CCCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OC 2294135 SVPULPHMBOWKAV-QGZVFWFLSA-N 355.478 4.625 0 50 FJAA Cc1ccc(NC(=S)Nc2ccc3c(C)cc(=O)oc3c2)cc1Cl 2782063 WHDMPPGYWKAYFL-UHFFFAOYSA-N 358.850 4.872 0 50 FJAA COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(F)c1F 3612933 OOWCJRMYMAMSOH-STQMWFEESA-N 374.374 4.671 0 50 FJAA in-vitro O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccccc1F 6703791 MOSUGVOXLZNIHX-UHFFFAOYSA-N 365.389 4.857 0 50 FJAA Cc1nn2c(NCc3cccnc3)c3c(nc2c1-c1ccccc1)CCCC3 12421712 SCBWJSVFGYQOQD-UHFFFAOYSA-N 369.472 4.591 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)NCc1ccccc1Br 17073246 AYOAUYCLIRUUJH-UHFFFAOYSA-N 353.647 4.733 0 50 FJAA Cc1noc(C)c1[C@@H]1CCCN1Cc1cc(Br)ccc1F 21720119 BHDTZMYQJWLEDM-HNNXBMFYSA-N 353.235 4.530 0 50 FJAA Cc1ccc(C2(O)CCN(CC(c3ccccc3)c3ccccc3)CC2)nc1 67785113 SWJYVKOCUYKGQM-UHFFFAOYSA-N 372.512 4.506 0 50 FJAA CCCn1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c1C 91872835 PUGKBQCFVNVDPX-UHFFFAOYSA-N 363.461 4.666 0 50 FJAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1cc3cc(Cl)ccc3oc1=O)C2 101926285 CBFWQRKCLVOYKR-APXLUKDGSA-N 360.837 4.818 0 50 FJAA Cc1csc(N(C(=O)c2cc(Cl)nc(N(C)C)c2)c2ccccc2)n1 170626317 SZSRFZMNEKKUTM-UHFFFAOYSA-N 372.881 4.544 0 50 FJAA COc1cccc([C@@H]2CCN2C(=O)c2c(-c3ccccc3)ccnc2C)c1 215253187 RXZKTYGYGOGBLH-NRFANRHFSA-N 358.441 4.653 0 50 FJAA c1ccc(C23C4[C@H]5N=N[C@H]4[C@H]4[C@H]5[C@]2(c2ccccc2)[C@@]43c2ccccc2)cc1 230122377 CFTZWOUSJQYYFS-RYMPPYFWSA-N 360.460 4.906 0 50 FJAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(-c2cncnc2)cc1 426372392 VOFNGBPGDSKXBF-QGZVFWFLSA-N 359.473 4.630 0 50 FJAA Cc1csc(Sc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 1875335274 ZKCTZQRWMYCSJV-UHFFFAOYSA-N 354.460 4.752 0 50 FJAA CCOC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1059861 GSAKEUIFLIUGTM-UHFFFAOYSA-N 359.425 4.634 0 50 FJAA Cc1ccc(C(=O)Nc2cccc(I)c2)c(Cl)c1 4739952 SCTCAGUUHDNPPE-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA COc1ccc(CNc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 4841418 AAWDGJZLFFGTTB-UHFFFAOYSA-N 356.809 4.806 0 50 FJAA CCOc1cc(Br)c(CN[C@H](C)c2ccccc2)cc1OC 4856505 GAKDMWVYOSORAG-CYBMUJFWSA-N 364.283 4.707 0 50 FJAA Cc1ccc(-c2noc(CN(C(=O)c3cccc(Cl)c3)C(C)C)n2)cc1 4958698 RFOSNQJMAUFCNN-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA O=S(=O)(Nc1ccc(Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 5516285 JNTBBBSTKCCBIO-UHFFFAOYSA-N 360.385 4.509 0 50 FJAA COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)C(C)(C)C)on2)cc1 12120250 DUNRLHRWPOIHKJ-GOSISDBHSA-N 356.466 4.840 0 50 FJAA O=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccco1 13130520 RLPWQRBWANQTMU-SFQUDFHCSA-N 363.804 4.737 0 50 FJAA C[C@@H]1Sc2ccccc2N(C(=O)c2csc(-c3ccccn3)n2)[C@H]1C 176695771 SYSRMGWYRXWKAJ-STQMWFEESA-N 367.499 4.735 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 257350159 VFBOQACQHXYULH-ZVAJFTAUSA-N 360.538 4.977 0 50 FJAA CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 452534412 ZHLAKFKHADGKJT-MLGOLLRUSA-N 360.445 4.550 0 50 FJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1Br 673493 JENJKADQSLWEMV-NSHDSACASA-N 368.658 4.817 0 50 FJAA CCc1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 818831 PVQUYAOLHXYKON-UHFFFAOYSA-N 358.438 4.600 0 50 FJAA C[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2CN2CCCC2)C1 944645 AFCYYXJVKMRVHD-HNNXBMFYSA-N 354.519 4.721 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1C 994405 ZGLZPNKBOBHGEN-UHFFFAOYSA-N 363.288 4.573 0 50 FJAA COc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c(OC)c1 1158117 HREUTPRPZCQTHO-UHFFFAOYSA-N 373.412 4.763 0 50 FJAA CCOc1ccccc1OCCOCCOc1ccc(C(C)(C)C)cc1 2983577 ZMSFZQKXAFHLLR-UHFFFAOYSA-N 358.478 4.857 0 50 FJAA CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@H]1CCCO1 11775136 UWECWBKDCATBDH-MRXNPFEDSA-N 368.399 4.670 0 50 FJAA CN(C[C@H]1CCCCO1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 11934779 CUYOXOXGEZETPC-QGZVFWFLSA-N 356.466 4.517 0 50 FJAA C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 19418404 KXVVDDZQFBVBQJ-IBGZPJMESA-N 370.496 4.736 0 50 FJAA Oc1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 25559765 QOFFCTHEVIXSEA-FXAWDEMLSA-N 366.804 4.881 0 50 FJAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N(Cc1ccsc1)C1CC1 65497473 HAKJHICYXCFGKH-UHFFFAOYSA-N 362.882 4.555 0 50 FJAA COc1cccc(Oc2ccc(NC(=O)c3ccc[nH]c3=S)cc2)c1 132036984 LXOBNUVYSCYHRU-UHFFFAOYSA-N 352.415 4.797 0 50 FJAA Cc1nc(CCCC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cs1 151747899 NGKAGOIMMARNRR-GOSISDBHSA-N 370.518 4.727 0 50 FJAA Cl[C@@]12C[C@H]3C[C@@H](C1)[C@@H](N[C@@H]1[C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@H](C3)C2 239165215 NRVVIVURBWFXID-KIXDJWNQSA-N 354.365 4.948 0 50 FJAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(N2CCCCC2)c1 252483810 FIWLVSNRMNPACJ-MRXNPFEDSA-N 369.431 4.872 0 50 FJAA Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c(Cl)c1 427066660 GVGXEYYDWKCGNS-KRWDZBQOSA-N 368.235 4.655 0 50 FJAA COc1ccc2c(c1)CCC[C@H](NC(=O)Nc1ccc3[nH]cc(C)c3c1)C2 1875331375 XMFOHNYDGJCFBI-KRWDZBQOSA-N 363.461 4.554 0 50 FJAA CC[C@@H](c1ccc(-c2cccc(-c3ccncc3)c2)cc1)N1CCNCC1 1875346987 GQJZSHLLAOJRSW-DEOSSOPVSA-N 357.501 4.772 0 50 FJAA COc1cc(NC(=O)c2ccc(Cl)cc2Cl)c(OC)cc1Cl 640794 YWNYLGQOKSAWOR-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA COc1ccccc1Nc1nc(-c2c(C)nc3cc(C)ccn23)cs1 853330 STNJRVCDHJHREV-UHFFFAOYSA-N 350.447 4.827 0 50 FJAA CCOc1cc(-c2cc(OCC)c3c(C)oc(C)c3c(=O)c2)ccc1O 892068 BPUQLIVFGSBKRR-UHFFFAOYSA-N 354.402 4.580 0 50 FJAA biogenic Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 943447 ILDIMDIVFWRXIC-UHFFFAOYSA-N 369.461 4.701 0 50 FJAA Cc1ccc(C)c(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)c1 1073795 OBRVKDXITVGIPW-UHFFFAOYSA-N 360.442 4.622 0 50 FJAA CCn1cc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cn1 2762941 UZRQXZQCRLFIRK-UHFFFAOYSA-N 357.866 4.960 0 50 FJAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 12302051 MTNRSEOIZVTJPR-GOSISDBHSA-N 366.461 4.601 0 50 FJAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C2CCOCC2)C1 12386831 CQIIBMBQFPJHTO-IBGZPJMESA-N 365.473 4.553 0 50 FJAA Cc1c[nH]c(C(=O)N2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)c1 71575405 DUCHDAHNBUIZGI-MRXNPFEDSA-N 364.411 4.827 0 50 FJAA CCC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](COC)C3)cc2)s1 426640364 GOPWGYFAQQLKDX-OAHLLOKOSA-N 371.502 4.506 0 50 FJAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 952989404 QVIBNXWCAMNGGK-GFCCVEGCSA-N 364.795 4.782 0 50 FJAA Cc1ccc2c(c1)CCN2C(=O)Nc1nc2ccc3scnc3c2s1 1875328108 YZIHKFYUTRZUDC-UHFFFAOYSA-N 366.471 4.809 0 50 FJAA CCC[C@@H](NC(=O)c1cc2c(nc1O)CC[C@H](CC)C2)C1CCCCC1 1875354323 DMPXMUCYIXFRKG-HNAYVOBHSA-N 358.526 4.781 0 50 FJAA CSc1nnc2c(n1)O[C@@H](c1ccc3ccccc3c1)Nc1ccccc1-2 675510 ONYYHRMGGMZCIF-IBGZPJMESA-N 372.453 4.917 0 50 FJAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Br 997263 BQXMPAXTEQOSGX-JTQLQIEISA-N 354.631 4.509 0 50 FJAA COc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1OC 1211965 LCTKMKLTGQCUHL-UHFFFAOYSA-N 371.440 4.926 0 50 FJAA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(F)c(F)c1 1230532 GLNYEISHAZOPES-UHFFFAOYSA-N 370.833 4.959 0 50 FJAA Cc1ccc(C)c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 2666957 HPHQKALVYJEXJO-AWEZNQCLSA-N 351.705 4.574 0 50 FJAA C[C@]1(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1(Cl)Cl 2998942 TYBKZDQICCYCEL-OAHLLOKOSA-N 356.249 4.641 0 50 FJAA C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)on1 3907711 GCLYWSUUDJNWGC-RYUDHWBXSA-N 363.255 4.507 0 50 FJAA CCOc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 4118193 ZROHCIIRJKRMCU-KRWDZBQOSA-N 364.850 4.557 0 50 FJAA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(F)cc1F 4543215 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IBDPHWKMVWAVBA-UHFFFAOYSA-N 352.869 4.673 0 50 FJAA Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(cc12)CCCCC3 663244 GNWMIGGWYVJKDX-UHFFFAOYSA-N 355.438 4.539 0 50 FJAA O=Cc1cn(-c2ccc(F)cc2)nc1-c1cc(F)c(Cl)cc1Cl 732211 DFLHDMKXGGSTMC-UHFFFAOYSA-N 353.155 4.937 0 50 FJAA CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)cc1 1049491 HIAILDLZZUWVNV-UHFFFAOYSA-N 368.483 4.744 0 50 FJAA O=C(Nc1ccccc1)Nc1nnc(SCc2ccc(F)cc2)s1 1214923 ZHSNXXDILMHXEL-UHFFFAOYSA-N 360.439 4.614 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 1243765 SGQAJCXIEVSIPK-UHFFFAOYSA-N 374.853 4.723 0 50 FJAA CCCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 1859790 RNCIJGHXTXBEKJ-UHFFFAOYSA-N 352.478 4.714 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1ccccc1)Nc1ccccc1-2 2062109 SSBNDNQPIOYCNS-QGZVFWFLSA-N 350.447 4.544 0 50 FJAA CCN(CC)c1ccc([C@H]2OC(=O)C(C)(C)C(=O)C23CCCCC3)cc1 2816970 QYSMVZAHSXYSFW-GOSISDBHSA-N 357.494 4.677 0 50 FJAA Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 2852651 CMJGDMOSIMNSQU-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(Cl)cc1 4103757 KFDDPMHUFQEHAL-UHFFFAOYSA-N 356.853 4.609 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 4749775 QKZLDNRBALLSQK-UHFFFAOYSA-N 370.452 4.842 0 50 FJAA COc1ccc(C[C@@H](C)NCCc2ccc(Cl)cc2Cl)cc1OC 12383600 UETQWKLMZKGYLE-CYBMUJFWSA-N 368.304 4.774 0 50 FJAA Cc1c([C@@H](C)NC(=O)CCCCc2ccccc2)cnn1-c1ccccc1 14968820 MJWIUFGDHOTXCC-GOSISDBHSA-N 361.489 4.771 0 50 FJAA CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 95388351 PYDDCCSZVYONDQ-NRFANRHFSA-N 370.456 4.620 0 50 FJAA CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H]1CO1 144744145 RNEWHVGIIQSAAL-RTBURBONSA-N 365.395 4.546 0 50 FJAA CC1(C)C[C@@]1(C(=O)NCCSCc1ccccc1)c1ccc(F)cc1 216165149 NCNMIAZUJBJLCK-NRFANRHFSA-N 357.494 4.543 0 50 FJAA COc1ccc(-c2csc3nc(=S)n(-c4ccccc4)c(O)c23)cc1 239275023 BCEBEWSXWURPPA-UHFFFAOYSA-N 366.467 5.198 0 50 FJAA CC(=O)c1ccc(C(=O)N2CCC(Sc3ccc(C)cc3)CC2)s1 244898953 ZEOFBPCMUZIQPD-UHFFFAOYSA-N 359.516 4.656 0 50 FJAA CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCC3(CCC3)CC2)CC1 1875334142 AOZINLHYYVRUPV-NRFANRHFSA-N 372.528 4.782 0 50 FJAA C[C@@H](CNC(=O)c1cccc(-c2cc[nH]n2)c1)c1c(Cl)cccc1Cl 1875350002 WPUPBOBXCNRJBE-LBPRGKRZSA-N 374.271 4.917 0 50 FJAA C[C@H](SCCCn1ccnc1)c1nnc(-c2ccc3ccccc3c2)o1 2325760023 KXRDOQUDTHSFDO-HNNXBMFYSA-N 364.474 4.971 0 50 FJAA Cc1cc2nccnc2cc1C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 2325842976 OHTRSLBQJYKVAG-AWEZNQCLSA-N 359.404 4.722 0 50 FJAA CC(C)C(=O)NC1CCN(c2nc(-c3ccc(C(C)C)cc3)cs2)CC1 2325866459 LTJDAVNHOSSTBB-UHFFFAOYSA-N 371.550 4.675 0 50 FJAA COc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 689562 DJVFTLLJJRQTAI-UHFFFAOYSA-N 366.486 4.777 0 50 FJAA CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1 993955 DMZGGHPSBBOWSR-CQSZACIVSA-N 357.475 4.546 0 50 FJAA Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c(C)c(C)c(=O)oc2c1 1164933 REPRDEJVEGCERM-UHFFFAOYSA-N 356.805 4.633 0 50 FJAA biogenic O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccc(Br)cc1 1176287 XLNADCZGVXBIOZ-GDNBJRDFSA-N 374.259 4.686 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 1217665 ABQUANASFJISPS-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)OCC(Cl)=C(Cl)Cl 2057879 ISHBTWWXJNTDFW-UHFFFAOYSA-N 364.439 4.801 0 50 FJAA CCOc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 2263916 FHQFFDRPHNOOCP-UHFFFAOYSA-N 356.838 4.572 0 50 FJAA O=C1OCC(c2ccc(Cl)cc2)=C1c1ncc(C(F)(F)F)cc1Cl 4051680 MEVODFKMBPUVCS-UHFFFAOYSA-N 374.145 4.875 0 50 FJAA Cc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O 4866886 PQUZIARZYGKQEF-NTCAYCPXSA-N 354.409 4.570 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccccc1)C3 9698364 ZMFDKGQHQKLZGW-KRWDZBQOSA-N 371.415 4.757 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(Cc2cccs2)C1 20776149 ZKGLCGRMRGEAMN-CYBMUJFWSA-N 359.445 4.796 0 50 FJAA Cc1ccc2nc(C)cc(C(=O)N(C)CCn3ccc4ccccc43)c2c1 77459529 GUSMPPWXSICWNF-UHFFFAOYSA-N 357.457 4.579 0 50 FJAA CC(C)(C)c1ncc(CNc2nnc(-c3ccc4c(c3)CCC4)o2)s1 225430331 HKMFBGXEBCKKEA-UHFFFAOYSA-N 354.479 4.591 0 50 FJAA Fc1cccc([C@H]2CCCCCN2Cc2cc(-c3cccnc3)no2)c1 243901458 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O=C(Nc1c(-c2cccs2)nc2ccc(Cl)cn12)c1ccccc1 624102 UXAXXXUCVOHSQJ-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCO2 1115087 BHTTWYXPNLEZGU-UHFFFAOYSA-N 370.257 4.594 0 50 FJAA Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)O)Cc1ccc(Cl)cc1 1171966 WCYGUXMNQWIJOV-ZDUSSCGKSA-N 366.244 4.574 0 50 FJAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1 1188332 RIVALSAXYFQDBY-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA COc1cccc(CNC(=S)Nc2ccc(Nc3ccccc3)cc2)c1 2448765 OWMPNKOLNNESJN-UHFFFAOYSA-N 363.486 4.925 0 50 FJAA C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)CCCC2 2833686 OPFVZYPDDMMYRS-SECBINFHSA-N 369.333 4.752 0 50 FJAA COc1cc(C)ccc1OCCCOc1ccc(Br)cc1 2986858 HRBMKUVIDABXTP-UHFFFAOYSA-N 351.240 4.614 0 50 FJAA C[C@@H](N/C=C(/C(=O)N[C@H](C)c1ccccc1)C(F)(F)F)c1ccccc1 5285736 WQORNXYVQAVJIS-MZCPEVEUSA-N 362.395 4.661 0 50 FJAA Cc1ccc(F)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 15568725 QZWKRGWWWIJLID-UHFFFAOYSA-N 354.381 4.570 0 50 FJAA O=C(c1cc2sccc2[nH]1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71750709 DYRNPVCXRZQWND-OAHLLOKOSA-N 356.466 4.854 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)Cc3cccc(SC)c3)oc2c1 92046065 HNERKGOVOCKJOK-UHFFFAOYSA-N 355.459 4.744 0 50 FJAA Cc1ccncc1/C=C/C(=O)O[C@@H](C)[C@@H](C)c1nc2ccccc2s1 2325733095 YBEKSEQPNDBPLW-PQAPVRDISA-N 352.459 4.748 0 50 FJAA COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c(OC)cc1Cl 815063 HQASRNMRXJDLEL-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA O=C(Nc1ccccc1C(=O)OCc1ccc(Cl)cc1)c1ccccc1 992924 WOQHICWMIKHBRD-UHFFFAOYSA-N 365.816 4.949 0 50 FJAA O=C(OCC(F)(F)F)c1ccc(COc2ccc(Cl)cc2Cl)o1 2752361 BIQBZYVQPQIKIY-UHFFFAOYSA-N 369.122 4.885 0 50 FJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1c(F)cccc1Cl 2805956 TZQMKQOCUGMLNT-UHFFFAOYSA-N 355.818 4.703 0 50 FJAA O=C(OC1CCCCC1)c1nnsc1Sc1ccc(Cl)cc1 3105595 SOSRCCGRBPQDIC-UHFFFAOYSA-N 354.884 4.832 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)on1 3907643 YGZWRENMFAQJIP-UHFFFAOYSA-N 350.271 4.752 0 50 FJAA C[C@@H]1CC(C)(C)C[C@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1 4092770 QQLVXYUIIGTHTC-XIKOKIGWSA-N 371.399 4.951 0 50 FJAA CN(C)CCN(Cc1ccccc1)CC(c1ccccc1)c1ccccc1 22027669 WDZRVHOEEFBQOV-UHFFFAOYSA-N 358.529 4.882 0 50 FJAA CC[C@@H](C)c1c(-c2ccccc2)ncn1CCc1nc(-c2cccnc2)no1 65395617 AHQAYBPFTGJWPF-MRXNPFEDSA-N 373.460 4.751 0 50 FJAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2nc3ccccc3o2)n1 67771115 GQWLSYDTIOJETP-UHFFFAOYSA-N 369.428 4.633 0 50 FJAA Cc1oc(-c2ccccc2F)nc1C(=O)N1CCCc2cccc(F)c21 151641113 ALWICEJTGUGJTQ-UHFFFAOYSA-N 354.356 4.521 0 50 FJAA CCOc1ccc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)cc1 426401632 CUIGUUMSKQZQGH-NRFANRHFSA-N 367.489 4.784 0 50 FJAA CN(Cc1cc(-c2ccccn2)no1)C(=O)NCCC1CCCCCCC1 426545135 QPZNCVHCALJKSE-UHFFFAOYSA-N 370.497 4.629 0 50 FJAA Cc1ccc(Cl)cc1CNC(=O)c1ccc(-c2ccncc2)c(F)c1 1875350031 YHTUHENOQFUBKE-UHFFFAOYSA-N 354.812 4.780 0 50 FJAA CCC[C@H](NC(=O)c1cc2c(nc1O)CC[C@H](CC)C2)C1CCCCC1 1875354324 DMPXMUCYIXFRKG-KXBFYZLASA-N 358.526 4.781 0 50 FJAA Cc1noc(-c2ccccc2)c1C(=O)NCc1noc(-c2ccccc2)c1C 2325819132 UIYUDIDBGWXPQV-UHFFFAOYSA-N 373.412 4.543 0 50 FJAA Cc1ccc(OCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1C 990613 GZZVVJSYXKPUSG-UHFFFAOYSA-N 374.436 4.775 0 50 FJAA COC(=O)c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 1132170 ACRKVRUKTUBAFN-UHFFFAOYSA-N 370.408 4.662 0 50 FJAA Cc1ccc(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)cc1Cl 1132278 UDLGUDMOLPVQCS-UHFFFAOYSA-N 372.635 4.785 0 50 FJAA COc1cccc(OCCCOc2cc(C)c(C)cc2Br)c1 2994619 RWHXMEMSWPEFKM-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA Cc1ccc(-n2c(S)nnc2-c2cc(Br)cs2)c(C)c1 6912367 JKRFYAVLQISKIF-UHFFFAOYSA-N 366.309 4.664 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCCC[C@H]3c3cccnc3)c2c1 91713626 UICHWCTUTLXEHN-NRFANRHFSA-N 361.489 4.784 0 50 FJAA FC(F)(F)COc1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1 153399392 HQPDIULDVYGVKL-AWEZNQCLSA-N 359.369 4.515 0 50 FJAA CC(C)c1sc(Cl)nc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 223239229 BRDRLHSVHQETCF-CYBMUJFWSA-N 374.897 4.774 0 50 FJAA FC(F)(F)c1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 239274878 AVAXCWYVNPJHNB-PMACEKPBSA-N 366.471 4.934 0 50 FJAA c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)CCCC3)=N2)cc1 263616164 HLPYVXKTMXQMID-PMACEKPBSA-N 360.457 4.887 0 50 FJAA Cc1ccc(CN(C[C@H](O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 642881152 BNRANURXPKRRKP-IBGZPJMESA-N 366.505 4.517 0 50 FJAA Fc1cc(CNC(c2ccccc2)c2ccccc2)ccc1-n1ccnc1 2325725110 BEMANPGVDYXXPV-UHFFFAOYSA-N 357.432 4.891 0 50 FJAA Cc1cc(OC(=O)COc2ccc3ccccc3c2)ccc1Br 673859 NMHZNIBQHMTFDN-UHFFFAOYSA-N 371.230 4.895 0 50 FJAA O=C(/C=C/c1ccccc1)Nc1nnc(SCc2ccccc2F)s1 1114956 JGCJBOWOFSWPNJ-ZHACJKMWSA-N 371.462 4.621 0 50 FJAA COc1ccc(C)cc1NC(=S)Nc1ccc(Br)cc1 2797467 XTJLVGIYXXAQBW-UHFFFAOYSA-N 351.269 4.575 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1 2840839 DMBAVRZGVYMCCE-UHFFFAOYSA-N 358.869 4.587 0 50 FJAA COc1ccc(CCN(C)C2CCC(c3ccccc3)CC2)cc1OC 4989370 XYRMSVKZPVYWEB-UHFFFAOYSA-N 353.506 4.905 0 50 FJAA CC(C)N1C[C@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@H]1C 5722329 ISISUCXOWWQKPO-YYDVJCTNSA-N 351.490 4.878 0 50 FJAA Clc1ccc(-c2n[nH]cc2CN2CCC[C@H](Nc3ccccc3)C2)cc1 12317560 UFSIXQLWANASGS-FQEVSTJZSA-N 366.896 4.807 0 50 FJAA COc1ccc([C@H](CC(=O)N(C)Cc2ncccc2C)c2ccccc2)cc1 19229062 DSUOUCXCLJMWKU-JOCHJYFZSA-N 374.484 4.579 0 50 FJAA OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 72154971 SQZXYOBAARFCAS-UHFFFAOYSA-N 374.406 4.670 0 50 FJAA CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc([C@H]2CCCNC2)cc1 95377876 UYUYPNXKRVKVOU-KRWDZBQOSA-N 374.887 4.608 0 50 FJAA O=C([C@@H]1CCOc2ccccc21)N(CC1CCCCC1)c1ccccn1 157549005 LSAUIUNTOYTXAE-LJQANCHMSA-N 350.462 4.561 0 50 FJAA CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1cccc(C(C)(F)F)c1 280964277 IQACCRIAERERKQ-MRXNPFEDSA-N 362.424 4.774 0 50 FJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccnc(Br)c1 307710058 OICLTQVXTGPTPH-UHFFFAOYSA-N 373.247 4.521 0 50 FJAA Cc1ccccc1-c1ncc(-c2nccn2CC[C@H]2CCCCO2)s1 1857692746 RZHMBJJKGFBVAN-MRXNPFEDSA-N 353.491 4.941 0 50 FJAA CC(C)(CNC(=O)CCc1ccc(-c2ccccc2)cc1)c1ccncc1 2325745120 SULTXRIXLDCRPM-UHFFFAOYSA-N 358.485 4.775 0 50 FJAA CN(C)CC[C@@H](N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cccnc1 2325828241 BRKZLORPXMPWRL-QZTJIDSGSA-N 364.320 4.658 0 50 FJAA O=C(N[C@H](CC1CCCCC1)c1ncccn1)c1ccc(CC2CC2)s1 2325853659 YFIMYKOVEOVHPU-GOSISDBHSA-N 369.534 4.932 0 50 FJAA O=C(Nc1ccccc1C(=O)O)OCC1c2ccccc2-c2ccccc21 622112 CNAVPEPPAVHHKN-UHFFFAOYSA-N 359.381 4.746 0 50 FJAA in-vitro Cc1nccn1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 799163 UBSZWJQSQYZWPU-HNNXBMFYSA-N 374.271 4.667 0 50 FJAA O=C(/N=c1\[nH]c2ccccc2n1Cc1ccccc1Cl)C1CCCCC1 1157010 GKVQDULCRHASKV-UHFFFAOYSA-N 367.880 4.679 0 50 FJAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1Cl 1165336 VQDWZTRJKPMINU-MRXNPFEDSA-N 370.880 4.763 0 50 FJAA COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC 1180204 YJUQWGUCJFEHLT-JTQLQIEISA-N 354.233 4.502 0 50 FJAA COc1cccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1 1208376 FVUHEXQTYXSZPB-UHFFFAOYSA-N 374.396 4.770 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1ccc(Cl)cc1Cl 2983999 FVBBFHRCZNWTOK-UHFFFAOYSA-N 371.260 4.785 0 50 FJAA COc1cccc(OC)c1OCCCOc1cc(Cl)ccc1Cl 2985355 VVTLIPYRUXMNAA-UHFFFAOYSA-N 357.233 4.859 0 50 FJAA Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1 17124419 DFXHVCZOLBHUSQ-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA COc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C)c3)C2)c1 20601077 GVOOJMWBHUVLIA-HXUWFJFHSA-N 361.489 4.773 0 50 FJAA COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 42995835 LTIIYDXCTSIEAB-SFHVURJKSA-N 365.452 4.604 0 50 FJAA C[C@H]1OC(C)(c2ccc3ccc(C4(C)O[C@H](C)[C@@H](C)O4)cc3c2)O[C@@H]1C 43763766 UWPDUQFHQJJQFW-KLHDSHLOSA-N 356.462 4.833 0 50 FJAA CN(Cc1ccccc1Cl)N1C(=O)[C@H](c2ccccc2)c2ccccc21 44124887 DIVPTKOHHBYOFV-OAQYLSRUSA-N 362.860 4.866 0 50 FJAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2c1 77342459 XDFFOHRNVSBGAD-JOCHJYFZSA-N 359.473 4.778 0 50 FJAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc3sc(C)nc3c2)c1 77536883 DRVKEBKQBHFRFV-SFHVURJKSA-N 352.459 4.591 0 50 FJAA COc1ccccc1OC1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 216357849 WUZBUDVVTJIJPS-HXUWFJFHSA-N 371.477 4.573 0 50 FJAA Cc1ccccc1-c1cccc(CNC[C@@H]2CC(=O)Nc3ccccc32)c1 237719974 KEAQSNCZWNXJQN-FQEVSTJZSA-N 356.469 4.878 0 50 FJAA CC(=O)c1ccccc1-c1cccc(C(=O)N(C)CCC[C@@H]2CCCO2)c1 426383132 LVEKTCOWIAFLAV-HXUWFJFHSA-N 365.473 4.587 0 50 FJAA O=C(OCC(=O)c1cccc2ccccc12)c1cc2ccccc2cc1O 987251 FPMAQGKOXKERCS-UHFFFAOYSA-N 356.377 4.738 0 50 FJAA Cc1ccc(OC(=O)COc2ccc(Cl)cc2Br)c(C)c1 1114849 JNGABVVNAWQDNX-UHFFFAOYSA-N 369.642 4.704 0 50 FJAA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1cc2ccccc2o1 1178364 YENLKSOVBPJBJZ-UHFFFAOYSA-N 372.449 4.811 0 50 FJAA Cn1cc([C@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c2ccccc21 2413651 VMBMYWQHFKRSJD-GFCCVEGCSA-N 373.239 4.532 0 50 FJAA Cc1cc(Br)c(NC(=O)CSc2ccccc2)cc1C 2859194 SXGSERUXHIMWGZ-UHFFFAOYSA-N 350.281 4.797 0 50 FJAA COc1cc(C=O)ccc1OCCOc1c(C)cc(Cl)cc1Cl 2985918 SXEQMQXWIQGBCJ-UHFFFAOYSA-N 355.217 4.581 0 50 FJAA O=C1CSC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 4343579 YJYDZMNTWSEWMQ-UHFFFAOYSA-N 359.450 4.674 0 50 FJAA Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc2c(C)cc(=O)oc2c1 6401204 QTMJYDIKFKDHBG-UHFFFAOYSA-N 364.470 4.559 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3cccc4cnccc34)c2C)cc1 12480560 VCVWDVOYQVEBOQ-INIZCTEOSA-N 372.472 4.588 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)n2)cc1 13330852 UKUWESDNEZQDJQ-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA O=C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 34925671 DQQKEYDDVSREIE-UHFFFAOYSA-N 368.068 4.566 0 50 FJAA Cc1cc2nc(C(C)C)cc(NCc3cc(-c4ccc(F)cc4)no3)n2n1 72418140 AVFVIYSIJCTHLK-UHFFFAOYSA-N 365.412 4.567 0 50 FJAA C[C@@H]1CCCCN1CCCNC(=O)N(c1ccccc1)c1ccccc1 96028176 BARWNAQTOFVURO-LJQANCHMSA-N 351.494 4.799 0 50 FJAA Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)c2)cc1 224715779 NOESMJBODNBEAM-UHFFFAOYSA-N 352.441 4.829 0 50 FJAA CCN(Cc1ccc(Cl)s1)C(=O)c1csc(C(F)(F)F)n1 225575832 RTVLUUJNIWXLTI-UHFFFAOYSA-N 354.806 4.539 0 50 FJAA O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CC[C@H]2CCC[C@H]21 333443343 MGOHCICCVHEFCY-MLGOLLRUSA-N 359.376 4.558 0 50 FJAA Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(Cl)c1 427066661 GVGXEYYDWKCGNS-QGZVFWFLSA-N 368.235 4.655 0 50 FJAA C[C@@H](c1ccc(-c2ncnn2Cc2ccc(Cl)cc2)o1)N1CCCCC1 825540745 DBNFIGYFOPOJBP-HNNXBMFYSA-N 370.884 4.787 0 50 FJAA Cc1nc(C(=O)Nc2cccc3[nH]ccc23)c(-c2ccc(F)cc2)s1 888103937 MLICXDSEXNBRJT-UHFFFAOYSA-N 351.406 4.991 0 50 FJAA CN(C)CC[C@H](N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cccnc1 2325828243 BRKZLORPXMPWRL-ZWKOTPCHSA-N 364.320 4.658 0 50 FJAA Cc1ccccc1C(=O)Nc1cccc(OCC(=O)c2ccc(F)cc2)c1 993052 ZNXIJEPNCRKQLV-UHFFFAOYSA-N 363.388 4.648 0 50 FJAA CNC(=S)N(Cc1ccc(OC)cc1OC)c1ccc(C(C)(C)C)cc1 1079290 YTKKZIQQRQSNTB-UHFFFAOYSA-N 372.534 4.512 0 50 FJAA CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2ccccc12 1116857 NVTVYTRZLZYPFD-UHFFFAOYSA-N 373.861 4.913 0 50 FJAA CCCCOc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 1777438 QJEFMFLTYZLLCA-ACCUITESSA-N 355.434 4.535 0 50 FJAA Cc1ccc(OCn2ccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)c(C)c1 2796535 ZYIIHIQIZREMOV-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA CC(C(=O)Nc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F 2831419 CWPWOFMALSPMPO-UHFFFAOYSA-N 364.083 4.519 0 50 FJAA biogenic O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(OCc2ccccc2)cc1 2861408 DJZNAAKEHDMRCK-UHFFFAOYSA-N 371.392 4.624 0 50 FJAA CCOc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2946801 SGXAUCAUQRTGPL-HZPDHXFCSA-N 350.245 4.611 0 50 FJAA COc1cc(/C=C/c2ccc3ccccc3n2)c(Cl)cc1OC(C)=O 5065432 MVCSNQWVNGPKIT-CSKARUKUSA-N 353.805 4.993 0 50 FJAA CC(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 9231752 NWTBASBZLAUGLX-UHFFFAOYSA-N 354.450 4.568 0 50 FJAA Clc1ccc(-c2ccc(CN3CCN(Cc4ccccc4)CC3)o2)cc1 19608787 VJXURGWBRQSKOF-UHFFFAOYSA-N 366.892 4.918 0 50 FJAA COc1ccccc1-n1nc(-c2ccc(Cl)cc2Cl)cc1C(=O)O 25764001 XKDABZUWFWKPNV-UHFFFAOYSA-N 363.200 4.553 0 50 FJAA COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 38823894 UUINYPIVWRZHAG-UHFFFAOYSA-N 355.397 4.587 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@H]3c3c(C)noc3C)c(C)c2c1 91587130 DDZNVOMDYYEVCA-KRWDZBQOSA-N 351.450 4.675 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(c2ccccc2)CC1 156394687 RPMFZAXUKGVCGQ-UHFFFAOYSA-N 351.494 4.781 0 50 FJAA Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)N1C[C@H](C)CC[C@@H]1C 170652449 JBYBZOKNSGLKKF-CABCVRRESA-N 352.482 4.710 0 50 FJAA CC1(C)CN(C(=O)c2csc([C@H]3CCCO3)n2)c2cccc(Cl)c21 179388322 DSDHSCUDSBCEOD-CQSZACIVSA-N 362.882 4.586 0 50 FJAA Cc1ccc(N[C@@H](c2c[nH]c3ccccc23)[P@]2(=O)O[C@@H](C)[C@@H](C)O2)cc1 239412507 SUJTZZWELBPEGF-FWAXEGHFSA-N 370.389 5.604 0 50 FJAA CC(=O)c1cccc(-c2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)c1 426521530 VSYZZLWXUBZMEO-JOCHJYFZSA-N 365.473 4.587 0 50 FJAA CC(C)(CC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)C1CC1 452528280 CDUZFDGVJVNXHX-UHFFFAOYSA-N 360.445 4.694 0 50 FJAA FC1(F)CC2(CC(NCc3ccnc4c(Br)cccc34)C2)C1 2325758168 QMBCJZXZSHIUHJ-UHFFFAOYSA-N 367.237 4.665 0 50 FJAA CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1[C@@H](C)CCC2 937397 MSVVOLXXERYBHI-LBPRGKRZSA-N 359.447 4.976 0 50 FJAA COc1cc(/C=C/C(=O)N2CCCCCC2)ccc1OCc1ccccc1 951240 OGXCXXAEXRRSIW-WYMLVPIESA-N 365.473 4.690 0 50 FJAA COC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 955557 YSWZZBKTEVZBMY-SECBINFHSA-N 364.879 4.665 0 50 FJAA O=C(Nc1nncs1)c1cc(-c2ccccc2Cl)nc2ccccc12 997402 YKRJUXQARPUUSX-UHFFFAOYSA-N 366.833 4.659 0 50 FJAA CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)CCc1ccccc1 1111288 JAWCLQBVMGPLCH-UHFFFAOYSA-N 357.866 4.593 0 50 FJAA O=C(Nc1cccc(C(=O)OCc2ccccc2Cl)c1)c1ccccc1 1140799 AKJOEGXAETUXBW-UHFFFAOYSA-N 365.816 4.949 0 50 FJAA Cc1ccc2oc(-c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)nc2c1 1176455 YBYOTHXZPXLSAH-UHFFFAOYSA-N 360.413 4.732 0 50 FJAA COC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1Cl 1387997 PKWUXPFYBUJIRO-UHFFFAOYSA-N 368.241 4.969 0 50 FJAA Cc1ccccc1-n1c(S)nnc1COc1ccc(C(C)(C)C)cc1 2544683 HNFBXQSVJFFEPU-UHFFFAOYSA-N 353.491 4.741 0 50 FJAA CCCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 3772505 RPBOVUWGOQOEDY-RDTXWAMCSA-N 368.506 4.918 0 50 FJAA O=C1N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1 4699397 BHDYAGABIGXSFB-MKMNVTDBSA-N 367.619 4.744 0 50 FJAA O=C(Nc1cccc(Cn2cc(Cl)cn2)c1)Nc1ccc(F)cc1F 5060809 JHDFKHNOALYZCK-UHFFFAOYSA-N 362.767 4.507 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC[C@@H]2CCCO2)cc1 6153025 PJHOKSXKMIVPAN-KRWDZBQOSA-N 365.351 4.516 0 50 FJAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2cccs2)cc1Cl 15837550 NAWOWHUQXMOZFJ-CYBMUJFWSA-N 366.870 4.788 0 50 FJAA Cc1nn(C)cc1CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71708133 COMFPAJOQURGGX-INIZCTEOSA-N 365.443 4.592 0 50 FJAA CC1(C)Oc2ccc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)cc2O1 170620422 UVBYDDYOFDVVGI-FQEVSTJZSA-N 367.445 4.833 0 50 FJAA O=C(O[C@H](c1ccc(Br)cc1)C1CC1)[C@@H]1C[C@@H]1c1ccco1 222066173 YQBPAMOYCMYTSO-UXLLHSPISA-N 361.235 4.840 0 50 FJAA C[C@H]1CCc2c(sc3ncnc(N4CC[C@@H](Nc5ccccc5)C4)c23)C1 229793799 QYUZIADLONNFBK-GOEBONIOSA-N 364.518 4.507 0 50 FJAA C[C@H](C(=O)NCc1ccc2ccoc2c1)c1cccc(Br)c1 2325737078 SRJMSSLYXHMUJB-LBPRGKRZSA-N 358.235 4.615 0 50 FJAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 1131274 RUSOYIPXLZXXQL-CVEARBPZSA-N 370.518 4.643 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(Cl)cc2s1 1218664 IEXMAWQJSITQLT-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA Cc1cccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 4579395 ICPCAFWEBHPKEN-MHWRWJLKSA-N 358.850 4.754 0 50 FJAA CCCn1c(=N)n(CCOc2ccc(Cl)cc2Cl)c2ccccc21 19953731 VDCAZAIMQDVKAV-UHFFFAOYSA-N 364.276 4.718 0 50 FJAA CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)c1 72431190 NCMJPCRDSQWLDR-NRFANRHFSA-N 369.480 4.897 0 50 FJAA Clc1cccc2ccc(N3CCCN(Cc4cccs4)CC3)nc12 95497687 WKVVRELIADBRAJ-UHFFFAOYSA-N 357.910 4.662 0 50 FJAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1C 96148308 SESGYCMPBFSQET-UHFFFAOYSA-N 372.900 4.796 0 50 FJAA CN(CCC1CCOCC1)C(=O)Nc1ccccc1Oc1ccc(F)cc1 299769677 PCOPWYPPGGEOLK-UHFFFAOYSA-N 372.440 4.898 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(Cc3cccnc3)CC(C)C)cc2)cn1 426634012 RTPOQGVLJYSUKJ-UHFFFAOYSA-N 359.473 4.750 0 50 FJAA CC[C@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)c1ccc(Cl)cc1 1472912058 ZZVFNTPVDZIUEL-INIZCTEOSA-N 360.866 4.979 0 50 FJAA Cc1ccc2c(C)cc(NCc3ccccc3CN3CCCC3=O)nc2c1C 1704338956 ADWURINLSRFGDI-UHFFFAOYSA-N 373.500 4.895 0 50 FJAA Cc1cc(C)cc([C@H]2CCCN2C(=O)c2cnc3snc(C)c3c2)c1 1875258615 KKJYKELAMIFDME-GOSISDBHSA-N 351.475 4.594 0 50 FJAA Cc1ccc(S(=O)(=O)[C@H]2c3ccccc3Oc3ccc(F)cc32)cc1 643744 SBYFDKLOIYBZPL-FQEVSTJZSA-N 354.402 4.803 0 50 FJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 669228 FBLPFXARKXZVCO-LLVKDONJSA-N 368.658 4.817 0 50 FJAA COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1Cl 1161309 VJJPGUYAQCRVAN-UHFFFAOYSA-N 365.260 4.855 0 50 FJAA Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 1183109 BYPHVUDRIXDXRB-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA CN(Cc1ccccc1)C(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 2880033 BGZSSYWCOYULHT-UHFFFAOYSA-N 369.424 4.676 0 50 FJAA CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc4ccccc4o3)cc12 3902783 AKVPISDQSMDGFM-UHFFFAOYSA-N 364.353 4.883 0 50 FJAA biogenic CCOc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 4031660 WGPDKWRUKLTLJN-UHFFFAOYSA-N 356.491 4.850 0 50 FJAA CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 4754659 VGGROEUSDULSSJ-BOPFTXTBSA-N 373.861 4.975 0 50 FJAA CC(C)Cc1ccc([C@@H](C)C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 4951751 VMFHPBILVMKRFS-MRXNPFEDSA-N 363.457 4.896 0 50 FJAA CCO[C@@H](c1ccccc1)[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 5334895 LTVYVPNMZWITOX-HNAYVOBHSA-N 357.406 4.556 0 50 FJAA COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@H]2c1ccc2c(c1)OCO2 13858033 YFFANTJXDLXGOI-ORHBMQHOSA-N 368.429 4.578 0 50 FJAA CCCN1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 16579867 IUFTYRMAVURPDU-NRFANRHFSA-N 368.546 4.511 0 50 FJAA Cc1cc(C)cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1 20615996 YDBAJWXEVSMMLY-UHFFFAOYSA-N 353.369 4.523 0 50 FJAA O=C(c1ccccc1Cl)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67786504 DGWAKPXPWFIDOT-MRXNPFEDSA-N 370.663 4.861 0 50 FJAA BrC1(Br)[C@]23CC=CC[C@@]12Cc1ccccc1C3 101037991 VRXMJVLAEYAFRM-KBPBESRZSA-N 354.085 4.608 0 50 FJAA CC(=O)c1csc(C(=O)Nc2nc3ccccc3n2C2CCCC2)c1 133874182 GFMIPVMZEKWBEA-UHFFFAOYSA-N 353.447 4.668 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cccc(F)c1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245254600 ATFVUDFVPCXXQB-XPKSOJLESA-N 355.384 4.960 0 50 FJAA 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 252693678 FLJCISDPSGXWGJ-LXNNMKQJSA-N 369.505 4.891 0 50 FJAA biogenic 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 257349424 OAWOATRDZLDNDV-UHKZQNDXSA-N 362.554 4.769 0 50 FJAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1ccc(O)cc1 263587367 GBSPLCPQPRDTRJ-QFIPXVFZSA-N 356.425 4.965 0 50 FJAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1 426445657 RFDVKDSVGBFSFG-LJQANCHMSA-N 371.452 4.533 0 50 FJAA Oc1nc2ccccc2n1CCCSc1cccc(C(F)(F)F)c1 1458768997 KQJZDGLWMGARRG-UHFFFAOYSA-N 352.381 4.943 0 50 FJAA COc1cc(Br)c(CNc2ccc(F)cc2C)cc1OC 851066 JCBDFGNSBZKRPL-UHFFFAOYSA-N 354.219 4.526 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(OCC(=O)c3ccc(F)cc3)cc2)cc1 993060 OEMOJOFHRKLLOX-UHFFFAOYSA-N 363.388 4.648 0 50 FJAA CCCc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)cc1 1073910 FCOBMNGGDJYYES-UHFFFAOYSA-N 374.469 4.958 0 50 FJAA Cc1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1C 1133049 VKUIOILDMZGLOA-LJQANCHMSA-N 351.490 4.552 0 50 FJAA COc1cc(OC)c(C(=O)Nc2ccccc2-c2ccccc2)cc1OC 1133327 DBNZOKIKMUQSOU-UHFFFAOYSA-N 363.413 4.632 0 50 FJAA Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1C 1144679 SVQJYQCXGURVGN-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 2881990 HJEOXAYYVGXFEF-UHFFFAOYSA-N 361.776 4.513 0 50 FJAA COc1ccccc1C(=O)Nc1c(-c2ccccc2)nc2cc(C)ccn12 3893796 HSCKUZDQUMECJA-UHFFFAOYSA-N 357.413 4.571 0 50 FJAA Cc1ccc2c(c1)CN(Cc1cccc(C)n1)C[C@H](c1ccsc1)O2 12183901 DLAJATNQNMJPKA-OAQYLSRUSA-N 350.487 4.896 0 50 FJAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc1 15867101 ACVNMXKEYSWUNP-QGZVFWFLSA-N 372.490 4.992 0 50 FJAA CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 19770661 DMOWZSYXSWRCIZ-FOWTUZBSSA-N 364.536 4.524 0 50 FJAA CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@H]1C/C=C\CCCC(=O)O 27640167 LLVVDFDWPQHXBA-YNACZOQASA-N 364.526 4.916 0 50 FJAA in-vitro c1cncc(CN(Cc2ccsc2)Cc2ccc(-c3ccn[nH]3)s2)c1 55118869 OMXGGLZMGXCAQA-UHFFFAOYSA-N 366.515 4.797 0 50 FJAA CCc1cc(C(=O)NCc2cc(C)cc3c(C)c(-c4ccccc4)[nH]c23)on1 71749768 IZSFNUHURCFRDL-UHFFFAOYSA-N 373.456 4.932 0 50 FJAA O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(Oc2ccccc2)c1 72158247 RVIKZKFDFMBDHP-JOCHJYFZSA-N 351.446 4.541 0 50 FJAA COc1cccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 170612578 OXCBKFDUSGYNSS-SFHVURJKSA-N 363.244 4.700 0 50 FJAA Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3Cl)oc12 226270654 VWBIMISTMPLFQW-UHFFFAOYSA-N 354.715 4.957 0 50 FJAA O=C(CCn1ccc2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 252497280 QCVSJQFXJNRTJF-OAQYLSRUSA-N 372.472 4.662 0 50 FJAA COc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3c3cccnc3)c2)cn1 426502845 FSTKTLRKJXKTBD-NRFANRHFSA-N 373.456 4.520 0 50 FJAA O=C(c1ccc(-c2cc(O)c(F)c(F)c2)cc1)N1C[C@H]2CCC[C@@H](C2)C1 1565531148 ODOVNOCWSPVFLV-KBPBESRZSA-N 357.400 4.600 0 50 FJAA COc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(OC)c1 813385 CRIMDJIEACYEDT-UHFFFAOYSA-N 369.446 4.529 0 50 FJAA CCCc1cc(=O)[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)n1 956047 XUIZNSMIJXRWMO-UHFFFAOYSA-N 363.697 4.975 0 50 FJAA Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)s1 1114825 UOJHOWKPXGTJHC-UHFFFAOYSA-N 359.454 4.597 0 50 FJAA O=S(=O)(Cc1ccccc1Cl)Nc1cccc(Cl)c1Cl 1140646 JHQJJKCPDVVQJG-UHFFFAOYSA-N 350.654 4.589 0 50 FJAA O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(Cl)cc1Cl 1196025 QNZHUJBZYRUCEP-UHFFFAOYSA-N 368.220 4.903 0 50 FJAA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc2ccccc2o1 1204178 YETMHINSGRFIIU-UHFFFAOYSA-N 355.353 4.888 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1 1912572 BLAFVGLBBOPRLP-UHFFFAOYSA-N 371.362 4.965 0 50 FJAA in-vivo Cc1cc(Cl)c(OCCN(C)Cc2ccccc2)c(Br)c1 4905385 YQYGDIWMXIEJIS-UHFFFAOYSA-N 368.702 4.922 0 50 FJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)NC1CCCCC1 8275218 CGPPCCFZRRWTJV-UHFFFAOYSA-N 360.889 4.656 0 50 FJAA CC[C@@H](C)NC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 12299770 GOGZUVOUQRSDGH-SNVBAGLBSA-N 367.396 4.610 0 50 FJAA Cc1nn2c(N3CCCC3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799274 QSGCFUZRCHGPFS-UHFFFAOYSA-N 352.457 4.742 0 50 FJAA CCc1ncc(-c2cc(C(=O)N3CCCCCC3)c3cc(C)ccc3n2)cn1 63885088 ZJLVHACXQOZXNV-UHFFFAOYSA-N 374.488 4.579 0 50 FJAA CCc1c(C)nn(CCn2cnc(-c3ccccc3)c2-c2cccnc2)c1C 65527825 CAIHFFKDZNOOEF-UHFFFAOYSA-N 371.488 4.688 0 50 FJAA CN(Cc1ccc([C@@H]2CCCO2)s1)Cc1ccccc1CN1CCCC1 215381200 XUDNVGUJXPIRGH-NRFANRHFSA-N 370.562 4.827 0 50 FJAA Cc1nc(-c2cccnc2)nc(N2CCC(c3ccc(F)cc3)CC2)c1C 225458762 YPVXUYHWRYWIRR-UHFFFAOYSA-N 362.452 4.679 0 50 FJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)O)[C@@]4(C)CC[C@H]32)C1 257349790 RDRFJIOUMNDZPW-MSIQVFTCSA-N 362.554 4.958 0 50 FJAA Fc1ccccc1[C@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299741592 GPWBIMZJXKUWRB-MJQMVNBJSA-N 350.393 4.725 0 50 FJAA Cc1cc(Oc2ccncc2)ccc1NC(=O)NC[C@@]12CCCC[C@@H]1C2 1875338887 PHXXFYPUYGHTLR-IERDGZPVSA-N 351.450 4.884 0 50 FJAA CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 724332 ULIWNWORTBXSCN-UHFFFAOYSA-N 367.474 4.725 0 50 FJAA Cc1c(Cl)ccc2c(C(=O)Nc3ccncc3)cc(-c3ccccn3)nc12 1073541 WKHBROXGRAHTDM-UHFFFAOYSA-N 374.831 4.906 0 50 FJAA Cc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5o4)cc3C2=O)cc1C 1209777 UAFYXNURQOQJEJ-UHFFFAOYSA-N 368.392 4.912 0 50 FJAA COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)c1 1211411 HNUJQXACVJKZLU-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2ccccc2C)c1 12586731 UMKQTCIRAWVHTD-QFIPXVFZSA-N 373.500 4.534 0 50 FJAA COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)c1 15867131 MIXCRRJACLLGSA-GOSISDBHSA-N 358.507 4.892 0 50 FJAA CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 19796018 WIKYUJGCLQQFNW-UHFFFAOYSA-N 373.953 4.580 0 50 FJAA biogenic,fda Cc1ccc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nn1 65361847 SFQKFJOVTRMLGN-UHFFFAOYSA-N 372.350 4.800 0 50 FJAA Cc1cc(Cl)c2oc(C(=O)N(Cc3ccccn3)C3CC3)c(C)c2c1 77354882 WFMMARAJTLWZFK-UHFFFAOYSA-N 354.837 4.903 0 50 FJAA Cc1cc(Cl)cc(Cl)c1NC(=S)Nc1nn(C)c2ccccc12 169808570 KSVAQCSCXHNXSX-UHFFFAOYSA-N 365.289 4.997 0 50 FJAA C[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)c1nnnn1C1CCCCC1 189658698 STEXZRATPWGHHX-IFXJQAMLSA-N 357.477 4.509 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2scc3c2CCCC3)cc1 244724192 MPMPRAALIOVMEO-HXUWFJFHSA-N 368.546 4.666 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 257350157 VFBOQACQHXYULH-VDWAWNCFSA-N 360.538 4.977 0 50 FJAA C[C@@H](NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(C(F)F)nc1 850555665 MACJAWBGICEBPV-PSLIRLAXSA-N 361.219 4.710 0 50 FJAA CC(C)c1ccc2c(c1)CN(C(=O)c1cc(O)ccc1C(F)(F)F)CC2 1469902700 CATZTDQKMPMFNU-UHFFFAOYSA-N 363.379 4.733 0 50 FJAA Cc1ccccc1-c1nc([C@@H]2C[C@H](C)O[C@H](C)C2)n(-c2cccnc2C)n1 1875347996 FBCADOKVTFZCGW-VQFNDLOPSA-N 362.477 4.617 0 50 FJAA COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)c1 645457 WLWXFAJUJKMVMF-UHFFFAOYSA-N 372.376 4.688 0 50 FJAA biogenic COc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1Br 943512 MYJLAJIGXZJCCE-VQHVLOKHSA-N 366.642 4.763 0 50 FJAA CCOc1cc(C(=O)N([C@H](C)CC)[C@H](C)CC)cc(OCC)c1OCC 1112104 FTXMOXBKTXBRSH-HZPDHXFCSA-N 365.514 4.922 0 50 FJAA CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2314873 QZCBBOLZQGRLQQ-UHFFFAOYSA-N 370.543 4.886 0 50 FJAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2CC)c1 2812338 PNABIWMJSKSMQX-UHFFFAOYSA-N 356.491 4.555 0 50 FJAA Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1C 2991358 NYCVKTOQDGUFHP-UHFFFAOYSA-N 362.212 4.969 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 14567853 XEFFSZUUNLEYKZ-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 15071551 GHWLGVPEFSGFPE-SFHVURJKSA-N 365.452 4.604 0 50 FJAA CC(C)n1cc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cn1 63845679 YNPDKFFIYOREMC-UHFFFAOYSA-N 362.477 4.695 0 50 FJAA CO[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1)c1ccccc1 65374256 SIJHPRBYKWTWGY-OAQYLSRUSA-N 374.440 4.574 0 50 FJAA CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccnc3ccccc23)O1 65456910 LWPMKPVILZFDFH-FGSXEWAUSA-N 360.457 4.664 0 50 FJAA COc1cccc([C@H]2CCCCN2C(=O)c2ccccc2N2CCCC2)c1 77388266 WJUFYGLTPJCTNF-OAQYLSRUSA-N 364.489 4.663 0 50 FJAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 82136869 RNHSJORQFSFCHS-HXUWFJFHSA-N 363.461 4.537 0 50 FJAA C[C@@H](NC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1)C1CCCCC1 426362073 RIYDQNIMCBWPGN-QGZVFWFLSA-N 369.484 4.901 0 50 FJAA C[C@@H](C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(Cl)c1 460671954 FTZILKUFQBSVBP-CQSZACIVSA-N 365.864 4.636 0 50 FJAA Cc1ccc(CCC(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)cc1 828046562 BCFQXLVFSMPZST-UHFFFAOYSA-N 352.478 4.859 0 50 FJAA Cc1c(NC(=O)c2cc3ccc(Cl)cc3o2)cccc1-c1nnco1 1875335911 LEMBCTTXOVHTSV-UHFFFAOYSA-N 353.765 4.697 0 50 FJAA Cc1cccc(C)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2C)n1 670972 IPCMMUOLLMDVPG-UHFFFAOYSA-N 373.456 4.820 0 50 FJAA CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)c3ccccc3)c12 941159 PQHXXVVGERBWKX-HNNXBMFYSA-N 350.414 4.704 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1CC 994629 VDXCKWPYZQJBKO-UHFFFAOYSA-N 351.855 4.701 0 50 FJAA CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 2397475 DSQMTXJDRNDSKN-UHFFFAOYSA-N 353.369 4.869 0 50 FJAA O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc(Cl)cc1 2995758 YUYSGPWWWDDSGN-UHFFFAOYSA-N 352.846 4.827 0 50 FJAA COc1ccccc1-c1c(C)nn2c(NCc3ccccc3)cc(C)nc12 3063610 ACYKKJRDBFCZFR-UHFFFAOYSA-N 358.445 4.634 0 50 FJAA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCCCC1 4865670 UGEIHRDMFUOLRN-QXMHVHEDSA-N 363.486 4.627 0 50 FJAA CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 18203879 VOEOQPPFSVGMBP-QGZVFWFLSA-N 373.456 4.704 0 50 FJAA Cc1ccc(CN2CCOCC2)cc1N[C@H](C)c1csc(C(C)C)n1 186489761 RCRPIEXHDVVFBQ-MRXNPFEDSA-N 359.539 4.580 0 50 FJAA 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 252693676 FLJCISDPSGXWGJ-JAWHIUDQSA-N 369.505 4.891 0 50 FJAA biogenic Cc1ccc(SCC(=O)OCc2coc(-c3ccccc3)n2)c(C)c1 753568628 GYDRZUTTWMALOJ-UHFFFAOYSA-N 353.443 4.794 0 50 FJAA Cc1c(CN[C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)ccc2ccccc12 1875344038 CCFAHWMYXRQYTD-YADHBBJMSA-N 367.533 4.991 0 50 FJAA c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 877892 LAWHJBCFXOOLBS-UHFFFAOYSA-N 358.470 4.681 0 50 FJAA O=C(NCc1ccc(F)cc1)[C@H](Sc1ccccc1)c1ccccc1 1113865 XUZMMVGHWBZAAV-HXUWFJFHSA-N 351.446 4.976 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 1181243 ITPWKZCNMRWJMH-XCVCLJGOSA-N 351.258 4.520 0 50 FJAA COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 2437643 RTNZXPVHXQOGJH-UHFFFAOYSA-N 363.442 4.828 0 50 FJAA CCn1c(SCCn2c(=S)n(C)c3ccccc32)nc2ccccc21 2995728 SMIBCEHVULCRGB-UHFFFAOYSA-N 368.531 4.871 0 50 FJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(CC2CC2)C1 11775563 NNYWPYSVAVCMFN-IBGZPJMESA-N 352.453 4.553 0 50 FJAA COC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 12000738 LVXFIPBFRIGEDK-SFHVURJKSA-N 367.537 4.603 0 50 FJAA c1ccc(CN2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 19608704 IJKAWMZEORTLJE-UHFFFAOYSA-N 354.497 4.576 0 50 FJAA CN(Cc1cccnc1)C1CCN(c2cccc(-c3ccccc3)c2)CC1 23214067 TXXXSFNDLRVAON-UHFFFAOYSA-N 357.501 4.849 0 50 FJAA Cc1ccnc([C@@H](Nc2cc(-c3ccccc3)nc3ccnn23)C2CC2)c1 72440825 STAUZMQDXCAQTP-QFIPXVFZSA-N 355.445 4.663 0 50 FJAA Clc1ccc([C@H](NCc2cccc(Cn3cccn3)c2)C2CC2)cc1 225546270 CSAJMZJGYZXHJX-OAQYLSRUSA-N 351.881 4.826 0 50 FJAA O=C(Nc1c(Cl)cccc1Cl)c1ccc(Nc2ccccc2)nn1 243296971 LGORYOBQFSWFOE-UHFFFAOYSA-N 359.216 4.779 0 50 FJAA CO[C@H]1CCCN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1 299774205 DZVOKGNPCXKDOU-SFHVURJKSA-N 363.379 4.623 0 50 FJAA CCN(C(=O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1)[C@@H](C)CCO 426379950 VLNPOOOVOCMFTM-ZDUSSCGKSA-N 366.288 4.893 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 622276 OFMAMRGSJZXYCB-SNVBAGLBSA-N 363.866 4.565 0 50 FJAA N=C1S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1nccs1 970303 ZPCGXJFNZYLBST-RBCZPYDQSA-N 371.418 4.598 0 50 FJAA CCSc1nnc2c(n1)O[C@@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 993598 PYDYAKGQGAWWRA-DYVFJYSZSA-N 354.479 4.527 0 50 FJAA COc1ccc(OC)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1191064 RQZPMOPTKJKLJS-XBXARRHUSA-N 352.217 4.663 0 50 FJAA COc1ccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 4859611 OVVDNOVAKMLMDA-DTQAZKPQSA-N 368.436 4.624 0 50 FJAA COc1cccc(-c2cn[nH]c2C2CCN(Cc3cccc(C)c3)CC2)c1 12242013 MCQHEUJBXLBVFE-UHFFFAOYSA-N 361.489 4.773 0 50 FJAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccccc2F)c1C 13331417 OJCSXUHNSDHKDX-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA O=C(C1CCCC1)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 15074255 AYILSPZKGHOJJO-FQEVSTJZSA-N 374.956 4.591 0 50 FJAA CC[C@@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccccc1 20617582 ADZOYAQHOMJELN-GFCCVEGCSA-N 367.396 4.535 0 50 FJAA C[C@H](CCn1cccn1)n1cnc(-c2ccccc2)c1-c1ccc(O)cc1 65366252 RNZPUKMIZFXJBB-QGZVFWFLSA-N 358.445 4.771 0 50 FJAA COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)O[C@@H]1CCCC[C@@H]21 103018980 YFFANTJXDLXGOI-WTBBCNCBSA-N 368.429 4.578 0 50 FJAA Cc1cc(-c2noc(CNc3ccc4c(c3)[C@@H](O)CC4(C)C)n2)ccc1F 253419657 QOEXTSXPZRCFPT-SFHVURJKSA-N 367.424 4.511 0 50 FJAA Cc1c(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)oc2c1C(=O)CCC2 329201855 BZIBUPGKZDGSIB-LLVKDONJSA-N 363.866 4.629 0 50 FJAA Cc1nc(C)c(-c2ccc(C(=O)N(C)[C@H](C)Cc3ccccn3)cc2)s1 426712591 GVGOMVQJVSJJJQ-CQSZACIVSA-N 365.502 4.525 0 50 FJAA C[C@H]1CN(c2ccc(N[C@@H](C)c3ccc(C(F)F)nc3)cc2)C[C@@H](C)O1 850459016 QPBUJSADOKSUNM-ZNMIVQPWSA-N 361.436 4.806 0 50 FJAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(-c4cccs4)cc3)C[C@H]2C1 2100534691 UEBJIGYWKJVEKT-FGYAAKKASA-N 368.546 4.606 0 50 FJAA CCC(=O)c1c(OCc2ccc(Cl)cc2)ccc2c(C)cc(=O)oc12 1139704 ADMPAKIGUIZLGP-UHFFFAOYSA-N 356.805 4.927 0 50 FJAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 2848214 LKMZMLCJHBPDNL-SNVBAGLBSA-N 373.758 4.773 0 50 FJAA COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 2986244 ROOQZVUPTHDXQZ-UHFFFAOYSA-N 370.301 4.665 0 50 FJAA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccc(C(F)(F)F)cc1 4625229 ZKDZEIIMVVZXKT-UHFFFAOYSA-N 373.256 4.853 0 50 FJAA CCN(Cc1ccncc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 6699195 HCLONBOSCFBXQV-NRFANRHFSA-N 362.498 4.964 0 50 FJAA CCc1cccc(C)c1NC(=O)c1nnn(-c2cccc(Cl)c2C)c1C 11692778 MJGRWUUJDSFMNJ-UHFFFAOYSA-N 368.868 4.661 0 50 FJAA CCC[C@@](O)(c1ccc(O)cc1)[C@@H](CN1CCCCC1)c1ccccc1 16490201 PHQMTFDPHUMHIK-XZOQPEGZSA-N 353.506 4.650 0 50 FJAA Fc1ccccc1OCCn1cnc(-c2ccccc2)c1-c1ccncc1 65463410 QIULXUKSESCOTP-UHFFFAOYSA-N 359.404 4.830 0 50 FJAA Cc1[nH]cnc1CN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71749372 LGQORFXWGJDKFR-INIZCTEOSA-N 351.416 4.582 0 50 FJAA c1ccc2sc([C@H]3CCCN3Cc3cncn3C3CCCC3)nc2c1 72146057 FUCZTQDFNIKTHX-GOSISDBHSA-N 352.507 4.945 0 50 FJAA CN(Cc1cccc(Cl)c1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101357948 YXXMRJCAUNTXNU-NRFANRHFSA-N 362.860 4.866 0 50 FJAA CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1 426397986 AXTKRMDRHPJQPC-SFHVURJKSA-N 373.880 4.744 0 50 FJAA C[C@@H](NCc1ccc(-c2cccnc2)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952980244 ORDPFOMJWUYMAY-ORXYBWQTSA-N 362.517 4.558 0 50 FJAA O=C(Nc1cccc(-c2ccncc2)c1)c1cccc([C@@H]2CCCOC2)c1 1875338866 OFLGYZZYBIOQRE-OAQYLSRUSA-N 358.441 4.895 0 50 FJAA Nc1c(C(=O)c2cc3ccccc3o2)oc2ccc(Br)cc12 1056078 YANYFFGKMBPKQS-UHFFFAOYSA-N 356.175 4.755 0 50 FJAA Cc1ccc(C)c(NC(=O)CSc2ccc(Br)cc2)c1 1144746 LKGDHFZTBGLLNA-UHFFFAOYSA-N 350.281 4.797 0 50 FJAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(C)c1 1233333 LTRDWGSVBGCJCI-UHFFFAOYSA-N 360.866 4.614 0 50 FJAA CCCc1cc([C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)no1 21719182 JBLIKDZPIBAISL-SFHVURJKSA-N 357.454 4.640 0 50 FJAA COc1ccc(CNCc2cnc(-c3ccccc3C)s2)c(F)c1F 65434103 XSCGPZHKWWWVIQ-UHFFFAOYSA-N 360.429 4.695 0 50 FJAA O[C@@H]1CCCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 72479300 GZTOGFYTAQAVOV-LJQANCHMSA-N 370.855 4.651 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3nc(C(C)C)no3)oc2c1C 77299459 GGUWPJWEUUAZOU-MRXNPFEDSA-N 367.449 4.842 0 50 FJAA Brc1ccc2c(c1)Cc1cc(I)ccc1-2 95935122 GWUPMAMGLLLLHO-UHFFFAOYSA-N 371.015 4.625 0 50 FJAA in-vitro Cn1nccc1[C@@H]1CCCCN1c1nc2cc(C(F)(F)F)ccc2s1 225578561 PTOBKPBFLNMQCB-AWEZNQCLSA-N 366.412 4.780 0 50 FJAA COc1ccc(C2=N[C@H](c3ccccc3OC)N3[C@@H]2[C@H]3c2ccccc2)cc1 257349956 SWLHDTSFXKGONJ-NSINPGJKSA-N 370.452 4.631 0 50 FJAA Cc1cc(-c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2)ccc1F 426716844 INAMTOGKJVKPDA-UHFFFAOYSA-N 367.464 4.834 0 50 FJAA CN(C)C1(Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)CCCC1 1857688752 ZCUSERFRGFTUAX-UHFFFAOYSA-N 354.885 4.626 0 50 FJAA O=C(Nc1cnc(F)c(Cl)c1)N1CCC[C@H]1c1cc(F)ccc1F 2325818631 OCTHGVQJCFLLNE-AWEZNQCLSA-N 355.747 4.521 0 50 FJAA O=C(Nc1cccc(C(=O)O)c1)Nc1cc(Cl)c(Cl)cc1Cl 641386 BHMIPYZRDQYTNQ-UHFFFAOYSA-N 359.596 4.989 0 50 FJAA O=C(Nc1nnc(C2CC2)s1)[C@H](Sc1ccccc1)c1ccccc1 1053468 VSDGQFVFXGYEBG-MRXNPFEDSA-N 367.499 4.888 0 50 FJAA Cc1ccc(CN2C(=O)S/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 1131827 SZEJSGVAAIKVFE-SXGWCWSVSA-N 359.834 4.591 0 50 FJAA COc1cccc2c1O[C@H](C(C)C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5614015 XVUKEUKQVQDVTF-FXAWDEMLSA-N 356.853 4.874 0 50 FJAA O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2ccccc2)CC1 20522535 LQMWCTWLTUCOFO-UHFFFAOYSA-N 370.905 4.513 0 50 FJAA O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(c2ccc(F)cc2)=NO1 20614152 BLLGWWUIFDMAOX-OAQYLSRUSA-N 360.388 4.624 0 50 FJAA Cn1cc([C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c2ccccc21 101112508 VMBMYWQHFKRSJD-LBPRGKRZSA-N 373.239 4.532 0 50 FJAA CCOc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C 154957524 QOLVHHFKNHQNPO-UHFFFAOYSA-N 373.815 4.624 0 50 FJAA C[C@](O)(c1cccc(C(F)(F)F)c1)c1nc(-c2cc3ccccc3o2)no1 253430752 NSIJQUDBCRJPMP-SFHVURJKSA-N 374.318 4.757 0 50 FJAA C[C@H](C[C@@H](O)c1cccs1)N[C@H](C)c1ccc(-c2ccncc2)cc1 763415958 SSOHJQTYAOZBLG-JXXFODFXSA-N 352.503 4.973 0 50 FJAA Cc1sc2nc(-c3cccnc3)nc(NCc3cccc(O)c3)c2c1C 1875253534 AVCIEWPDVGENQY-UHFFFAOYSA-N 362.458 4.688 0 50 FJAA Cc1nccn1Cc1ccc(NCc2ccc(C(F)(F)F)s2)cc1 2325745575 SVCCGIWECYMPNG-UHFFFAOYSA-N 351.397 4.932 0 50 FJAA O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1csc(Cl)n1 2325852395 CULOKQLKANZCKN-UHFFFAOYSA-N 357.818 4.982 0 50 FJAA CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@H](C)C2 652470 QWTHDOFHJOUJCY-XOVSCCBYSA-N 373.474 4.683 0 50 FJAA Cc1sc2ncn3nc([C@H]4C[C@H]4c4ccc(Cl)cc4)nc3c2c1C 2808328 LNLNUOCRIDFQKA-KBPBESRZSA-N 354.866 4.880 0 50 FJAA COc1ccc2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nc2c1 2859368 UQIUZLCHYJSMSX-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA Cc1ccc([C@@H]2C[C@H]2c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 5426619 KWTOVCPNYJHNIC-UONOGXRCSA-N 359.857 4.928 0 50 FJAA COc1ccc(COc2cc(Br)c(Cl)cc2OC)cc1 216625580 PEHDYNXDWANNKR-UHFFFAOYSA-N 357.631 4.699 0 50 FJAA OC[C@]1(Cc2ccccc2)[C@H]2[C@@H]3[C@H]4[C@H]5[C@H]6[C@H](CC[C@H]6[C@H]41)[C@H]1[C@@H]4CC[C@@H]2[C@@H]4[C@@H]3[C@@H]51 257358890 WZWKRYSKYLCXLZ-GMZBPBIVSA-N 372.552 4.504 0 50 FJAA O=C(c1cccs1)[C@@H]1CCCN(Cc2cc(CN3CCCC3)cs2)C1 828187311 INSAOIWBDLHVME-QGZVFWFLSA-N 374.575 4.500 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)c(C)c1 952981600 SOHNMLAGIXAIMD-UHFFFAOYSA-N 361.445 4.761 0 50 FJAA c1ccc(CN2CCC[C@@]3(CCCN(c4nccc5ccncc45)C3)C2)cc1 1529188709 AQRAWUKBLZCHOJ-XMMPIXPASA-N 372.516 4.512 0 50 FJAA O=C(Nc1c[nH]nc1-c1ccccc1F)c1csc(-c2ccsc2)n1 1875252608 NAAGLNCXGAWOAA-UHFFFAOYSA-N 370.434 4.653 0 50 FJAA Cn1cc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)c(-c2cccc(F)c2)n1 1875306939 QJVLYHNQCOGMHZ-SIKLNZKXSA-N 363.480 4.900 0 50 FJAA COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc1 623352 HNNUUHMHNZXBMZ-UHFFFAOYSA-N 357.413 4.571 0 50 FJAA CC(=O)c1ccc(NC(=O)c2cc(Br)c(C)c(C)c2C)cc1 1018963 AKAIUMQDNVKQEY-UHFFFAOYSA-N 360.251 4.829 0 50 FJAA CCOC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(Cl)cc1 1123397 IDZSJDCUWZKTGP-UHFFFAOYSA-N 363.866 4.504 0 50 FJAA C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 1129143 LGRVTQRSFAJKGX-CYBMUJFWSA-N 358.279 4.819 0 50 FJAA Cc1ccccc1Cn1ccc(NC(=O)c2ccc(Cl)cc2Cl)n1 2767023 XJBXWASDIYAJBD-UHFFFAOYSA-N 360.244 4.799 0 50 FJAA COc1cccc(-c2csc(-c3cc4cccc(OC)c4oc3=O)n2)c1 2883534 PQPWIMZYJFEKAX-UHFFFAOYSA-N 365.410 4.601 0 50 FJAA O=C(C[C@H]1Nc2cccc3cccc(c23)N=C1O)Nc1ccccc1Cl 2889944 RZSRYBRCIUQRMA-QGZVFWFLSA-N 365.820 4.904 0 50 FJAA Cc1c(Cl)cccc1NC(=O)CCc1ccccc1Br 4542940 GDENWKPSMWSSCY-UHFFFAOYSA-N 352.659 4.982 0 50 FJAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2ccccc2)cc1 4682195 NOAXFPQYEIRKNK-UHFFFAOYSA-N 370.452 4.842 0 50 FJAA CN(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 4749722 VLNZWDWIBJJYSY-UHFFFAOYSA-N 369.515 4.607 0 50 FJAA O=C1c2ccccc2-c2ccc(I)c3cccc1c23 4829375 XDYOJKMJYJWYTA-UHFFFAOYSA-N 356.162 4.656 0 50 FJAA CCc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(F)c3)C2)o1 12151554 QLCWYYZANVGWCT-MRXNPFEDSA-N 353.441 4.751 0 50 FJAA CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)cc1 12445853 OYCLCSSXWKRZFW-DEOSSOPVSA-N 370.500 4.910 0 50 FJAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NCc2ccc(O)cc2)C1 12592620 LZKJQCKRGUXTTB-FQEVSTJZSA-N 365.452 4.520 0 50 FJAA CCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13330021 JVCGQUWQLUJQMA-LLVKDONJSA-N 358.290 4.595 0 50 FJAA CCCCc1nc(-c2c(-c3ccccc3)ncn2Cc2ccncc2)c[nH]1 65404847 QCQJUKCLGZPGIF-UHFFFAOYSA-N 357.461 4.726 0 50 FJAA CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2cc[nH]c2n1 170593213 SEZOOCBETIJFOR-UHFFFAOYSA-N 363.339 4.623 0 50 FJAA C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3noc4c3CCCC4)c2)C1 170598120 SSJYDXWUSXTEBX-YJBOKZPZSA-N 368.477 4.901 0 50 FJAA COc1ccc([C@H]2CC(c3ccsc3)=NN2C(C)=O)c2ccccc12 170615660 WVTOISBAZKIOGD-LJQANCHMSA-N 350.443 4.608 0 50 FJAA CCCc1ccccc1NC(=O)c1cnc(Cl)c(Br)c1 253393842 VLOJAICVYYXVHK-UHFFFAOYSA-N 353.647 4.702 0 50 FJAA CN(C)c1ccc(Cl)cc1NC(=O)c1ccc([C@@H]2CCCO2)s1 952980606 RGMMYEDILJIQDT-AWEZNQCLSA-N 350.871 4.571 0 50 FJAA C[C@H](Cc1ccncc1)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 2325744007 MMOSPKZOOGFTRH-OLTDTTLLSA-N 374.528 4.667 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)NCCCn1ccnc1CCC 2325863200 ZWWUCOIWEAOZJI-UHFFFAOYSA-N 367.493 4.745 0 50 FJAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 669223 FBLPFXARKXZVCO-NSHDSACASA-N 368.658 4.817 0 50 FJAA CSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 1191335 LFCNEMUJWOPFGR-GOSISDBHSA-N 364.474 4.887 0 50 FJAA CC(C)(C)C(=O)CSc1nnc(SCc2ccc(F)cc2)s1 1296468 WQXXNZQTVBFNBT-UHFFFAOYSA-N 356.513 4.677 0 50 FJAA Cc1ccc([C@@H](CC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)o1 2283021 HOEUOCRBBPARBO-HXUWFJFHSA-N 372.417 4.515 0 50 FJAA CC1CCN(CCCCOc2ccc(Br)cc2Cl)CC1 2957204 XTXKKNDBBJSVMZ-UHFFFAOYSA-N 360.723 4.993 0 50 FJAA CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cs1 11956632 VBTRCPADIDDPCZ-MRXNPFEDSA-N 361.894 4.699 0 50 FJAA Cc1ccc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)o1 20500593 FXUYCMFUZKUCJX-UHFFFAOYSA-N 373.456 4.783 0 50 FJAA CC(C)n1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3ccccc3n2)cn1 63881803 MAVPSSJWKGCDLT-UHFFFAOYSA-N 362.477 4.551 0 50 FJAA CCOCCn1cnc(-c2ccccc2)c1-c1ccc2c(C)cc(=O)oc2c1 65404088 BGTANKHXNKUUMC-UHFFFAOYSA-N 374.440 4.668 0 50 FJAA C[C@H](c1ccccc1)N1CC[C@@H](NCCCc2nc3ccccc3s2)C1 222097337 URMDPOGBOZJLMH-IEBWSBKVSA-N 365.546 4.654 0 50 FJAA Cc1cc(CN[C@H](C)[C@@H](O)c2ccc(F)cc2)ccc1Oc1cccnc1 237407732 NYLARHZLRLZIHR-OPAMFIHVSA-N 366.436 4.533 0 50 FJAA CC1(C)CCC[C@@]2(C)[C@H](CCOC(=O)Nc3ccccc3)[C@](C)(O)CC[C@H]12 239433073 XEMYEKIWQRPWRD-IYRWYFENSA-N 373.537 5.619 0 50 FJAA CNC(=O)[C@@H]1CCCc2sc(C=Cc3csc(C(F)(F)F)c3)nc21 1857527349 PDFZYFJHLCJHPR-SNVBAGLBSA-N 372.437 4.560 0 50 FJAA Cc1cc(=O)c(-c2noc(C=C[C@@]3(C)CC[C@H](C)C3(C)C)n2)c2n1CCC2 1857532176 OHWVULYMJWRDKJ-RCDICMHDSA-N 367.493 4.629 0 50 FJAA CC(C)(C)c1ccc(CN2CCOC[C@H]2C[C@@H]2CNc3ccccc32)cc1 1875344918 QHBYWMOCDGWBMK-TZIWHRDSSA-N 364.533 4.784 0 50 FJAA COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 622625 HBMMLXIAYYIKHO-SNVBAGLBSA-N 363.866 4.565 0 50 FJAA O=C(OCc1ccc(Br)cc1)c1cc2ccccc2cc1O 992918 FGSKTUROBTWGJD-UHFFFAOYSA-N 357.203 4.665 0 50 FJAA O=C(CSCC(=O)c1ccc(F)cc1)Nc1ccc2ccccc2c1 1069620 UIBSJDGHBLIGIA-UHFFFAOYSA-N 353.418 4.534 0 50 FJAA Cc1ccc(CNC(=O)C2CCN(Cc3cccc4ccccc34)CC2)cc1 1179508 KNWZWAHQFWXQCQ-UHFFFAOYSA-N 372.512 4.677 0 50 FJAA Cc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)cc1 1228360 LXHZIJNKBWNVMH-UHFFFAOYSA-N 365.380 4.766 0 50 FJAA O=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1c(Cl)cccc1Cl 1397712 QGQKVIFHTRYKRH-NSHDSACASA-N 353.636 4.655 0 50 FJAA COc1cc2c(cc1NC(=O)C(Cl)(Cl)Cl)oc1ccccc12 4722106 ADADJLAAKHLEMF-UHFFFAOYSA-N 358.608 4.903 0 50 FJAA Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3C)cs2)cc1 4924427 UFWPSDVOWFCVJF-UHFFFAOYSA-N 368.487 4.799 0 50 FJAA COc1ccc(-c2cc(-c3sc4nc(C)cc(C)c4c3N)on2)cc1 6659375 QIRIHBUNQYGKDM-UHFFFAOYSA-N 351.431 4.826 0 50 FJAA CC(=O)c1c(NCCc2ccccc2)nc(=S)n(-c2ccccc2)c1C 13572516 JWWFQTAVDMLEAT-UHFFFAOYSA-N 363.486 4.767 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)no1 29242352 OGHOEJIKJICRSZ-MRXNPFEDSA-N 356.809 4.874 0 50 FJAA COc1cc(CN(Cc2cccnc2)C2CCCCCC2)cc(OC)c1O 55310728 POKDIVCQQHYNAT-UHFFFAOYSA-N 370.493 4.529 0 50 FJAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 97572093 HDBCUUYPOGAHLU-UXHICEINSA-N 369.896 4.707 0 50 FJAA O=C(Nc1cnn(-c2ccccc2F)c1)c1ccccc1SC(F)F 156694718 SEXWOEKMPQKKRM-UHFFFAOYSA-N 363.364 4.578 0 50 FJAA CON(C)C(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1 169794164 OUXUZOJXPBBCPZ-UHFFFAOYSA-N 361.562 4.693 0 50 FJAA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 239164903 NDHOPVCXDQDCPC-NTMFSWBNSA-N 357.497 5.072 0 50 FJAA Cc1nc(C)c(C(=O)Nc2ccnc3ccc(Oc4ccccc4)cc23)o1 253425039 AJHKJRNPTVPQIB-UHFFFAOYSA-N 359.385 4.884 0 50 FJAA Fc1ccc([C@@H]2CCN(Cc3cc(CN4CCCCC4)cs3)C2)cc1 670454139 SQULYKVRMGSYOS-LJQANCHMSA-N 358.526 4.863 0 50 FJAA CCc1nnc(NC(=O)CC2(n3cccc3)CCC(C(C)(C)C)CC2)s1 888103844 CYHGYNFVKZVOAT-UHFFFAOYSA-N 374.554 4.862 0 50 FJAA O=C(Nc1cnn(CC2CC2)c1)[C@@H](CCc1ccccc1)c1ccccc1 1875338241 QNBCAUQOFWXFDI-QFIPXVFZSA-N 359.473 4.648 0 50 FJAA O=C1c2c(c3ccccc3n2Cc2ccccc2)CCN1c1ccccc1 754082 ZGOMTAVZEGLEKV-UHFFFAOYSA-N 352.437 4.893 0 50 FJAA biogenic CCSc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 799293 ATEIXTPERUSVNA-UHFFFAOYSA-N 355.897 4.771 0 50 FJAA CC(C)c1ccc(OCC(=O)N(C)c2ccccc2)c(Br)c1 1144930 SRUMDAZHZCUFIE-UHFFFAOYSA-N 362.267 4.614 0 50 FJAA Cc1ccc(-n2nnnc2SCc2ccc(C(C)(C)C)cc2)cc1C 1153183 VJTHJPQGZQXBIO-UHFFFAOYSA-N 352.507 4.869 0 50 FJAA COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 2907472 LTPVBHIZWSUYGL-UHFFFAOYSA-N 361.441 4.741 0 50 FJAA CC(=O)Oc1cccc2ccc(/C=C/c3cc4c(cc3Cl)OCO4)nc12 5102237 BJPGYSCAANWDHM-SOFGYWHQSA-N 367.788 4.713 0 50 FJAA COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1 40977335 FVRYPYDPKSZGNS-UHFFFAOYSA-N 352.397 4.620 0 50 FJAA in-vitro CCO[C@H]1COC[C@@H]1n1cnc(-c2ccccc2)c1-c1ccc(C)cc1F 65534546 JIWARDQALUCYRZ-PMACEKPBSA-N 366.436 4.641 0 50 FJAA CC(=O)C1(c2ccccc2)CCN(Cc2cncn2C2CCCCC2)CC1 72163313 GAFVVBSEDCQWQE-UHFFFAOYSA-N 365.521 4.511 0 50 FJAA O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1coc(C2CCC2)n1 194026354 ROQSUTCCFAVKGR-UHFFFAOYSA-N 353.353 4.521 0 50 FJAA CN(Cc1ccc2ccccc2n1)Cc1ccc(CN2CCCC2)s1 215561674 YULARZOQAAAGAR-UHFFFAOYSA-N 351.519 4.524 0 50 FJAA O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Oc2ccc(F)cc2F)cc1 225383918 BRQHQZCSUJUCDR-UHFFFAOYSA-N 365.339 4.886 0 50 FJAA C[C@H](Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239434082 YYVZRCWKGPBHRM-QWRJVSGHSA-N 362.517 5.095 0 50 FJAA Cc1sc2nc(-c3cccnc3)nc(N[C@@H](C)c3cccnc3)c2c1C 1875264402 NNFRCFQYQPTTAG-ZDUSSCGKSA-N 361.474 4.938 0 50 FJAA O=C(OCCCCOCc1ccccc1)c1cnn(C2CCCCC2)c1 1875357854 ZDFKLTRKHXWOIL-UHFFFAOYSA-N 356.466 4.542 0 50 FJAA CCCCc1csc(C(=O)Nc2ccc(Oc3ccncc3)cc2)n1 2325722617 BZBXIPGDGCLEAD-UHFFFAOYSA-N 353.447 4.925 0 50 FJAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(OC(C)C)cc1 676273 JFEIJKMVNHERRN-UHFFFAOYSA-N 361.463 4.698 0 50 FJAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 1143825 VCLSMSZSHYBJDN-KRWDZBQOSA-N 358.441 4.738 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2669799 LHAIPNVWTLZRFI-UHFFFAOYSA-N 372.877 4.713 0 50 FJAA Cc1ccc(C)c(NC(=S)Nc2cnn(Cc3ccccc3C)c2)c1 2793761 HBGJUILREKIHIH-UHFFFAOYSA-N 350.491 4.666 0 50 FJAA CCCCC(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1OC 4869062 PCVDYKRSYDKCOF-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA O=C(NC[C@@H]1CCCN(Cc2ccoc2)C1)c1ccc(-c2ccccc2)cc1 11817955 SRDWQUPMKLKIEU-IBGZPJMESA-N 374.484 4.589 0 50 FJAA COc1cccc([C@H](C)N(C)Cc2cn(C)nc2-c2cccc(Cl)c2)c1 12297828 HFDACSASWWRGKT-HNNXBMFYSA-N 369.896 4.942 0 50 FJAA C[C@@H](c1ccon1)N(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12301771 KHAXBWDAURYEBN-INIZCTEOSA-N 358.445 4.925 0 50 FJAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C2CCC2)CC1 12430263 VNKOAKZSRZKMAI-UHFFFAOYSA-N 368.452 4.821 0 50 FJAA O=C(CCSc1ccccc1)NCCSCc1cccc(Cl)c1 14186007 KCIDNGKZEFPZKH-UHFFFAOYSA-N 365.951 4.872 0 50 FJAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1cccs1)C2 67973701 PNKOTHGKRJSDNP-UHFFFAOYSA-N 372.877 4.564 0 50 FJAA CCN(CCOC)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 72481200 DRUXLQLQGXTRNR-UHFFFAOYSA-N 363.505 4.624 0 50 FJAA CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 77380419 IXZZFYADSCVYAW-QGZVFWFLSA-N 357.523 4.511 0 50 FJAA CC(C)N(CCCCO)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 118114414 PKBSUZWFQXNCSI-UHFFFAOYSA-N 361.489 4.798 0 50 FJAA in-vitro CC(C)CC[C@H](N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccoc1 252549442 RFIHHSWCFBYHHU-QIJUGHKUSA-N 355.526 4.652 0 50 FJAA CC1=CCC[C@](C)(O)C=C[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 254091655 AVRRAMZPNSQDIW-URVUXULASA-N 358.478 4.627 0 50 FJAA COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1OC 639438 KGZMQKDKKYHDFN-UHFFFAOYSA-N 360.457 4.729 0 50 FJAA CC(C)(c1ccccc1)c1ccc(OCC(=O)NCc2ccccc2)cc1 943697 PWXGXSMTAWXENE-UHFFFAOYSA-N 359.469 4.708 0 50 FJAA CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1 947460 LOMUCNCTUZTIFQ-YRNVUSSQSA-N 360.251 4.808 0 50 FJAA COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1140239 NRFOJHKQWOMCOM-UHFFFAOYSA-N 357.759 4.939 0 50 FJAA Cc1nc2ccccc2nc(C)c1=NOCc1c(Cl)cccc1Cl 1429016 HENMNBSYAZCIKV-UHFFFAOYSA-N 360.244 4.586 0 50 FJAA O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1OCCc2ccccc21 2292865 ROTGDAZFYDBTRJ-DEOSSOPVSA-N 371.480 4.639 0 50 FJAA CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccc(F)cc3F)n2)cc1 2799135 MWDFVDSEGBCFQG-UHFFFAOYSA-N 371.387 4.574 0 50 FJAA CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 6401029 FSFPSVLLLQFOOM-UHFFFAOYSA-N 364.681 4.862 0 50 FJAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc12 9227076 FEKSIRMJDJGQJD-UHFFFAOYSA-N 358.401 4.554 0 50 FJAA CC[C@@H](NC(=O)c1cc(Cc2ccccc2Cl)no1)c1cccs1 11782325 BYODYJNKCNGDJN-OAHLLOKOSA-N 360.866 4.861 0 50 FJAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1cc(Cc2ccccc2)no1 11783963 QYQSZNGBUWGDLU-XMMPIXPASA-N 374.484 4.705 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C2CC3CC(C2)CC1C3 13331184 FNOULSJQTZYNSF-UHFFFAOYSA-N 370.880 4.858 0 50 FJAA c1ccc2[nH]c(SCc3csc(-c4ccc5c(c4)OCO5)n3)nc2c1 17075447 ROTQTJVCOLLEQM-UHFFFAOYSA-N 367.455 4.707 0 50 FJAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cc(-c3ccccn3)no2)C1 92077305 CQHUERVTZNWLGT-NRFANRHFSA-N 353.466 4.612 0 50 FJAA CNc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 238855463 RYAUVHCJGWASCQ-UKIBZPOASA-N 356.897 5.180 0 50 FJAA COc1ccc(-c2nc(=Nc3ccccc3)sn2-c2ccccc2)cc1 254822707 VLXHXUIVBOJLGD-UHFFFAOYSA-N 359.454 4.842 0 50 FJAA OC[C@@]1(Cc2ccccc2)[C@@H]2[C@@H]3CC[C@H]4[C@@H]3[C@H]3[C@H]5[C@@H]4[C@@H]4CC[C@@H]6[C@@H]4[C@H]5[C@H]([C@@H]32)[C@@H]61 257358889 WZWKRYSKYLCXLZ-BAZIBCACSA-N 372.552 4.504 0 50 FJAA Cc1cnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1-c1ccccc1 331845247 QCUSNGUJAXHMJA-CABCVRRESA-N 363.383 4.759 0 50 FJAA Cc1cccc(Cl)c1C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 857496144 MFTKQHGWHMSSSJ-HNNXBMFYSA-N 372.679 4.809 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC(c2nc(C(C)C)no2)CC1 1529126058 SDYGRGMUIRCVAE-UHFFFAOYSA-N 372.494 4.598 0 50 FJAA Cc1cc(I)ccc1NC(=O)c1cccc(Cl)c1 940145 HITVYPILRIPPRM-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA Cc1ccc(-n2ncc3c(NCc4ccccc4Cl)ncnc32)c(C)c1 1142562 OZZUAGAJDMEJNF-UHFFFAOYSA-N 363.852 4.698 0 50 FJAA Fc1ccc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)cc1 1153588 LCYYLTFXNIOIOE-UHFFFAOYSA-N 368.477 4.631 0 50 FJAA CCOc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1174940 NRAZCABPQHKIRE-UHFFFAOYSA-N 356.491 4.510 0 50 FJAA CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccnc1 2415412 MOELOLORCAQMQB-UHFFFAOYSA-N 365.289 4.959 0 50 FJAA CCCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 2854101 SKVGQXGKBMPFLN-QGZVFWFLSA-N 352.478 4.566 0 50 FJAA COc1cc(C=O)ccc1OCCCOc1ccc(Cl)cc1Cl 2985832 IXQRHQNRKKVZDU-UHFFFAOYSA-N 355.217 4.662 0 50 FJAA COc1ccccc1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O 3912906 NLLMAGIYSZMOGR-FOCLMDBBSA-N 354.409 4.565 0 50 FJAA C[C@@H](NC(=S)N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 4182724 HVQDMPZQMJIZFH-NOCBQHASSA-N 354.563 4.524 0 50 FJAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4866608 LEFKXNCNBNDCJX-BJOHPYRUSA-N 371.742 4.526 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1 11815572 NADVLCCDJWSBTB-QGZVFWFLSA-N 373.543 4.768 0 50 FJAA CSc1ccccc1C(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C 12197124 KKEVFAMPWSTUGU-HNNXBMFYSA-N 365.502 4.702 0 50 FJAA Cc1cc(C)c2nc(-c3cnn(C(C)C)c3)cc(C(=O)N(C)C(C)C)c2c1 63835520 JPCUEDRVQWOIQV-UHFFFAOYSA-N 364.493 4.776 0 50 FJAA CCCC[C@@H]1C=CCN1C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 95530899 GZYODRQBYMTGOK-HXUWFJFHSA-N 369.509 4.521 0 50 FJAA Cc1ccc(CNCc2ccc([S@](C)=O)cc2)c(Oc2ccccc2)c1 153105329 OBGBPVCUWTUPDO-AREMUKBSSA-N 365.498 4.815 0 50 FJAA COC(=O)Nc1ccc(N[C@H](C)c2ncc(-c3ccccc3)o2)cc1F 181079007 HJTSJHQOMZNGBH-GFCCVEGCSA-N 355.369 4.832 0 50 FJAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 187503890 FIVXCSPXVCNRIO-MRXNPFEDSA-N 367.493 4.649 0 50 FJAA C[C@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 242001110 VDAIFANXYRXOQG-SBUREZEXSA-N 358.485 4.636 0 50 FJAA Cc1noc(C2CC2)c1NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1 365238659 VLXYLZNJQOTNBT-UHFFFAOYSA-N 370.840 4.516 0 50 FJAA Fc1cccc(Cl)c1COc1cccc(CN2CCSCC2)c1 826621867 VZBPZTUZNGIVDA-UHFFFAOYSA-N 351.874 4.607 0 50 FJAA C[C@H](NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(C(F)F)nc1 850555669 MACJAWBGICEBPV-VFZGTOFNSA-N 361.219 4.710 0 50 FJAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@H](C)C2(CCCCC2)C1 857485336 BJQSPHJSXSESMD-AWEZNQCLSA-N 351.922 4.629 0 50 FJAA CCC[C@H](NC1CN(C(=O)C2CC2)C1)c1ccc(Oc2ccccc2)cc1 2325822409 VXJUZKUAHGCTRS-QFIPXVFZSA-N 364.489 4.531 0 50 FJAA CCC(=O)N1CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc21 2325824213 UNYRXRJIANAGMH-UHFFFAOYSA-N 367.449 4.992 0 50 FJAA c1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 628753 PJZUOAIXMORWKX-UHFFFAOYSA-N 372.497 4.685 0 50 FJAA COC(=O)c1sccc1NC(=O)c1sc2ccccc2c1Cl 759473 FMCBYADCCGCMTF-UHFFFAOYSA-N 351.836 4.655 0 50 FJAA CCOC(=O)c1cc(CC)sc1NC(=O)Nc1cccc(Cl)c1 1117277 ROTBCJNWPQNGPA-UHFFFAOYSA-N 352.843 4.785 0 50 FJAA CCOC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CCCC2 1123691 HBQCKFQEPIINNM-UHFFFAOYSA-N 374.531 4.921 0 50 FJAA CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 1134326 XWDFDAWPKPLAIX-UHFFFAOYSA-N 360.413 4.590 0 50 FJAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(N(C)C)cc2)c2ccccc2)cc1 1164193 POHFIESGKUHUAE-QHCPKHFHSA-N 373.452 4.842 0 50 FJAA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl 2695831 UMVPZTCBOKRQMN-NSHDSACASA-N 354.233 4.716 0 50 FJAA CC(=O)c1sc(N2N=C(c3cccs3)C[C@H]2c2ccco2)nc1C 4565053 UPLVGYWZPKKOBQ-ZDUSSCGKSA-N 357.460 4.664 0 50 FJAA CC(C)n1cc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 11817462 GOMVIPVQOMUEJJ-HXUWFJFHSA-N 367.537 4.856 0 50 FJAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 12191938 UTKRXVLAJDCBIT-HNNXBMFYSA-N 364.272 4.794 0 50 FJAA CSC[C@@H](C)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1 12385833 VZZRQVYHPTUWFU-CQSZACIVSA-N 354.947 4.522 0 50 FJAA CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1 13786033 VDOHPCAQFNNDNS-KNQAVFIVSA-N 360.413 4.921 0 50 FJAA COc1cc(-c2cccs2)cc2c1OCCN(C(=O)C1CCCCC1)C2 15000003 GFBUOSSXVYQYBM-UHFFFAOYSA-N 371.502 4.725 0 50 FJAA COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 20551122 NLGMFPMJFQXPDY-MRXNPFEDSA-N 361.441 4.862 0 50 FJAA Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)cc1 36621159 MBOUFIKKKIYTTH-LJQANCHMSA-N 350.393 4.766 0 50 FJAA Cc1nc(-c2ccccc2)c(C(=O)N(C)Cc2cccc3cnccc23)s1 77422459 BLJBKLBGUWUVCR-UHFFFAOYSA-N 373.481 4.939 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3CC[C@H](c4ccccc4F)C3)c(C)c2c1 91745638 DZWJEZXHMKQDGG-INIZCTEOSA-N 350.437 4.862 0 50 FJAA O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95353136 NFJGFLYMLWDLKB-MRXNPFEDSA-N 372.900 4.748 0 50 FJAA Cc1cc(O)ccc1C(=O)N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1 134378598 HBKLMYOGPJAFIQ-CQSZACIVSA-N 366.392 4.518 0 50 FJAA Cc1nc(C(F)(F)F)c(CN2CCC[C@@H]2COc2ccccc2)s1 170595219 TXLNSVZZYFIOQY-CYBMUJFWSA-N 356.413 4.514 0 50 FJAA Cc1c(C2CCCCC2)noc1NS(=O)(=O)c1ccc(Cl)s1 225394514 ZFVQYCNXKDEQTA-UHFFFAOYSA-N 360.888 4.546 0 50 FJAA CSc1ccc(-c2cccc(C(=O)N3CCC[C@H](C(C)(C)O)C3)c2)cc1 299755380 AYSOWKMVPASVOG-IBGZPJMESA-N 369.530 4.699 0 50 FJAA Cc1ccc(CN(C(=O)NCc2cccn2C)[C@H]2CCc3ccccc32)cc1 466971536 SCWFQVPQNOYALU-QHCPKHFHSA-N 373.500 4.733 0 50 FJAA O=C(OCc1cccnc1)c1ccc(COc2ccc3ccccc3c2)o1 912691677 RCEWGCKXOTXDLE-UHFFFAOYSA-N 359.381 4.764 0 50 FJAA O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 825882 YDIRZITYHNWFRQ-AWEZNQCLSA-N 373.667 4.721 0 50 FJAA COCc1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl 1071968 KMTIRJCQESFJNL-UHFFFAOYSA-N 351.233 4.569 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 1115448 YTLVYFMKCVYFBV-XBXARRHUSA-N 352.217 4.663 0 50 FJAA CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C(C)C 1116859 WWXCAZMJASYPBY-UHFFFAOYSA-N 351.855 4.840 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 1218462 LKOLKWCUJTVXBG-UHFFFAOYSA-N 359.731 4.890 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c(C)c1 2843877 DMRREJQDRBXVJW-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA O=C(CSc1nc2ccccc2s1)Nc1ccccc1OC(F)F 3270997 WZLGACYHALRKDL-UHFFFAOYSA-N 366.414 4.629 0 50 FJAA CCC(=O)Oc1cc2oc(CC)c(-c3nc(C)cs3)c(=O)c2cc1CC 4029729 NSKTVFUKENAYFD-UHFFFAOYSA-N 371.458 4.665 0 50 FJAA biogenic C[C@@H](NC(=S)NCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4693939 YKHYQRJFDYERMM-SFAMEIPESA-N 362.970 4.909 0 50 FJAA O=C(Cc1ccsc1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 12450480 AJZCJJSTOJQLBC-UHFFFAOYSA-N 355.503 4.661 0 50 FJAA O=C(Nc1ccc2c(c1)CN(C1CCCC1)CC2)C1(c2ccccc2)CC1 12458264 YMXNZFWWFLDEAM-UHFFFAOYSA-N 360.501 4.658 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1 14966008 KOWUBILLUPXTLM-SFHVURJKSA-N 357.519 4.720 0 50 FJAA CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 16361792 WVMVYUWKZYGWGR-CVEARBPZSA-N 365.452 4.742 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CCCC[C@@H]1c1cccnc1 72174182 IVUIDRSZZBYMTP-OAHLLOKOSA-N 355.488 4.634 0 50 FJAA COC[C@@H]1CCN(Cc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)C1 72431028 ZHXYFHYZEXZOAS-QGZVFWFLSA-N 364.464 4.818 0 50 FJAA COc1ccc(N[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cn1 123809706 KHQYEWWWWFRNNA-VIFPVBQESA-N 365.220 4.620 0 50 FJAA CN(Cc1ccc2ncccc2c1)Cc1c(F)c(F)c(F)c(F)c1F 215002137 NKOBNUCACGDQAW-UHFFFAOYSA-N 352.306 4.562 0 50 FJAA C[C@H]1CCN(C)c2ccccc2N1Cc1cc(F)ccc1Br 1459671791 VRBYWRTUODGUIO-ZDUSSCGKSA-N 363.274 4.823 0 50 FJAA Clc1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1 1034746 LRFGGDVOFSSHGO-UHFFFAOYSA-N 355.894 4.790 0 50 FJAA aggregator COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1 1069106 XDYSAKLUNSNZRI-OFNKIYASSA-N 357.409 4.670 0 50 FJAA O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCCC1 1132073 YLQZLOGZWOVMDU-NTCAYCPXSA-N 366.436 4.540 0 50 FJAA Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2Cl)c1 1184951 PGOQHUNCJWYPRM-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA O=C(CSc1ccccn1)Nc1nc(-c2ccc(Cl)cc2)cs1 6715302 JMUVYLSLMVXWPB-UHFFFAOYSA-N 361.879 4.589 0 50 FJAA CCCCN(Cc1ccccc1)Cc1nc(Cc2ccccc2F)no1 12835690 BLWQYKKYTAPBKA-UHFFFAOYSA-N 353.441 4.602 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2nc(C(C)C)cs2)cc1Cl 55360749 OMASJWZNVPAUIX-UHFFFAOYSA-N 351.859 4.521 0 50 FJAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)Cc3cccnc3)cc12 71775715 SSAXIMKBZGJHCC-UHFFFAOYSA-N 373.431 4.536 0 50 FJAA Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)C(F)F 253430750 XPYMFYCBAOAPPA-UHFFFAOYSA-N 361.367 4.935 0 50 FJAA CC(C)c1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 470658130 XBIFOFYBHCIYNX-QFIPXVFZSA-N 350.506 4.547 0 50 FJAA C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1OC(F)F 481594022 DAFHVOXHYKWNMM-JTQLQIEISA-N 364.779 4.914 0 50 FJAA CC(=O)O[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@]1(C)C3 504787699 CSADACRWWVVNQF-YITCQCNYSA-N 362.510 4.806 0 50 FJAA biogenic CNC(=O)c1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)ccc1Cl 534657127 FLWSYGJWPRNHDQ-UHFFFAOYSA-N 372.896 4.626 0 50 FJAA CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1c[nH]nc1-c1ccc(F)cc1 823702968 UUSPINUYYLZQMS-LJQANCHMSA-N 369.440 4.682 0 50 FJAA COc1ccccc1C1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 824810176 LUUCOLXTXISTQG-NRFANRHFSA-N 355.478 4.909 0 50 FJAA CCCCSCCc1nc([C@@H]2CCCO2)nn1-c1cc(C)cc(C)c1 1875349015 KFYSRDLTNAIWCR-SFHVURJKSA-N 359.539 4.811 0 50 FJAA O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)cc1 820216 UILADTPXOCBVEM-UHFFFAOYSA-N 371.845 4.514 0 50 FJAA CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 854699 CYKDNAGHIVBDDI-UHFFFAOYSA-N 369.808 4.514 0 50 FJAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2cccc(C)c2)cc1 1078881 BPYKHCVYVCIMDN-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA COc1ccc(OCc2nc3ccccc3n2Cc2ccccc2F)cc1 1130641 SVQCGARLNBTNMM-UHFFFAOYSA-N 362.404 4.811 0 50 FJAA Cc1cc(NC(=O)CCSc2ccccc2)ccc1Br 1173174 XAUJNQXMCXCIEB-UHFFFAOYSA-N 350.281 4.878 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 1200205 FFPXKJKTBWMUBF-UHFFFAOYSA-N 363.866 4.709 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)C(O)(c1ccccc1)c1ccccc1 1516898 LUFFETONOOVPRG-UHFFFAOYSA-N 371.358 4.580 0 50 FJAA CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1 2854067 CSELJHAYWAHAPR-UHFFFAOYSA-N 358.401 4.568 0 50 FJAA COc1ccc(-n2c(/C=C/c3ccccc3F)nc3ccccc3c2=O)cc1 4557603 CJKATFZZSQVIHB-XNTDXEJSSA-N 372.399 4.704 0 50 FJAA CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 4828681 CMEFXNFVOHZZBZ-UHFFFAOYSA-N 365.260 4.632 0 50 FJAA COc1ccc(N(C)C(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 5050582 BOIKHSCACXYBGD-UHFFFAOYSA-N 351.427 4.593 0 50 FJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2c(C)cccc2C)c1 10287509 JYGWBRZSGIKITR-UHFFFAOYSA-N 374.868 4.713 0 50 FJAA COCc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)s1 15062062 IIQFVNIOJBOEPV-GOSISDBHSA-N 372.534 4.735 0 50 FJAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1C(F)(F)F 46501507 DNLKICBXSXJGKV-HNNXBMFYSA-N 365.351 4.516 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1 64985072 AEUVPHLJMUXZKG-HNNXBMFYSA-N 351.809 4.960 0 50 FJAA C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)c1)N(C)C 67818542 NKCYESCIAKIYBE-KRWDZBQOSA-N 371.488 4.611 0 50 FJAA FC(F)(F)[C@H]1CN(c2cc(-c3ccccc3)nc3ccccc23)CCO1 71524024 ONMWFAVBLFJSQS-LJQANCHMSA-N 358.363 4.669 0 50 FJAA CC(C)c1nc2ccc(NC(=O)N3CCO[C@@H](c4ccco4)C3)cc2s1 123222712 RKTHQHVXSIRVLX-MRXNPFEDSA-N 371.462 4.618 0 50 FJAA C[C@H](Nc1ccc(NC(=O)c2cnsn2)cc1Cl)c1ccccc1 170594347 XXCOCRGUJOKSLT-NSHDSACASA-N 358.854 4.617 0 50 FJAA CCc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3cnc4ccccc4n3)C2)cc1 225512067 PKQWKTKQIDMZSB-QFIPXVFZSA-N 372.472 4.526 0 50 FJAA Cc1cc(-c2ccc(C(=O)N3CCC[C@@](C)(O)CC3)cc2)c2ccccc2n1 426360136 JWXIITACRPASKM-XMMPIXPASA-N 374.484 4.587 0 50 FJAA CCC[C@H]1CCCN1C(=O)c1ccc(-c2ccc(N(C)C(C)=O)cc2)cc1 426574966 DYEUEIVEHBHLCI-QFIPXVFZSA-N 364.489 4.741 0 50 FJAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(Sc3ccccc3C)CC2)c1C 1506421720 UODYVQAUUPKNTD-UHFFFAOYSA-N 370.518 4.539 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H](C2(C(F)(F)F)N=N2)C1 1875356229 LFWGNNCXGYBHJE-QGZVFWFLSA-N 373.378 4.930 0 50 FJAA c1ccc(C2=NN3[C@H](c4ccc5c(c4)OCO5)Oc4ccccc4[C@H]3C2)cc1 721691 LMMKBNXBWCWDKV-XXBNENTESA-N 370.408 4.658 0 50 FJAA O=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc(Br)cc12 1061826 VSLFTTWRZZZQBQ-UHFFFAOYSA-N 371.017 4.924 0 50 FJAA Oc1ccccc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 1134506 BVEILHPWLHANJZ-UHFFFAOYSA-N 359.454 4.932 0 50 FJAA Cc1nc(NCc2ccco2)sc1-c1ccn(Cc2ccc(F)cc2)n1 12191047 VXBKNQNGTSQFFY-UHFFFAOYSA-N 368.437 4.708 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3ccc(Cl)c(F)c3)c2C)cc1 12710387 VJYFVQUSOZCRPV-ZDUSSCGKSA-N 373.859 4.833 0 50 FJAA CCC1(CC)CCN(Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)C1 48488452 DJDCBJXQPNNXNE-UHFFFAOYSA-N 353.510 4.572 0 50 FJAA C[C@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1C1CCOCC1 65409614 RWFCUEZYCXCMOB-QGZVFWFLSA-N 356.510 4.946 0 50 FJAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccccc2N2CCCC2)c1 77388264 WJUFYGLTPJCTNF-NRFANRHFSA-N 364.489 4.663 0 50 FJAA Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C=C(c1ccccc1)N2 100716719 BSRNABZJZQKUHF-KRWDZBQOSA-N 357.244 4.949 0 50 FJAA CC1=C[C@H](C)[C@@H](CN(CCCN(C)C)C(=O)Nc2ccccc2)[C@H](C)C1 102667391 BTSDULYOJUKWAH-QKNQBKEWSA-N 357.542 4.711 0 50 FJAA CCc1ccccc1C(=O)Nc1nnc(SCc2cccs2)s1 127190242 RFBBBGFQRNGUDD-UHFFFAOYSA-N 361.517 4.707 0 50 FJAA c1csc(Oc2ccc(OCc3csc([C@@H]4CCCO4)n3)cc2)n1 153435778 QMSKLYCXDLUOCL-HNNXBMFYSA-N 360.460 4.822 0 50 FJAA C[C@@H]1Sc2ccccc2N(C(=O)c2csc(-c3ccccn3)n2)[C@@H]1C 176695756 SYSRMGWYRXWKAJ-OLZOCXBDSA-N 367.499 4.735 0 50 FJAA CC(C)c1ccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)s1 185888578 RHJAQINCQUWUEA-AWEZNQCLSA-N 363.454 4.821 0 50 FJAA Cc1nc(-c2ccc(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cs1 248023800 JUQDWKVVJGBERT-SKSLQVBQSA-N 354.519 4.602 0 50 FJAA CC(=O)Nc1ccc(CN[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 253430353 JBEWEYBYUAFDFG-JCNLHEQBSA-N 363.288 4.988 0 50 FJAA O=C(Nc1ccc2ncccc2c1)N(Cc1ccsc1)C[C@@H]1CCCO1 299776993 JACKOMQSAWEHEE-SFHVURJKSA-N 367.474 4.509 0 50 FJAA COC(C)(C)CCC[C@@H](C)CCNCCOc1cccc2cccnc12 952860225 IRZPQFNNARIDBC-GOSISDBHSA-N 358.526 4.825 0 50 FJAA c1ccc(CO[C@@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)nc1 1506416949 NLSBBOHBFJXSEE-HSZRJFAPSA-N 366.505 4.584 0 50 FJAA Cc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc2cc3c(cc12)CCC3 1529133095 BHJJGEJJASEZDC-NRFANRHFSA-N 373.500 4.613 0 50 FJAA CCOC(=O)c1cc(C(=O)c2cccs2)n2c1ccc1cc(C)ccc12 624977 AGPOZSCRDOZAHK-UHFFFAOYSA-N 363.438 4.870 0 50 FJAA Cc1ccc2cccc(OC(=O)Nc3ccc(Br)cc3)c2n1 640485 UCXALOXRZJPHFD-UHFFFAOYSA-N 357.207 4.917 0 50 FJAA Cc1ccc(C(=O)C[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 868794 MQFMDJVSNAFYFS-FQEVSTJZSA-N 370.495 4.845 0 50 FJAA Cc1cccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NC[C@@H](C)S2)n1 1059868 JMULMBIABYMCRJ-GFCCVEGCSA-N 360.870 4.573 0 50 FJAA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccc(F)c1 1094950 FCDBGTKDZNFVCK-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1176758 LFUSSDBLPLMEGT-UHFFFAOYSA-N 365.351 4.706 0 50 FJAA CC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1 1230335 OWCACJYJLUDMEL-UHFFFAOYSA-N 359.381 4.507 0 50 FJAA CCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(C)c2c2ccccc12 1294346 UDGWXYGACSZTQJ-UHFFFAOYSA-N 353.418 4.522 0 50 FJAA COC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 2931832 NJPDQRWTRBWJJJ-UHFFFAOYSA-N 359.425 4.634 0 50 FJAA O=C(COc1ccc(Br)cc1Cl)NC1CCCCCCC1 4672347 HHEMNFJLEWUVHS-UHFFFAOYSA-N 374.706 4.710 0 50 FJAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(=O)O)CC[C@H]32)C1 17003420 WVHKCBDRQIXZLC-LCYVZWTKSA-N 360.494 4.582 0 50 FJAA CC[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 27645284 FFXKPSNQCPNORO-LTJYYOKGSA-N 362.510 4.715 0 50 FJAA endogenous,in-man CO[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1)c1ccccc1 55384011 IDLBFSBFSOOLKE-OAQYLSRUSA-N 374.440 4.574 0 50 FJAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 63871952 GTGAKZMTIPWTAX-INIZCTEOSA-N 362.477 4.612 0 50 FJAA CCn1nc(C)c(-c2c(-c3ccccc3)ncn2CCc2ccncc2)c1C 65373472 GEHQUJBUJFHZJH-UHFFFAOYSA-N 371.488 4.688 0 50 FJAA CC(=O)N1CCC[C@@H](n2cnc(-c3ccccc3)c2CCc2ccccc2)C1 65409586 SITKBDSTRCSBLN-JOCHJYFZSA-N 373.500 4.519 0 50 FJAA Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3nnc(C(C)C)o3)c2)cs1 95512630 PCJDBWWXQNRDAS-NSHDSACASA-N 371.466 4.508 0 50 FJAA CC[C@@H](C)n1nc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1C 330730703 IGWUTQCWNIZXKW-DOMZBBRYSA-N 362.543 4.884 0 50 FJAA Cc1cc(C)cc([C@H](OC(=O)[C@H]2Cc3ccc(F)cc32)C(F)(F)F)c1 1354437486 DIWWVECDUCYHOZ-IRXDYDNUSA-N 352.327 4.929 0 50 FJAA CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1 1565512967 IQEDAXRLKBZMLZ-IRXDYDNUSA-N 365.448 4.958 0 50 FJAA Cc1cccc(COc2cccc(NC(=O)/C=C/c3cncs3)c2)c1 2325748756 CESJVOUKMKRMAD-CMDGGOBGSA-N 350.443 4.682 0 50 FJAA COc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1 719671 APPNPFYPUSEWTQ-UHFFFAOYSA-N 358.441 4.867 0 50 FJAA O=C(O)Cc1cc(C(=O)c2ccc(Cl)cc2)sc1-c1ccccc1 754394 LYIDFXWWTOCMHV-UHFFFAOYSA-N 356.830 4.927 0 50 FJAA CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CO1 1122979 SYVPSJMZMJHMCV-AWEZNQCLSA-N 371.531 4.663 0 50 FJAA COc1cc(Br)c(CNc2ccc(C)c(C)c2)cc1OC 1214879 OVUACIHAFHODTA-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA CCCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)c(Cl)cc12 2140581 QZSAAPXAQATUQY-UHFFFAOYSA-N 372.804 4.627 0 50 FJAA biogenic CCOc1cc(-c2nc(-c3ccccc3C)no2)cc(OCC)c1OCC 2886091 QFKVWPBLFVNRJD-UHFFFAOYSA-N 368.433 4.908 0 50 FJAA COC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 2930447 LFCIGTCYRRODCT-UHFFFAOYSA-N 355.777 4.639 0 50 FJAA aggregator Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccccc1 3005058 SOMINLXQROSMDT-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 4910487 DWYSCWSRNDRDND-GMXGEUMGSA-N 365.473 4.971 0 50 FJAA COc1ccccc1/C=C(/NC(=O)c1ccccc1)c1nc2ccccc2o1 5008755 DHFCUFFONVNQIH-XDJHFCHBSA-N 370.408 4.765 0 50 FJAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1ccncc1)O2 5029203 YAUGIQJKPRYIRP-VQIMIIECSA-N 351.793 4.570 0 50 FJAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)CC(C)C)CC1 12448175 BKDPNECSSFMWRF-UHFFFAOYSA-N 365.565 4.760 0 50 FJAA CCc1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 19359644 OODRLIPBLPTYER-UHFFFAOYSA-N 362.439 4.586 0 50 FJAA c1ccc(-c2ccc(N3CCC(NCCc4ccncc4)CC3)cc2)cc1 23158616 GQFRPSSRMPYYRT-UHFFFAOYSA-N 357.501 4.550 0 50 FJAA COc1ccccc1Oc1ncccc1CNCc1ccccc1Cl 55568732 OAZTXYSDLBUESQ-UHFFFAOYSA-N 354.837 4.826 0 50 FJAA Cc1ccc2[nH]cc(CN3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)c2c1 67817162 JZNPOYPJRZECBP-FQEVSTJZSA-N 368.484 4.923 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nn1 72117338 QNMGDUWJQDPRTO-UHFFFAOYSA-N 354.797 4.875 0 50 FJAA CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H]2CO[C@@H]1C2 100015996 VGRVXLWYKKBTNM-DRHSTTQLSA-N 352.515 4.560 0 50 FJAA in-vitro COc1ccc(CO[C@@H]2[C@H]3CC[C@@H]([C@@H]4CCC(C)(C)[C@@]42O)C3(C)C)cc1 216556274 XLOOCWUKUKOMND-GRBVSQBPSA-N 358.522 4.814 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 239309373 HLZNOJRSHYTLRA-KANUSWJPSA-N 353.849 5.335 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 245240780 SPFIKHYEPDYDPC-ZEVCKCCMSA-N 360.538 4.689 0 50 FJAA 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 247660944 SCNWNOJSZNDWCA-YYCOIEBYSA-N 362.510 4.662 0 50 FJAA O=C([C@H](c1ccccc1)N1CCC[C@H]1c1cccs1)N1CCCCC1 247809019 DBSOKDODALVEDE-ICSRJNTNSA-N 354.519 4.639 0 50 FJAA O=C1CN(Cc2ccc(Cl)s2)C(=O)N1[C@@H]1CCC[C@H]1c1ccccc1 408517056 ZSRVRGWHTRAHPO-JKSUJKDBSA-N 374.893 4.502 0 50 FJAA COC(=O)c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 636748 MQRZYJDVXUMYDY-UHFFFAOYSA-N 359.425 4.511 0 50 FJAA COc1ccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 662309 ZEZZVDKRWGBLEJ-NRFANRHFSA-N 363.482 4.845 0 50 FJAA biogenic C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCc2ccccc21 669244 IOSCEWXBJFPQMC-GFCCVEGCSA-N 350.245 4.740 0 50 FJAA COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2cc(C)c(C)cc21 968754 HSPHERGLWPYDCY-CYBMUJFWSA-N 360.251 4.549 0 50 FJAA CC[C@]1(C)Cc2c(sc3[nH]c(=S)n(-c4ccc(C)cc4)c(=O)c23)CO1 1138534 WPBYPIZWDNZMJH-LJQANCHMSA-N 372.515 4.660 0 50 FJAA Cc1ccc(N2C(=O)c3ccc(-c4nc5ccccc5o4)cc3C2=O)c(C)c1 1207719 BOUNKZWXBLFSFT-UHFFFAOYSA-N 368.392 4.912 0 50 FJAA OCc1cn(-c2ccc(F)cc2)nc1-c1cc(F)c(Cl)cc1Cl 2541932 JGXVQWQSGKJROK-UHFFFAOYSA-N 355.171 4.617 0 50 FJAA CCOc1cc(CNCc2cccs2)cc(Br)c1OCC 4486585 JLCZXQCYGWUHCG-UHFFFAOYSA-N 370.312 4.598 0 50 FJAA CCn1c(SCc2ccccc2F)nc2sc3c(c2c1=O)CCCC3 5027907 NRINYOQNLSNABE-UHFFFAOYSA-N 374.506 4.788 0 50 FJAA Cc1ccc(C)c(NC(=O)CSc2ccc(-c3cccs3)nn2)c1 6858757 JXCHBIBXTHFPRJ-UHFFFAOYSA-N 355.488 4.553 0 50 FJAA aggregator CCCc1nc2cccnc2n1C1CCN([C@H]2CCc3ccccc3C2)CC1 11785210 VFQRYINCASFISZ-NRFANRHFSA-N 374.532 4.578 0 50 FJAA CC(C)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 12029423 NXSABUXKKXZVKX-UHFFFAOYSA-N 363.461 4.554 0 50 FJAA COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC 18269677 JLJAVUZBHSLLJL-DQEHQXCCSA-N 372.461 4.806 0 50 FJAA biogenic,in-vitro Cc1ccc(-c2nc(CN(C)Cc3c(C)nc4ccccn34)c(C)o2)s1 19744695 NYXPICRYMHYHJT-UHFFFAOYSA-N 366.490 4.608 0 50 FJAA CCCO[C@H]1CCCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 65358123 PRQIFMHMBXFRMF-IBGZPJMESA-N 350.462 4.681 0 50 FJAA CC(=O)N1N=C(c2cc(C)oc2C)C[C@H]1c1cc(Cl)ccc1Cl 170615307 PCNSETQGXHMSRO-KRWDZBQOSA-N 351.233 4.901 0 50 FJAA COc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)cc1 239403098 RMPDWYSTALCBRQ-GGAORHGYSA-N 374.415 5.077 0 50 FJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 239433441 XRYYEEDZIFKBOB-GMAHTHKFSA-N 371.440 4.723 0 50 FJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)O)[C@@]4(C)CC[C@H]32)C1 257349787 RDRFJIOUMNDZPW-GUCOKAMLSA-N 362.554 4.958 0 50 FJAA C[C@@H](C(=O)NCc1ccc2ccoc2c1)c1cccc(Br)c1 2325737077 SRJMSSLYXHMUJB-GFCCVEGCSA-N 358.235 4.615 0 50 FJAA COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC)ccc3c2=O)cc1 703465 DOKOZUWVAZICDZ-UHFFFAOYSA-N 366.291 4.621 0 50 FJAA Cc1nn(Cc2cccc(C(=O)Nc3ccccc3F)c2)c(C)c1Cl 1142227 HWWRQDMUCRXOAR-UHFFFAOYSA-N 357.816 4.593 0 50 FJAA Cc1cccc(C)c1OCc1nnc(NC(=O)Nc2ccccc2F)s1 2356480 MUMMLDAUBCSSKG-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(Br)c1 4892212 GJOCBPZPAWWDLL-LLVKDONJSA-N 368.658 4.817 0 50 FJAA O=C(c1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccsc1 225498917 YVDBYWOPWXMRNR-INIZCTEOSA-N 356.834 4.986 0 50 FJAA Cc1nc([C@@H](C)NC(=O)c2c(-n3cccc3)sc(C)c2C)c(C)s1 299796030 PLQDFNCRQOXXDW-LLVKDONJSA-N 359.520 4.720 0 50 FJAA C[C@@H](c1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)cc1)N1CCCC1 534574523 RXWOQHNHSXFVRG-INIZCTEOSA-N 353.462 4.752 0 50 FJAA C[C@@H]1C[C@H](c2cccnc2)N(c2nc(-c3ccncc3)nc3ccccc23)C1 754088859 VRFQISMUCTWNIV-IIBYNOLFSA-N 367.456 4.674 0 50 FJAA COc1ccc(-c2oc3c(cc(OC)c4ccccc43)c2CC(=O)O)cc1 1848443337 IJQNGRRMBSDZPE-UHFFFAOYSA-N 362.381 4.897 0 50 FJAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C[C@H]2CCCCC[C@H]21 1875264162 FZJHOSKJWSMOOW-RTBURBONSA-N 363.505 4.681 0 50 FJAA CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 669303 AHCDTKQSHCOBRU-UHFFFAOYSA-N 356.219 4.841 0 50 FJAA COc1ccc(/C=C2/SC(=S)N=C2O)cc1OCc1ccccc1 1188048 OBOGKHGUGFMYAS-MHWRWJLKSA-N 357.456 4.603 0 50 FJAA CCCCc1nnc(NC(=O)CCCOc2ccc(Cl)cc2C)s1 2873071 RQYUCAHTDAWPAB-UHFFFAOYSA-N 367.902 4.640 0 50 FJAA Cn1c(SCc2ccccc2Cl)nnc1-c1c[nH]c2ccccc12 2879671 WOQQDLGJTNVWAF-UHFFFAOYSA-N 354.866 4.909 0 50 FJAA Cc1nnc(SCC(=O)Nc2ccc(/C=C/c3ccccc3)cc2)s1 2940019 UWCMDRRQRVTWSE-BQYQJAHWSA-N 367.499 4.748 0 50 FJAA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1 2978877 BDMDDHMXUSVVJC-UHFFFAOYSA-N 366.873 4.719 0 50 FJAA CCOc1ccccc1OCCOCCOc1cc(C(C)C)ccc1C 2984840 GDVRGSVDKYGQRX-UHFFFAOYSA-N 358.478 4.992 0 50 FJAA CN(C)CC[C@@]1(c2ccc(Cl)cc2)Cc2cc(Cl)ccc2C(=O)O1 4489110 YZUWAALSXOFHTI-IBGZPJMESA-N 364.272 4.554 0 50 FJAA CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(C)cc3)c12 4749078 QVPGMIVVCPTSCL-UHFFFAOYSA-N 350.414 4.624 0 50 FJAA Cc1oc(-c2ccccc2F)nc1CN(C)Cc1cccc2cnccc12 12024799 OPNSRUIRULOBHM-UHFFFAOYSA-N 361.420 4.969 0 50 FJAA CCOc1cc(CN[C@@H](CC)c2ccnn2C)c(Cl)cc1OC(C)C 55325779 LKTWJTTWNUWBFA-INIZCTEOSA-N 365.905 4.500 0 50 FJAA CCc1ncc(-c2c(-c3ccccc3)ncn2Cc2ccccc2F)cn1 65394339 JOKUVVREKOXTOT-UHFFFAOYSA-N 358.420 4.757 0 50 FJAA C[C@H](c1cccs1)N(C)Cc1cccc(C(=O)Nc2ccncc2F)c1 67867525 RICKMYFOEPKRGH-CQSZACIVSA-N 369.465 4.728 0 50 FJAA Cc1c[nH]c(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)c1 71613786 AAVQFKGIPJPBBB-OAHLLOKOSA-N 364.411 4.827 0 50 FJAA Cc1nc(CNc2cccc3c2OCCO3)oc1-c1ccc(Cl)cc1 163633195 TUCSEIHQOMEXCV-UHFFFAOYSA-N 356.809 4.687 0 50 FJAA COC(=O)c1cc2ccccc2cc1NC(=O)c1coc(-c2ccccc2)n1 170634176 FMYIRMUPJYSKFO-UHFFFAOYSA-N 372.380 4.534 0 50 FJAA O=C(CCc1nc(C2CCCC2)no1)N1CCCC2(CCCCC2)CC1 190683384 OHMGOAPYJVTQCB-UHFFFAOYSA-N 359.514 4.623 0 50 FJAA c1ccc(CN(Cc2ccco2)Cc2cncn2C2CCCCC2)nc1 244724073 MMZVAYYYVWTUOZ-UHFFFAOYSA-N 350.466 4.579 0 50 FJAA CSCC[C@H](C(=O)Nc1cccc2c1ccn2C(C)C)n1cccc1 263588121 PHSUUXUDKNHPMS-LJQANCHMSA-N 355.507 4.957 0 50 FJAA CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(Cl)c2Cl)C1 464774997 NDPOVBDKFJVYAU-NEPJUHHUSA-N 361.338 4.538 0 50 FJAA CC1(C)C[C@@](CCn2ccnc2-c2ccncc2)(c2ccccc2)CCO1 1857668632 RWCSFAUTMPVFKA-QHCPKHFHSA-N 361.489 4.862 0 50 FJAA Cc1ccc([C@@H](NC[C@H](CO)Cc2ccccc2C)c2cccc(C)n2)cc1 2325841666 CKACQGYMNFEGAB-PXDATVDWSA-N 374.528 4.537 0 50 FJAA O=C(CSc1nnc2sc3ccccc3n12)c1ccc(Cl)cc1 632082 KBYFNASEGNHULB-UHFFFAOYSA-N 359.863 4.572 0 50 FJAA Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(Br)ccc2n1 1114137 WSFAJONSOYOWLN-UHFFFAOYSA-N 357.207 4.748 0 50 FJAA CCc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)cc1 1127785 OLSWEUBQOUDOAA-UHFFFAOYSA-N 374.440 4.762 0 50 FJAA CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1 1139467 AHOZKEWCWWHWER-UHFFFAOYSA-N 354.909 4.944 0 50 FJAA O=C(Nc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 1326504 CSQUPLLGCHBKGI-UHFFFAOYSA-N 355.438 4.847 0 50 FJAA CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Br)ccc1O2 2025726 BDULIJWZMMHIEQ-IBGZPJMESA-N 356.263 4.979 0 50 FJAA in-vitro CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 2843147 OWCOPHKBYNPBHJ-UHFFFAOYSA-N 372.468 4.992 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)N1CCCC1 2881072 BUCPMDZLSURZCR-UHFFFAOYSA-N 355.437 4.821 0 50 FJAA COc1ccc(C)cc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542148 QGCCJFMUBKUEMA-UHFFFAOYSA-N 374.651 4.981 0 50 FJAA O=C(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Br)cc1 5344489 LBQUFQVKTAOABB-CQSZACIVSA-N 367.626 4.544 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3cccc(SC)c3)c2C)cc1 11842738 PGKGNPCOSAZLMJ-HNNXBMFYSA-N 367.518 4.762 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)oc2c1 91585772 CKGNOJHJHGNSPK-SFHVURJKSA-N 359.429 4.903 0 50 FJAA Fc1ccccc1-c1cnc(CN2CCC(OCc3ccccc3)CC2)o1 158732868 XUPFZLYOORUACM-UHFFFAOYSA-N 366.436 4.662 0 50 FJAA Cc1c(NC(=O)CCCc2cccs2)cnc(Cl)c1Br 170595166 IZEBZWCZSFMPTE-UHFFFAOYSA-N 373.703 4.829 0 50 FJAA CN(Cc1ccc(OC[C@@H]2CCCNC2)cc1)Cc1cccc2ccccc12 299758884 DYXSQUDLJHJTBB-OAQYLSRUSA-N 374.528 4.850 0 50 FJAA Cc1ccnc2sc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)c(C)c12 408268762 OLGXKCVNJOSOQP-LLVKDONJSA-N 352.459 4.773 0 50 FJAA CN(CC[C@@H]1CCCCO1)Cc1c(-c2ccc(F)cc2)nc2ccccn12 952864135 YCBRFKZNLJHJNL-IBGZPJMESA-N 367.468 4.531 0 50 FJAA CC(C)Oc1nccn2c(-c3ccc([C@@H](C)N4CCCCC4)cc3)cnc12 2356145284 JJRGDIYFZSUOGH-QGZVFWFLSA-N 364.493 4.730 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)Cc1ccccc1 717905 WUTXIZUDNIOOFH-CYBMUJFWSA-N 354.837 4.664 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 990689 OPLVUCABQYYYSV-RBUKOAKNSA-N 353.418 4.617 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Br)c1 994135 YLROQEITWVJRAD-UHFFFAOYSA-N 357.207 4.665 0 50 FJAA Cc1c(OC(=O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 1025241 UJEUHHYVNKVJSF-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA CCCCOCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 2743605 GIBAKKGZSJJUDV-HXUWFJFHSA-N 357.519 4.843 0 50 FJAA Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(C)C)c1 4841134 WEDVKGIMEWTXQS-UHFFFAOYSA-N 366.490 4.565 0 50 FJAA CCCNC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 4948882 PTYNJAVQOCWQMZ-UHFFFAOYSA-N 360.526 4.853 0 50 FJAA biogenic O=c1c2ccccc2nc(/C=C/c2ccccc2)n1CCc1ccccc1 4952404 DSUBGHYDPIPQKP-FOCLMDBBSA-N 352.437 4.810 0 50 FJAA c1ccc2oc(-c3n[nH]cc3CNCCn3ccc4ccccc43)cc2c1 12198279 LCGVSMXXJDNJMZ-UHFFFAOYSA-N 356.429 4.567 0 50 FJAA COc1ccc(-n2cc(CNC(C)C)c(-c3ccccc3Cl)n2)cc1 12754265 IDRRHSLVXZOLCZ-UHFFFAOYSA-N 355.869 4.699 0 50 FJAA CC(C)CC(=O)[C@H]1CCCN(c2nncc(-c3cccc4ccccc34)n2)C1 15063738 JYNISKBTRUMRPX-SFHVURJKSA-N 374.488 4.523 0 50 FJAA Cn1ccnc1-c1ccccc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 92001648 LYDNOALDIZIWAZ-HXUWFJFHSA-N 373.500 4.715 0 50 FJAA Cc1cccc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)n1 95501313 FQLFNVYTYIELPC-UHFFFAOYSA-N 356.469 4.612 0 50 FJAA CCSCCN(C(=O)c1ccccc1-c1ncc[nH]1)C1CCCCC1 97272363 VRCCZIQEVBIBAD-UHFFFAOYSA-N 357.523 4.605 0 50 FJAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@H]2C1=C1CCCC1 141661255 OJXVAOKMXYGESR-LUVWLHFXSA-N 374.267 4.785 0 50 FJAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 253499620 LKOAALDQELDYMU-NPQLIOMISA-N 358.522 4.898 0 50 FJAA biogenic CCCCN(Cc1ccccn1)C(=O)c1cccc(-c2nccs2)c1 299784515 XRFNPUYJPLRWNF-UHFFFAOYSA-N 351.475 4.648 0 50 FJAA Cc1noc(NC(=O)c2ccc([C@H]3CCCO3)s2)c1-c1ccccc1 1506403464 BNTZPMZFJUFGIY-CQSZACIVSA-N 354.431 4.815 0 50 FJAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 1704299301 IGNIGHIVWNUXSF-QMHWCDLVSA-N 364.489 4.759 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](C2(C(F)(F)F)N=N2)C1 1875356228 LFWGNNCXGYBHJE-KRWDZBQOSA-N 373.378 4.930 0 50 FJAA CCc1cc(C(=O)OC)c(NC(=O)Cc2c(Cl)cccc2Cl)s1 648345 ZSXNFSPFAOPHMY-UHFFFAOYSA-N 372.273 4.585 0 50 FJAA Cc1nnc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)s1 818259 RWEIVSGYFPNEIF-UHFFFAOYSA-N 368.245 4.974 0 50 FJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc21 1056442 PMTIYQBEPKCLTG-UHFFFAOYSA-N 356.784 4.645 0 50 FJAA O=C(Nc1ccccc1N1CCCCC1)c1cccc(Br)c1 1126702 NNFYHBMMXBPDHI-UHFFFAOYSA-N 359.267 4.692 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1C 1185602 UGMDEZUTXXKMDJ-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA COC(=O)c1sc2ncccc2c1OCc1cccc(C(F)(F)F)c1 1387996 MHEHOXGHXATYKP-UHFFFAOYSA-N 367.348 4.681 0 50 FJAA CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1 1862896 ZSHFZAIVTYDIJP-UHFFFAOYSA-N 374.444 4.917 0 50 FJAA CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 2985933 XCFMURNYGARGET-UHFFFAOYSA-N 362.882 4.564 0 50 FJAA CCC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 4832912 NFTKXFZEGFQWST-UHFFFAOYSA-N 372.468 4.878 0 50 FJAA O=C1CS[C@H](c2ccccc2)N1CCSC12CC3CC(CC(C3)C1)C2 4949166 XTGGTEDRKUYHHP-LTUUKXNJSA-N 373.587 4.963 0 50 FJAA CCCCCN(CCCCC)C(=O)[C@@H](Cc1ccccc1)C(=O)OCC 4975500 BDUNNSJDSMOSCW-HXUWFJFHSA-N 361.526 4.617 0 50 FJAA OC[C@]1(CCCc2ccccc2)CCCN(Cc2cccc3ncccc23)C1 11815504 KVYIQCQLBFZGJF-RUZDIDTESA-N 374.528 4.832 0 50 FJAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 95518409 MIBFJMZORZKXNL-MRXNPFEDSA-N 372.538 4.817 0 50 FJAA CN(C[C@@H](O)c1ccccc1F)[C@H](c1ccccc1)c1ccc(F)cc1 247958019 DKCBNRHIQRQBQK-FGZHOGPDSA-N 353.412 4.720 0 50 FJAA CC(C)c1ccc(-c2cccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)nn1 299785645 KZLJLKPBIOWGFS-SIKLNZKXSA-N 357.457 4.553 0 50 FJAA Cc1cc(C)n(Cc2ccc(-c3cccc([C@H](C)N4CCCC4)c3)nc2)n1 426641454 GLYYIUKQUJMURY-IBGZPJMESA-N 360.505 4.767 0 50 FJAA O=C(O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1Cl 2325803372 CIHBWQYSZTYGJE-BCDXTJNWSA-N 355.865 4.949 0 50 FJAA O=C1c2cccc3cccc(c23)C(=O)N1c1ncc(-c2ccccc2)s1 856722 DADRVFRWHOJHHH-UHFFFAOYSA-N 356.406 4.764 0 50 FJAA COc1ccc(OC)c(C(=O)c2coc3c(Cl)c(Cl)c(O)cc23)c1 978441 FJALQOWZASPGNS-UHFFFAOYSA-N 367.184 4.693 0 50 FJAA CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 1175975 STHAIGZSYIOUPV-SJLPKXTDSA-N 350.462 4.500 0 50 FJAA CCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1ccccc1F 4563506 QTJZZQMAXNWZMN-UHFFFAOYSA-N 367.401 4.814 0 50 FJAA COc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 4819596 WLGYIZKFHJFYDP-UHFFFAOYSA-N 371.396 4.665 0 50 FJAA Cc1cccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 4839330 GHSYKHUESYYATA-UHFFFAOYSA-N 364.276 4.656 0 50 FJAA Cc1ccc2oc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)c2c1 6614155 HJFAHXIDNDAWEW-UHFFFAOYSA-N 368.864 4.665 0 50 FJAA CCCCc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1 11692782 NQCQQBDCRYTAQE-UHFFFAOYSA-N 362.477 4.787 0 50 FJAA CCOc1cccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12298966 FKDNBFQNLZCPJY-HNNXBMFYSA-N 353.441 4.569 0 50 FJAA CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)cc1 12445854 OYCLCSSXWKRZFW-XMMPIXPASA-N 370.500 4.910 0 50 FJAA c1ccc(-n2ncc3c2CCC[C@H]3NCc2cc3ccccc3s2)nc1 20860311 UBQFOTFQWWJJSE-GOSISDBHSA-N 360.486 4.649 0 50 FJAA Cn1ccnc1C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 170593516 HFKFZNGILSQMNK-ZDUSSCGKSA-N 371.834 4.547 0 50 FJAA C[C@H](C(=O)Nc1cccc(N2CCCCCC2)c1)n1cnc2ccccc21 170636750 HBVCXBUMQLMALX-QGZVFWFLSA-N 362.477 4.616 0 50 FJAA Cc1nn(C(C)C)c(C)c1CN(C)Cc1cnc(C2CCCCC2)nc1 215321918 XAOGRELHVWOLIO-UHFFFAOYSA-N 355.530 4.551 0 50 FJAA O=Cc1ccc(-c2ccc(-c3ccc(C=O)s3)c3nsnc23)s1 225553719 MYFMYUMBJOVSJX-UHFFFAOYSA-N 356.453 4.773 0 50 FJAA Cc1cc(-c2ccc(C(=O)N3CCO[C@@H](C4CC4)C3)cc2)c(Cl)cc1F 584885191 OUAJPARZSPEBRY-HXUWFJFHSA-N 373.855 4.706 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2F)cn1 952981487 ZWIGCCCMHWVFBT-UHFFFAOYSA-N 372.783 4.927 0 50 FJAA O=C(Nc1ccnn1CC1CC1)[C@@H](CCc1ccccc1)c1ccccc1 1875338114 NVUFRKSVKSRGGX-NRFANRHFSA-N 359.473 4.648 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)c1ccco1 1081635 GJNHDXPVPREPCN-UHFFFAOYSA-N 356.381 4.937 0 50 FJAA OC(c1ccccc1Cl)(c1ccccc1Cl)[C@@H]1CN2CCC1CC2 2942458 ANTQWRNMDJTUAD-QGZVFWFLSA-N 362.300 4.571 0 50 FJAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccccc2s1 5077471 NWXBYJUZQQJROK-CYBMUJFWSA-N 354.475 5.000 0 50 FJAA CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)C)cc3)c2C(N)=O)C1 5093831 VHJIZUPWDKSFAE-ZDUSSCGKSA-N 370.518 4.738 0 50 FJAA CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 10109711 NIVDFIGISBIQNX-UHFFFAOYSA-N 365.260 4.774 0 50 FJAA O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 10457988 FITKRYHOMKMRKC-UHFFFAOYSA-N 370.880 4.537 0 50 FJAA COc1cccc2c1OCCCN(Cc1nc(-c3ccsc3)oc1C)C2 12585823 WCHPEMWTXFPREO-UHFFFAOYSA-N 370.474 4.505 0 50 FJAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(CO)o1 15070626 IMAGXEKKMFDPTF-DEOSSOPVSA-N 372.468 4.709 0 50 FJAA O=C1c2ccccc2N[C@H](c2cccc3ccccc23)N1C[C@H]1CCCO1 15502941 SOXNPQCXRRBRMX-VGSWGCGISA-N 358.441 4.585 0 50 FJAA CCCN1CCC(NC(=O)c2csc(C)c2-c2ccc(C)cc2)CC1 16604774 VQTJTEWLHMQPBX-UHFFFAOYSA-N 356.535 4.636 0 50 FJAA Cc1oc(-c2cccs2)nc1-c1c(-c2ccccc2)ncn1CCCO 65370940 YNCMUVKTDJDQKT-UHFFFAOYSA-N 365.458 4.624 0 50 FJAA COC(=O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 95828806 UOBIGGKEPSUENK-UHFFFAOYSA-N 362.425 4.560 0 50 FJAA in-vitro OC1=C[C@]2(CCC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 100671118 CEGXVWAWDVNTOW-CTNGQTDRSA-N 350.393 4.691 0 50 FJAA COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 238936929 SOLFGTIEYURABM-SIGLWIIPSA-N 361.557 5.467 0 50 FJAA CN(CCC1(O)CCCC1)C(=O)c1ccc(-c2cccc3cc[nH]c23)cc1 426372412 XATNQAWFIYJYMS-UHFFFAOYSA-N 362.473 4.602 0 50 FJAA CNC(=O)CCC(C)(C)NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1 426513734 REMKCOHJQYVVQB-UHFFFAOYSA-N 374.484 4.541 0 50 FJAA O=C(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccncc1)C1CC1 624528728 JCXLWMJMKDSVDH-UHFFFAOYSA-N 354.759 4.559 0 50 FJAA CC(C)n1cnnc1[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 827999758 OCYXQINOMWLSNX-OAHLLOKOSA-N 365.437 4.534 0 50 FJAA Fc1cccc(Cl)c1CCN1CC=C(c2c[nH]c3ncccc23)CC1 1473266048 QIQRNMGCWLZRSW-UHFFFAOYSA-N 355.844 4.687 0 50 FJAA C=Cc1ccc(-c2ccc(C(=O)N(CCC)[C@H]3CCCC[C@@H]3O)cc2)nc1 1565517172 NOMDYXDGZFLYGW-VXKWHMMOSA-N 364.489 4.547 0 50 FJAA CC(C)OCc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 1875339200 DDEMNIDKDRUWRJ-UHFFFAOYSA-N 352.459 4.987 0 50 FJAA COc1ccc2oc(=O)c(-c3csc(Nc4ccc(C)cc4)n3)cc2c1 1187302 PWXWGTPKPCLWDA-UHFFFAOYSA-N 364.426 4.977 0 50 FJAA COc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 1216439 IXRWRZDLKDDSAV-UHFFFAOYSA-N 356.219 4.863 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCCc1ccccc1 2739928 PLCFJKFGAYSKKF-AWEZNQCLSA-N 366.288 4.900 0 50 FJAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 2850601 NYOCUOYRDDRZPI-SNVBAGLBSA-N 354.631 4.509 0 50 FJAA Cc1ccc(SCCC(=O)NCCSCc2ccccc2C)cc1 2851801 RMPQMISLVWLPCK-UHFFFAOYSA-N 359.560 4.835 0 50 FJAA Cc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 4140356 TZXFWOJEOMPGPD-UHFFFAOYSA-N 360.442 4.501 0 50 FJAA O=C(O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1 5490487 KMCILSQXVZBXRH-UHFFFAOYSA-O 352.413 4.996 0 50 FJAA Cc1c[nH]c(CN(C)C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 12433693 DPRRJDBJYYVGCQ-LJQANCHMSA-N 367.880 4.552 0 50 FJAA COc1cccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c1 14985582 JALDZUUWFXQAJY-UHFFFAOYSA-N 367.470 4.524 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)no1 29242345 OGHOEJIKJICRSZ-INIZCTEOSA-N 356.809 4.874 0 50 FJAA CN1CCN(c2cc(-c3ccccc3)nc3c(C(F)(F)F)cccc23)CC1 32666602 KIVNPIZXNXQOKY-UHFFFAOYSA-N 371.406 4.672 0 50 FJAA CC[C@@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1 157687823 XZLSEISXHTTZCE-GOSISDBHSA-N 365.452 4.602 0 50 FJAA CCCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2ccccc2OC)c1 299783447 YHLURKHBUXWPQK-LJQANCHMSA-N 368.477 4.785 0 50 FJAA 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 498049498 YGKSWRFCMZRVMU-GVUKCBQMSA-N 374.521 4.624 0 50 FJAA Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(N)c3)c(F)c2F)c1 638427 IXZJNKFVNVHOGP-UHFFFAOYSA-N 364.298 4.992 0 50 FJAA COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(OC)c1 854694 JOEFMWSQICHLEA-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA Cc1ccccc1N1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 1197866 BHXOWLJOEZLEQF-UHFFFAOYSA-N 370.452 4.939 0 50 FJAA O=C(CSCc1ccccc1)Nc1nnc(/C=C/c2ccccc2)s1 4837889 NMONXHJFUOCUIY-VAWYXSNFSA-N 367.499 4.580 0 50 FJAA COc1ccc(CNC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1 8714533 IVFGGPMANOPUTA-UHFFFAOYSA-N 362.429 4.752 0 50 FJAA CC(C)NC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 12138580 UAAKLGIEAUQEOZ-UHFFFAOYSA-N 372.877 4.945 0 50 FJAA CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(C)c23)cc1 13642123 RGCQEPOFVQAQQX-OCCSQVGLSA-N 351.450 4.844 0 50 FJAA Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2ccc(C)c(C)c2n1 19745808 SPGRUECUKFZMTI-AWEZNQCLSA-N 350.384 4.575 0 50 FJAA CN(Cc1ccon1)C1CCN(c2cccc(-c3cccc(F)c3)c2)CC1 23159599 NJBLZDKKPGWQJD-UHFFFAOYSA-N 365.452 4.582 0 50 FJAA CC(C)c1cc(CN2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1 65527440 WBYNRZBJVMMNSP-GOSISDBHSA-N 363.461 4.555 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 101706276 VCTLNUYPMBPRDQ-MCZMQQNQSA-N 356.293 4.702 0 50 FJAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCCc2c(F)ccc(F)c21 119372463 OKFQZFFLOPNXKU-UHFFFAOYSA-N 354.356 4.521 0 50 FJAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc2ccc(F)cc2s1 263587249 DVDOVDDVBOHITR-OAHLLOKOSA-N 371.462 4.917 0 50 FJAA Cc1cc(=O)c(-c2noc(/C=C/[C@]3(C)CC[C@@H](C)C3(C)C)n2)c2n1CCC2 333854833 OHWVULYMJWRDKJ-SYKLMVBDSA-N 367.493 4.629 0 50 FJAA COCCN(Cc1ccccc1Cl)Cc1c[nH]nc1-c1cccc(F)c1 824405426 FVBFITMIARNTDT-UHFFFAOYSA-N 373.859 4.518 0 50 FJAA Cc1c(CN2CCC[C@@H](C(=O)c3cccs3)C2)[nH]c2ccc(F)cc12 826604309 XIKAAXUXPMZYMR-CQSZACIVSA-N 356.466 4.772 0 50 FJAA Fc1cc2c(c(CSc3cnccn3)c1)O[C@@H](c1ccccc1)OC2 1875261565 POAOSEUBZUXMCO-IBGZPJMESA-N 354.406 4.516 0 50 FJAA COc1ccc(-c2ccc(-c3nccn3C[C@@H](C)OC)c(C)c2)cc1F 2356146377 CRXXCKHARILPLQ-OAHLLOKOSA-N 354.425 4.708 0 50 FJAA CCCC(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1Cl 1141196 HOJCLCXZNHLFBN-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1196938 HWOAGCCCIMKBFQ-UHFFFAOYSA-N 371.415 4.608 0 50 FJAA COc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 2505840 JCJFIBGGDZZQAU-LBPRGKRZSA-N 358.507 4.742 0 50 FJAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 4834332 ROJYUGWKHIRYCK-HXUWFJFHSA-N 366.505 4.559 0 50 FJAA COc1ccc(NC(=S)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 12420977 OEAAQLGCAQRKIJ-UHFFFAOYSA-N 358.854 4.548 0 50 FJAA O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)c(F)c1 71770480 BJMDCLFIMLRUHE-UHFFFAOYSA-N 361.587 4.748 0 50 FJAA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(F)cc3)C2)s1 239869343 CYMMXAINFMCDQA-INIZCTEOSA-N 354.406 4.780 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1cnn([C@H]2CCCCO2)c1)C(C)C 426518800 NZAGEWGQINIICK-HXUWFJFHSA-N 355.482 4.508 0 50 FJAA C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl 671645 IDTIFXTUWLOZQC-CYBMUJFWSA-N 352.261 4.510 0 50 FJAA Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3nccs3)c2c1 1074202 SNIOZWCRTRATBK-UHFFFAOYSA-N 360.442 4.622 0 50 FJAA CCOc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 1100347 JDYAGTWBLSEGCQ-UHFFFAOYSA-N 369.442 4.678 0 50 FJAA Cc1c(C)c2ccc(OCc3ccc(Br)cc3)cc2oc1=O 1178268 BQKNTORLFILRDH-UHFFFAOYSA-N 359.219 4.751 0 50 FJAA Cc1cc(C)nc(SCc2nnc(SC/C=C/c3ccccc3)o2)n1 1802987 VPXPLLGCLBRBOG-RMKNXTFCSA-N 370.503 4.574 0 50 FJAA O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1 2954947 BNCYTSKTPIUHFK-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA OC1(OCCCOCc2ccccc2)c2ccccc2C=Cc2ccccc21 3132159 IZZMUIYBVMBWTJ-UHFFFAOYSA-N 372.464 4.987 0 50 FJAA CCCCCN1CCN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)CC1 4256638 HUJZSNGLURYPRD-UHFFFAOYSA-N 374.532 4.917 0 50 FJAA O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 4312507 UTOIMBUDMVVBPN-QFIPXVFZSA-N 369.399 4.966 0 50 FJAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 4632391 NMJUCCCUVVRRBA-SFHVURJKSA-N 367.836 4.542 0 50 FJAA Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1 5013854 RRZJGAZTGINHFZ-UHFFFAOYSA-N 357.432 4.968 0 50 FJAA CCOc1ccccc1-n1c(S)nnc1CSCc1ccccc1C 6393959 CUDSYIDSAKGSTM-UHFFFAOYSA-N 371.531 4.697 0 50 FJAA CCN(Cc1ccsc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 14959864 SUWSUGLRDCFDDU-LJQANCHMSA-N 360.542 4.664 0 50 FJAA C=C[C@](C)(C[C@@H](OCOC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)C(=O)CC 43762530 XPNSIXPLFJYLIN-BDRMCPCVSA-N 362.510 4.633 0 50 FJAA Clc1ccc(CN2CCN(c3ccccc3Cl)CC2)c(Cl)c1 55542923 LNKISEZORHPSAG-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA Cc1cn2cc(Cn3cnc(-c4ccccc4)c3-c3ccncc3)nc2s1 65403490 HOLZZEAURQCYBH-UHFFFAOYSA-N 371.469 4.678 0 50 FJAA O=C(c1csc([C@@H]2CCCO2)n1)N(Cc1ccoc1)C1CCCCC1 153291782 CJDVMKTYKIUCCD-KRWDZBQOSA-N 360.479 4.563 0 50 FJAA C[C@@H]1C[C@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)o1 239287484 CWPUUEVQCULTTL-SIVJFFJCSA-N 350.340 4.532 0 50 FJAA C[C@@H]1CCc2nc(NC(=O)CSCc3ccc(Cl)cc3)sc2C1 1353347804 NJZYYCFDYRXHBO-LLVKDONJSA-N 366.939 4.793 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(-c4ccco4)cc3)C1)CC2 1704312410 RJYJUNHIGWBFQF-HSZRJFAPSA-N 359.473 4.525 0 50 FJAA CC(C)c1ccc([C@H](O)COc2cccc(Oc3cnccn3)c2)cc1 2325742296 CLBORANVFJKFMB-HXUWFJFHSA-N 350.418 4.505 0 50 FJAA COc1ccccc1N1CCN(C2CCC(c3ccccc3)CC2)CC1 599027 LHDBCFYGEHRWTM-UHFFFAOYSA-N 350.506 4.544 0 50 FJAA CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 1121409 QZLKERNBLYGLAN-HNNXBMFYSA-N 354.450 4.711 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccccc3n2)cc1 1480383 QRSLRMNXWHIPIN-INIZCTEOSA-N 360.457 4.783 0 50 FJAA Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1Cl 2878271 JUCBTQDEAYMROI-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 6700704 ZXXPORNJBYGGIC-AEFFLSMTSA-N 361.489 4.760 0 50 FJAA CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 38858402 PPCREUSPRYUMPW-UHFFFAOYSA-N 350.462 4.518 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCCC[C@H]3c3ccccn3)c2c1 77503738 NUCVUWCDSAINHA-QFIPXVFZSA-N 359.473 4.868 0 50 FJAA Cc1ccc(-c2nc(C(=O)Nc3cc4cn[nH]c4cc3C)cs2)c(C)c1 170611489 NSKJPBARIZWUPE-UHFFFAOYSA-N 362.458 4.864 0 50 FJAA CCN(C(=O)COc1cc2cnccc2nc1C)c1cccc2ccccc12 225459581 IMURYYDUWUQMBX-UHFFFAOYSA-N 371.440 4.523 0 50 FJAA COc1cc(OC)c(CN2CCC[C@@H]3CCCC[C@H]32)cc1Br 230133022 HTDDXJUOHOGXSM-XJKSGUPXSA-N 368.315 4.621 0 50 FJAA O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 247759514 ZTRBOBVGGNZMJG-SXNKMHHDSA-N 358.485 4.875 0 50 FJAA Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N[C@H](C)Cc2cccs2)c1 534656968 OAKOUKQFZCSAJM-CYBMUJFWSA-N 365.502 4.685 0 50 FJAA COc1cc(NC(=O)[C@@H](C)c2ccc(C)cc2)ccc1NC(=O)CC(C)C 824596647 CEAXDLHZOHEWFQ-INIZCTEOSA-N 368.477 4.730 0 50 FJAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@H]1C=CCC1 1437524706 RSUNWIUCYNEDMT-KRWDZBQOSA-N 366.411 4.881 0 50 FJAA C[C@@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)c1cccc(Cl)c1 1463331104 GHJIPNAHQWYBHV-GFCCVEGCSA-N 355.800 4.678 0 50 FJAA Cc1cccc(COc2ccc([C@@H](C)NCCc3cn(C)nc3C)cc2)c1 1875256257 UOFVKOTUFKIJSB-GOSISDBHSA-N 363.505 4.509 0 50 FJAA O[C@H](CN[C@@H]1CCC[C@@H](c2ccccc2)CC1)Cc1cccc(Cl)c1 1875341674 BXRWCYPKDJHJFK-FCEUIQTBSA-N 357.925 4.950 0 50 FJAA C[C@]1(C2CCCCC2)CCN1C(=O)N[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21 1875408081 NYPKNASANVCXCW-ANTGDGSKSA-N 358.913 4.732 0 50 FJAA CCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Cl 692784 QETPYYZXLCJVFF-UHFFFAOYSA-N 352.217 4.847 0 50 FJAA O=C(Nc1ccc2ccccc2c1)c1cccc(NC(=O)C(F)(F)F)c1 910506 MPXYBNRISJKCRC-UHFFFAOYSA-N 358.319 4.593 0 50 FJAA CC(C)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(Br)c1 1141375 ORCRBCXBWGBDSZ-KBPBESRZSA-N 368.315 4.741 0 50 FJAA COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 1150195 DEJMEVCJSZYXHW-GFCCVEGCSA-N 363.866 4.554 0 50 FJAA CCOc1ccccc1-c1cc(C(=O)N2CCCCC2)c2ccccc2n1 1458776 NUZHVSCIMBTMNC-UHFFFAOYSA-N 360.457 4.927 0 50 FJAA OCc1cn(-c2ccc(F)cc2F)nc1-c1cc(F)c(Cl)cc1Cl 2544746 NZKJCYKZSOUOFW-UHFFFAOYSA-N 373.161 4.756 0 50 FJAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H](C)CC)c3C)C2)cc1 4911364 JRBGPVDIILVQAL-GUYCJALGSA-N 353.462 4.754 0 50 FJAA Cc1cccc(-c2noc(CN(C(=O)NC(C)(C)C)C3CCCCC3)n2)c1 7781684 HDWSOCJJOHQEOG-UHFFFAOYSA-N 370.497 4.688 0 50 FJAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(C/C=C/c2ccc(F)cc2)C1 12580664 DVUHVMAAXIQTMB-POTYOEOXSA-N 373.899 4.810 0 50 FJAA FC(F)(F)c1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 22860882 AVAXCWYVNPJHNB-WOJBJXKFSA-N 366.471 4.934 0 50 FJAA CC(C)(C)C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1cccnc1 55393285 WSLQAUMBBVFVTK-IBGZPJMESA-N 352.457 4.878 0 50 FJAA O=C(NCCSCc1cccc(Cl)c1)C1(c2ccc(F)cc2)CC1 92065675 YLROQIABFZWWIC-UHFFFAOYSA-N 363.885 4.560 0 50 FJAA CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239235493 WBIGAHOPUIDDCE-VNXMGFANSA-N 373.496 4.741 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccc(F)c(F)c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245256529 QOSKTUBJFPMFKX-IDZPTIGZSA-N 355.384 4.960 0 50 FJAA CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(C2CC2)c(F)c1 252479487 BGFAFZFLZYFAAF-UHFFFAOYSA-N 359.470 4.702 0 50 FJAA CC[C@H]1CC[C@@H](C)N(C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)C1 952845416 OZPGXNUDRPTPAY-MSOLQXFVSA-N 364.489 4.614 0 50 FJAA CC[C@@H](C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 952964173 QYRREDQGLRLHSZ-GFCCVEGCSA-N 359.882 4.783 0 50 FJAA CCCCOc1c(CN2CCC[C@@]3(CCC[C@H]3OC)C2)cccc1OC 1704298209 HGXRKLIMNRSRRD-IRLDBZIGSA-N 361.526 4.655 0 50 FJAA CCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 1408497 LWUOEVJICAQSQX-UHFFFAOYSA-N 358.869 4.981 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1940033 OYIUETZLBVDCLA-UHFFFAOYSA-N 371.502 4.963 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cc(C)c(C)s2)sc2c1CCCC2 2731113 VLEIRFLWIHVUSL-UHFFFAOYSA-N 363.504 4.734 0 50 FJAA Cc1cc(NC(=O)CSCc2ccccc2C)ccc1Br 2979010 ALBIWVSNWNPIJP-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA O=C(CSCc1ccccc1)NCCSCc1ccc(Cl)cc1 2985069 ULTUCCDSZZXCJC-UHFFFAOYSA-N 365.951 4.623 0 50 FJAA CCSc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 3105661 BSOMAJRCHDSGGT-UHFFFAOYSA-N 353.856 4.610 0 50 FJAA O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 5010146 MLZNFTXPYKBXJO-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA CC(=O)N1CCC(n2c(C3CCC3)nc3cc(C(F)(F)F)ccc32)CC1 11789338 SBKZWZBIENRPSP-UHFFFAOYSA-N 365.399 4.506 0 50 FJAA Cc1oc(-c2cccs2)nc1CN(C)Cc1nc2ccccc2s1 15074634 BICWLFDBVZUECR-UHFFFAOYSA-N 355.488 4.953 0 50 FJAA Cc1ccc(-n2c(S)nnc2CSCc2ccccc2F)cc1C 17074158 QQVUETCTDVXIHN-UHFFFAOYSA-N 359.495 4.745 0 50 FJAA CCCCOc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19633762 JACYSYOJIVWAMR-JXMROGBWSA-N 364.533 4.697 0 50 FJAA CCn1cc(Cn2cnc(-c3ccccc3)c2/C(C)=C/c2ccco2)cn1 65395151 WKBWZMAWPUTOIZ-SFQUDFHCSA-N 358.445 4.968 0 50 FJAA O=C(C[C@@H]1CCc2ccccc21)N(Cc1cccnc1)Cc1ccsc1 91745261 VMAYGVYCXHCHMX-FQEVSTJZSA-N 362.498 4.792 0 50 FJAA C[C@H](c1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)cc1)N1CCCC1 534574527 RXWOQHNHSXFVRG-MRXNPFEDSA-N 353.462 4.752 0 50 FJAA CCOC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(Cl)cc3)cc12 623916 CSURGAOZDQSPNY-UHFFFAOYSA-N 372.804 4.833 0 50 FJAA biogenic O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C(=O)c2ccccc2)o1 714234 PAKFUJHSCCEPFU-UHFFFAOYSA-N 359.303 4.782 0 50 FJAA COc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)cc1 781034 KPFZVSSEFHXTIE-UHFFFAOYSA-N 371.396 4.778 0 50 FJAA CCc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)cc1 1158524 ZJOUZTMZCVPWFK-CJLVFECKSA-N 368.436 4.889 0 50 FJAA COc1ccc(CNCC[C@@H](c2ccc(C)cc2)c2ccco2)cc1OC 2104054 QWWGMGVMIIWGCP-FQEVSTJZSA-N 365.473 4.917 0 50 FJAA biogenic Cn1nc(C(F)(F)F)c(CNc2cccc(C(F)(F)F)c2)c1Cl 4053821 VMCOUFIGWGXTRK-UHFFFAOYSA-N 357.685 4.723 0 50 FJAA C[C@H](c1ccccc1)n1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 6700702 ZXXPORNJBYGGIC-SJLPKXTDSA-N 361.489 4.760 0 50 FJAA C[C@@H](O)c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 7541157 JSNRTJISKFNOCF-MRXNPFEDSA-N 360.457 4.814 0 50 FJAA O=C(NC[C@H]1CCCN(C2CCCCC2)C1)c1cccc2ccccc12 12111868 TZKSYCGPKYQAPS-GOSISDBHSA-N 350.506 4.614 0 50 FJAA Cc1ccc(-c2nc(CN(C)Cc3nc(-c4ccccc4)no3)c(C)o2)cc1 67513642 MBMFQHVLZDTQHO-UHFFFAOYSA-N 374.444 4.640 0 50 FJAA CCn1nc(C)c([C@@H](C)NC(=O)CCc2ccc(-c3cccs3)o2)c1C 218982618 YWYAZPUKBOGLRZ-CYBMUJFWSA-N 371.506 4.651 0 50 FJAA c1ccc(C2CCC(CN3CCC(OC[C@H]4CCCO4)CC3)CC2)cc1 225450324 KGGVADKXESQGMO-POOLCLQXSA-N 357.538 4.620 0 50 FJAA CC(C)c1noc([C@@H](NCc2csc3ccccc23)C2CCOCC2)n1 328645376 ZPPYMHOUUQXIQE-SFHVURJKSA-N 371.506 4.665 0 50 FJAA Cc1cc(=O)c(-c2noc(C=C[C@@]3(C)CC[C@@H](C)C3(C)C)n2)c2n1CCC2 1857532174 OHWVULYMJWRDKJ-JLCFBVMHSA-N 367.493 4.629 0 50 FJAA COc1ccc(NC(=O)C[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1 892487 BTCKQCDLGKYRNK-HSZRJFAPSA-N 367.489 4.842 0 50 FJAA biogenic Cc1ccc(C)c(OCc2nc(-c3cccc(Br)c3)no2)c1 1069804 QDGSQNDAJAIWOD-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA O=C(O)c1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1 1216249 YXJPQLFPJJNNPL-UHFFFAOYSA-N 365.816 4.809 0 50 FJAA Cc1cc(OCCCCn2cnc3ccccc3c2=O)cc(C)c1Cl 2862946 UYTLTUAHFMMZAU-UHFFFAOYSA-N 356.853 4.526 0 50 FJAA C[C@H]1CC(C)(C)C[C@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1 4092771 QQLVXYUIIGTHTC-SGTLLEGYSA-N 371.399 4.951 0 50 FJAA C[C@H]1CN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 20168446 PKOPFZIVQYDYGY-PMACEKPBSA-N 367.533 4.891 0 50 FJAA CC(C)c1cc(NCc2cccnc2Oc2ccc(F)cc2F)ncn1 67743053 RENAAFFHHPFXRE-UHFFFAOYSA-N 356.376 4.678 0 50 FJAA O=C(Nc1cccc(CCC(F)(F)F)c1)c1cnc(O)c2ccccc12 241160593 JYLMPZAHHSDLHX-UHFFFAOYSA-N 360.335 4.688 0 50 FJAA c1ccc(C[C@@]23[C@H]4[C@H]5[C@H]6[C@H]7C[C@H]5[C@@H]2[C@@H]2C[C@@H]5[C@@H]7[C@@H]7[C@H]8[C@@H]([C@H]4[C@H]67)[C@H]3[C@H]2[C@@H]85)cc1 257358604 VGIIOXNEVDKDQW-HUYJDHJSSA-N 352.521 4.607 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)NCCCn2ccc3ccccc32)c(C)s1 426658368 MFZWGMPWFBMCIW-AWEZNQCLSA-N 370.522 4.507 0 50 FJAA CCOc1cc(C)c(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1C 1875296523 BKTUUAIHHVGCLW-UHFFFAOYSA-N 368.882 4.740 0 50 FJAA O=C(O[C@@H]1COC[C@H]1CC1CC1)c1ccc(OCC2CCCCC2)cc1 1875357842 YRDYNTLMJFGTTB-TZIWHRDSSA-N 358.478 4.618 0 50 FJAA C[C@H](CN(Cc1cc2cc(Cl)ccc2[nH]1)[C@@H](C)CO)c1ccccc1 2325855724 MOUZXHBGRWGJJU-CVEARBPZSA-N 356.897 4.808 0 50 FJAA CCC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 1066306 MBRZKDUMFABUPH-UHFFFAOYSA-N 374.362 4.892 0 50 FJAA Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 1111210 KQEOGLYWXQSNHQ-UHFFFAOYSA-N 358.850 4.982 0 50 FJAA CC(=O)c1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1 2858597 NJYHWIWEJZSSAC-UHFFFAOYSA-N 369.165 4.574 0 50 FJAA O=C(OCc1cccc(F)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 3105165 OXDUFBHUKXBOQN-UHFFFAOYSA-N 374.371 4.900 0 50 FJAA C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 5028108 RRFHAHDZWGJSII-UHSVVUDUSA-N 362.311 4.843 0 50 FJAA C[C@H](O)c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 7541152 JSNRTJISKFNOCF-INIZCTEOSA-N 360.457 4.814 0 50 FJAA CC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)s1 11934771 RJFNBYZQWYLTJQ-SFHVURJKSA-N 370.518 4.791 0 50 FJAA Cc1cc(NC(=O)c2sc3cc(Br)ccc3c2Cl)no1 13745879 WLPPIKVRHOZBOO-UHFFFAOYSA-N 371.643 4.866 0 50 FJAA CCC[C@H](C)c1nnc(NC(=O)N2CC=C(c3ccccc3)CC2)s1 19146678 PETKWXVGYJUCFP-AWEZNQCLSA-N 356.495 4.763 0 50 FJAA Cc1cccc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 19789970 IVTLASKJODHGSQ-UHFFFAOYSA-N 370.496 4.620 0 50 FJAA COc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)c1 35561779 YPBKBBUKUFQDJM-NRFANRHFSA-N 352.478 4.831 0 50 FJAA Cc1cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)ccc2o1 72432798 PEIZXURAWLSWLM-GOSISDBHSA-N 363.392 4.734 0 50 FJAA Cc1ccc(-c2c(C)sc3nc([C@@H]4CCO[C@@H](C)C4)[nH]c(=O)c23)cc1 225559705 QMNRYINLNNVNGV-SWLSCSKDSA-N 354.475 4.551 0 50 FJAA O=C(c1ccc(-c2cccs2)cc1)N1CCCC[C@H]1CCn1ccnc1 426496624 CYGDGMOWYWEDRM-IBGZPJMESA-N 365.502 4.697 0 50 FJAA C[C@@H](NC1CCN(Cc2ccco2)CC1)c1ccccc1C(F)(F)F 1529133741 FYWIYYOAMGBWPJ-CQSZACIVSA-N 352.400 4.614 0 50 FJAA Cc1ccc([C@H](NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)C(F)(F)F)o1 1875341752 GBBWZQRNJVQOAK-DKIBKTRYSA-N 353.340 4.737 0 50 FJAA CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1Cl 623223 QYKCULKXKOEAQF-UHFFFAOYSA-N 369.244 4.987 0 50 FJAA Cc1cccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCC3)c1 722368 YXZLEIGWGWUPHQ-UHFFFAOYSA-N 356.491 4.782 0 50 FJAA CCN(CC)c1ccc(NC(=O)c2cccc(Br)c2)c(C)c1 1119939 JQHOSMZQUFSNTI-UHFFFAOYSA-N 361.283 4.856 0 50 FJAA Cc1c(OCc2ccc(F)cc2F)ccc2c3c(c(=O)oc12)CCCC3 1132297 DTSKGFIRCHKYTC-UHFFFAOYSA-N 356.368 4.837 0 50 FJAA COc1cccc(OC)c1OCCOc1c(C)cc(Cl)cc1Cl 2983838 LOZHXWFFLFOAIY-UHFFFAOYSA-N 357.233 4.777 0 50 FJAA CCOc1ccc(OCCOc2ccc(Br)cc2Cl)cc1 2984301 OZEPKZKLFABWQG-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Br 2998282 GMSGUDRQGQFXOP-UHFFFAOYSA-N 358.594 4.503 0 50 FJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCCCC1 4384541 KUAVLKJGGKNWAK-UHFFFAOYSA-N 361.873 4.707 0 50 FJAA COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Cl 5092286 GNLYEYZHXAUONP-UHFFFAOYSA-N 358.594 4.503 0 50 FJAA Sc1nnc(CCn2c3ccccc3c3ccccc32)n1-c1ccccc1 5857787 LLHMLRQHWSGIPZ-UHFFFAOYSA-N 370.481 4.907 0 50 FJAA Cc1ccc(C2=NN(C(=O)c3cccnc3)[C@H](c3ccc(F)cc3)C2)cc1 6697938 OWYDPCQDTMQOPE-NRFANRHFSA-N 359.404 4.521 0 50 FJAA COc1ccc(-n2c([C@@H]3C[C@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 7275915 QKLMFWKDGOWBSV-JKSUJKDBSA-N 357.866 4.863 0 50 FJAA CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(Cl)c(Cl)c1 11903320 IHZDULACKCQJPT-ZDUSSCGKSA-N 356.278 4.601 0 50 FJAA O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1c1cccs1 15837593 MXZBJLQTOCOJQR-ZDUSSCGKSA-N 351.269 4.880 0 50 FJAA Cc1ccccc1NCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 22022950 VAPXQTWFWRXBJI-TYUKPDHWSA-N 350.443 4.657 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)cc1 77453523 ACZHQARTWWVWFJ-HSZRJFAPSA-N 373.500 4.664 0 50 FJAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@H]3CCCC[C@H]32)c1 120105200 HJLCXIUIIDBBHL-CXAGYDPISA-N 363.889 4.875 0 50 FJAA CSc1ccc2ncnc(N[C@@H](CC(=O)O)CC3CCCCC3)c2c1 2325852144 URYFZUFBAYXDSV-CQSZACIVSA-N 359.495 4.577 0 50 FJAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 1056794 SQCOWKNOWFCSAL-UHFFFAOYSA-N 368.502 4.723 0 50 FJAA CC(=O)Nc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 1066492 CGTKSKIMAHXKFP-UHFFFAOYSA-N 358.441 4.683 0 50 FJAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1ccc2ccccc2c1 1140734 IOGMGMRVVREPKW-UHFFFAOYSA-N 355.441 4.824 0 50 FJAA O=S(=O)(Nc1cnc2ccccc2c1)c1ccc2c(c1)Cc1ccccc1-2 1140873 CZNOCTZEVKFFKA-UHFFFAOYSA-N 372.449 4.607 0 50 FJAA CC(C)C(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 1255663 DSKDAXRQBYRONV-UHFFFAOYSA-N 359.223 4.852 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 2187589 NNBZOGGSUKLWPO-UHFFFAOYSA-N 369.461 4.586 0 50 FJAA COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc1 2981241 AVZSFPNYOIZMAJ-UHFFFAOYSA-N 350.802 4.830 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 4809726 MGGDMZQRJLXSIJ-UHFFFAOYSA-N 357.413 4.652 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccc(Cl)cc1 4809868 YNUNRNPMPAILSP-KPKJPENVSA-N 359.816 4.605 0 50 FJAA CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=N)oc2c1 6517601 SAOFTHMAWXKAET-UHFFFAOYSA-N 363.461 4.628 0 50 FJAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 11945283 GBUVNQBCXRVLFU-XMMPIXPASA-N 370.500 4.711 0 50 FJAA CN(Cc1ccno1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 12054087 NFSHGDRINJOBTQ-UHFFFAOYSA-N 364.493 4.755 0 50 FJAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1ccc2[nH]c(C)nc2c1 97463481 XXQRGMVLBNNDOJ-UHFFFAOYSA-N 355.869 4.967 0 50 FJAA O=C(c1c[nH]nc1-c1ccccc1F)N1CCCCC[C@H]1c1ccco1 97575000 FOYQMOYFHPREBP-KRWDZBQOSA-N 353.397 4.566 0 50 FJAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1NC(=O)C1[C@H]2CCCC[C@H]12 247993054 NWCBYUQVZYGLIH-MUPNANLLSA-N 366.505 4.744 0 50 FJAA Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1cccc(Cl)c1 261490564 JAUNVJPXEYSXAP-UHFFFAOYSA-N 354.841 4.605 0 50 FJAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)c2ccccc21 285678456 PXWCOIPOKXCQPD-WMLDXEAASA-N 370.518 4.855 0 50 FJAA CCN1CCCC[C@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1 299757098 MQEIIOFFKNRMKH-FQEVSTJZSA-N 368.546 4.680 0 50 FJAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 412264934 BPQKUZHCWSHYFC-URVUXULASA-N 371.484 4.934 0 50 FJAA 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 498049500 YGKSWRFCMZRVMU-WLNPFYQQSA-N 374.521 4.624 0 50 FJAA O=C(O)c1c(N2CC[C@@H]3CCCC[C@@H]3C2)noc1-c1ccc(Cl)cc1 1704330571 XVPFKRAOJZDHJA-GXTWGEPZSA-N 360.841 4.710 0 50 FJAA O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2csnn2)cc1 1875388359 YGNVXLSPSMZVNV-UHFFFAOYSA-N 354.475 4.578 0 50 FJAA C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC(=O)c1ccc(-c2ccccc2CN)cc1 2325829598 NTADPHPPPJXFSX-IQMFZBJNSA-N 374.459 4.615 0 50 FJAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 2325879118 IRWSWZVOSJAMPJ-UHFFFAOYSA-N 367.898 4.890 0 50 FJAA C[C@@H]1CN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C[C@@H](C)O1 639697 BHSQKRRRFNEPQQ-VXGBXAGGSA-N 359.882 4.625 0 50 FJAA O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 995055 UAQXRVALMCKSSS-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)[C@@H]1CCCO1 1054799 PXYYJIGCCCPTGY-INIZCTEOSA-N 350.443 4.595 0 50 FJAA C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 1063371 QEVVPUIGWYHEFR-ZDUSSCGKSA-N 364.308 4.560 0 50 FJAA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C 1111831 BTZDXKMMGPBSHQ-UHFFFAOYSA-N 353.871 4.581 0 50 FJAA CCC(=O)N(c1ccccc1)C1CCN([C@H](C)Cc2cccs2)CC1 1850108 YPOXDUYRRSUFFG-QGZVFWFLSA-N 356.535 4.587 0 50 FJAA in-man C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)C1 2412887 ROWKXAAHFUHOGZ-IJEWVQPXSA-N 369.896 4.525 0 50 FJAA CCn1ncc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)c1C 2733639 BFQAGJLYFTUVKV-UHFFFAOYSA-N 367.403 4.858 0 50 FJAA CCOCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 2866155 VSSAKZJKKCFDEN-UHFFFAOYSA-N 351.849 4.574 0 50 FJAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 4912556 VHYFVBWYHQWNFZ-AAEUAGOBSA-N 359.853 4.845 0 50 FJAA Cc1ccc(-n2c(S)nnc2CSCc2ccc(F)cc2)cc1C 6401106 RHSBYUMWFRYICV-UHFFFAOYSA-N 359.495 4.745 0 50 FJAA O=C(O)c1cc(/C=C/c2ccc(Br)cc2)nc2ccccc12 6430579 XHVJCKMXCFSKNT-JXMROGBWSA-N 354.203 4.866 0 50 FJAA C[C@H]1[C@@H]2CCCN2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 22078184 QZDKTMYGVONXAB-JXFKEZNVSA-N 358.570 4.656 0 50 FJAA CCc1ccc(-c2c(-c3ccccc3)ncn2[C@H](C)c2cnn(C)c2)nc1 65428949 IWRCHLYMARSYAK-MRXNPFEDSA-N 357.461 4.517 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N(Cc3ccc(O)cc3)C3CC3)c2c1 95522497 FWSIPFDSLQITSI-UHFFFAOYSA-N 360.457 4.670 0 50 FJAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCCCC[C@H]1c1ccncc1 120558786 JAMGOBDMLPNZNV-SFHVURJKSA-N 371.868 4.819 0 50 FJAA O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CCC(F)(F)CC1 178952578 GHTUPNUNERYWGJ-UHFFFAOYSA-N 359.420 4.650 0 50 FJAA Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2n1 303165284 IHEOAJDISSXHFJ-UHFFFAOYSA-N 367.257 4.651 0 50 FJAA Cc1nc2cc(-c3ccc(C(=O)N(C)C4CCOCC4)cc3)ccc2s1 426678212 WPJQXOMUQCHESS-UHFFFAOYSA-N 366.486 4.523 0 50 FJAA Cc1cc2ncn(CC(=O)N3CCC[C@H]3c3cccc(Cl)c3)c2cc1C 2325871756 YAAVBOIWZUVIII-IBGZPJMESA-N 367.880 4.670 0 50 FJAA O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccccc1 647232 VZCLDAVPKVXZIX-UHFFFAOYSA-N 372.493 4.780 0 50 FJAA Cc1cccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)c1 671731 FARPHHSGHSTETM-UHFFFAOYSA-N 353.425 4.535 0 50 FJAA NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2ccccc2c1 952981 AKVQGEWNNBFKCO-UHFFFAOYSA-N 372.449 4.920 0 50 FJAA Fc1ccc(OCCn2c(COc3ccccc3)nc3ccccc32)cc1 1071973 BGPTZZCBBLLBAJ-UHFFFAOYSA-N 362.404 4.833 0 50 FJAA O=c1oc2cc(OCc3ccc(F)cc3F)c(Cl)cc2c2c1CCC2 2841417 MLLRJVUTZHYNMN-UHFFFAOYSA-N 362.759 4.792 0 50 FJAA C[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 13329951 ILEGVMCTIHBIEC-SNVBAGLBSA-N 367.232 4.647 0 50 FJAA C[C@@H]1CN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 20168242 HJWZZUDNWVQXHL-RTBURBONSA-N 353.506 4.501 0 50 FJAA O=C(c1ccccn1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71479583 GMIZOTOOIKJHJN-MRXNPFEDSA-N 362.395 4.585 0 50 FJAA Cc1nc(O)cc(C2CCN(Cc3ccc(C4CCCC4)s3)CC2)n1 72137278 TYJMXYZGLVBMSL-UHFFFAOYSA-N 357.523 4.589 0 50 FJAA C[C@@H](CN(C)CCc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 100817610 IRQLUPGLMPPWEH-BKMJKUGQSA-N 373.540 4.928 0 50 FJAA Cc1ccc(S[C@H](C)C(=O)NC2CCN(c3cccc(C)c3)CC2)cc1 219032085 LKYBSNQBAHSXAU-GOSISDBHSA-N 368.546 4.569 0 50 FJAA CCC(=O)c1cccc(-c2cccc(C(=O)N(C)C[C@H]3CCCCO3)c2)c1 426470599 KKVIXOJRTCWZFY-OAQYLSRUSA-N 365.473 4.587 0 50 FJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2c[nH]ccc2=N)cc1 426566851 GXIJALFKAPFZSJ-JOCHJYFZSA-N 374.488 4.560 0 50 FJAA c1ccc(Oc2ccc(CSc3ncnc4ccsc34)nn2)cc1 497999214 SWVNZMDFVJVDDM-UHFFFAOYSA-N 352.444 4.566 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NC3[C@@H]4CCCC[C@@H]34)c2c1 1875263947 DNJONCLFKYWJBZ-IAGOWNOFSA-N 357.457 4.524 0 50 FJAA O=C(Nc1ccccc1NC(=O)NC1CCCCC1)NC1CCCCC1 637750 RVIIJPOKNODJMF-UHFFFAOYSA-N 358.486 4.595 0 50 FJAA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OCc2ccccc2)c1 842313 JCEXNYJYSCETNN-STZFKDTASA-N 373.383 4.749 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)c(Cl)c1 1088601 ASTIGNAJNKNPDX-UHFFFAOYSA-N 361.228 4.887 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 1094376 HWLVTOWXWFQYEV-UHFFFAOYSA-N 373.412 4.929 0 50 FJAA CCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1174609 DTHMPHDHSWBNNY-UHFFFAOYSA-N 365.498 4.640 0 50 FJAA Cc1c(OCc2c(F)cccc2Cl)ccc2c3c(c(=O)oc12)CCC3 4746050 HLGJFTYRLCPUOB-UHFFFAOYSA-N 358.796 4.962 0 50 FJAA CCCc1cc(=O)oc2cc(OC(=O)c3ccc(C)cc3)c(Cl)cc12 4820888 VPAHZGKPCGKLNT-UHFFFAOYSA-N 356.805 4.927 0 50 FJAA CCn1ncc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c1C 12441910 URKWGAOENROFBU-IBGZPJMESA-N 367.537 4.604 0 50 FJAA CC(C)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 12710012 XZRYNCQVXBPIBX-LJQANCHMSA-N 361.489 4.894 0 50 FJAA Cc1cccc2c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc(-c3cccnc3)nc12 18142371 BBTZYVJHHXTJPJ-IYBDPMFKSA-N 359.473 4.723 0 50 FJAA CC(C)C[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 34884346 PFFIDZXUXFLSSR-SNVBAGLBSA-N 359.417 4.902 0 50 FJAA in-vitro FC(F)(F)c1cccc(Cc2noc(COc3cccc4[nH]ccc34)n2)c1 72151697 XCKKOTXWDPFUOZ-UHFFFAOYSA-N 373.334 4.740 0 50 FJAA CC(C)c1nc(CN(C)C(=O)c2ccc(-c3ccc(O)cc3)cc2)cs1 77341383 WFHHTQUJGYOLSP-UHFFFAOYSA-N 366.486 4.911 0 50 FJAA O=C1C[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccc2ccccc2c1 95482928 DIDUOUNEHXSQTE-QFIPXVFZSA-N 366.420 4.737 0 50 FJAA COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(-c2ccccn2)c1 131920470 SJWPVMMNOTVIKL-UHFFFAOYSA-N 368.820 4.672 0 50 FJAA Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccncc3Cl)s2)cc1 170646512 YWZITLBAVJDAJL-LBPRGKRZSA-N 371.893 4.966 0 50 FJAA CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 638659 SZRSJKXICOEKPG-UHFFFAOYSA-N 366.230 4.729 0 50 FJAA CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 810600 HTSZZJURMSEGPF-UHFFFAOYSA-N 354.793 4.811 0 50 FJAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 1175714 QKBJQRHITUSALY-UHFFFAOYSA-N 365.241 4.866 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1230399 QHBTYLSYDUWOCH-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA COc1ccc(O[P@@](C)(=O)Nc2ccccc2Br)cc1 1232643 SBBBJTZPLAGIBL-HXUWFJFHSA-N 356.156 4.772 0 50 FJAA Cn1c2ccccc2c2nnc(SCc3c(F)cccc3Cl)nc21 1445881 BZDNDRPMLCERNL-UHFFFAOYSA-N 358.829 4.601 0 50 FJAA CCCOc1ccc(C(=O)Nc2sc(CC)cc2C(=O)OCC)cc1 2753318 CTJGSTTYSSMUCN-UHFFFAOYSA-N 361.463 4.528 0 50 FJAA Cc1ccc(C(=O)N/C(=C/c2ccccc2F)c2nc3ccccc3[nH]2)cc1 4755778 JWFWEFKJDAKLKM-KGENOOAVSA-N 371.415 4.939 0 50 FJAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCC(C)C)c3C)C2)cc1 4911313 GRDVKRFHABPMIL-KRWDZBQOSA-N 353.462 4.611 0 50 FJAA COC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc(C)c1C 7637092 JNZQPKBOCVWOON-UHFFFAOYSA-N 354.884 4.614 0 50 FJAA COc1ccc(CNc2ccc(-c3ccc(Br)cc3)nn2)cc1 20722613 PYEOMYIVRADDAV-UHFFFAOYSA-N 370.250 4.527 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ccc(F)cc1 21791521 VVRCPHDHSYEJKN-SFHVURJKSA-N 354.356 4.597 0 50 FJAA CSCC[C@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)O 170612815 CMMLEIBAOFRQEL-AWEZNQCLSA-N 374.289 4.549 0 50 FJAA CC(C)c1c(NC(=O)c2c[nH]nc2C2CC2)cnn1-c1ccc(Cl)cc1 192161712 NQBSVZAJSRAVFG-UHFFFAOYSA-N 369.856 4.502 0 50 FJAA Cc1ccc(-c2nnc(N(Cc3ccco3)Cc3cccs3)n2C)s1 225688429 HEJZWRPHJYGHGH-UHFFFAOYSA-N 370.503 4.713 0 50 FJAA Cc1nc(C)c(-c2cccc(C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)c2)s1 426477212 LBAOKUUKUOEFQW-FDCRZUCXSA-N 352.503 4.545 0 50 FJAA O=C1NCCCN1c1cc(NCc2cccc3ccsc23)ccc1F 1875336976 MIHKUFBOIVUEAS-UHFFFAOYSA-N 355.438 4.572 0 50 FJAA O=C(c1ccccc1)C1CCN(c2nc3cc(F)c(F)cc3s2)CC1 1875341530 WSYHFQQTQNIRCM-UHFFFAOYSA-N 358.413 4.674 0 50 FJAA Cc1cc(F)cc(C2(F)CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)c1 2325703427 PZLYGGZFEHYXLA-CQSZACIVSA-N 357.391 4.747 0 50 FJAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(N)=O)C1 688711 HFYXMMOTJXUTQM-LBPRGKRZSA-N 374.506 4.542 0 50 FJAA Cc1c(C(=S)Nc2ccccc2)cnn1-c1ccc(Br)cc1 728357 QIOKLOIWICACEG-UHFFFAOYSA-N 372.291 4.731 0 50 FJAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCc2ccccc21 1068709 XWHDRNXRRIPHAX-UHFFFAOYSA-N 373.518 4.659 0 50 FJAA COc1cc(Br)c(CNc2ccc(F)c(Cl)c2)cc1OC 1225371 BXSTVLXDKSOSDX-UHFFFAOYSA-N 374.637 4.871 0 50 FJAA Nc1nc(Cc2ccccc2)nc(Cc2ccccc2)c1-c1ccccc1 1673516 YYHHGERFHBNSHG-UHFFFAOYSA-N 351.453 4.907 0 50 FJAA in-vitro Fc1ccc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1 2873178 SUKWNLQKPJSZEO-UHFFFAOYSA-N 365.220 4.966 0 50 FJAA CCOc1cc(CO)cc(Cl)c1OCc1ccc(Br)cc1 4893850 HUXPXOGCEIUKDO-UHFFFAOYSA-N 371.658 4.573 0 50 FJAA 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 5752284 GPLGAQQQNWMVMM-FEFJCXPLSA-N 356.598 4.810 0 50 FJAA biogenic,in-vitro COc1ccc(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)cc1 7572488 XDHGGTCWZZXKQK-UHFFFAOYSA-N 374.444 4.774 0 50 FJAA COc1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)s2)cc1 9172479 CDNNUTBVJDVQGD-UHFFFAOYSA-N 361.426 4.619 0 50 FJAA Cc1c([C@@H](C)NCc2ccccc2OC(F)F)cnn1-c1ccccc1 15076034 PFEMJGKEPISYJY-CQSZACIVSA-N 357.404 4.633 0 50 FJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C 44856370 WPHKZJQKHTZEGG-SFHVURJKSA-N 368.496 4.532 0 50 FJAA C[C@@](O)(c1cccc(Br)c1)[C@H](c1ccccc1)c1ccccn1 71767174 SRVOWSGHWXFHJP-WOJBJXKFSA-N 368.274 4.884 0 50 FJAA Cc1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)ccc1N1CCCC1=O 820709776 JMACSJWKNSWEDK-OAQYLSRUSA-N 350.462 4.500 0 50 FJAA Cc1ccc(F)cc1C(=O)N1CCC(C2CCN(C3CCCC3)CC2)CC1 1857721133 ALGBKVZMABZZJH-UHFFFAOYSA-N 372.528 4.641 0 50 FJAA O=C(COc1cccc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 629866 ULUWHLUNAZQPHF-UHFFFAOYSA-N 367.832 4.937 0 50 FJAA CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Br)cn2)cc1 1061728 HHOHIGJJPUHAFF-CYBMUJFWSA-N 361.283 4.785 0 50 FJAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(F)c3)cc12 1297080 GCOHUBDARBBQTF-UHFFFAOYSA-N 351.406 4.787 0 50 FJAA C[C@@H](NC(=O)c1cccs1)c1ccc(OC(=O)c2cccs2)cc1 1423587 ITIAVNDLJKOUAN-GFCCVEGCSA-N 357.456 4.520 0 50 FJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCCc1ccccc1 2739929 PLCFJKFGAYSKKF-CQSZACIVSA-N 366.288 4.900 0 50 FJAA O=C(Nc1ccc2ccccc2c1)c1ccc(Cn2cc(Cl)cn2)cc1 2763505 JJRNDSFVEUYCDU-UHFFFAOYSA-N 361.832 4.990 0 50 FJAA CCOC1=N[C@@H]2Nc3cc4ccccc4cc3N(C)[C@@H]2[C@@H]1c1ccccc1 4982351 WRHKCHDZUOOKER-BDTNDASRSA-N 357.457 4.629 0 50 FJAA Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 5069055 SLEHFIKPKJBDBI-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA Cc1occc1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5484049 WPFPCMNNHMHPJD-UHFFFAOYSA-N 365.433 4.613 0 50 FJAA Cc1cccc2cc(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)oc12 67821120 KPBNCELTYSADIS-SFHVURJKSA-N 355.821 4.608 0 50 FJAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1ccc2cccc(F)c2n1 91427146 QUVJOTDKMXOMLH-AWEZNQCLSA-N 374.419 4.597 0 50 FJAA CCCC[Sn](CCCC)(CCCC)c1cncnc1 169745201 QRDQHTJNKPXXRQ-UHFFFAOYSA-N 369.141 4.533 0 50 FJAA CC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@H]1C 426484466 MPXWOAZCMKXUFC-OAHLLOKOSA-N 374.887 4.701 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)CC[C@H]2CCCCN2C)cc1 431504767 GWQBRGXNFQBVPC-GOSISDBHSA-N 368.477 4.691 0 50 FJAA CCNC(=O)c1cccc(CN[C@@H]2CC(C)(C)CCc3ccccc32)c1 436282751 JXZZHINPLWIJJB-OAQYLSRUSA-N 350.506 4.630 0 50 FJAA CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2Cl)C1 464772950 JUNCLLZLBHYPGL-QWHCGFSZSA-N 361.338 4.538 0 50 FJAA CCOc1ccc(F)c(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1F 952832092 UKZNXLAESRNDCY-KRWDZBQOSA-N 350.409 4.572 0 50 FJAA O=C(NC1C[C@@H]2[C@@H](C1)C2(F)F)N1CC=C(c2cccc3ccccc23)CC1 1347192802 DSFOGWHLCSWVIO-WOJBJXKFSA-N 368.427 4.682 0 50 FJAA CCOc1ccc(CN2CCCN(Cc3cccs3)CC2)cc1Cl 1506426553 HYQNNVCACKKDPP-UHFFFAOYSA-N 364.942 4.508 0 50 FJAA C[C@@H](CNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 2325744012 SXYCSGWLDWSJSI-GISMPUHYSA-N 374.528 4.840 0 50 FJAA CC[C@H](C)Oc1cccc(NC(=O)c2ccccc2N2CCCCC2)n1 2325872101 HYSGTIKKROWYOT-INIZCTEOSA-N 353.466 4.502 0 50 FJAA COc1ccc2oc(=O)c(-c3cnc(Nc4ccccc4C)s3)cc2c1 975488 DJACNKWBTZHXET-UHFFFAOYSA-N 364.426 4.977 0 50 FJAA O=C(NC1CCCC1)c1cccc(COc2ccccc2Br)c1 2753080 YUSQLJRKFZWRQO-UHFFFAOYSA-N 374.278 4.701 0 50 FJAA COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1Cl 2847201 XFCXQNLBRJLCGA-UHFFFAOYSA-N 358.869 4.837 0 50 FJAA O=C(NC1CCCCC1)c1cc(NC(=O)C2CCCCC2)ccc1Cl 9231027 ZPZBSVQLWLTBAC-UHFFFAOYSA-N 362.901 4.921 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2c1 17074151 WHNKWHSARDHGAS-CALCHBBNSA-N 359.473 4.723 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 36620328 FEWYLGWEVGLAEH-LJQANCHMSA-N 352.434 4.541 0 50 FJAA C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccn(C3CCCC3)n2)C2CC2)o1 130619936 XRCVGPXJAATXFB-KBXCAEBGSA-N 353.466 4.519 0 50 FJAA O=C(c1cccnc1Nc1cccc(F)c1)N1CC[C@@H]1c1ccccc1F 170652118 LQOJEZYTQRKFRZ-LJQANCHMSA-N 365.383 4.691 0 50 FJAA Cc1cc(C)n(Cc2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)nc2)n1 426719781 CFJBTEPEPFKJTK-IBGZPJMESA-N 360.505 4.767 0 50 FJAA C/C(=C\C(=O)N[C@@H]1CCCC12CCOCC2)c1ccc(C(F)(F)F)cc1 800198325 QDRLHJZPLVUEEI-TUQDCPSNSA-N 367.411 4.574 0 50 FJAA Cc1ccccc1C[C@H](CO)CN[C@H](CCC(C)C)c1cnccc1C 2325842088 NZHAXZZMEVSPOQ-NZQKXSOJSA-N 354.538 4.617 0 50 FJAA Cc1nc2c(Cl)cccc2c2c1C[C@@H]([C@@](C)(Cl)Br)O2 759538 MULZKSKWAMYURR-SMDDNHRTSA-N 361.066 4.850 0 50 FJAA CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)[C@H](C(=O)O)C1 971759 MBSZQOGOVMXQJX-QZTJIDSGSA-N 363.413 4.972 0 50 FJAA O=C(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 2555718 QFLUPJLSLJIZJW-UHFFFAOYSA-N 365.043 4.646 0 50 FJAA CC(C)(C)OC(=O)n1cc(C=O)c2cc(OCc3ccccc3)ccc21 2563725 YPZYCNKLMGEYBE-UHFFFAOYSA-N 351.402 4.816 0 50 FJAA in-vitro O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(F)cc1F 2999397 XEKILKOIGWFFAN-UHFFFAOYSA-N 366.578 4.943 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 4806308 ZNHBWRSMVMIORE-VRHCTWJESA-N 369.436 4.720 0 50 FJAA COc1cccc(-c2cn[nH]c2C2CCN(Cc3ccc(C)cc3)CC2)c1 12246424 HZLXXNAUWXFRSF-UHFFFAOYSA-N 361.489 4.773 0 50 FJAA CCN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 12404434 ZBHZNDPWALUEQG-UHFFFAOYSA-N 362.404 4.745 0 50 FJAA CCn1cc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c(C)n1 20602786 PZFAPYBWKONYKE-UHFFFAOYSA-N 371.366 4.689 0 50 FJAA CC(C)C[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 34884347 PFFIDZXUXFLSSR-JTQLQIEISA-N 359.417 4.902 0 50 FJAA in-vitro CC/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\CCC(=O)O 34961960 OAZUCYZBXHOCES-RQQXGUOYSA-N 362.510 4.715 0 50 FJAA in-vitro FC(F)(F)c1cccc(N2CCN(Cc3ccnc4ccccc34)CC2)c1 55142255 PFRFZHSKRFXWJV-UHFFFAOYSA-N 371.406 4.576 0 50 FJAA CCN(CC)C(=O)c1c(C)c(-c2cnn(C(C)C)c2)nc2ccc(C)cc12 63857436 FSNFLVXHIZFSJV-UHFFFAOYSA-N 364.493 4.778 0 50 FJAA Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)ncn2CCc2cnccn2)o1 65374504 KHRCCNVXBMAHSH-KRWDZBQOSA-N 372.472 4.830 0 50 FJAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@@H]3c3nccs3)[nH]c12 91444458 IZSURSFUKAEQDZ-OAHLLOKOSA-N 353.491 4.917 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1C 100295168 YTMFUJMILRNSCU-OBJYKIKGSA-N 373.452 4.797 0 50 FJAA C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN(C2CCC(c3ccccc3)CC2)CC1 100648056 ULGPPVIOBMVUAF-KQUSKLPNSA-N 350.550 4.543 0 50 FJAA FCCCCCN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704299261 HDCTZRAGGHYZLP-JOCHJYFZSA-N 353.485 4.563 0 50 FJAA CN(Cc1ccccc1N1CCCCC1)C(=O)c1c(F)cccc1Cl 1875254768 KMUJKVPYURYBGA-UHFFFAOYSA-N 360.860 4.742 0 50 FJAA CCOc1ccc(NC(=O)N2CCc3occc3[C@H]2c2ccccc2)cc1 1875288583 NJAXLDCKONKQMC-OAQYLSRUSA-N 362.429 4.858 0 50 FJAA CO[C@H]1CC[C@H](NC(=O)C[C@H](c2ccccc2)c2ccccc2Cl)CC1 2356154707 GZAPQIPFKFMFPT-QWFCFKBJSA-N 371.908 4.936 0 50 FJAA CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1 1130905 GWMWMWFRQSOMEW-UHFFFAOYSA-N 365.454 4.665 0 50 FJAA COc1cc(OC)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 1203953 RNPHXETWXKECFO-UHFFFAOYSA-N 360.624 4.916 0 50 FJAA O=C(Cc1ccccc1)NCCSCc1c(Cl)cccc1Cl 2813169 WRKGWUYLHBFYOL-UHFFFAOYSA-N 354.302 4.586 0 50 FJAA O=C1CS[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 2939858 VCKWUMGKJALCBP-MRXNPFEDSA-N 368.241 4.501 0 50 FJAA O=C(NCCOc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 4813491 WNXRNCVPDMXYKL-UHFFFAOYSA-N 365.473 4.556 0 50 FJAA COc1ccc(Nc2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 4909747 FVBYQRXWJGHBRT-UHFFFAOYSA-N 361.445 4.659 0 50 FJAA CCn1nc(C)c(CN2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)c1C 12429841 FRQWYIAZDFODCW-NRFANRHFSA-N 354.542 4.720 0 50 FJAA Fc1cccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 13330928 VPLJUPOCMSTICZ-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA Cc1ccc(NC(=O)N2CCC(CO)(CCc3ccccc3)CC2)c(C)c1 14967731 KFRHZEQACNYQIE-UHFFFAOYSA-N 366.505 4.543 0 50 FJAA Cc1ccc2c(c1)CN(C(=O)CCCc1ccc(Cl)cc1)C[C@@H](C)O2 14994197 FZNCFIYQVMQMGE-MRXNPFEDSA-N 357.881 4.781 0 50 FJAA Cc1cccc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 77505226 OWIIQMYQLHXUEB-SFHVURJKSA-N 363.436 4.544 0 50 FJAA Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1nc(C2CC2)no1 119453080 NRQKNFBXWMRPDH-ZDUSSCGKSA-N 354.479 4.572 0 50 FJAA CC1=NN(c2ccc(C(=O)NC(C)(C)c3cccc(Cl)c3)cc2)CC1 170634229 RBMMWAPTTALSPI-UHFFFAOYSA-N 355.869 4.591 0 50 FJAA CC(C)N(C)c1ccc(NC(=O)N2CCS[C@@H]3CCCC[C@H]32)cc1F 230126947 HLVQLZJRZVGRLA-QZTJIDSGSA-N 365.518 4.562 0 50 FJAA CCCc1nc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cs1 1857737403 KVEFGRQMYVWIFZ-ZWKOTPCHSA-N 372.534 4.724 0 50 FJAA Cc1c(O)ccc(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c1C 1875342344 LZLJTYBLKWAHJD-QFIPXVFZSA-N 357.453 4.949 0 50 FJAA O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(Cl)cc1Cl 678332 UMHZVVCYPGQFBZ-UHFFFAOYSA-N 364.253 4.856 0 50 FJAA COc1cccc(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 817606 JCVNBOMGPHVQPL-UHFFFAOYSA-N 364.445 4.517 0 50 FJAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 1133432 MQLCHUQCBGZBIT-UHFFFAOYSA-N 350.340 4.552 0 50 FJAA O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)Nc1ccccc1 1134749 HAIUOWSJRRMGRA-NTCAYCPXSA-N 360.388 4.730 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 2322444 WGYUPTYTCBHOIJ-UHFFFAOYSA-N 374.466 4.922 0 50 FJAA CC(=O)O/C(=C(\I)c1ccccc1)c1ccccc1 2519556 REGIQBRSTNKKDQ-NXVVXOECSA-N 364.182 4.511 0 50 FJAA Cc1ccc(O)c([C@@H](CC(=O)N(C)Cc2ccccc2)c2ccccc2)c1 2849545 WKNGEHJBBWPHMQ-NRFANRHFSA-N 359.469 4.881 0 50 FJAA CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 2858254 FJRWZJAOZAZXHV-UHFFFAOYSA-N 352.478 4.766 0 50 FJAA CCCCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 2914959 HRTZUEDUUJOKNT-MRXNPFEDSA-N 370.503 4.995 0 50 FJAA COc1cccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)c1 3907971 RQPOJLOGLIDFJP-UHFFFAOYSA-N 362.307 4.621 0 50 FJAA O=C(NC1CCCC1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 13641260 WNEVUKKFLLLBLH-UHFFFAOYSA-N 373.412 4.822 0 50 FJAA COc1cc2c(cc1OC)[C@]1(Cc3ccccc3)c3ccccc3CN1CC2 19899088 CLQQDVVZDDORTO-VWLOTQADSA-N 371.480 4.562 0 50 FJAA Clc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 55543052 PWYQTQMHADKPIR-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA Cc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)no1 71681531 IQPUXISBHJIWOA-UHFFFAOYSA-N 363.392 4.509 0 50 FJAA Cc1ccc2c(C)c(C(=O)N(C)Cc3cc(-c4ccccc4)n[nH]3)oc2c1 91452328 NTLGMXPRRYLZFJ-UHFFFAOYSA-N 359.429 4.712 0 50 FJAA Cn1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3ccccc3Cl)o2)n1 91486448 GILADWLAZYIBBT-QGZVFWFLSA-N 369.852 4.701 0 50 FJAA CC(C)c1noc(CC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 169754776 MUIJSEVUJLZFOQ-UHFFFAOYSA-N 369.509 4.585 0 50 FJAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C1=C1CCCC1 257355880 DEUZBUZVORBQQL-GORHPCIKSA-N 371.480 4.649 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1Br 1139601 VCBVXLDIDRHJIK-UHFFFAOYSA-N 357.207 4.665 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1C 1169120 BVHCMQCVHPYIQT-UHFFFAOYSA-N 353.274 4.737 0 50 FJAA Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CCCCC2)n1C 4384753 BUPRELOFUNHYDF-UHFFFAOYSA-N 368.506 4.628 0 50 FJAA CCSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2Cl)n1 4809930 IEXFSZNMXXAIIK-UHFFFAOYSA-N 363.653 4.768 0 50 FJAA Cc1ccc(-n2cc(CN(C)Cc3ccno3)c(-c3cccc(C)c3)n2)cc1 12713080 NXLFUCVIUDWXSH-UHFFFAOYSA-N 372.472 4.776 0 50 FJAA COc1ccc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1 16361759 SPYZWMXCVUZACE-UHFFFAOYSA-N 357.413 4.571 0 50 FJAA COc1ccc(CNc2ccc3c(c2)OCO3)cc1OCc1ccccc1 16663297 OFVPJJRMAXJNBS-UHFFFAOYSA-N 363.413 4.615 0 50 FJAA O=C(NC1CCCCC1)N(C(=O)c1cc2ccccc2[nH]1)C1CCCCC1 44126092 AXAFOWMVSTZDBX-UHFFFAOYSA-N 367.493 4.985 0 50 FJAA c1ccc(-c2ccc(-c3n[nH]c4c3CN(Cc3ccccn3)CC4)cc2)cc1 67872260 UBNNEYNMRITIBN-UHFFFAOYSA-N 366.468 4.697 0 50 FJAA Fc1cccc([C@H]2CCCCCN2Cc2cn(-c3ccccc3)nn2)c1 72161017 WYHRVLRPUNWJOW-OAQYLSRUSA-N 350.441 4.524 0 50 FJAA O=C(c1ccc2sccc2c1)N1CCC(c2nccn2CC2CC2)CC1 82097037 AINBFXWZIQGBRS-UHFFFAOYSA-N 365.502 4.528 0 50 FJAA CN1CCOc2ccc(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc21 175078858 FKJGQDBUQOGUTH-KRWDZBQOSA-N 371.868 4.538 0 50 FJAA O=C(c1ccc(OC2CCCCC2)cc1)N1CCC(c2ccncc2)CC1 192268009 UIABWXMYJSBSAR-UHFFFAOYSA-N 364.489 4.813 0 50 FJAA CCOc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)cc1 245236779 VSTUIVZSQLCSLN-UYVKZUBASA-N 368.304 4.880 0 50 FJAA C[C@@]1(CN)CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 262051214 RACWPRXFVHTPBL-KRWDZBQOSA-N 369.317 4.533 0 50 FJAA Cc1cccc(F)c1NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 281074999 QRCSIDHUVDHTHM-UHFFFAOYSA-N 366.440 4.661 0 50 FJAA Cn1nccc1[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cc1F 281260212 ASEDUFMDDMZZGT-OAHLLOKOSA-N 371.243 4.625 0 50 FJAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C[C@@H]2CCCCC[C@H]21 1875264161 FZJHOSKJWSMOOW-RBUKOAKNSA-N 363.505 4.681 0 50 FJAA CCOc1cc(C(=O)N([C@@H](C)CC)[C@@H](C)CC)cc(OCC)c1OCC 1112103 FTXMOXBKTXBRSH-HOTGVXAUSA-N 365.514 4.922 0 50 FJAA Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)c1 2815588 GGMNEFHSFIDIFZ-UHFFFAOYSA-N 374.362 4.642 0 50 FJAA CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCC)cc2)cc1 3002487 KPECNHIKQXMLPM-UHFFFAOYSA-N 354.450 4.856 0 50 FJAA COc1ccccc1C1=NN(C(=O)c2ccccc2C)[C@H](c2ccco2)C1 5024047 LXOJEGWDEGGYGZ-IBGZPJMESA-N 360.413 4.588 0 50 FJAA Cc1ccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)o1 15076805 QIYBRJHTYACSMC-UHFFFAOYSA-N 366.461 4.733 0 50 FJAA O=C(C[C@@H]1NCCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 20389327 PGQAPBDURPHHDJ-QFIPXVFZSA-N 358.441 4.695 0 50 FJAA Cn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cn1 20614372 FERUZDROKSQSFF-UHFFFAOYSA-N 365.387 4.636 0 50 FJAA O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 52537671 VPRSFDNKFYYOGY-UHFFFAOYSA-N 370.496 4.749 0 50 FJAA Cc1ccc2nc(-c3cncnc3)cc(C(=O)N3CC[C@@H](CC(C)C)C3)c2c1 63848665 CMEWAWCJLBZDAN-KRWDZBQOSA-N 374.488 4.508 0 50 FJAA Cc1cc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)sc1C 65466522 WSMINBWKZAKTIZ-UHFFFAOYSA-N 360.486 4.928 0 50 FJAA CCOC(=O)c1sc(-c2cccc(-c3nc4ccccc4[nH]3)c2)nc1C 85999927 OPCSOMSYDQWNFJ-UHFFFAOYSA-N 363.442 4.839 0 50 FJAA Fc1cc(OCc2ccccc2)c(Br)cc1Br 95944575 AEZYFLKSYANTLJ-UHFFFAOYSA-N 360.020 4.930 0 50 FJAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1c(F)cc(Cl)c(C)c1F 408101407 MAXXARWKFKTVJS-CYBMUJFWSA-N 368.815 4.636 0 50 FJAA FC(F)(F)Cn1ccnc1CSCc1cc(-c2ccccc2)on1 437262907 OGJLVMGYMBTIEG-UHFFFAOYSA-N 353.369 4.534 0 50 FJAA FC(F)c1ccc(-c2noc(Cc3c[nH]c4cccc(Cl)c34)n2)cn1 1875316455 SNAYMZSLWHYRAC-UHFFFAOYSA-N 360.751 4.795 0 50 FJAA Oc1cc(CNCc2sccc2Br)cc2sccc12 2325739021 NIAYVAHJYUPRST-UHFFFAOYSA-N 354.294 4.721 0 50 FJAA COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 678957 LDTPWYHMDVTJAB-UHFFFAOYSA-N 362.882 4.599 0 50 FJAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 1141458 WGHWNGIENDAEOL-UHFFFAOYSA-N 370.924 4.908 0 50 FJAA Cc1cc(C)nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1 2843209 VBRBNEUSLRHSPY-UHFFFAOYSA-N 350.443 4.861 0 50 FJAA Cc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 2900268 BKZVNCJQINIWNK-UHFFFAOYSA-N 367.257 4.929 0 50 FJAA CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1ccccc1Cl 5575999 BVWJUVHRGOFESN-UHFFFAOYSA-N 372.804 4.558 0 50 FJAA biogenic COc1ccc2cc(-c3n[nH]cc3CN(C)Cc3ccsc3)ccc2c1 15073083 GBVYRULRZREDQQ-UHFFFAOYSA-N 363.486 4.932 0 50 FJAA CC(C)c1ccc(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)cc1 17075104 XOXYTFZOBZETHJ-ZDUSSCGKSA-N 365.458 4.568 0 50 FJAA CC(C)=C[C@H](O)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 29056306 BKIACVAZUKISOR-HVJNQHDOSA-N 354.402 4.582 0 50 FJAA biogenic,in-vitro CC(C)(C)CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67673483 FMCBPYXOPGBVTC-UHFFFAOYSA-N 373.880 4.870 0 50 FJAA CCC(=O)N1CCCC[C@@H]1c1nc(C2(c3cccc(Cl)c3)CCC2)no1 867177824 MFSPTANGYOHWMU-MRXNPFEDSA-N 373.884 4.657 0 50 FJAA Cc1ccc(-c2nc([C@@H]3CC[C@H](c4ccccc4)O3)n(CCF)n2)cc1 1875341094 GFEGPSVSYOYQNY-MOPGFXCFSA-N 351.425 4.816 0 50 FJAA CC[C@H](C)Cc1csc(NC(=O)c2cccn2Cc2ccccc2F)n1 2325871478 MOCIIKHESBZLSZ-AWEZNQCLSA-N 371.481 4.973 0 50 FJAA COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2)cc1 1078722 WKDFQGXAHWNHCD-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA O=C(NCc1cccnc1)c1cccc(COc2cccc3ccccc23)c1 1144392 DJPOTGMARCZDJT-UHFFFAOYSA-N 368.436 4.744 0 50 FJAA COc1ccccc1C(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 2888730 QQYVWAQACOWUPQ-UHFFFAOYSA-N 368.458 4.858 0 50 FJAA Cc1cccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1O 4593153 IYFJDCFYEZGESU-UHFFFAOYSA-N 352.430 4.788 0 50 FJAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 4754502 INTBWTWWNGDZMJ-UHFFFAOYSA-N 367.518 4.537 0 50 FJAA Cc1ccc2oc(C(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)c(C)c2c1 11816912 MUIWPSQCIHWPMO-OAHLLOKOSA-N 367.470 4.846 0 50 FJAA CC(=O)O[C@]1(c2ccc3ccccc3c2)OC(=O)c2ccc3ccccc3c21 45068542 QAMNPGFSPLMXAE-XMMPIXPASA-N 368.388 4.928 0 50 FJAA CCc1nn2c(-c3ccc(OC)c(OC)c3)ccnc2c1-c1ccccc1 72116127 LQZRKDQISNCFTE-UHFFFAOYSA-N 359.429 4.643 0 50 FJAA CC[C@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2c(Cl)cccc12 215696657 BVBPOCPVGHDXQI-GOSISDBHSA-N 353.853 4.815 0 50 FJAA COc1ccc(CN(Cc2ccncc2)C(=O)c2coc3ccccc23)cc1 216200035 YIVVAUGQSYYKGD-UHFFFAOYSA-N 372.424 4.679 0 50 FJAA Cc1ccc2[nH]c([C@H]3CCCN3Cc3cn4cc(Cl)ccc4n3)nc2c1 253428428 JTETUSAQFAXGLZ-GOSISDBHSA-N 365.868 4.510 0 50 FJAA CC(=O)c1ccc(-c2ccc(C(=O)N3C[C@H]4CCC[C@H](C4)C3)cc2)s1 426434489 PVMHLOFCKJFNNY-IYBDPMFKSA-N 353.487 4.880 0 50 FJAA C[C@]1(C2CCCCC2)CCN1C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 1875408082 NYPKNASANVCXCW-CTAFRAEOSA-N 358.913 4.732 0 50 FJAA O=C(NC(=O)c1cccc2ccccc12)Nc1cccc(Br)c1 625523 TUPWJDOYCQNMJW-UHFFFAOYSA-N 369.218 4.564 0 50 FJAA Cc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccccc2)cc1 937007 ISGDOWCLJBJIMR-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 983332 LMMKBNXBWCWDKV-WMZHIEFXSA-N 370.408 4.658 0 50 FJAA Cc1cccc(NC(=O)c2cc(NC(=O)c3cccs3)ccc2Cl)n1 1069167 SBWPPWNWTVDEJS-UHFFFAOYSA-N 371.849 4.610 0 50 FJAA COc1cc(C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1 1152080 GSQLTYGKGGVDBL-UHFFFAOYSA-N 359.853 4.600 0 50 FJAA C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl 2760943 BYRFWCKQJACCDW-SNVBAGLBSA-N 358.652 4.731 0 50 FJAA O=C(C[C@H](SCc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 4118452 PGWIGYLPUIXBGD-INIZCTEOSA-N 369.269 4.953 0 50 FJAA Cc1sc(NC(=O)CCCC(=O)O)nc1-c1ccc(Cl)cc1Cl 17076396 PNRBREYTKSCHSM-UHFFFAOYSA-N 373.261 4.619 0 50 FJAA Cc1nc(-c2ccc(N3CCC(NCCC(F)(F)F)CC3)cc2)cs1 23339149 FISFZTQRLSVCCH-UHFFFAOYSA-N 369.456 4.629 0 50 FJAA CCN(C(=O)Nc1cccc(-c2cccnc2)c1)[C@H]1CCOC(C)(C)C1 96153382 OGRTZEBIRBKRMR-IBGZPJMESA-N 353.466 4.560 0 50 FJAA O=C(COc1ccc2ccccc2c1)NCC12CC3C[C@H](CC[C@@H](C3)C1)C2 100614919 OTDJVHFNGQVMEM-BBFQFKIHSA-N 363.501 4.941 0 50 FJAA CC(C)c1ccc(-c2nc(CSc3nc4ncncc4[nH]3)cs2)cc1 170599558 KHTUEAIYVNCONL-UHFFFAOYSA-N 367.503 4.892 0 50 FJAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCCC[C@@H]1CN1CCCC1 222279083 MGVOQFYAPBMWDK-JOCHJYFZSA-N 366.480 4.583 0 50 FJAA COc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@H]3C2)cc1OC 245312274 SLVINDWNJXCQHR-GCJKJVERSA-N 366.461 4.620 0 50 FJAA CC(C)OCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 253429682 OIWAIJAMVRPEDR-UHFFFAOYSA-N 353.293 4.816 0 50 FJAA 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 253498060 KHEZIAQMLFFOSK-AIIDPHAXSA-N 358.522 4.942 0 50 FJAA Cc1cccc(C2(NC(=O)c3cccc(-c4nccn4C(C)C)c3)CC2)c1 299760011 SZPRBDLZEUPPBU-UHFFFAOYSA-N 359.473 4.859 0 50 FJAA CC(C)c1cc(CN(C)C(=O)c2ccc(-c3ccc(Cl)cn3)cc2)on1 426668419 QRMQWRIWEBLMFL-UHFFFAOYSA-N 369.852 4.786 0 50 FJAA CCN(CCCN(C)C(=O)Nc1cnc2ccccc2c1)c1ccccc1 1875354797 PHIHQYJDURKPBW-UHFFFAOYSA-N 362.477 4.615 0 50 FJAA CC(=O)c1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 678645 WCJNBFMAALHJFI-UHFFFAOYSA-N 351.446 4.954 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 849013 HFRAAKFRYWBMBY-UHFFFAOYSA-N 364.401 4.571 0 50 FJAA Cc1cc(OCC(=O)Nc2cccc(Br)c2)cc(C)c1Cl 940139 HGEIPJAGUIQPGX-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1 1904034 ZHEWTSSISUTKDE-XBXARRHUSA-N 352.217 4.663 0 50 FJAA O=C(CSc1ccccc1)Nc1scc2c1c(=O)oc1ccccc12 4749762 OICZKNRKACGDSM-UHFFFAOYSA-N 367.451 4.739 0 50 FJAA CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 5106958 IIOSHAQHFQTBEW-HMMYKYKNSA-N 361.397 4.636 0 50 FJAA CC[C@H](C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 9340795 AJSYCRKGRBSHPW-KRWDZBQOSA-N 364.489 4.691 0 50 FJAA CCN(Cc1ccccc1)Cc1nc(-c2cccc(OC)c2OC)oc1C 11773656 FFSGRTOCSZPJHF-UHFFFAOYSA-N 366.461 4.689 0 50 FJAA Cc1c([C@H](C)NC(=O)c2ccsc2)cnn1-c1cccc2ccccc12 12709819 LBRBGVQMUICXIQ-AWEZNQCLSA-N 361.470 4.886 0 50 FJAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(C(F)(F)F)c1 13961439 MOEMRJOMAFHEHS-UHFFFAOYSA-N 366.770 4.813 0 50 FJAA FC(F)(F)c1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 39769814 AVAXCWYVNPJHNB-UXHICEINSA-N 366.471 4.934 0 50 FJAA CC(=O)O[C@@]1(c2ccc3ccccc3c2)OC(=O)c2ccc3ccccc3c21 45068539 QAMNPGFSPLMXAE-DEOSSOPVSA-N 368.388 4.928 0 50 FJAA Oc1cccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)c1 67723368 ANEHNAZSSAMNRE-UHFFFAOYSA-N 356.425 4.759 0 50 FJAA Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3cncc(F)c3)cc2c1 131119248 PKAUUYIIQQWNCT-UHFFFAOYSA-N 364.376 4.711 0 50 FJAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 170631225 VQTJVYGHBMFUCE-BHIYHBOVSA-N 362.489 4.514 0 50 FJAA Cc1[nH]c2c(c1C(=O)N1CCC[C@H](c3ccc(Cl)cc3)C1)C(=O)CCC2 223062850 KTZSWOAYNRKTJQ-HNNXBMFYSA-N 370.880 4.515 0 50 FJAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225716622 GHGOKJUCLHDQGN-ZTFGCOKTSA-N 369.411 4.579 0 50 FJAA COc1ccc(NC(=O)C[C@H](c2cccc3ccccc23)n2cccc2)cn1 263588601 WBXPUWUKJSJQTI-OAQYLSRUSA-N 371.440 4.663 0 50 FJAA CC(C)C1CCC([C@](C)(O)CNC(=O)[C@H]2CC=Cc3ccccc32)CC1 2325842013 LVKMDOUBPJLFND-HIYLJXDJSA-N 355.522 4.517 0 50 FJAA COc1ccc(CCCC(=O)Nc2ccc(Br)c(C)c2)cc1 685635 FMSBAUCJIUHVOT-UHFFFAOYSA-N 362.267 4.728 0 50 FJAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(F)c1 685871 QWJNZKIDCKKVTR-UHFFFAOYSA-N 371.415 4.608 0 50 FJAA CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 843655 WUPIHWLNWSANDL-ZDUSSCGKSA-N 363.280 4.790 0 50 FJAA CC(C)Cc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 947781 IUGXBEXBCBRKLQ-UHFFFAOYSA-N 365.502 4.897 0 50 FJAA Clc1cc(Br)ccc1OCCn1cnc2ccccc21 1074546 KAERJWPQKDWYIC-UHFFFAOYSA-N 351.631 4.531 0 50 FJAA CCOC(=O)c1c(NC(=O)CCC2CCCCC2)sc(C(C)=O)c1C 1117157 JZEDQYXQLNDEDQ-UHFFFAOYSA-N 365.495 4.735 0 50 FJAA O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 1186173 YJWUMFGVQTWEOR-UHFFFAOYSA-N 373.437 4.622 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2262400 VPMBMFYJJPEBKS-UHFFFAOYSA-N 372.799 4.794 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccco2)on1 2465629 SHHGLWYGFJYDDC-UHFFFAOYSA-N 356.687 4.859 0 50 FJAA COc1cccc(-c2cc(C(F)(F)Cl)n3nc(C)c(Cl)c3n2)c1 2786414 ASTGWARBOFBWBG-UHFFFAOYSA-N 358.175 4.655 0 50 FJAA c1ccc(Oc2cccc(CSc3nnnn3-c3ccccc3)c2)cc1 2878986 CNUSRNXFMXQLCQ-UHFFFAOYSA-N 360.442 4.747 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1cccs1 4719110 YHVSIGPSPCTZNC-UHFFFAOYSA-N 362.863 4.968 0 50 FJAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NCc2ccc(O)cc2)C1 12592615 LZKJQCKRGUXTTB-HXUWFJFHSA-N 365.452 4.520 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1nc2cc(Cl)ccc2s1 17073133 MEBOMDKCVUVQHR-UHFFFAOYSA-N 353.230 4.864 0 50 FJAA C=C[C@](C)(C[C@H]1OC(C)(C)O[C@@]12C[C@H](C)CC1=C2C(=O)CC1)C(=O)CC 43763668 JPLZZXDRCVXQSV-SRBBEKPSSA-N 360.494 4.528 0 50 FJAA CC(C)c1cc(NCc2csc(-c3cccs3)n2)n2nccc2n1 72430033 LHPOCMRAJQALFZ-UHFFFAOYSA-N 355.492 4.650 0 50 FJAA Cc1ccc(Sc2ccc(CN3CCC[C@H]3c3n[nH]c(C)n3)o2)cc1 215197266 PRLPYEHBDGAVPM-KRWDZBQOSA-N 354.479 4.503 0 50 FJAA CC(=O)c1cc(CN(Cc2ccccc2)Cc2scnc2C)cs1 215211850 IURMIXOETIEHDG-UHFFFAOYSA-N 356.516 4.918 0 50 FJAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 239310093 IBBHEQXRACLNGJ-HWWDLCQESA-N 364.316 6.261 0 50 FJAA Cc1ccccc1-c1noc([C@H](C)N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1 246573010 RWXDUVVULURVFQ-VKJFTORMSA-N 369.490 4.630 0 50 FJAA C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1ccc(Cl)c2ccccc12 408284978 BWPGEMKWIGHIGT-JLTOFOAXSA-N 360.885 4.501 0 50 FJAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)CCc2cccnc2)C1 822416738 AHLYJYLSRUSWGY-OAHLLOKOSA-N 357.885 4.543 0 50 FJAA Cc1c(CN2CCC([C@H](O)c3cccs3)CC2)[nH]c2ccc(F)cc12 952990057 FUVYPIASEBKENA-FQEVSTJZSA-N 358.482 4.623 0 50 FJAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccc(Cl)s1 1873707912 KALBOZYAYHSMQK-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA CCOc1ccc2[nH]c(C(=O)Nc3ccc(OC)c(OCC)c3)c(C)c2c1 1875358078 IMZUWWQLLWIGJN-UHFFFAOYSA-N 368.433 4.535 0 50 FJAA CCOc1ccc([C@@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 845791 KJGJDVCOQYOORZ-JOCHJYFZSA-N 358.441 4.565 0 50 FJAA CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(OC)cc1 954334 UPTMBARADFFLAS-UHFFFAOYSA-N 356.809 4.817 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccccc1 978494 JPKNKTBZMZMPOD-UHFFFAOYSA-N 365.454 4.773 0 50 FJAA O=C(Nc1c(F)cc(F)cc1Br)c1cc2c(s1)CCCC2 1055462 LPDUOBFAWCTYKO-UHFFFAOYSA-N 372.234 4.920 0 50 FJAA O=C(COc1ccc2c(c1)CCCC2)Nc1cc(Cl)ccc1Cl 1160751 QRGOGTARULGMTI-UHFFFAOYSA-N 350.245 4.890 0 50 FJAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cc2ccccc2o1 1218975 SZFMQAHKURPOTG-UHFFFAOYSA-N 355.353 4.888 0 50 FJAA COc1ccc2nc(NC(=O)CCCOc3ccc(C)cc3C)sc2c1 1914069 YZAKXNSPXPYSQY-UHFFFAOYSA-N 370.474 4.719 0 50 FJAA Cc1cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)ccc1Cl 2935567 SHIRKQGNQDDNQY-UHFFFAOYSA-N 358.850 4.789 0 50 FJAA COc1cc(C)ccc1OCCOCCOc1cc(C)c(Cl)cc1C 2987015 FRQRRHREPZUCOV-UHFFFAOYSA-N 364.869 4.748 0 50 FJAA Cc1cccc2c(C(=O)NCc3ccccn3)cc(-c3ccccc3)nc12 6614584 SMMPLKGQBGDOHI-UHFFFAOYSA-N 353.425 4.535 0 50 FJAA Cc1ncsc1CCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11817997 DSAGNFIPBNWQQO-LJQANCHMSA-N 371.550 4.611 0 50 FJAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 14225112 DYDKGWIZDBLIHI-UHFFFAOYSA-N 373.396 4.585 0 50 FJAA Cc1ncc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)s1 20996382 GXHUYHUQMWFDKI-KRWDZBQOSA-N 356.535 4.844 0 50 FJAA Clc1cccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 55542919 CQRVWFPQFNKOJO-UHFFFAOYSA-N 355.696 4.969 0 50 FJAA COc1c(F)cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1F 72150810 PJIJNPLMCDQYOE-UHFFFAOYSA-N 366.371 4.524 0 50 FJAA CCCCN(Cc1ccsc1)C(=O)c1cnc(Nc2ccccc2)nc1 91468879 QSTDZYHMKNEUSF-UHFFFAOYSA-N 366.490 4.724 0 50 FJAA Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)c(-c2ccccc2)o1 91676774 DWODLMLCVUFEOV-QGZVFWFLSA-N 365.433 4.739 0 50 FJAA O=C1CCCN1CC[C@H]1CN(Cc2ccc(C(F)F)cc2)c2ccccc21 183971734 WHOFUJNCFDFSFB-SFHVURJKSA-N 370.443 4.741 0 50 FJAA Cc1nc([C@H](C)N(C)C(=O)c2csc(-c3ccccc3)n2)c(C)s1 952988091 AXBJIRDDLONTDE-NSHDSACASA-N 357.504 4.717 0 50 FJAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cccc(Oc3ccccc3)c1)C2 1704300503 YHUMAWDCBPYKRV-FYYLOGMGSA-N 365.473 4.900 0 50 FJAA CCc1cc2c3c(c1)/C(=C\NCc1ccccc1)C(=O)N3C(C)(C)C=C2C 1857526072 HGLNPGJBKDQUDI-RCCKNPSSSA-N 358.485 4.922 0 50 FJAA O=C(O)c1c(Cl)c2ccccc2n1CCOc1ccccc1Cl 1875375773 ICYBXAYZDIDGQY-UHFFFAOYSA-N 350.201 4.725 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 943050 VTXYEHWBRMQREP-IZZDOVSWSA-N 368.433 4.534 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(Br)c1 952705 JWBJNDQVOUBPDQ-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA C[C@@H]1Cc2cc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)ccc2O1 969969 XKCWWHDHXAGVGB-QRQCRPRQSA-N 356.425 4.781 0 50 FJAA COC(=O)c1ccccc1OCCCCOc1cccc2ccc(C)nc12 2823759 MPOXTSKZRYNJBI-UHFFFAOYSA-N 365.429 4.568 0 50 FJAA CCOc1ccc(Br)cc1-c1noc(-c2ccc(F)cc2)n1 2881743 OUYPTTCLEIJSIU-UHFFFAOYSA-N 363.186 4.704 0 50 FJAA Fc1ccc(COc2ccc(Cl)cc2CNCc2cccnc2)cc1 4843475 KATZBIVGQWEXSZ-UHFFFAOYSA-N 356.828 4.743 0 50 FJAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4866604 LEFKXNCNBNDCJX-RFAUZJTJSA-N 371.742 4.526 0 50 FJAA O=C(NC[C@@H]1CCCN(C2CCCCC2)C1)c1cccc2ccccc12 12111867 TZKSYCGPKYQAPS-SFHVURJKSA-N 350.506 4.614 0 50 FJAA C[C@H]1CN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 16247828 PKOPFZIVQYDYGY-BGYRXZFFSA-N 367.533 4.891 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 22078114 YDVSWSLNLGOFMO-UXHICEINSA-N 366.471 4.934 0 50 FJAA Cn1ccnc1C1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 91656513 QFNWFMVSLAEHLV-UHFFFAOYSA-N 365.452 4.731 0 50 FJAA CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)c(Cl)c3)C(=O)[C@@H]2C1 100823485 ROXLGCOETMJJBV-DLBZAZTESA-N 367.832 4.978 0 50 FJAA FC(F)(F)c1cnc(-c2nccc(Sc3ccccn3)n2)c(Cl)c1 261495026 PAXHDCUXVBGXTF-UHFFFAOYSA-N 368.771 4.757 0 50 FJAA CN(C)C1(CNC(=O)c2cccc(-c3ccccc3Cl)c2)CCCC1 299789406 ZOQOIPNSDHSZCY-UHFFFAOYSA-N 356.897 4.611 0 50 FJAA O=C(NCCCNc1cccnc1)Nc1ccc(C2CCCCC2)cc1 299801172 YXHZUTZNTONMPK-UHFFFAOYSA-N 352.482 4.753 0 50 FJAA Cc1ccc(-c2cccnc2)cc1NC(=O)c1cncn1-c1ccc(F)cc1 477547741 BKKOTRLJFRMDJX-UHFFFAOYSA-N 372.403 4.634 0 50 FJAA CC(C)(C)c1ccc(C(=O)CCCN2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704358180 DNWBZRYBMYLFJG-FYYLOGMGSA-N 357.538 4.574 0 50 FJAA FC(F)(F)c1ccc2nnc(-c3cccc(OCc4ccccc4)c3)n2c1 885456 ACRGRMRMRDKZTN-UHFFFAOYSA-N 369.346 4.994 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc1 1115399 AHXCGYXCKGQVQV-UHFFFAOYSA-N 369.490 4.651 0 50 FJAA Cc1cc(NC(=O)c2c(-c3ccccc3)noc2C)ccc1Br 1150232 BDQVPWRHTOIPMQ-UHFFFAOYSA-N 371.234 4.973 0 50 FJAA Cc1cc(Br)ccc1NC(=O)COc1cccc2ccccc12 1156070 FNUSTCRDXIOMCH-UHFFFAOYSA-N 370.246 4.928 0 50 FJAA COc1cc(NC(=O)COc2cccc3ccccc23)c(OC)cc1Cl 1199927 STXVGGVDLQNPKT-UHFFFAOYSA-N 371.820 4.528 0 50 FJAA CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583308 DSEDZIUESKRBOW-FQEVSTJZSA-N 367.445 4.559 0 50 FJAA in-vitro COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)c1 5911443 CRHIFKBJGUGNCB-ICSRJNTNSA-N 356.853 4.874 0 50 FJAA Cc1cc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)c(C)cc1Cl 6527746 QNHPAJSFXKGGCF-CYBMUJFWSA-N 367.873 4.626 0 50 FJAA Fc1cccc(-c2c[nH]nc2C2CCN(Cc3ccccc3F)CC2)c1 15007701 RMZJMCOIHKPRKH-UHFFFAOYSA-N 353.416 4.735 0 50 FJAA C[C@H]1CCc2c(sc3[nH]c(=S)n(CCCc4ccccc4)c(=O)c23)C1 17076003 YNHHHCMWVYMTEN-ZDUSSCGKSA-N 370.543 4.878 0 50 FJAA Cc1n[nH]c(C)c1CN(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 20855452 GZFNBHDYFLGALT-UHFFFAOYSA-N 371.488 4.716 0 50 FJAA O=C(NCc1nc2ccccc2o1)c1ccc(-c2ccccc2Cl)o1 92028281 SBLRMYABRZDMPF-UHFFFAOYSA-N 352.777 4.671 0 50 FJAA COc1cc(C(=O)O)cc(OCc2ccccc2)c1OCc1ccccc1 98177699 NAMUJFYSOGQDCY-UHFFFAOYSA-N 364.397 4.551 0 50 FJAA CCOc1ccc(C(C)C)cc1S(=O)(=O)Oc1cccc2cccnc12 170615029 LIABKHGXJSHQPL-UHFFFAOYSA-N 371.458 4.525 0 50 FJAA C[C@@H](C(=O)Nc1cccc(N2CCCCCC2)c1)n1cnc2ccccc21 170636749 HBVCXBUMQLMALX-KRWDZBQOSA-N 362.477 4.616 0 50 FJAA Fc1ccccc1[C@@H]1C[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299741590 GPWBIMZJXKUWRB-IMBTUZDBSA-N 350.393 4.725 0 50 FJAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1 299755157 CRJBXQBJYRZZLV-OAQYLSRUSA-N 352.478 4.700 0 50 FJAA CCc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCC2)cs1 299757352 MKFVKKGKXJZTJB-GOSISDBHSA-N 362.926 4.531 0 50 FJAA CC1(C)C[C@H](c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)c2ccccc2O1 333369325 FINXLSLQWDTUQT-HLLBOEOZSA-N 356.466 4.681 0 50 FJAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)OCC4)cc2)no1 584898065 SHDYHMYGJQHZLY-OAQYLSRUSA-N 374.440 4.562 0 50 FJAA CC(C)c1nc2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2[nH]1 888090821 WHPNVQSOWKRHHH-UHFFFAOYSA-N 363.442 4.514 0 50 FJAA COc1ccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)cc1 641009 ALEZBRNEQKOZFL-UHFFFAOYSA-N 358.850 4.648 0 50 FJAA CCOc1ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc2c1 946479 AQHIMOWBYFWHHW-UHFFFAOYSA-N 364.319 4.886 0 50 FJAA biogenic Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc(C)cc(C)n1 1155334 AXPSEZFKPJWJSM-AWEZNQCLSA-N 369.534 4.813 0 50 FJAA O=C(Nc1cccc2nsnc12)c1ccc(OCc2ccccc2)cc1 1187149 PJZDLGWIYUUJBB-UHFFFAOYSA-N 361.426 4.523 0 50 FJAA COc1cc2c(cc1OC)[C@@H](c1ccc(-c3ccccc3)cc1)CC(=O)N2 1460958 BUPHTDQTDCVUHA-GOSISDBHSA-N 359.425 4.845 0 50 FJAA Cc1ccc(NC(=O)N2CCC(C)CC2)cc1NC(=O)N1CCC(C)CC1 9961321 LAKYUQNROFOCMZ-UHFFFAOYSA-N 372.513 4.523 0 50 FJAA COC[C@H](C)NCc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 11790323 VKHOQMDYBBQVDC-HNNXBMFYSA-N 354.881 4.988 0 50 FJAA COc1cccc([C@@H](C)N(C)Cc2cn(C)nc2-c2cccc(Cl)c2)c1 12297827 HFDACSASWWRGKT-OAHLLOKOSA-N 369.896 4.942 0 50 FJAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCCC[C@H]1CO 22077701 VXAVILQUDIBJRH-IBGZPJMESA-N 365.473 4.764 0 50 FJAA Cc1cc([C@H]2CCCCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)no1 91645598 MBPNLQBBTGVPHO-QGZVFWFLSA-N 351.450 4.757 0 50 FJAA Fc1c(Cl)cccc1Nc1ncncc1-c1nc(-c2ccccc2)no1 169775585 DRYILEBPTGWGRQ-UHFFFAOYSA-N 367.771 4.730 0 50 FJAA CN(C)Cc1ccccc1Cn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857704175 GXSUNVAEWFYGGS-UHFFFAOYSA-N 373.422 4.765 0 50 FJAA CCC[C@H](N[C@H]1CCN(C(=O)CC)C1)c1ccc(Oc2ccccc2)cc1 2325822308 PTLFSIMYGFSKBR-UGKGYDQZSA-N 366.505 4.921 0 50 FJAA O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1cc(Cl)ccc1F 2325871673 UPYQTCSVPRXUHP-HXUWFJFHSA-N 368.839 4.934 0 50 FJAA CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1 755692 ROYXIPOUVGDTAO-UHFFFAOYSA-N 350.447 4.909 0 50 FJAA in-vitro COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1Cl 881975 KDHXQWXSIVAYFV-UHFFFAOYSA-N 370.861 4.629 0 50 FJAA O=C(c1ccc(Br)cc1)N(c1ccccn1)C1CCCCC1 921434 ZQMXLQOZMLMAAZ-UHFFFAOYSA-N 359.267 4.824 0 50 FJAA CCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCCC)cc2)c1 1777972 HNVNIVFSXLEPMK-JLHYYAGUSA-N 367.445 4.694 0 50 FJAA O=C(CCc1ccccc1)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1 1977922 FMCIIOJVWLVSPF-UHFFFAOYSA-N 370.404 4.998 0 50 FJAA Cc1cc(Br)c(NC(=O)CSCc2ccccc2)cc1C 2853426 VQGPCVWFAWLOCU-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA O=C(CSCc1ccc(Br)cc1)NCCC1=CCCCC1 4808779 KFZDTVYWIYKBPB-UHFFFAOYSA-N 368.340 4.689 0 50 FJAA CCOc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c2ccccc12 6702012 OFUFYLMWGSBTSA-UHFFFAOYSA-N 363.523 4.732 0 50 FJAA CC(C)c1cncnc1NCc1cccnc1Oc1ccc(F)cc1F 67856550 XMHTZYNCULDGDR-UHFFFAOYSA-N 356.376 4.678 0 50 FJAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1c1cccc(F)c1 77525305 ZNUOFJRFCNWHBS-GOSISDBHSA-N 355.438 4.645 0 50 FJAA CC(C)Cn1cc(C(F)F)c(-c2nc(Cc3ccccc3Cl)no2)n1 134558088 QHIOYSPSCXIIFU-UHFFFAOYSA-N 366.799 4.771 0 50 FJAA C[C@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 152488904 FMFMKSQKSLOIRX-CVEARBPZSA-N 363.486 4.502 0 50 FJAA Cc1noc2ncc(C(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)cc12 177537771 KMCMJKYPCUSOAB-CVTTXWKISA-N 361.445 4.629 0 50 FJAA Fc1ccc([C@H]2CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)cc1 215868435 AXKYTDKZFHFKCT-FQEVSTJZSA-N 372.447 4.525 0 50 FJAA O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(C2CCC2)cc1 242346971 ZKRYHMWRYBXELY-UHFFFAOYSA-N 350.462 4.797 0 50 FJAA CCc1c(NCc2ccc(Oc3cnccn3)cc2)cnn1-c1ccccc1 466749081 HHZFGIVLFMGZNT-UHFFFAOYSA-N 371.444 4.629 0 50 FJAA Cc1cccnc1C[C@H](C)N(C)C(=O)c1cccc(-c2cccc(F)c2)c1 826621397 XHLVHJSDHJPTSK-KRWDZBQOSA-N 362.448 4.899 0 50 FJAA CC(C)(C)OC(=O)[C@@H](CC1CCCCC1)NCc1cccc(O)c1Cl 1875334197 CXJWLKJPLQWIQZ-MRXNPFEDSA-N 367.917 4.816 0 50 FJAA CC(C)c1ccc(Oc2cc(C(=O)OCc3cncc(F)c3)ccn2)cc1 2325771034 WUOFATOZYACFRE-UHFFFAOYSA-N 366.392 4.888 0 50 FJAA COc1ccc([C@H](CC(C)C)NC[C@@H](CO)Cc2ccccc2C)cc1 2325842185 QQYRAXINNZTDOV-CVDCTZTESA-N 355.522 4.532 0 50 FJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 622477 DUPIQORRSLJOEJ-GFCCVEGCSA-N 370.518 4.522 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)c(Br)c1 753200 FSKPEQUEUMJLTE-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1C 1153272 ZPRVDRGGTRTLRZ-UHFFFAOYSA-N 359.381 4.602 0 50 FJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O 1167691 SSUSBNQCANAGLU-UHFFFAOYSA-N 359.381 4.597 0 50 FJAA O=C(Nc1cccc2ccccc12)c1cccc(I)c1 1173921 FLSJNQZRSRCBFQ-UHFFFAOYSA-N 373.193 4.697 0 50 FJAA CCOC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 1232075 JNYFNQWRGSQZQC-JTQLQIEISA-N 356.205 4.511 0 50 FJAA COc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3c3ccccc23)cc1 2195066 KDHUQVDJYCGVHO-UHFFFAOYSA-N 366.424 4.929 0 50 FJAA CCCC(=O)N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 2667188 FFTGFIAQRXDSTK-HNNXBMFYSA-N 359.684 4.864 0 50 FJAA Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccccc2)n1 2871601 DKXIQSSVKBKSNE-UHFFFAOYSA-N 369.877 4.836 0 50 FJAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 2979725 RSHSXMAXCARJQE-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1cccc(O)c1 4820397 MXOUMKKLMAUUQT-OUKQBFOZSA-N 374.827 4.915 0 50 FJAA CCc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=N)cc1 6518953 JCSBPTGJVBOQJI-UHFFFAOYSA-N 363.461 4.573 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3ccc(Cl)s3)c2C)cc1 11818313 BIVFAUWOAWZPEA-LBPRGKRZSA-N 361.898 4.755 0 50 FJAA O=C(CCc1nnc(CCC2CCCCC2)o1)NCCCC1CCCC1 12469633 KJKPINJJFPKWAJ-UHFFFAOYSA-N 361.530 4.602 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(Cc2ccsc2)C1 20601120 WCGFICLTTXWXRE-AWEZNQCLSA-N 359.445 4.796 0 50 FJAA COc1cc(C)c(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)cc1C 67694671 ULGRJLWBIIDASP-UHFFFAOYSA-N 350.409 4.507 0 50 FJAA C[C@@H](c1nccs1)n1ccnc1-c1cnc(-c2ccc(Cl)cc2)nc1 67803966 BZMWHSVQXPNBHL-LBPRGKRZSA-N 367.865 4.726 0 50 FJAA Cc1[nH]c2ccc(C(=O)N3CCC(c4nccn4C(C)C)CC3)cc2c1C 91620416 CZYLNYSCYAJTEA-UHFFFAOYSA-N 364.493 4.582 0 50 FJAA O=C(Nc1ccc2[nH]ccc2c1)N1CCCC[C@@H]1CCc1ccc(O)cc1 96162979 ZDNOGSGGHUGNFJ-LJQANCHMSA-N 363.461 4.893 0 50 FJAA Cn1c(SCSCc2ccc(Cl)cc2)nnc1-c1cccnc1 170605525 RQUSWBMBSQSMHY-UHFFFAOYSA-N 362.911 4.514 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)N1CCCC[C@H]1c1nccs1 176251991 NYADGRCSLQJALZ-ZDUSSCGKSA-N 355.385 4.921 0 50 FJAA COc1cccc([C@H]2CCN2C(=O)c2c(-c3ccccc3)ccnc2C)c1 215253136 RXZKTYGYGOGBLH-OAQYLSRUSA-N 358.441 4.653 0 50 FJAA Cc1nn(C)cc1[C@H](C)NC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 333562975 HIFTYMKESVNHKY-OXJNMPFZSA-N 366.509 4.507 0 50 FJAA COc1ccc2c(c1)CN(C(=O)c1cc(C)oc1C)[C@@H](c1ccccc1)C2 1355973571 AQAVIHKADUKXFJ-JOCHJYFZSA-N 361.441 4.845 0 50 FJAA O=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)C1CC1 1050392 VOOQLVTXLSNVET-UHFFFAOYSA-N 360.788 4.755 0 50 FJAA O=C(O)COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 3017695 GSKAGXBVASNNGT-UHFFFAOYSA-N 370.408 4.874 0 50 FJAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCC[C@@H](C)C1 5941477 ZDDJWKRUCPUTPF-CYBMUJFWSA-N 374.531 4.630 0 50 FJAA COc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4ccco4)nc32)cc1 20602798 LGCHMHFLGUFKPS-UHFFFAOYSA-N 355.344 4.935 0 50 FJAA Cc1ccc2nc(-c3ccc(F)cc3)c(CN(C)Cc3ccno3)cc2c1 72418478 FKPDEVDENVCAHJ-UHFFFAOYSA-N 361.420 4.969 0 50 FJAA Cc1c(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cnn1C1CCCC1 123569275 VGMGQPFFIKXPOC-UHFFFAOYSA-N 357.429 4.629 0 50 FJAA Cc1cc(SC2CCCCC2)ccc1NCCCCS(C)(=O)=O 170669198 XNGMVUJZKOIMEQ-UHFFFAOYSA-N 355.569 4.657 0 50 FJAA Cc1nc(C)c2c(C)c(C(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)sc2n1 229728216 SXYQOAMLKKKJLW-LAPQFRIASA-N 357.523 4.561 0 50 FJAA O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239347388 MUZUZXBNNZQLPH-KHMAMNHCSA-N 358.696 5.135 0 50 FJAA aggregator CCc1cnc(C)nc1-c1cccc(C(=O)N(C)[C@H](CC)c2cccnc2)c1 426511867 ZAIOQMLTOJXCDH-OAQYLSRUSA-N 374.488 4.633 0 50 FJAA CC(C)(C)c1ccc(CN2CCOC[C@@H]2C[C@H]2CNc3ccccc32)cc1 1875344915 QHBYWMOCDGWBMK-FPOVZHCZSA-N 364.533 4.784 0 50 FJAA O=C(O)c1csc2c(-c3ccc(OC[C@@H]4CCOC4)cc3)cccc12 1875405535 ILYZTXUWZPMCOM-CYBMUJFWSA-N 354.427 4.682 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 1207577 QBUUFBJUDWIGQE-UHFFFAOYSA-N 374.440 4.898 0 50 FJAA CCCCN(CCCC)C(=O)CSc1nnc(-c2ccc(C)cc2)o1 2847366 CWGCOSGVZREHDP-UHFFFAOYSA-N 361.511 4.566 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)Nc1ccccc1-2 2911753 HSMHKPZEPAUSBN-KRWDZBQOSA-N 368.437 4.683 0 50 FJAA Cc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1 4651885 GBORHFHYPAQPQQ-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 6844630 QPZPHFDDLJAYTD-VXGBXAGGSA-N 364.898 4.636 0 50 FJAA Cc1nn2c(NCc3cccnc3)cc(C(C)C)nc2c1-c1ccccc1 8618280 GORIERIMHBBYQQ-UHFFFAOYSA-N 357.461 4.835 0 50 FJAA Oc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)c1 11789850 LBXMJTZJMWXMSL-QGZVFWFLSA-N 367.880 4.815 0 50 FJAA Cc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 15010660 OHUJPPORGJUZPD-YVLHZVERSA-N 371.845 4.568 0 50 FJAA C[C@H]1[C@@H]2CCCN2CCN1Cc1cccc(Oc2ccc(Cl)cc2)c1 19771292 LANXFHNBSBOPCN-KKSFZXQISA-N 356.897 4.801 0 50 FJAA O=C(NCc1scnc1-c1ccccc1)c1ccc([C@H]2CCCO2)s1 91586496 CTHZIDOJGANYEP-CQSZACIVSA-N 370.499 4.653 0 50 FJAA O=C(c1ccccc1-c1ccccc1)N1CC[C@H](Cc2cccc(CO)c2)C1 95386542 FEXOQEWFPCXUFK-HXUWFJFHSA-N 371.480 4.551 0 50 FJAA O=C(c1ccccc1Nc1ccccc1)N1CCC[C@H](N2CCCC2)CC1 131236054 VJXCDAPVNKRSNB-FQEVSTJZSA-N 363.505 4.521 0 50 FJAA CC(C)C[C@H](C(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)n1cccc1 253406330 IVGVIHVBXSDRMX-OAHLLOKOSA-N 364.371 4.609 0 50 FJAA Cc1ccc(F)cc1-c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1 426477872 HGDQQLGUQNHPLR-UHFFFAOYSA-N 366.480 4.502 0 50 FJAA Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2ncccc2C)cc1 426712641 MAGKBPMBCZZKFG-UHFFFAOYSA-N 374.484 4.907 0 50 FJAA Cc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)n2)c1 682259 MAZHPDWUTNNJKU-UHFFFAOYSA-N 373.456 4.820 0 50 FJAA Clc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 903297 PCKOQNIZVPCWSC-UHFFFAOYSA-N 365.614 4.732 0 50 FJAA CCCCC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 2832896 UNVUXSFDXFCXFB-UHFFFAOYSA-N 360.841 4.730 0 50 FJAA O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 4685900 XZQOYSAOYZMONC-CQSZACIVSA-N 372.635 4.593 0 50 FJAA O=C(N[C@H](CCCCN1CCCCC1)c1ccccc1)c1ccccc1 4713666 NWXJLOIXRPPRIT-JOCHJYFZSA-N 350.506 4.814 0 50 FJAA COc1cc(NC(=O)CSCc2ccc(C)cc2)c(OC)cc1Cl 4840180 GFSUMYBESBQHOQ-UHFFFAOYSA-N 365.882 4.538 0 50 FJAA O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1Cc1c(O)ccc2ccccc12 7996283 RVNSQVIUFZVNAU-UHFFFAOYSA-N 360.438 4.549 0 50 FJAA in-vivo CCN(Cc1ccc(C)o1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 11719318 HVUNNAAGILCBDO-FQEVSTJZSA-N 358.501 4.504 0 50 FJAA Cc1c([C@H](C)NCc2ccccc2OC(F)F)cnn1-c1ccccc1 15076036 PFEMJGKEPISYJY-AWEZNQCLSA-N 357.404 4.633 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 17159664 GFCRLSGLFPNWGY-UHFFFAOYSA-N 356.476 4.783 0 50 FJAA CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccco3)nc21 20603600 PRWOWGGLSTVEGF-QMMMGPOBSA-N 351.378 4.623 0 50 FJAA CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2OC)cc1Cl 55242598 YJJWOTWNAYECDV-UHFFFAOYSA-N 367.232 4.603 0 50 FJAA C/C(=C\c1ccco1)CN1CCC(O)(c2ccc3nc(C)ccc3c2)CC1 67756137 ZVUDNRYVQSNCAO-SAPNQHFASA-N 362.473 4.523 0 50 FJAA Cc1cc(CNC(=O)c2ncoc2C)c2[nH]c(-c3ccccc3)c(C)c2c1 71746617 CSEUKJNGYKNIJC-UHFFFAOYSA-N 359.429 4.678 0 50 FJAA Cc1c[nH]c(CN(C)Cc2cc3cccc(C)c3nc2-c2cccs2)n1 72469264 FRROOFMLMNRGAR-UHFFFAOYSA-N 362.502 4.935 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)[nH]n2)s1 91563183 ALWQPQWEGRGFEN-CYBMUJFWSA-N 371.893 4.730 0 50 FJAA CCN(c1ccccc1)c1ccc(CN[C@@H](Cc2ccccc2)C(=O)O)cc1 170612736 KTAIOJCMIQVLNL-QHCPKHFHSA-N 374.484 4.630 0 50 FJAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1C=CCC1 1437524710 RSUNWIUCYNEDMT-QGZVFWFLSA-N 366.411 4.881 0 50 FJAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 1002387 YZBWXUMBVMJAEN-IQDQWBFVSA-N 368.565 4.982 0 50 FJAA O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2Cl)o1 1083391 ZVZOXWZTCZHXMJ-UHFFFAOYSA-N 369.229 4.874 0 50 FJAA CCc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc12 1167294 MJQNASOZBIDYFB-UHFFFAOYSA-N 363.196 4.881 0 50 FJAA Cc1cccc(C(=O)N[C@@H](Nc2ccccc2)C(Cl)(Cl)Cl)c1 1232873 KGILQXXRQDPOHY-OAHLLOKOSA-N 357.668 4.533 0 50 FJAA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)c1 4593175 UYCYKBRZXGOMPH-PMACEKPBSA-N 365.429 4.701 0 50 FJAA COc1cc(CN(C)CCc2ccccc2)ccc1OCc1ccccc1 4989083 YYDFKGJINPKQQQ-UHFFFAOYSA-N 361.485 4.949 0 50 FJAA CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccc(Cl)cc1 5028151 MTQKXKNXRIWCIL-UHFFFAOYSA-N 373.865 4.609 0 50 FJAA CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1 5643074 VCLZNSKKBGUXBB-MEBBXXQBSA-N 365.886 4.615 0 50 FJAA CN(Cc1nccs1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 11935600 DMLHAXMOXLAURT-UHFFFAOYSA-N 360.486 4.832 0 50 FJAA Cc1ccc2cccc(OCCOc3cccc(Br)c3)c2n1 13285136 GITWOGGGKCSCHI-UHFFFAOYSA-N 358.235 4.764 0 50 FJAA COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3C)on2)c1 21791068 ZZYVDXIAEYPLEB-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA CC/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O 34961968 LINXWSBRRJSWHL-RQQXGUOYSA-N 362.510 4.715 0 50 FJAA in-vitro CCc1ccc(CN2CCOc3c(cc(-c4cccnc4)cc3OC)C2)cc1 64083817 NPRCPHWSISQLAB-UHFFFAOYSA-N 374.484 4.714 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCCC[C@@H]3c3cc(C)on3)c2c1 77554153 VVBWCNUEXZVXGY-OAQYLSRUSA-N 363.461 4.769 0 50 FJAA O=C(c1c[nH]nc1-c1ccccc1F)N1CCCCC[C@@H]1c1ccco1 97574999 FOYQMOYFHPREBP-QGZVFWFLSA-N 353.397 4.566 0 50 FJAA O=C(c1cc2cc(F)ccc2s1)N1CCC(Nc2ccccc2F)CC1 174088108 GAZCTRMPTWFHNL-UHFFFAOYSA-N 372.440 4.896 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)c2cc(N3CCCCC3)ccc2Cl)nc1 244795377 RFEDDDBYQFZTGD-OAHLLOKOSA-N 357.885 4.525 0 50 FJAA C/C(=C\c1ccco1)CN1CCOc2ccc([C@H](O)CC(C)C)cc2C1 299765541 BQJJSRNLPMYEGL-GUOCTKQSSA-N 355.478 4.657 0 50 FJAA Brc1cccc2oc3ccc(I)cc3c12 584602225 KYPNFEBMMQFIDM-UHFFFAOYSA-N 372.987 4.953 0 50 FJAA O=C(OCC[C@@H]1CC1(F)F)c1ccccc1SCc1cscn1 851378624 SHVHSDVKWAWXRW-LLVKDONJSA-N 355.431 4.638 0 50 FJAA O[C@@H](CNc1cncc(-c2ccc(F)cc2)n1)c1ccc2ccccc2c1 2325737341 ZGYWAKDBJFAUGN-NRFANRHFSA-N 359.404 4.581 0 50 FJAA Cc1ccc([C@H](NC[C@@H](CO)Cc2ccccc2C)c2cccc(C)n2)cc1 2325841665 CKACQGYMNFEGAB-OFVILXPXSA-N 374.528 4.537 0 50 FJAA Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1 603862 BQNXBSYSQXSXPT-UHFFFAOYSA-N 355.275 4.594 0 50 FJAA in-vitro CC[C@@H](C)OC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCC2 689084 JQVMSUVIIIBPIT-LLVKDONJSA-N 361.463 4.736 0 50 FJAA Cc1cc(OCC(=O)Nc2cccc(Br)c2)ccc1C(C)C 946926 CLJQNXBLQABCSQ-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1F)c1ccccc1 1081650 MHGDXMMPPWBECJ-OAHLLOKOSA-N 362.404 4.569 0 50 FJAA Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 1122928 WCVOKNLQXPAPII-UHFFFAOYSA-N 351.233 4.578 0 50 FJAA Cc1cc(C)c(OCCCCn2cnc3ccccc3c2=O)c(Cl)c1 2863037 XZCPVTQHULJGKH-UHFFFAOYSA-N 356.853 4.526 0 50 FJAA O=S1(=O)C(c2ccccc2)=C[C@]12CC1c3ccccc3C2c2ccccc21 16952646 ZAJRIXIULNIHDU-HQNXYIODSA-N 370.473 4.876 0 50 FJAA CC(C)c1nc(CN(C)C(=O)c2csc(Cc3ccccc3)n2)cs1 82108376 GFFUGZKYFANOBK-UHFFFAOYSA-N 371.531 4.586 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)c(C(F)(F)F)n1 170600020 WFBYBJCBFGFFHF-CQSZACIVSA-N 371.403 4.686 0 50 FJAA Cn1cc(CCC(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c2ccccc21 253397993 BUVFZHMONHOZTG-NRFANRHFSA-N 371.484 4.786 0 50 FJAA biogenic 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 253615022 SCNWNOJSZNDWCA-QYXLLVCASA-N 362.510 4.662 0 50 FJAA COc1cccc([C@H]2CCN2C(=O)c2ccc(N3CCCC3)c(Cl)c2)c1 824774932 UTAVPFQKGLKCTM-LJQANCHMSA-N 370.880 4.536 0 50 FJAA Cc1ccsc1CN(Cc1ccccn1)Cc1cncn1CC(C)C 1506429683 VYZWRGPYWQSPPN-UHFFFAOYSA-N 354.523 4.506 0 50 FJAA Cc1nn(C2CCCCC2)c(C)c1NC(=O)c1ccc(-c2cn[nH]c2)cc1 1875278297 ONDZGIIHCKNXLX-UHFFFAOYSA-N 363.465 4.648 0 50 FJAA Cc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 677066 FTPQPOVXCBSZRM-UHFFFAOYSA-N 370.246 4.928 0 50 FJAA Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952259 KXQUATJVZABFGY-UHFFFAOYSA-N 356.377 4.988 0 50 FJAA biogenic CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1065689 JSQAXQCYQKOYLH-UHFFFAOYSA-N 357.715 4.536 0 50 FJAA Cc1ccccc1NC(=O)C(Cc1ccccc1)C(=O)Nc1ccccc1C 1127724 ZQJPZQXIMMVKSM-UHFFFAOYSA-N 372.468 4.740 0 50 FJAA COc1cccc(-n2c(-c3ccccc3Cl)nc3ccccc3c2=O)c1 1178469 XLODELOESBWDBB-UHFFFAOYSA-N 362.816 4.715 0 50 FJAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1C 1216590 TZSMIDCKPLWPKJ-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA Cc1cccc2c(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc(-c3cccnc3)nc12 1460019 BBTZYVJHHXTJPJ-HZPDHXFCSA-N 359.473 4.723 0 50 FJAA CCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)c(OCC)c1 2735867 MWAMZESZVMUSQQ-UHFFFAOYSA-N 351.402 4.706 0 50 FJAA Cc1c(CN(C)c2nncc(-c3cc4ccccc4o3)n2)[nH]c2ccccc12 12058551 KJCRZGZTOMTKNJ-UHFFFAOYSA-N 369.428 4.711 0 50 FJAA Cc1cc(C)c(C)c(OCCOCCOc2cccc3ccc(C)nc23)c1 13285150 NNYKLQWOTJEGRZ-UHFFFAOYSA-N 365.473 4.943 0 50 FJAA O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1Br 13745398 CKLYQBUVOOZZIX-UHFFFAOYSA-N 363.299 4.787 0 50 FJAA Cc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(F)c3)C2)s1 20541989 AYRNVQRPDFVNFS-INIZCTEOSA-N 355.482 4.965 0 50 FJAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)s1 20603544 MYXQDPGOABGJDJ-UHFFFAOYSA-N 365.430 4.764 0 50 FJAA c1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cc2)nc1 48460371 FBDGHDNPPUGTNS-UHFFFAOYSA-N 357.442 4.598 0 50 FJAA O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccn2ccnc2c1 118954098 BVMOTHUZAFJTTC-UHFFFAOYSA-N 367.330 4.671 0 50 FJAA Cc1nc(-c2cccs2)sc1C(=O)N(C)[C@@H]1CCCc2cccnc21 170604784 OPWIAHXSDDSVIS-CQSZACIVSA-N 369.515 4.725 0 50 FJAA COCCN(Cc1cccc([C@@H](C)N(C)C)c1)Cc1ccccc1Cl 824405461 MCLNKTKHUARJOG-QGZVFWFLSA-N 360.929 4.611 0 50 FJAA O=C(NCc1cccc(OC2CCCC2)c1)NCc1ccc2ccoc2c1 2325736050 WSLJYWJNEDVKIL-UHFFFAOYSA-N 364.445 4.754 0 50 FJAA COc1cc(-c2cn([C@@H](C)c3cccc4cnccc34)nn2)ccc1Cl 2325827838 RPKWIRQRGHYXGS-ZDUSSCGKSA-N 364.836 4.765 0 50 FJAA O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2)N1Cc1ccccc1 721819 YFWNKNJAFPOOGD-RCCKNPSSSA-N 356.400 4.656 0 50 FJAA O=C(c1cccc2ccccc12)N1CCc2cc(Br)ccc21 1095630 WURXUJAHBTZNPM-UHFFFAOYSA-N 352.231 4.805 0 50 FJAA Cc1nc2ccccn2c1C(=O)CSc1cccc(C(F)(F)F)c1 1383992 BTSFMRPMGSPYFT-UHFFFAOYSA-N 350.365 4.637 0 50 FJAA O=C1C[C@@H](c2c(Cl)cccc2Cl)c2c(c3ccccc3oc2=O)O1 1427226 YPOOMVMPSKEDBN-JTQLQIEISA-N 361.180 4.541 0 50 FJAA CN(Cc1cccnc1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 11937263 OLGDBTRXGHCAPR-NRFANRHFSA-N 364.876 4.916 0 50 FJAA O=C1[C@H](c2ccccc2)c2ccccc2N1N1CCC[C@@H]1c1ccccc1 101173517 ZJCDYCYJCMBPGC-FYYLOGMGSA-N 354.453 4.917 0 50 FJAA C[Si](C)(C)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@@]23C[C@@H]1C=C2[C@H]1CC[C@H]3C1 216465685 IPPGWCQMHJIQOR-SEHGHSSVSA-N 372.606 4.914 0 50 FJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 253499619 LKOAALDQELDYMU-KINXCBNHSA-N 358.522 4.898 0 50 FJAA biogenic C[C@@H]1C[C@@H](NC(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CO1 1875343773 UJQCDIBLMKSYCI-JLTOFOAXSA-N 364.316 4.914 0 50 FJAA CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@@]12CCCN(C)C2=O 2100544631 CCVXMMRNQNSTAA-JOCHJYFZSA-N 371.525 4.552 0 50 FJAA CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 1244061 XBXSENAYJQJPSZ-UHFFFAOYSA-N 368.462 4.865 0 50 FJAA CCSc1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 44938600 HBDDZDBKMZXDOQ-UHFFFAOYSA-N 368.546 4.958 0 50 FJAA Cc1ccc([C@H](C)Cc2c(-c3ccccc3)ncn2Cc2cnn(C)c2C)o1 65507520 ULLKURCMSSPVGY-MRXNPFEDSA-N 374.488 4.888 0 50 FJAA CCc1csc([C@@H]2CCCN(C(=O)NCc3ccc(Cl)s3)C2)n1 172248892 HOJISMNPAOTHIW-LLVKDONJSA-N 369.943 4.510 0 50 FJAA CCCOc1ccccc1NC(=O)c1cc(Br)ncc1Cl 187222356 YDKXACSUFKUGNN-UHFFFAOYSA-N 369.646 4.539 0 50 FJAA CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1cccc(C(C)(F)F)c1 280964272 IQACCRIAERERKQ-INIZCTEOSA-N 362.424 4.774 0 50 FJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N1CCCC[C@H]1CO 299793059 IGFQBXNGFZVDCC-INIZCTEOSA-N 360.841 4.511 0 50 FJAA Cc1nn(C)c(NC(=O)N[C@H](C)c2ccc(F)cc2F)c1-c1ccccc1 1875303736 LCOLXTSYJRNSRA-GFCCVEGCSA-N 370.403 4.556 0 50 FJAA Cc1ccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 808667 YUTRTPDKUSCCHU-MRXNPFEDSA-N 371.695 4.842 0 50 FJAA Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccccc2C)c1 1115657 YHZDNWOXHMABRN-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccc(Br)c1 1125173 RFBQPOGMGDEMFN-UHFFFAOYSA-N 373.077 4.994 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 1144871 ZECCREJMRODVBG-UHFFFAOYSA-N 369.442 4.597 0 50 FJAA O=C(NC1CCCC1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 2867749 PGAIOPRBYWVTSE-UHFFFAOYSA-N 351.837 4.623 0 50 FJAA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 2887799 MZEQKADSDMAXBF-QGZVFWFLSA-N 374.440 4.653 0 50 FJAA CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 2928600 ZRCZENZERHHISS-UHFFFAOYSA-N 357.413 4.881 0 50 FJAA COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccs1 4869038 MEPPEHIVHMPRMD-UHFFFAOYSA-N 361.426 4.619 0 50 FJAA CCOc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 8586819 ROBXZCGAVJTPHB-CQSZACIVSA-N 358.507 4.945 0 50 FJAA Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3F)c12 13961466 PVICDXLUFGRAOK-UHFFFAOYSA-N 370.403 4.729 0 50 FJAA Cc1cccnc1-c1cccc(-c2ccn(CCCc3cccnc3)n2)c1 19781810 PMXYXYGYBQWPJD-UHFFFAOYSA-N 354.457 4.948 0 50 FJAA CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cn1 20603213 JHUUOBRSZZKSNC-UHFFFAOYSA-N 371.366 4.689 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3C)on2)cc1 21791059 NLRSMLRGEQCDJV-HXUWFJFHSA-N 362.429 4.636 0 50 FJAA OCCCn1cnc(-c2ccccc2)c1-c1ccc([C@@H]2CCCO2)s1 65385243 YJHHBQHRIGJVAJ-INIZCTEOSA-N 354.475 4.513 0 50 FJAA COc1ccc(N(C(=O)c2oc(-c3ccccc3)nc2C)C(C)C)cc1F 170641905 PUNQOGPYYSNANM-UHFFFAOYSA-N 368.408 4.853 0 50 FJAA Cc1cc(=O)n(C)cc1NC(=O)N[C@H](CC1CCCCC1)c1ccccc1 470587856 MAXBXDSHVGTEKN-LJQANCHMSA-N 367.493 4.527 0 50 FJAA O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cc(O)nc2ccccc12 1457638321 ZRYRQUOVTKLWBV-QFIPXVFZSA-N 372.399 4.599 0 50 FJAA Fc1ccc(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c(Cl)c1 2084329434 CMTDKJJIFOZVSQ-MOXQZVSFSA-N 374.931 4.874 0 50 FJAA Cc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 824898 BHJSQVIKIJQVTA-ZDUSSCGKSA-N 363.697 4.595 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCCC2 995254 VJUXJMBFSBYQQN-UHFFFAOYSA-N 361.438 4.585 0 50 FJAA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1c(Cl)cccc1Cl 1001969 YIDBNVLCNKCCIE-UHFFFAOYSA-N 364.207 4.630 0 50 FJAA Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 1156681 FFLCBMPMPHQEFS-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA CCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12 1162006 GMOGJPWPYQNTKO-UHFFFAOYSA-N 358.821 4.987 0 50 FJAA biogenic COc1ccc(NC(=O)CSCc2ccccc2Cl)cc1Cl 1174062 ANZFBZCBYCCOJC-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 1215647 GKKMOBCCDOJYTO-KPKJPENVSA-N 370.880 4.991 0 50 FJAA Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccc(F)cc3)s2)c1 1221206 OMBQCNUPMANNPP-JXMROGBWSA-N 352.434 4.833 0 50 FJAA O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 3366251 FFGIMIJJSOTRBL-AWEZNQCLSA-N 361.285 4.609 0 50 FJAA Cc1oc(-c2cccc3ccccc23)nc1CN(Cc1cnn(C)c1)C(C)C 12000748 LGUMSBZGOLNFPK-UHFFFAOYSA-N 374.488 4.947 0 50 FJAA Cc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCCC3)CC2)c1 12385649 KKNBWXRNYMJOLO-UHFFFAOYSA-N 356.510 4.533 0 50 FJAA COc1ccc(-c2ccc(OC)c(Br)c2)cc1Br 44069509 VUOOJGFHEDZGEA-UHFFFAOYSA-N 372.056 4.896 0 50 FJAA in-vitro CC(C)c1cc(N[C@@H](c2ccncc2)c2ccc(F)cc2)n2nccc2n1 72169672 BEFXDNUYOCCAQZ-OAQYLSRUSA-N 361.424 4.588 0 50 FJAA CC(C)N1C[C@H](C)[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@H]1C 165231983 ISISUCXOWWQKPO-YCRNBWNJSA-N 351.490 4.878 0 50 FJAA COc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)O)ccc1F 170641691 OSIVOGNQMKALHZ-UHFFFAOYSA-N 371.389 4.513 0 50 FJAA O=C(NCCc1cccc(Cl)c1)c1ccc(O)c(-c2ccccc2)c1 1875334003 UKJCQFKKAKAOJT-UHFFFAOYSA-N 351.833 4.685 0 50 FJAA Cc1ccccc1C[C@@H](CO)CN[C@H](CCC(C)C)c1cnccc1C 2325842087 NZHAXZZMEVSPOQ-NFBKMPQASA-N 354.538 4.617 0 50 FJAA CCc1oc2ccccc2c1CN(C)C1=NC[C@@H](c2ccc(Cl)cc2)N1 2325864325 MGZDHWYUTJDGKZ-SFHVURJKSA-N 367.880 4.781 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)c1 629405 VTWVDVXTDUMAKX-UHFFFAOYSA-N 358.488 4.536 0 50 FJAA COc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1084484 NURWHIKIOZFWKR-UHFFFAOYSA-N 371.220 4.663 0 50 FJAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c1 2053712 RBSQXGJLEUMVQQ-UHFFFAOYSA-N 356.491 4.609 0 50 FJAA COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2054697 LWTVFWMYOVGKNL-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA Fc1ccccc1-c1nnc2c3ccccc3nc(Nc3ccccc3)n12 3063660 ZZKLPWAYJPXXLG-UHFFFAOYSA-N 355.376 4.827 0 50 FJAA Cc1cc(=O)oc2c(C)c(OC(=O)c3ccc(Cl)cc3Cl)ccc12 4826501 LCSZHYVIVILMIK-UHFFFAOYSA-N 363.196 4.936 0 50 FJAA Cc1c(C(N)=O)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3 8657011 SOEKMZAIKFBEMP-UHFFFAOYSA-N 367.452 4.589 0 50 FJAA CC(C)CNCc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 11786680 QPEUCWVIXAHFMF-UHFFFAOYSA-N 352.409 4.515 0 50 FJAA CC(C)(C)OC(=O)N1CCC(COc2ccc(C(F)(F)F)cc2)CC1 39954024 DCPSRWICRKAUAS-UHFFFAOYSA-N 359.388 4.731 0 50 FJAA Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@H](C)n2cccc2)c1 55360684 MOBALZTVBVPMKY-KRWDZBQOSA-N 361.445 4.557 0 50 FJAA Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1C(=O)N(C)C 67727254 JOZFLELVOFWUBK-UHFFFAOYSA-N 370.836 4.584 0 50 FJAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 72119276 TYWOKTSOLYNKBI-UHFFFAOYSA-N 361.449 4.521 0 50 FJAA Cc1ncsc1-c1nc(CNc2ccc(C(F)(F)F)cc2Cl)no1 132949723 JNQWJGXZLYZMRG-UHFFFAOYSA-N 374.775 4.786 0 50 FJAA Cc1cccc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1Cl 165679622 VPZFVMILYJGHCC-MRXNPFEDSA-N 355.825 4.629 0 50 FJAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(Cl)c(Cl)[nH]1 170624994 VBKFEZWZNNCBRW-OTYXRUKQSA-N 373.667 4.577 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 239309372 HLZNOJRSHYTLRA-JEOQOABZSA-N 353.849 5.335 0 50 FJAA Cc1cccc(COc2ccc([C@@H](C)NC(=O)C[C@@H]3CCCCO3)cc2)c1 1352489243 GGJCZOINSYYAOO-GCJKJVERSA-N 367.489 4.710 0 50 FJAA CC(C)c1noc(C2CCN(Cc3cccc(F)c3C(F)(F)F)CC2)n1 1529169362 XXBPBJMHAYHAKH-UHFFFAOYSA-N 371.378 4.731 0 50 FJAA FC(F)(F)Cc1ccc(-c2nccn2CCCNc2cccnc2)cc1 1857689090 DGYLCWDZLNBNKJ-UHFFFAOYSA-N 360.383 4.552 0 50 FJAA COc1cc(SC)ccc1C(=O)Nc1nnc(C2CCCCC2)s1 792734 OSBRVSKZTXQVMY-UHFFFAOYSA-N 363.508 4.569 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 941941 WWDGTKSANFSXQZ-XBXARRHUSA-N 352.217 4.663 0 50 FJAA biogenic O=C(CSc1nc2ccccc2o1)Nc1cccc(C(F)(F)F)c1 1082645 OHIFYJAOEACYNQ-UHFFFAOYSA-N 352.337 4.577 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1 1133155 QHFWKJCADYEQIV-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 2310922 SUCFAXQLENRKBX-UHFFFAOYSA-N 364.272 4.737 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2cc(C)ccc2C)c(OC)c1 2985471 UDPRVVIYPKBZEK-AATRIKPKSA-N 356.462 4.820 0 50 FJAA COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 4820676 XZAHOZLCWKOFLU-UHFFFAOYSA-N 371.436 4.868 0 50 FJAA O=C(/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 12559871 XFGLUOPONFXOFQ-GHVJWSGMSA-N 356.450 4.947 0 50 FJAA O[C@@H](COCc1ccc(Cl)cc1)CSc1nc2ccccc2s1 23114733 LRPKSOPDEKEBQQ-AWEZNQCLSA-N 365.907 4.620 0 50 FJAA CCn1cncc1-c1c(-c2ccccc2)ncn1CCCC[C@@H]1CCCO1 65528564 CLJKPTDQXYNHDS-LJQANCHMSA-N 364.493 4.783 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CC[C@@H](c2ccccc2F)C1 82109140 VAODJHWWCLYPGV-MRXNPFEDSA-N 366.461 4.503 0 50 FJAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(Oc3ccc(F)cc3)cc1)C2 101815396 DPAYGWLKRGUZEQ-QVDMIQRCSA-N 370.424 4.507 0 50 FJAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 239433966 YUSNVRPMAQCXJP-GMAHTHKFSA-N 374.415 5.077 0 50 FJAA O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)[C@H]1C[C@H]2CC[C@H]1C2 250236408 KFSZYCSMNNWDMM-GVXVVHGQSA-N 364.417 4.786 0 50 FJAA COCc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 252485762 HDGKZDOYYKCSKV-UHFFFAOYSA-N 374.440 4.646 0 50 FJAA Clc1nc(N2CCCC2)sc1CN[C@H](c1ccccc1)c1ccco1 952972578 VLTNLQNBUQMHTL-QGZVFWFLSA-N 373.909 4.869 0 50 FJAA Cc1c(CN2CCC(Cc3ccc(O)nc3)CC2)[nH]c2c(Cl)cccc12 1772809888 GYWVFEFVFXYOBJ-UHFFFAOYSA-N 369.896 4.685 0 50 FJAA Oc1ccc2c(-c3nc([C@@H]4SCCc5ccccc54)no3)cccc2c1 1875322748 FPLCJNOVWYKWRJ-LJQANCHMSA-N 360.438 4.974 0 50 FJAA Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 907497 KAOGWRVEQVEHHD-UHFFFAOYSA-N 367.474 4.701 0 50 FJAA Cc1cc(C)n(-c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)n1 1227001 BLLBJBTUMDWCBT-UHFFFAOYSA-N 355.445 4.558 0 50 FJAA CC(C)(C)c1ccc(-c2noc(CCCC(=O)NC3CCCCC3)n2)cc1 4433300 KLRWESOULDZIEW-UHFFFAOYSA-N 369.509 4.806 0 50 FJAA CN(C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1)c1ccccc1 12138286 HMMZVRXAKFKSOI-UHFFFAOYSA-N 358.441 4.535 0 50 FJAA c1ccc(SCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 13692345 GHJWXYHTQLXDHQ-UHFFFAOYSA-N 363.471 4.626 0 50 FJAA O=C(Nc1ccccc1)O[C@@H]1c2ccccc2OC(=O)N1c1ccccc1 71770233 FTUDVOUBPIMDNL-LJQANCHMSA-N 360.369 4.953 0 50 FJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cn1 74934337 AVJZDKRYPXHWDM-UHFFFAOYSA-N 373.247 4.521 0 50 FJAA in-vitro O=C(c1cc(-c2ccccc2F)n[nH]1)N(Cc1ccc2[nH]ccc2c1)C1CC1 91391095 HZMXMFSSAMENKU-UHFFFAOYSA-N 374.419 4.502 0 50 FJAA COCCN(Cc1ccncc1)C(=O)Nc1ccc(C2CCCCC2)cc1 96131065 XRFHVLUMNGRATM-UHFFFAOYSA-N 367.493 4.810 0 50 FJAA CCOc1ccc(C(=O)Nc2ccccc2NC(C)(C)C)cc1OCC 170610100 BHXBKTVSFQZINA-UHFFFAOYSA-N 356.466 4.947 0 50 FJAA 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 263583467 GPLGAQQQNWMVMM-IGUVAUFDSA-N 356.598 4.810 0 50 FJAA biogenic,in-vitro CCCN1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 299764188 QKLHGYWPEIAMAT-FQEVSTJZSA-N 358.489 4.795 0 50 FJAA Cc1sc(NC(=O)c2cccc3c[nH]nc23)nc1-c1ccc2c(c1)CCC2 464085843 CUEWYECZNYTGSG-UHFFFAOYSA-N 374.469 4.736 0 50 FJAA CC(C)c1ccc(C(=O)N(C)CCC23CC4CC(CC(C4)C2)C3)c(O)n1 1506428668 YBAJZPONCGUSAP-UHFFFAOYSA-N 356.510 4.589 0 50 FJAA Cc1ccc(NC(=O)N2CCCC[C@H]2C)c(NC(=O)N2CCCC[C@@H]2C)c1 640710 QRFCWAJRAAZCNU-SJORKVTESA-N 372.513 4.808 0 50 FJAA CCOc1c(Cl)cc(C(=O)Nc2cccc(C(C)=O)c2)cc1Cl 692786 COKUZHVAUYVESS-UHFFFAOYSA-N 352.217 4.847 0 50 FJAA CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)c1ccccc1 993958 WCMIWQBDVFTJTO-HIFRSBDPSA-N 371.502 4.792 0 50 FJAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 1050865 GIHBXDVRMBKURD-UHFFFAOYSA-N 369.442 4.597 0 50 FJAA CCOC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1182952 GIUKYANYQISJEY-UHFFFAOYSA-N 358.850 4.605 0 50 FJAA CCCSc1nnc2c(n1)O[C@@H](c1ccccc1)Nc1ccccc1-2 2062110 SSBNDNQPIOYCNS-KRWDZBQOSA-N 350.447 4.544 0 50 FJAA COc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1OC 2852935 DTPCHZGDCRSWOP-UHFFFAOYSA-N 358.291 4.506 0 50 FJAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 4667203 YVKDYRWRAQGPAG-MRXNPFEDSA-N 373.518 4.657 0 50 FJAA CCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1 4820357 PFUUNWGOYKOFMB-UHFFFAOYSA-N 362.669 4.801 0 50 FJAA CC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 4828884 PYAQZRJCTYXEDE-UHFFFAOYSA-N 351.830 4.554 0 50 FJAA O=C(COc1ccc2ccccc2c1)NCCC12CC3CC(CC(C3)C1)C2 4834283 OIWJKKBJWCSNDD-UHFFFAOYSA-N 363.501 4.941 0 50 FJAA COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 4843066 NTUHOMAGWABPGB-UHFFFAOYSA-N 357.413 4.799 0 50 FJAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 21791055 GQZDQBOXBXFAIE-LJQANCHMSA-N 350.393 4.766 0 50 FJAA Cc1cc(C(=O)N(C)Cc2cc(-c3cccnc3)no2)c(-c2ccccc2)o1 91593358 ZQDNFYIVYNRUPA-UHFFFAOYSA-N 373.412 4.577 0 50 FJAA O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@@H]1c1ccc(F)cc1 221201881 AGJOBBATGICLKR-LJQANCHMSA-N 369.827 4.847 0 50 FJAA CC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1 641380 WDTQGBWLLOTPTB-UHFFFAOYSA-N 350.483 4.704 0 50 FJAA COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCCC2 657076 XHVPGWGXUQVAKE-UHFFFAOYSA-N 363.866 4.709 0 50 FJAA C[C@H]1CN(C(=S)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H](C)O1 1050765 XLGSPGIOZXDQEM-KBPBESRZSA-N 363.567 4.772 0 50 FJAA CCc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 1134971 NPMCYWWNAPIMHN-UHFFFAOYSA-N 362.212 4.915 0 50 FJAA COc1cc(OC)c(CNc2ccc3c(c2)CCC3)cc1Br 1229399 YIECECRBLVLIGI-UHFFFAOYSA-N 362.267 4.567 0 50 FJAA CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCCC)cc2)cc1 2120989 WIOCVDDTGFYZQG-UHFFFAOYSA-N 355.434 4.685 0 50 FJAA CCOc1ccccc1NC(=O)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 2946805 SGXAUCAUQRTGPL-JKSUJKDBSA-N 350.245 4.611 0 50 FJAA CCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCCC2 4189092 VAGRXIJEWKANIY-UHFFFAOYSA-N 370.518 4.718 0 50 FJAA CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 4785240 QHBLUWJSOMNHAN-UHFFFAOYSA-N 359.838 4.551 0 50 FJAA Cc1ccc(-c2nc(CN(Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)s1 12049137 TXBKBTTZBPNHMD-UHFFFAOYSA-N 372.538 4.781 0 50 FJAA CCCc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cs1 16580154 XSFVXSNCHYZMCT-UHFFFAOYSA-N 356.491 4.579 0 50 FJAA c1cc(-c2cscn2)cc(N2CCC(NCCc3cccs3)CC2)c1 23192913 SFFSDFWRCKZAQY-UHFFFAOYSA-N 369.559 4.673 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccsc2)CCO3)s1 67907986 OZDMGVJPWORBKD-UHFFFAOYSA-N 357.500 4.885 0 50 FJAA O=C(Nc1ccccc1Cc1cccnc1)[C@H]1C[C@H]1c1ccc(F)cc1F 170597727 KGRRQBMBEQPJIT-OALUTQOASA-N 364.395 4.693 0 50 FJAA O=C1C[C@H](CNCc2cccc(-c3ccccc3F)c2)c2ccccc2N1 2325743959 JLAJBKMTKMVEJO-GOSISDBHSA-N 360.432 4.708 0 50 FJAA CC[C@@H](NCc1cnn(CC2CCC2)c1)c1ccc(C(F)(F)F)cc1 2325829224 CLKRWVNQTCZKGA-GOSISDBHSA-N 351.416 4.943 0 50 FJAA O=C(/C=C/c1ccccc1)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 787630 OEDPQWMZUCBDKM-LPQFERQCSA-N 369.679 4.624 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1 1226907 XKFNOBGOFBCSSQ-UHFFFAOYSA-N 364.426 4.604 0 50 FJAA in-vitro CCOc1ccc(Br)cc1-c1noc(-c2ccccc2C)n1 2883804 UVSWHJCJGBCHEZ-UHFFFAOYSA-N 359.223 4.873 0 50 FJAA O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(F)cc1Cl 3069911 TVEMCWDCOUVOPM-UHFFFAOYSA-N 369.006 4.591 0 50 FJAA COc1cccc(CNC(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1 35561781 IFIHFJDICRRBRY-NRFANRHFSA-N 352.478 4.831 0 50 FJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 44934946 MWKLWPJOVVIWOR-SFHVURJKSA-N 368.496 4.532 0 50 FJAA CN(C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCc2ccccc21 179508649 JZFIESKIOOOOJI-INIZCTEOSA-N 356.376 4.652 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N2CCC[C@H](N)CC2)cc1 299790489 BTGFXPRFVINTBT-SFHVURJKSA-N 369.534 4.632 0 50 FJAA COc1cc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)sn1 1875328829 NZKFQZKZUSVBLN-ZDUSSCGKSA-N 350.447 4.640 0 50 FJAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Nc2ccccc2)cc1 657489 ORGGZQGTNYSOEH-NTUHNPAUSA-N 358.397 4.811 0 50 FJAA CCOc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(OCC)c1OCC 668972 ZLEZZXXCGRXLIG-UHFFFAOYSA-N 357.450 4.752 0 50 FJAA CCN(CC)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 674732 UXQHWQLAVYUYLX-UHFFFAOYSA-N 354.494 4.848 0 50 FJAA OCc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1114226 YCUXIZKDBKOYGY-UHFFFAOYSA-N 362.050 4.827 0 50 FJAA Cc1cc(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 1179140 GFVYPODLCVEMQQ-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA CN(C)c1ccc(C2=NN(c3ccc(C=O)cc3)[C@@H](c3ccccc3)C2)cc1 4737686 DLIZRVPRKOSFIO-XMMPIXPASA-N 369.468 4.921 0 50 FJAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1C 12442937 RCTNKFGCXJBWIP-IBGZPJMESA-N 369.505 4.624 0 50 FJAA O=C(CCC1CCN(C2CCCCC2)CC1)NCc1cccc(Cl)c1 12457846 QJVOHCSADWGPJH-UHFFFAOYSA-N 362.945 4.781 0 50 FJAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)c(Cl)c1 18241366 GVPLMAJOTQRHCH-HOTGVXAUSA-N 353.805 4.588 0 50 FJAA COc1ccc(OC)c(CN(CCc2ccccc2)Cc2ccccc2)c1 19633147 HHXYQWUTMYGPMT-UHFFFAOYSA-N 361.485 4.949 0 50 FJAA CSCc1ccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)o1 65386198 ADWMNTBOKZZPLY-HXUWFJFHSA-N 366.486 4.674 0 50 FJAA c1ccc(-c2ncn(Cc3cnc4ccccc4c3)c2-c2ncc[nH]2)cc1 67805758 SSRYBGYWHXSPDO-UHFFFAOYSA-N 351.413 4.537 0 50 FJAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCSCC2)cc1 72453651 YQUQAVXPJRJAOP-UHFFFAOYSA-N 364.514 4.768 0 50 FJAA Cc1ccc(CN2CCC3(CC2)Nc2ccccc2NC3=O)c2ccccc12 82139111 JAUGGYMYVLMVNJ-UHFFFAOYSA-N 371.484 4.547 0 50 FJAA CCOc1ccccc1CNc1ccc(C(=O)N2CCCCCC2)cc1 170615604 FXJITHKFWMEAIB-UHFFFAOYSA-N 352.478 4.714 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)N(C)C3[C@H](C)CCC[C@H]3C)cc2)nn1 170644027 RGPQGVSMZRDIDZ-HUUCEWRRSA-N 368.481 4.866 0 50 FJAA CCCN(Cc1ccccc1)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 248319387 QIYXRCMWBVNVIS-UTKZUKDTSA-N 361.913 4.691 0 50 FJAA Cc1sc2nc([C@H](C)N3CCC[C@H]3c3ccsc3)nc(O)c2c1C 253531056 SFQSUEAQEVWPDA-FZMZJTMJSA-N 359.520 4.973 0 50 FJAA CCCO[C@H]1CCCN(C(=O)Nc2ccc(SCc3ccco3)cc2)C1 299779730 IKRBQLFNEVPROJ-KRWDZBQOSA-N 374.506 4.995 0 50 FJAA c1csc(-c2cc3c(c(O[C@H]4CCc5ccccc54)c2)OCCNC3)c1 299780305 KSLSQLDTOHJTBG-IBGZPJMESA-N 363.482 4.963 0 50 FJAA Cc1ccsc1-c1ccc(C(=O)N(C)Cc2cnn(C(C)C)c2)cc1 426477682 FXAHPLJMDQDCGQ-UHFFFAOYSA-N 353.491 4.773 0 50 FJAA CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@H](CC)c2ccccn2)cc1 426544450 QZSYZUNFFMFAFK-OAQYLSRUSA-N 374.488 4.633 0 50 FJAA COC(C)(C)CCC[C@H](C)CCNCCOc1cccc2cccnc12 952860226 IRZPQFNNARIDBC-SFHVURJKSA-N 358.526 4.825 0 50 FJAA Oc1ccc(Cl)c(CN=c2[nH]c(C(F)(F)F)cc3ccccc23)c1 1875343321 XHIQZPUYBHGCJG-UHFFFAOYSA-N 352.743 4.647 0 50 FJAA COCc1nc(-c2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)co1 2325756071 OYCOKZHULVGCSI-GFCCVEGCSA-N 373.478 4.751 0 50 FJAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)C1(c2ccccc2)CCCC1 2325841578 AFZZYYXCSUSFPO-NHCUHLMSSA-N 351.534 4.636 0 50 FJAA c1ccc(CCN(Cc2cnc(-c3ccccc3)s2)[C@@H]2CCOC2)cc1 2325870191 MJBQBUBHCAWHPQ-HXUWFJFHSA-N 364.514 4.644 0 50 FJAA COc1cccc2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc12 1202784 DINWCVZZNFRGCD-UHFFFAOYSA-N 367.880 4.532 0 50 FJAA COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1Cl 2857886 STDBVFULQNLQSW-UHFFFAOYSA-N 371.820 4.920 0 50 FJAA S=C1NC(C23CC4CC(CC(C4)C2)C3)=C[C@H](c2ccc(Cl)cc2)N1 4670999 VVIROQZSAINOAX-ANCGMVAHSA-N 358.938 4.959 0 50 FJAA O=C(CSc1ccc(Br)cc1)Nc1cc(Cl)ccc1O 4820548 UPIJNLAGWZBSMY-UHFFFAOYSA-N 372.671 4.539 0 50 FJAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 6844611 QPZPHFDDLJAYTD-NEPJUHHUSA-N 364.898 4.636 0 50 FJAA O=C(CCc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 12138654 BQCCINXOERYOAH-UHFFFAOYSA-N 359.429 4.902 0 50 FJAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)Cc1c[nH]c2ccccc12 55370933 CSVSSMXUBIEIDW-UHFFFAOYSA-N 363.461 4.786 0 50 FJAA CCC(CC)N(CC)C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)ccc12 63883363 PSLROVIEKYOJHQ-UHFFFAOYSA-N 364.493 4.594 0 50 FJAA Cc1nc2ccc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)cc2nc1C 91756010 PXKBSKWSLZTGRI-MRXNPFEDSA-N 365.864 4.530 0 50 FJAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 181097442 FWGPZOTZTXKKGT-GXTWGEPZSA-N 370.403 4.910 0 50 FJAA Cn1c(-c2ccccc2)cn(CC(=O)c2ccc(-c3ccccc3)cc2)c1=N 334157592 PVUUAPADUNZJDB-UHFFFAOYSA-N 367.452 4.523 0 50 FJAA COc1ccc(CSc2ccccc2C(=O)N[C@H]2CC[C@H](C)CC2)nc1 2325895213 DGQWEHIQXIQFOP-WKILWMFISA-N 370.518 4.691 0 50 FJAA CSc1ccc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1 641819 VDVGCSGJEPMQRC-UHFFFAOYSA-N 355.246 4.677 0 50 FJAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC2CCCCC2)c1C 778027 YCQJYQCJFVAFRC-UHFFFAOYSA-N 356.491 4.680 0 50 FJAA COc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)cc1 1778320 FWHLDADXPVZKFI-UHFFFAOYSA-N 353.340 4.512 0 50 FJAA CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 2865360 XEDMFSGWJXFPLL-DLBZAZTESA-N 350.462 4.500 0 50 FJAA CCCCOc1ccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 2880174 FBZSUPUTVXKVKN-UHFFFAOYSA-N 363.841 4.788 0 50 FJAA CCOc1ccc(Nc2nc(-c3c(C)nc4sccn34)cs2)cc1 15686475 GFBWFHBEQJJBIU-UHFFFAOYSA-N 356.476 4.970 0 50 FJAA C[C@H]1[C@H]2CCCN2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 22078188 QZDKTMYGVONXAB-OXJNMPFZSA-N 358.570 4.656 0 50 FJAA O=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccc(F)cc1 25781576 LBZQGRXAPFFRQX-UHFFFAOYSA-N 369.154 4.823 0 50 FJAA Cc1cccc2c(C(=O)N3CCCCC3)cc(-c3cnc(C(C)C)nc3)nc12 82039626 SHSQBFYNOWAFBM-UHFFFAOYSA-N 374.488 4.750 0 50 FJAA O=C(Nc1cnccc1-c1ccccc1)[C@@H]1CCOc2ccc(Cl)cc21 429227738 PAWUHTGQYHFONK-QGZVFWFLSA-N 364.832 4.907 0 50 FJAA CN(C)Cc1csc(CNC[C@@H](c2ccccc2)N2CCCCCC2)c1 952971671 KWLYUQUTPDQKHR-QFIPXVFZSA-N 371.594 4.517 0 50 FJAA Cc1nc([C@@H](C)NC(=O)/C=C/c2ccc(-c3ccccc3F)s2)[nH]c1C 2325731497 UAZQEQJVBDCUPR-CFRMROPGSA-N 369.465 4.785 0 50 FJAA COc1ccc(NC(=O)Nc2cc(Cl)c3ccc(OC)cc3n2)cc1 640738 KBBAVOIQGDJGRF-UHFFFAOYSA-N 357.797 4.549 0 50 FJAA O=C1N[C@H](c2ccccc2Cl)Nc2c1sc(=S)n2-c1ccccc1 843006 GCRSECULWAXJOD-CQSZACIVSA-N 373.890 4.776 0 50 FJAA O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccco1 992648 FXOZFAUJBRQWEQ-UHFFFAOYSA-N 366.442 4.725 0 50 FJAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)cc1 1179748 FZJJEWFGGNYJGS-UHFFFAOYSA-N 370.861 4.629 0 50 FJAA Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc(Cl)cc1 1400714 XTXKUSRZJFEIQB-UHFFFAOYSA-N 352.743 4.813 0 50 FJAA CCOc1cc(C=O)cc(Br)c1OCc1ccc(Cl)cc1 4342692 WYDNBTQNMSYSTM-UHFFFAOYSA-N 369.642 4.893 0 50 FJAA Cc1cc(Br)ccc1NC(=O)c1c(-c2ccccc2)noc1C 4672793 SGYDFNQDCRAPCO-UHFFFAOYSA-N 371.234 4.973 0 50 FJAA Cc1cccc(C[C@@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)c1 4753771 QDSOHFMHPYMPGB-PJVWNMJMSA-N 365.517 4.519 0 50 FJAA COc1cc(NC(=O)CCSc2ccc(C)cc2)c(OC)cc1Cl 4867678 JFSSNWDBFHQHAN-UHFFFAOYSA-N 365.882 4.787 0 50 FJAA Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)cc1 13593815 ATKFQPJQNPDUPH-HSZRJFAPSA-N 374.463 4.541 0 50 FJAA CCn1c(SCCCc2cncc3ccccc23)nnc1-c1ccco1 170597160 IJVMQDWQKKFDQH-UHFFFAOYSA-N 364.474 4.831 0 50 FJAA O=C(N[C@H]1Sc2ccccc2N=C1c1ccc(F)cc1)c1ccccc1 334161959 HYEMVXYFLNRQOK-NRFANRHFSA-N 362.429 4.808 0 50 FJAA CN(CC[C@@H]1CCc2ccccc21)C[C@H](O)c1cccc(Br)c1 1460238526 QMTZLPHDIXWDLO-JXFKEZNVSA-N 374.322 4.534 0 50 FJAA CC1(C)C[C@](CCn2ccnc2-c2ccncc2)(c2ccccc2)CCO1 1857668631 RWCSFAUTMPVFKA-HSZRJFAPSA-N 361.489 4.862 0 50 FJAA C[C@H](NCc1ccc(-c2cnco2)cc1)c1ccccc1Br 1875338547 BCOYZLKOVBZZRC-ZDUSSCGKSA-N 357.251 4.955 0 50 FJAA Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c3c(c(=O)oc2c1)CCC3 634053 NUJLTJRZAZGPHV-UHFFFAOYSA-N 368.816 4.505 0 50 FJAA biogenic CCOc1ccccc1-c1cc(C(=O)Nc2ccon2)c2ccccc2n1 1002619 BEBVCWMRYJXWCZ-UHFFFAOYSA-N 359.385 4.541 0 50 FJAA CCOc1ccccc1Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 1123759 BKBZOUVQULGLQQ-UHFFFAOYSA-N 353.447 4.911 0 50 FJAA O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1ccccc1F 1134455 FEZJJRXYNQLDJN-UHFFFAOYSA-N 374.367 4.742 0 50 FJAA COc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1OC 2846469 AGABJZGIKYIBFJ-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA COc1cccc(OC)c1OCCCOc1cc(C)c(Cl)c(C)c1 2984077 DPKIBGAJBRNQTO-UHFFFAOYSA-N 350.842 4.822 0 50 FJAA C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 4676252 UZLGOHSCYBOAIB-HNNXBMFYSA-N 374.887 4.569 0 50 FJAA Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1C 9007510 LARMFQLPCNPBHZ-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA CSc1ccc(CN2CCC[C@](CO)(Cc3ccccc3C)C2)cc1 15072276 CRLTYSFVFXESTA-QFIPXVFZSA-N 355.547 4.534 0 50 FJAA CCCc1nc(Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)cs1 65452865 QJVDBIMKXQSFGP-MRXNPFEDSA-N 353.491 4.511 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1C 101704782 BVYQQUAKLMRBDS-LRGYGIHKSA-N 361.441 4.631 0 50 FJAA CCC[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 227154788 CCGRPORSSRFJFU-QGZVFWFLSA-N 352.409 4.794 0 50 FJAA O=C(N1CCC(c2ccc(F)c(F)c2)CC1)N1CCSc2ccccc21 2325721168 CMWNMRPWWZRINH-UHFFFAOYSA-N 374.456 4.877 0 50 FJAA O=C(NCCCCCOC1CCCCC1)NCc1ccc2ccoc2c1 2325736051 WSTHKIPQHPWKGZ-UHFFFAOYSA-N 358.482 4.752 0 50 FJAA Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)cc2)o1 2325745366 LJWXOVNHWQMSPP-JXFKEZNVSA-N 373.456 4.727 0 50 FJAA Nc1nc(-c2ccc(-c3ccc(-c4csc(N)n4)cc3)cc2)cs1 654377 FXTKOGNMJJYSKK-UHFFFAOYSA-N 350.472 4.765 0 50 FJAA O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1Cl)c1ccco1 908400 PWEPFLLQZJOOEG-UHFFFAOYSA-N 358.756 4.577 0 50 FJAA O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1ccccc1 1057508 AHSBUICAJHOMAC-FQEVSTJZSA-N 371.367 4.682 0 50 FJAA Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1Cl 1125063 NKBNQOFBYCLGAY-UHFFFAOYSA-N 354.793 4.746 0 50 FJAA CC(C)(C)c1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1 1178916 OXVMRDCISUUIHU-UHFFFAOYSA-N 358.235 4.915 0 50 FJAA O=C(COc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 1185833 FWGFHMZSZBWCEW-UHFFFAOYSA-N 351.833 4.625 0 50 FJAA O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1213804 MQMOGSZBSLJNSH-NRFANRHFSA-N 368.429 4.614 0 50 FJAA CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 1219991 XQBWHVRVIYWFSR-UHFFFAOYSA-N 354.631 4.754 0 50 FJAA Cc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1C 1233594 XYVUVEWVMUSKBH-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA CC[C@@H](COC(=O)Nc1cccc2ccccc12)NC(=O)OCC(C)C 2812207 UAAOEIDPJHNFTA-INIZCTEOSA-N 358.438 4.549 0 50 FJAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1O 3189243 NAEAOSNDDWJJNA-UHFFFAOYSA-N 366.413 4.588 0 50 FJAA biogenic Cc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 4844939 DBNARJVDJWLVGB-UHFFFAOYSA-N 374.509 4.712 0 50 FJAA O=C(c1cc2ccccc2s1)N1CCC[C@H](Nc2cccc(F)c2)C1 12299215 ZOZQRYGPRPRAEH-KRWDZBQOSA-N 354.450 4.757 0 50 FJAA O=C(CCc1ccccc1)Nc1ccccc1Oc1ccsc1C(=O)O 12959867 JLHYXLSVYYSXKW-UHFFFAOYSA-N 367.426 4.810 0 50 FJAA COc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)c(OC)cc1Cl 14397351 NIAUTUIPPJDUHG-UHFFFAOYSA-N 374.868 4.600 0 50 FJAA Cc1cccc(CN2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)n1 67789757 NXWZJJCSDJKWDK-UHFFFAOYSA-N 366.486 4.527 0 50 FJAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CC[C@@H]1c1ccccc1 95382743 UVJFTVLYVCSNKP-OAQYLSRUSA-N 353.425 4.589 0 50 FJAA Cc1cc(C)c2c(=O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)[nH]c2c1 135871507 YQRANECABFFVME-HXOBKFHXSA-N 352.522 4.854 0 50 FJAA C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 239173814 OSTLLWRZYOJDGD-IEIALMLTSA-N 365.542 5.461 0 50 FJAA Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)s1 467747909 WATVEPIMZFAXGY-UHFFFAOYSA-N 355.790 4.530 0 50 FJAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1O 1875342705 DKQGAHIPHPEPGC-BIDJCCMMSA-N 361.570 4.677 0 50 FJAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1OC 949058 OJUQRKUSXRHQJZ-UHFFFAOYSA-N 350.418 4.781 0 50 FJAA Cc1cccc(C)c1NC(=O)CSCc1ccc(Br)cc1 1178930 ZZJDRZKSWTTXIY-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA CCOC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 2856734 IBQCPJVUKLSGOF-UHFFFAOYSA-N 369.273 4.979 0 50 FJAA O=C(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccc(F)cc1 4050291 XJKMZWCBBJZJJO-UHFFFAOYSA-N 371.371 4.564 0 50 FJAA CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)c(Cl)c3)C(=O)[C@@H]2C1 18241258 ROXLGCOETMJJBV-IAGOWNOFSA-N 367.832 4.978 0 50 FJAA CCCCCCC(=O)N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl 22205091 KVWMTUZLRRQJQY-HNNXBMFYSA-N 365.732 4.559 0 50 FJAA CC(C)CC(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 23367513 MTVSYQCMRPEXSC-SFHVURJKSA-N 361.489 4.982 0 50 FJAA Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(C(C)C)nc3)nc12 63883297 RKIVKIFBKMXHJP-UHFFFAOYSA-N 362.477 4.604 0 50 FJAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 77485594 NEASZBCMAPYENE-JOCHJYFZSA-N 361.489 4.597 0 50 FJAA O=C(Nc1ccccc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 102300845 ZTFXEDMPPISASV-DZFITWGMSA-N 368.436 4.652 0 50 FJAA Cc1ccc(C)c(OC2CCN(Cc3csc([C@@H]4CCCO4)n3)CC2)c1 179490123 LBOUGFMYETVTQD-IBGZPJMESA-N 372.534 4.655 0 50 FJAA CC(C)c1nnc([C@H](C)NC(=O)Nc2cccc(SC(F)(F)F)c2)o1 299798420 RZEZCRISQFBOQQ-VIFPVBQESA-N 374.388 4.688 0 50 FJAA CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 470658129 XBIFOFYBHCIYNX-JOCHJYFZSA-N 350.506 4.547 0 50 FJAA Cc1cc(=O)nc(-c2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)cc2)[nH]1 534646714 NEIVRZDQYNYLMH-QGZVFWFLSA-N 359.473 4.569 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CCn3cccn3)cc2)o1 825197932 WLTLLGMEYMSVQQ-FQEVSTJZSA-N 363.461 4.537 0 50 FJAA CC(=O)c1cc(CC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cs1 952869290 ZLLMFBYZCICFJI-GOSISDBHSA-N 359.466 4.776 0 50 FJAA O=C(CCc1cccc(O)c1)NCc1ccc(-c2ccccc2Cl)o1 1772703145 CLRAHLPLHXXBEH-UHFFFAOYSA-N 355.821 4.555 0 50 FJAA O=C(Nc1cccc(-c2ccncc2)c1)c1cccc([C@H]2CCCOC2)c1 1875338865 OFLGYZZYBIOQRE-NRFANRHFSA-N 358.441 4.895 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cccs1 852984 JZMGJSCYNWXRFR-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA CC(=O)Nc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 903304 UMBMYPGWVGRNSJ-UHFFFAOYSA-N 369.808 4.514 0 50 FJAA O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)Nc1ccccc1 1116742 VWCNTYLDPVUBSS-UHFFFAOYSA-N 372.399 4.650 0 50 FJAA COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 1210542 NKJZKJBYEQNULF-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA CCOc1ccc(-n2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 1211194 WNLCDZWBEPIHGX-UHFFFAOYSA-N 356.425 4.760 0 50 FJAA CC(C)CCSc1nc2sc3c(c2c(=O)n1C)CCc1ccccc1-3 2228781 YBIYHSPMOWIRQI-UHFFFAOYSA-N 370.543 4.899 0 50 FJAA CCCCN(CC)c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2276262 UEWNPJBQMLJBPO-UHFFFAOYSA-N 370.522 4.717 0 50 FJAA Cc1cccc(Cn2cnc(NC(=S)Nc3cccc4ccccc34)n2)c1 2782508 GETOBJYMFAECMP-UHFFFAOYSA-N 373.485 4.597 0 50 FJAA Cc1c(O)ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc12 5611628 WTSXGZAXEIBWCU-UHFFFAOYSA-N 354.255 4.757 0 50 FJAA Cc1nc([C@@H](C)N(C)C(=O)c2csc(-c3cccs3)n2)c(C)s1 82096657 ZYNXQPHQBCVAKT-SECBINFHSA-N 363.533 4.778 0 50 FJAA COc1ccc([C@H]2CCCN2C(=O)Nc2cc(Cl)cc3c2OCC3)cc1 120561735 RSTYMVXQSRZKQM-GOSISDBHSA-N 372.852 4.653 0 50 FJAA O=C(c1ccccc1Cl)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 263639625 ARSWEPKLQNRJPJ-IUCAKERBSA-N 359.697 4.543 0 50 FJAA Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1NC(=O)C(C)(C)C 1616094644 YKGKVZJVIIWKHW-MSOLQXFVSA-N 350.462 4.722 0 50 FJAA CCCOc1ccc2ccccc2c1CN1CCC[C@]2(CCC[C@H]2O)C1 1704342517 DXTJGIZPRAIMNJ-DHIUTWEWSA-N 353.506 4.756 0 50 FJAA C[C@@H](NC(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 756363 GWGHORCJADMCPA-QZTJIDSGSA-N 372.468 4.669 0 50 FJAA Cc1nc2c(Cl)cccc2c2c1C[C@H]([C@@](C)(Cl)Br)O2 759537 MULZKSKWAMYURR-BXUZGUMPSA-N 361.066 4.850 0 50 FJAA Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc12 935413 LWBYPVKYVIHFMO-HNNXBMFYSA-N 365.429 4.631 0 50 FJAA CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1112067 ZYLCOTTVTFWTKB-UHFFFAOYSA-N 367.452 4.908 0 50 FJAA COc1ccccc1NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 1168498 IOXHGDLLDSKTMN-KQVJYAISSA-N 355.437 4.931 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC([C@H](O)c2cccs2)CC1 11818575 SOIUGOLZUQNOBF-SFHVURJKSA-N 374.531 4.719 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(C[C@H]3CC=CCC3)C2)c(F)c1 12242426 XIOQELYSBBYAKV-HOTGVXAUSA-N 357.448 4.891 0 50 FJAA CC(C)c1ccc(OCC(=O)N(c2ccccn2)C2CCCCC2)cc1 17440365 XOARQIDCDITQOF-UHFFFAOYSA-N 352.478 4.950 0 50 FJAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1c[nH]nc1-c1cccc(F)c1 92061696 UNGXFJLIOAJOFK-LJQANCHMSA-N 366.440 4.614 0 50 FJAA O=C(c1cc(-c2cc(OC(F)(F)F)ccc2Cl)c[nH]1)N1CCCCC1 96141485 ADTBDNKGVBKASG-UHFFFAOYSA-N 372.774 4.860 0 50 FJAA CCOc1ccc(NC(=O)N(C)[C@@H](C)c2nc(C)sc2C)c(F)c1 96180797 FROMBZJJBYOASE-JTQLQIEISA-N 351.447 4.523 0 50 FJAA CC(C)COc1cc(F)cc(-c2cc(C(=O)N3CCCCC3)ccn2)c1 97527266 DHFAAZASFTTWHD-UHFFFAOYSA-N 356.441 4.549 0 50 FJAA CC(=O)Nc1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1F 124702680 OMFYSLIDOLOOGC-UHFFFAOYSA-N 374.721 4.709 0 50 FJAA CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@H]2C)N([C@H](C)CCc2ccccc2)C1=O 245253567 HVPIHAPTVNHLJF-NMIRTCPBSA-N 368.565 4.927 0 50 FJAA Cc1ccc(-c2nnc([C@H](C)N3CCC[C@@H](c4ccncc4)C3)o2)cc1C 333749930 XMDBQLZKMYBDIK-FXAWDEMLSA-N 362.477 4.689 0 50 FJAA Cc1nnc(-c2cccc(C(=O)N3CC=C[C@@H]3C(C)C)c2)c2ccccc12 584895358 HSDKIGJMRBNFSS-OAQYLSRUSA-N 357.457 4.642 0 50 FJAA Cc1cc2sc(NC(=O)c3ccc(Br)o3)nc2cc1Cl 623538 BJLZAKRWTYVRKW-UHFFFAOYSA-N 371.643 4.866 0 50 FJAA O=C(NC[C@@H]1CCCO1)c1ccc(CSc2ccc(Cl)cc2)cc1 833349 NZIACMZEAPBGII-KRWDZBQOSA-N 361.894 4.541 0 50 FJAA Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccc(Br)c1 934663 ZDPBDWUMOACKFE-NSHDSACASA-N 368.658 4.817 0 50 FJAA Nc1c(-c2ccccc2)c(COc2ccccc2)nn1Cc1ccccc1 1079465 HYOBHNFPFWRALT-UHFFFAOYSA-N 355.441 4.760 0 50 FJAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(O)c2)C3=O)cc1C 1155242 BKZCVADJQDBVOO-UHFFFAOYSA-N 359.381 4.602 0 50 FJAA O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 1201044 PRVBUHYSNSQUAK-UHFFFAOYSA-N 360.438 4.981 0 50 FJAA CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc2ccccc12 2821253 CNQBWKKGXJQQMC-XLNRJJMWSA-N 372.468 4.527 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 4148892 NAYSKQRCCYBSED-DETPVDSQSA-N 357.475 4.643 0 50 FJAA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)/C=C/C(C)C)C2)c1 14993494 PYJHIXKTWUSJRO-CTDFXDFQSA-N 363.505 4.679 0 50 FJAA Cc1n[nH]c(C)c1CCCn1cnc(-c2ccccc2)c1-c1cccnc1 67605371 VNLOSPIGUHVORT-UHFFFAOYSA-N 357.461 4.585 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3CCn3ccnc3C)oc2c1 82134997 RTGVGDZYRBWQMS-GOSISDBHSA-N 365.477 4.640 0 50 FJAA Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCC1 84703540 GMJUPMONHWAZCP-UHFFFAOYSA-N 371.444 4.983 0 50 FJAA in-vitro COC(=O)Nc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1F 181078981 HJTSJHQOMZNGBH-LBPRGKRZSA-N 355.369 4.832 0 50 FJAA Cc1nc(C(F)(F)F)c(CNc2ccc(-n3cccn3)cc2C)s1 252498649 RHBWIUOYNPBZNR-UHFFFAOYSA-N 352.385 4.577 0 50 FJAA CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cccc(Cl)c2Cl)C1 464775001 NDPOVBDKFJVYAU-RYUDHWBXSA-N 361.338 4.538 0 50 FJAA Cc1cccnc1CN(Cc1ccccc1)C(=O)NC1(C)CCCCC1 534592151 IITXBKLFPDUYJL-UHFFFAOYSA-N 351.494 4.825 0 50 FJAA COc1ccc([C@H](C)NC(=O)N(Cc2ccc(SC)cc2)C2CC2)cc1 670441827 RRTJHNQBWRVORJ-HNNXBMFYSA-N 370.518 4.852 0 50 FJAA O=C1C[C@@H](CO)CN1c1ccc(-c2ccc(Cl)c3ccccc23)cc1 2325860988 BGSUSDBJKHKBBR-CQSZACIVSA-N 351.833 4.505 0 50 FJAA O=C1C[C@@H](C(=O)N(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)O1 754087 UGMLJFDSUBDKKQ-IRLDBZIGSA-N 357.409 4.656 0 50 FJAA CCCc1nc2ccccc2n1C[C@@H](O)COc1cccc2ccccc12 857464 XVZXIEPDUSRTHB-GOSISDBHSA-N 360.457 4.582 0 50 FJAA C[C@H]1Cc2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)ccc2O1 969970 XKCWWHDHXAGVGB-OYHNWAKOSA-N 356.425 4.781 0 50 FJAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cccc2ccccc12 2544871 ZFYQRAIRUCGBTP-UHFFFAOYSA-N 355.224 4.905 0 50 FJAA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1Cl 2830442 DWDCKTMCUWYROD-UHFFFAOYSA-N 354.789 4.544 0 50 FJAA CCCCCCSc1nc2ccc(Br)cc2c(=O)n1CC 2866283 QYHLFJOITGAKBA-UHFFFAOYSA-N 369.328 4.851 0 50 FJAA COc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)Nc1nccs1 5059919 RYEMHXJRJAHDHG-UHFFFAOYSA-N 368.502 4.872 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3ccccc3Cl)c2C)cc1 12030140 LMMKSDDYFLDQAA-CQSZACIVSA-N 355.869 4.694 0 50 FJAA COc1cccc(-c2cccc(N3CCC(NCc4cccnc4)CC3)c2)c1 19221753 ICNDNKIICVAFDP-UHFFFAOYSA-N 373.500 4.516 0 50 FJAA FC(F)(F)c1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1 22454559 CQGSWLMBKXLJID-WEVVVXLNSA-N 360.423 4.536 0 50 FJAA COc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2C)no1 36619718 ZJWQBIFXZIBBEG-IBGZPJMESA-N 362.429 4.636 0 50 FJAA Cc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)o1 43022890 YKPZTRJOKPVQJQ-AWEZNQCLSA-N 357.404 4.636 0 50 FJAA CCC[C@@H](C)c1c(-c2ccccc2)ncn1C1CCN(C(=O)NCC)CC1 65369728 NOMHYKRGWQNTBR-QGZVFWFLSA-N 368.525 4.820 0 50 FJAA CN(C(=O)Nc1nc(C2CCOCC2)cs1)[C@@H]1CCC[C@@H]1C(C)(C)C 333582088 ABEXPSKBOVMHEU-GOEBONIOSA-N 365.543 4.716 0 50 FJAA COc1cccc([C@H](NCC23CCOC(C)(C2)C3)c2ccc(Cl)cc2)c1 2325829311 FYPOCQJNQAVCRH-ITAUSPCMSA-N 371.908 4.987 0 50 FJAA Cc1coc(-c2nc(-c3ccc4ccccc4c3)nn2[C@@H]2CCOC2)c1C 2325839971 KUBUNDPLAKRMHE-LJQANCHMSA-N 359.429 4.937 0 50 FJAA Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)c(C)c2)cc1 688972 UDKBFAMXBMLJTL-STZFKDTASA-N 374.440 4.614 0 50 FJAA CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 991893 SSVXSQBPKWCVSE-JOCHJYFZSA-N 359.425 4.899 0 50 FJAA O=S(=O)(Nc1cccc(F)c1)c1cc(Cl)c(Cl)cc1Cl 1027560 SARVOJRCAZDDMY-UHFFFAOYSA-N 354.617 4.587 0 50 FJAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Br)cc2C)c1 1117924 HHCMESYMBNJIAB-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA CCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12 1154045 KBTSCQJOKYFDPR-UHFFFAOYSA-N 359.219 4.697 0 50 FJAA CCOC(=O)c1cc(C)sc1NC(=O)Cc1c(Cl)cccc1Cl 2801026 NRYQVKHPBQGIQO-UHFFFAOYSA-N 372.273 4.721 0 50 FJAA O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccs1 4842220 ZMNQUHFTHOOZCM-UHFFFAOYSA-N 355.806 4.857 0 50 FJAA Cc1cccc(NC(=O)COc2ccccc2CN[C@H](C)c2ccccc2)c1 4853824 CAQVTWMVWQNIIU-LJQANCHMSA-N 374.484 4.863 0 50 FJAA Cc1ccccc1OC1CCN(Cc2nc(-c3ccco3)oc2C)CC1 12764311 JMXGBTNRAOCIIL-UHFFFAOYSA-N 352.434 4.595 0 50 FJAA C[C@@H](c1ccco1)N(C)Cc1ccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)cc1 32573435 YUZQVMVXEQCTHQ-HNNXBMFYSA-N 365.477 4.520 0 50 FJAA O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC(c2ccncc2)CC1 65382924 ZDFRBRONKOABCT-NRFANRHFSA-N 360.457 4.603 0 50 FJAA C[C@H](c1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1)N(C)C 67755753 IUJXTCJEMVXBIC-QGZVFWFLSA-N 371.488 4.611 0 50 FJAA Cc1c(C(=O)N(CCc2ccccc2)Cc2cccnc2)[nH]c2ccccc12 216350630 NYQQCKBVQXSADV-UHFFFAOYSA-N 369.468 4.756 0 50 FJAA 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 257349423 OAWOATRDZLDNDV-OLJMEDMQSA-N 362.554 4.769 0 50 FJAA CC(C)(C)c1cnc(CCC(=O)N2C[C@H]3CC[C@@H](C3)[C@H]2c2ccccc2)o1 374642875 RJAHTXKYXNVTGN-SGXKBVARSA-N 366.505 4.905 0 50 FJAA CC(C)Oc1nccn2c(-c3ccc([C@H](C)N4CCCCC4)cc3)cnc12 2356145283 JJRGDIYFZSUOGH-KRWDZBQOSA-N 364.493 4.730 0 50 FJAA Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1C 885955 UAKLZPWQKJCPJJ-UHFFFAOYSA-N 356.429 4.598 0 50 FJAA Cc1ccc(O)c([C@@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c1 1161786 SJWBLBROXZZCCA-UGKGYDQZSA-N 373.496 4.970 0 50 FJAA CCOP(=O)(OCC)[C@@H](Nc1cccc(C)n1)c1ccccc1OC 4698546 JDJVVFBLHUWABS-GOSISDBHSA-N 364.382 4.775 0 50 FJAA Fc1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 4776573 JFQLSFDKEBGXRK-UHFFFAOYSA-N 365.220 4.966 0 50 FJAA Cc1cc(C)cc(NC(=O)Cc2csc(COc3cccc(C)c3)n2)c1 8673815 FDSBRJJQOYRKFT-UHFFFAOYSA-N 366.486 4.829 0 50 FJAA O=C(C1CCC1)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12151284 UTFNKSRJGMEAOM-SFHVURJKSA-N 359.473 4.736 0 50 FJAA CCCN1CCC(n2c(Cc3ccc(OC)cc3)nc3ccccc32)CC1 14991107 GVONSZZCBFWIRH-UHFFFAOYSA-N 363.505 4.683 0 50 FJAA Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3F)c2n1 20603254 NJDSHZCRIAPUDJ-UHFFFAOYSA-N 371.366 4.515 0 50 FJAA CCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cc1 22457941 SAXJLWBOWHZHOY-UHFFFAOYSA-N 370.412 4.613 0 50 FJAA c1ccc(-c2cccc(N3CCC(NCCc4cccnc4)CC3)c2)cc1 23380467 UPWSBQOYEZJKKL-UHFFFAOYSA-N 357.501 4.550 0 50 FJAA CCCN(Cc1ccc(SC)cc1)Cc1cnc(-c2ccccn2)nc1 55393744 YHNLYSKKJVHBRY-UHFFFAOYSA-N 364.518 4.673 0 50 FJAA BrC1(Br)[C@]23CC=CC[C@]12Cc1ccccc1C3 71785830 VRXMJVLAEYAFRM-OKILXGFUSA-N 354.085 4.608 0 50 FJAA C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCc2ccc(F)c(F)c2)c1 95520561 WXOWEPUGBPJLNN-OAHLLOKOSA-N 373.447 4.661 0 50 FJAA CCN(CC1CCOCC1)C(=O)Nc1ccc(/C=C/c2ccccn2)cc1 96179810 CYVPOEQPUCFZAD-RMKNXTFCSA-N 365.477 4.532 0 50 FJAA Cc1ccc([C@H](C)NC(=O)c2cc(N3CCCCC3)ccc2Cl)nc1 244795376 RFEDDDBYQFZTGD-HNNXBMFYSA-N 357.885 4.525 0 50 FJAA 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 253498061 KHEZIAQMLFFOSK-UOFIOIPNSA-N 358.522 4.942 0 50 FJAA Cc1cc(-c2ccc(C(=O)N3CCO[C@H](C4CC4)C3)cc2)c(Cl)cc1F 584885190 OUAJPARZSPEBRY-FQEVSTJZSA-N 373.855 4.706 0 50 FJAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC[C@H](CO)C1 584904370 OLXQWWFDLYRBEL-KRWDZBQOSA-N 365.473 4.621 0 50 FJAA Cc1cc(C)nc(SCC(=O)c2c(-c3ccccc3)cc3ccccn23)n1 1109162 TYQYFIVZFZUSCZ-UHFFFAOYSA-N 373.481 4.988 0 50 FJAA COc1ccc(C)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 1116014 UPMJMNAJDDPORI-UHFFFAOYSA-N 374.651 4.981 0 50 FJAA CCCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 1204017 PTEIURYVHALYFM-UHFFFAOYSA-N 359.223 4.996 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 1204055 HRIGPPMLOQWKKZ-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA CC(C)OC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 1911849 KFMIIZJWYONQMK-GFCCVEGCSA-N 358.488 4.791 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Br)cc1 2736499 HXYWLQFOHSQZIS-UHFFFAOYSA-N 357.207 4.665 0 50 FJAA CCOc1cccc2cc(C(=O)Nc3ccccc3C(C)(C)C)c(=O)oc12 2743420 YBSJTMWDSCVHKU-UHFFFAOYSA-N 365.429 4.742 0 50 FJAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1 4854150 CYHQCUBKDGXDQN-AZUAARDMSA-N 356.853 4.874 0 50 FJAA CC(C)CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 5103045 LUAWSVFQFOSXPD-UHFFFAOYSA-N 364.533 4.527 0 50 FJAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(CC2CC2)CC1 12836802 ZCYOYJOQBHTKNZ-UHFFFAOYSA-N 368.452 4.679 0 50 FJAA CC(=O)N[C@H]1C[C@@H](c2ccc(-c3ccccn3)cc2)O[C@@H](c2ccccc2)C1 65372855 QMGGENLEOMLAMV-JRFVFWCSSA-N 372.468 4.846 0 50 FJAA CC(C)Oc1c(Cl)cc(CN2CCC[C@@H](N(C)C)CC2)cc1Cl 72155926 YPETYECMKOFYJK-OAHLLOKOSA-N 359.341 4.697 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 101710523 GNIXJMMCZSNWBX-PCBIJLKTSA-N 358.869 4.858 0 50 FJAA O=C(Nc1ccnn1-c1ccccc1)N1CCCCC[C@H]1c1ccco1 299756869 JOOJFOWYFBVKRS-KRWDZBQOSA-N 350.422 4.615 0 50 FJAA FC(F)(F)C12C[C@H]3C[C@@H](CC(c4nc(Cc5cncs5)no4)(C3)C1)C2 330150953 LFBCVOIXYXQZIS-YXEONTRPSA-N 369.412 4.517 0 50 FJAA Cc1nc2ccc(C(=O)Nc3ccccc3CN3CCCCC3)cc2s1 825313613 SEZXVUXUGZHXSX-UHFFFAOYSA-N 365.502 4.843 0 50 FJAA Cc1nc2cc(C(=O)N(C)CCCOc3ccc(Cl)cc3)ccc2s1 952976979 ZCBPLVSGUSGVMD-UHFFFAOYSA-N 374.893 4.799 0 50 FJAA COc1ccc(C(=O)[C@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 2332237282 QEMWCZNAYAALDL-INIZCTEOSA-N 360.409 4.576 0 50 FJAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccccc3OCc3ccccc3)C[C@H]21 2356159297 URNCNYBSBXFMME-FJIJXJHWSA-N 365.517 4.639 0 50 FJAA Cc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1Cl 707582 QUQRJNJZSSYBIW-UHFFFAOYSA-N 363.895 4.571 0 50 FJAA Cc1nc2c(Cl)cccc2c2c1C[C@H]([C@](C)(Cl)Br)O2 759539 MULZKSKWAMYURR-RISCZKNCSA-N 361.066 4.850 0 50 FJAA Clc1ccccc1-c1noc(COc2ccc(Br)cc2)n1 986840 DKDQHYTYQFYAKZ-UHFFFAOYSA-N 365.614 4.732 0 50 FJAA COc1cc(SC)ccc1C(=O)Nc1ccc(C)c(Br)c1 1125478 SBBHVJMWFBHUFF-UHFFFAOYSA-N 366.280 4.740 0 50 FJAA Cc1cccc(CSc2nnc(NC(=O)c3cccc(C)c3)s2)c1 1142993 YKUYXZSEVBBWBU-UHFFFAOYSA-N 355.488 4.700 0 50 FJAA Cc1cc(Br)c(NC(=O)COc2ccc(Cl)cc2)cc1C 1163238 JMSKCGNAVPRXEB-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(F)cc1 1977906 ZUJUWWCMZNPNQU-UHFFFAOYSA-N 360.340 4.818 0 50 FJAA COc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 2818150 MEQTYFZFIQAMOS-UHFFFAOYSA-N 370.301 4.665 0 50 FJAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 4675134 ULWYYDLHYQGPFR-UHFFFAOYSA-N 364.470 4.755 0 50 FJAA O=C(Nc1ccc(F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 19812519 AIXIVPHVXRTSCK-UHFFFAOYSA-N 360.432 4.636 0 50 FJAA C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1 44934144 JJFXLXMOQRMJPS-OAHLLOKOSA-N 374.887 4.569 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c(C)c2c1 91906654 FWHLSUZRIRMZEY-IBGZPJMESA-N 372.472 4.947 0 50 FJAA CCc1nc2cc(NC(=O)N3CCC(c4ccsc4)CC3)ccc2o1 187150112 YYLQFJYQQSCWKW-UHFFFAOYSA-N 355.463 4.863 0 50 FJAA O=C(Nc1cc2c(cc1Br)CCC2)c1cc2ccccc2[nH]1 253430987 MZVYESIQYBFHDZ-UHFFFAOYSA-N 355.235 4.671 0 50 FJAA CN(CCC[C@H]1CCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1 299755155 CRJBXQBJYRZZLV-NRFANRHFSA-N 352.478 4.700 0 50 FJAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cnc3ccccc3c2)c1 299767887 XMOGBLDDTMMOOX-QFIPXVFZSA-N 374.484 4.933 0 50 FJAA COc1nc2ccccc2cc1CNc1ccc2c(c1)nc(C1CC1)n2C 1875304092 ZTMRWAJRUKHVCI-UHFFFAOYSA-N 358.445 4.620 0 50 FJAA C[C@@H](C(=O)NCc1ccc2ccoc2c1)c1ccc(Br)cc1 2325717138 DEGIHGBFUSEICZ-GFCCVEGCSA-N 358.235 4.615 0 50 FJAA O=S(=O)(c1ccc(Cl)cc1)n1c(C2CCCCC2)nc2ccccc21 762962 RRECQKKYBHUEDJ-UHFFFAOYSA-N 374.893 4.974 0 50 FJAA CSc1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 829533 DXEDEWZXBRJFPC-UHFFFAOYSA-N 374.469 4.679 0 50 FJAA Cc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)n1 989828 PFXZNPVBRNFSIS-UHFFFAOYSA-N 357.207 4.665 0 50 FJAA COc1ccc(/C=C(/C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 1154996 MLKANJORRTYQNQ-PXLXIMEGSA-N 359.425 4.883 0 50 FJAA Sc1nnc([C@H]2CCCN2Cc2ccccc2)n1-c1ccc(Cl)cc1 1424392 NUBGPENOHGDBHU-QGZVFWFLSA-N 370.909 4.547 0 50 FJAA CCc1cc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cs1 2784856 KGVVSWTWLOQJET-UHFFFAOYSA-N 374.487 4.704 0 50 FJAA O=Cc1cccc(OCCCOc2ccc(OCc3ccccc3)cc2)c1 12336624 URDLVSIMGBFMAE-UHFFFAOYSA-N 362.425 4.926 0 50 FJAA Cc1ccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 12715865 JZCNMBCKWYHGRH-LJQANCHMSA-N 353.441 4.716 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NC1CCCC1 17076681 HJWRNMJSPSPRPN-UHFFFAOYSA-N 374.531 4.821 0 50 FJAA CCCCc1nc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)no1 225570744 PSNHLMBZLHYNMO-GOSISDBHSA-N 365.481 4.530 0 50 FJAA CCNC(=O)c1ccc(NCc2ccc(OC(F)F)c(Cl)c2)c(C)c1 408516294 RXNDGUAYRDHZPM-UHFFFAOYSA-N 368.811 4.612 0 50 FJAA c1ccc2c(c1)sc1ccc(-c3ccc(CN4CCOCC4)cn3)cc12 952973881 AYOUITSJTFHTAF-UHFFFAOYSA-N 360.482 4.949 0 50 FJAA Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12 1775964652 WOAOENGFAAUUGT-UHFFFAOYSA-N 360.436 4.517 0 50 FJAA Cc1ccc(Cl)c(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)c1F 1857741431 SGIDZNZSINSHOU-AWEZNQCLSA-N 364.848 4.552 0 50 FJAA C[C@H]1CCCN(CCCCOc2ccc(Cl)cc2Br)C1 2824105 DMPWBCHLMBBPJZ-ZDUSSCGKSA-N 360.723 4.993 0 50 FJAA CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)O 3871370 XTURYZYJYQRJDO-BNAHBJSTSA-N 367.555 4.728 0 50 FJAA in-vivo CCOc1ccc(Br)cc1-c1noc(-c2cccs2)n1 4195569 GCPHCFPPIMCYCR-UHFFFAOYSA-N 351.225 4.626 0 50 FJAA Oc1ccc(Cl)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 5739406 QOFFCTHEVIXSEA-PXNSSMCTSA-N 366.804 4.881 0 50 FJAA Cc1cccc(C)c1OCc1cc(C(=O)N(C)CCCC2CCCC2)no1 12004480 PSIYBMUVFMNQKB-UHFFFAOYSA-N 370.493 4.913 0 50 FJAA COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)cc1 245310086 HMOJGKUPOBIJBW-VXNXHJTFSA-N 365.517 4.872 0 50 FJAA Cc1occc1-c1nnc(S[C@H]2C[C@H](C)O[C@H](C)C2)n1-c1ccccc1 252477116 ILCOYLYICBDPKA-XOIINTDNSA-N 369.490 4.884 0 50 FJAA COc1cccc(-c2ccc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2)n1 426423721 QORWTXQJMRVTBI-OAQYLSRUSA-N 373.456 4.520 0 50 FJAA O=C(c1ccc(-c2ccc(-c3cnco3)s2)cc1)N1CCC(F)(F)CC1 584884490 WYWUBVGIUXSPSU-UHFFFAOYSA-N 374.412 4.941 0 50 FJAA Cc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)c2cc(C(F)(F)F)ccc2n1 1704313991 VNRLHNLMAOXWTJ-RTBURBONSA-N 364.411 4.693 0 50 FJAA Cc1[nH]nc2ccc(C(=O)N[C@@H](C)c3ccc(Oc4cccnc4)cc3)cc12 1875341828 JUYICUVHXKRMNQ-AWEZNQCLSA-N 372.428 4.550 0 50 FJAA Cc1cc(C)cc(OCCCN2CCCC[C@@H]2Cc2ccc(O)cc2)c1 1875344130 FHRXZLRHGQUUBM-OAQYLSRUSA-N 353.506 4.875 0 50 FJAA CCc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 3400174 MZQIYFSXGHLSIX-UHFFFAOYSA-N 350.418 4.685 0 50 FJAA CCOc1ccccc1Nc1nc(-c2ccc(OC)c(OC)c2)cs1 4123323 RXJXEVKNSVYHAS-UHFFFAOYSA-N 356.447 4.970 0 50 FJAA COc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc(OC)c1OC 4433567 XFARXZNJCAOJNL-UHFFFAOYSA-N 368.433 4.727 0 50 FJAA CCOC(=O)C1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 4978536 PFPFIYWCQOWIPJ-UHFFFAOYSA-N 373.880 4.907 0 50 FJAA CCOC(=O)NC(=S)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5325822 WZJYJWRSJFATLF-UHFFFAOYSA-N 367.511 4.535 0 50 FJAA Cc1ccc(C(=O)N[C@H](Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 5798804 REELBROHIWZMOI-INIZCTEOSA-N 371.695 4.842 0 50 FJAA CC(C)N(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 6214445 WKSVTVGECZVDTR-UHFFFAOYSA-N 359.882 4.750 0 50 FJAA CC[C@@H](C)CC(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 12098108 XYLJGSLLQWCJGJ-QAPCUYQASA-N 369.484 4.733 0 50 FJAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)Cc1nccs1 12439847 CZUZRTGEAGGYFB-UHFFFAOYSA-N 367.396 4.757 0 50 FJAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc5ccccc45)cn1c23 33088848 JAPLAYPJBKGGJQ-CQSZACIVSA-N 354.409 4.524 0 50 FJAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 35561791 BDPCPQACHSGHOP-SFHVURJKSA-N 352.434 4.873 0 50 FJAA c1ccc(CN(Cc2ccc3c(c2)OCCCO3)Cc2nccs2)cc1 55107927 LYUPEIIYYDHJKW-UHFFFAOYSA-N 366.486 4.507 0 50 FJAA Cc1c(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cnn1C 71755014 PSKJJZKRTPTRKB-INIZCTEOSA-N 365.443 4.592 0 50 FJAA CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(Cl)cc(Cl)n1)CCC2 182041515 OYNIKPRAVAPUEI-LBPRGKRZSA-N 370.305 4.557 0 50 FJAA C[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccccc1 239432842 WPGSJVUKSMYCJB-CKCHCSOFSA-N 357.497 5.232 0 50 FJAA 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 253491380 MIPBKEDUAJVNOP-OPLUNORUSA-N 358.522 4.800 0 50 FJAA CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2Cl)C1 464770426 KHGHHFMBWFEACC-STQMWFEESA-N 361.338 4.538 0 50 FJAA COc1cc(SC)ccc1C(=O)NC(c1ccccc1)c1ccccc1 862277 OWTCBSMYWSUYLT-UHFFFAOYSA-N 363.482 4.937 0 50 FJAA CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)Nc1ccccc1-2 2057031 NJFCBLPGCBBNPE-SFHVURJKSA-N 364.474 4.934 0 50 FJAA CCCSc1nnc2c(n1)O[C@]1(CCC[C@@H](C)C1)Nc1ccccc1-2 2862673 LRFBDTDMGAHIHR-YJYMSZOUSA-N 356.495 4.751 0 50 FJAA COc1cc2c(cc1NC(=O)COc1ccc(C)cc1)oc1ccccc12 4359032 QLOLHUTWPHWQFI-UHFFFAOYSA-N 361.397 4.921 0 50 FJAA CCn1cc(-c2nnc(SCc3ccc(F)cc3)n2C)c2ccccc21 4759616 KRQMBOBVHLQYGI-UHFFFAOYSA-N 366.465 4.888 0 50 FJAA O=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1 5682980 BVQQWGYSPFFTBU-UHFFFAOYSA-N 359.473 4.626 0 50 FJAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](Nc2ccccc2)C1 11667845 GBCKUNIUYMZUAG-OAHLLOKOSA-N 369.515 4.588 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cccc3cccnc23)C1 12437715 HBJGKNBCHGRSOA-LJQANCHMSA-N 364.876 4.983 0 50 FJAA CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13325813 CNVWQKKDTLNPCK-UHFFFAOYSA-N 366.261 4.835 0 50 FJAA CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 16361796 WVMVYUWKZYGWGR-HZPDHXFCSA-N 365.452 4.742 0 50 FJAA CC(C)c1csc(CNCc2cccnc2Oc2ccccc2F)n1 19741944 URFNGAITHOBJBF-UHFFFAOYSA-N 357.454 4.883 0 50 FJAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 36621051 OIFXGHZDLCZMMZ-IBGZPJMESA-N 350.393 4.766 0 50 FJAA O=C(c1nccc2ccccc12)N1CCC[C@@H](c2cc(F)ccc2F)C1 191201818 CHBDQHKMMSFINE-OAHLLOKOSA-N 352.384 4.533 0 50 FJAA Cc1nc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C(C)C)s1 223220016 CZDLRURTKMRENO-OAHLLOKOSA-N 356.495 4.578 0 50 FJAA Cc1noc(C)c1-c1ccc(OC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 239366871 AGMCRXBUHDNWJT-AEFFLSMTSA-N 369.367 4.946 0 50 FJAA Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)cc2)o1 952978812 LRFAGLDFXKKDEZ-IBGZPJMESA-N 374.484 4.854 0 50 FJAA Nc1ncc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl 2325702287 GXUYUWHSNREHJT-CQSZACIVSA-N 370.667 4.601 0 50 FJAA Cc1ccc([C@]23C[C@H]2CN(C(=O)Nc2ccccc2[C@@H]2CC2(F)F)C3)cc1 2325782115 ZIXFNHQWPQMQJM-DJPFJPOOSA-N 368.427 4.923 0 50 FJAA CCOc1ccc(OCC)c(NC(=O)Nc2cc(Cl)ccc2OC)c1 641431 IGHRTWAUHCAWFG-UHFFFAOYSA-N 364.829 4.790 0 50 FJAA O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc2ccccc2o1 754042 UWBISEIDXPLEQR-UHFFFAOYSA-N 355.353 4.888 0 50 FJAA CN(C)C(=O)c1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 1215600 WWLWUYAOYRGIMG-UHFFFAOYSA-N 368.440 4.742 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Br)cc1 1775883 IMUPMMOXRZTTTD-UHFFFAOYSA-N 368.658 4.900 0 50 FJAA Cc1cc(OCCSc2nc(O)cc(-c3ccccc3)n2)ccc1Cl 2846039 TVJFWFMKRZRUML-UHFFFAOYSA-N 372.877 4.982 0 50 FJAA FC(F)(F)c1c2c(nc3snc(Br)c13)CCCCC2 4727345 BKUYSBQWZSRDEI-UHFFFAOYSA-N 351.191 4.742 0 50 FJAA C[C@@H](c1ccccc1)n1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 6700701 ZXXPORNJBYGGIC-FUHWJXTLSA-N 361.489 4.760 0 50 FJAA Cc1ccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)o1 11938022 LZCFONFWEFTIFL-UHFFFAOYSA-N 367.537 4.640 0 50 FJAA COc1ccc(-c2noc(CN3CCCC[C@H]3c3ccc(F)cc3)n2)cc1 12091551 QNYPUDDEEZKIEV-IBGZPJMESA-N 367.424 4.612 0 50 FJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 44934952 FKEUHHVJLNAPRA-SFHVURJKSA-N 368.496 4.532 0 50 FJAA FC(F)(F)c1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1 55543826 VGRFZFTYCMNQSE-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA COc1ccc(OC)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 943420 JREFQFDBHPVKBI-HMMYKYKNSA-N 359.425 4.883 0 50 FJAA COc1ccc(CNCC[C@@H](c2ccco2)c2ccccc2OC)cc1 2106832 UNWNWIIYCPDJPJ-HXUWFJFHSA-N 351.446 4.609 0 50 FJAA biogenic CCOC(=O)c1c(C)n(CCSc2ccccc2)c2ccc(O)cc12 2874699 XGSYCGSIGKZULL-UHFFFAOYSA-N 355.459 4.624 0 50 FJAA O=C(OCCCC(F)(F)C(F)(F)F)c1cccc(Br)c1 2885621 ZWNQHQNVBJOBTD-UHFFFAOYSA-N 361.104 4.584 0 50 FJAA CCOc1ccccc1C(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 4247960 MLZNUMZFSMIUAG-UHFFFAOYSA-N 371.440 4.961 0 50 FJAA COc1ccc(Cl)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 4914020 MXLKVIKOONWMKU-JXMROGBWSA-N 353.805 4.993 0 50 FJAA Cc1ccc(C)c(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 8590988 IUIYGWKIAWFDLN-UHFFFAOYSA-N 357.417 4.657 0 50 FJAA Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)c3ccccc3)n12 8614972 PREOQSKJXOWQKX-UHFFFAOYSA-N 361.470 4.783 0 50 FJAA CCCn1c(=O)c(C(=O)O)c(Nc2ccc(Cl)cc2)c2ccccc21 169565008 FLMJXVCRHCENFO-UHFFFAOYSA-N 356.809 4.507 0 50 FJAA Cc1nc2ccc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)cc2o1 215244272 ADCCMXDJQDEADN-UHFFFAOYSA-N 358.800 4.734 0 50 FJAA Cc1cc(NC(=O)[C@@H](C)CCOc2ccccc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 1357830794 DBZSLIWLPCISTI-CAIZAGQASA-N 367.493 4.596 0 50 FJAA O=C(c1cccc2nc(-c3ccccc3)[nH]c12)N1CC=C(C(F)(F)F)CC1 1875329541 BQSMFGUFJPKPEZ-UHFFFAOYSA-N 371.362 4.565 0 50 FJAA COc1ccc2c(N[C@@H](C)c3ccc4nc(C5CC5)[nH]c4c3)ncnc2c1 2325878416 OLLIPMLNLDBMHH-LBPRGKRZSA-N 359.433 4.565 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1Cl 645827 DOIFRJHNFYWDDU-UHFFFAOYSA-N 365.820 4.548 0 50 FJAA O=C(Nc1c(Cl)cccc1Cl)C1(c2ccccc2)CCOCC1 985728 OMCHKKDOLQAEEE-UHFFFAOYSA-N 350.245 4.680 0 50 FJAA Cc1c(CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)cnn1C 1113718 MCHHIVPKCIXZTA-UHFFFAOYSA-N 368.289 4.522 0 50 FJAA COc1cc(C=O)cc(Cl)c1OCc1ccc(Br)cc1 1174250 QXPSFUCSQHKTED-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 2304767 OHJPMBAGYMCFGX-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1 9231002 XFDDFKHOAWFCKV-UHFFFAOYSA-N 356.853 4.655 0 50 FJAA Cc1ccccc1[C@H](CC(=O)N(C)Cc1nccs1)c1ccccc1 12225338 MTLFEZRKJQCOLW-LJQANCHMSA-N 350.487 4.632 0 50 FJAA CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)cc1 44935795 QTLBTQNDHRDJAT-JOCHJYFZSA-N 368.496 4.614 0 50 FJAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(Cc1cccc(O)c1)C1CC1 91254292 JWXMTORORBROQP-UHFFFAOYSA-N 362.473 4.532 0 50 FJAA Cc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)c1 169754578 SGGPIWFBNLRNID-KRWDZBQOSA-N 367.836 4.676 0 50 FJAA Cc1cc(-c2ncccc2NC(=O)c2oc3c(c2C)C(=O)CCC3)cs1 186887377 GQTBCXJQTQXUHY-UHFFFAOYSA-N 366.442 4.791 0 50 FJAA CCN(Cc1nc(O)c2c(C)c(C)sc2n1)c1ccc2[nH]ccc2c1 253536197 HTNXCENGNLJVLG-UHFFFAOYSA-N 352.463 4.522 0 50 FJAA c1ccc(OC[C@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@H]4[C@H]6[C@@H]5[C@@H]5CC[C@@H]7[C@@H]5[C@H]6[C@@H]([C@H]27)[C@@H]43)cc1 257355694 CAULSJQBACQMOW-IXSAFBHXSA-N 358.525 4.978 0 50 FJAA O=C1[C@@H]2[C@H]3C4=C([C@H]5CC[C@H]4C5)[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccccc1 257355879 DEUZBUZVORBQQL-CEDLLJHPSA-N 371.480 4.649 0 50 FJAA O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)N1CCC[C@H]1c1ccncc1 333134082 XILJGONXJNSAIB-MBGYTDRXSA-N 368.506 4.811 0 50 FJAA COc1ccc(Cl)cc1CN(C)C(=O)C1CCC(C(F)(F)F)CC1 435626268 KETWYSUPPFFGMJ-UHFFFAOYSA-N 363.807 4.676 0 50 FJAA Cc1cc(N2CCC[C@@]3(CCC[C@H]3O)C2)c2ccc(C(F)(F)F)cc2n1 1704330081 WKPRNMIHHOFBBM-MOPGFXCFSA-N 364.411 4.693 0 50 FJAA Cc1ccccc1OC(=O)COc1ccc2ccccc2c1Br 673849 MUHSBYACSUDMMN-UHFFFAOYSA-N 371.230 4.895 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1Cl 678998 ORUXWRCQSQJWTF-UHFFFAOYSA-N 354.862 4.928 0 50 FJAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 953504 MNJXVJBTBJYRML-UHFFFAOYSA-N 369.286 4.525 0 50 FJAA COc1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1778224 VJXWKGFWZNDLRF-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 4763745 SFOYTMOYMKUVQR-DTQAZKPQSA-N 368.436 4.873 0 50 FJAA COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccccc1 4998079 PPIHZXREZXRDGU-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA CCCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 5042326 HNNFAJJKZJLAHL-UHFFFAOYSA-N 374.481 4.548 0 50 FJAA Cc1ccc(C)c([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=N)c1 17073405 NCGVGFCPFWKDIH-CYBMUJFWSA-N 354.837 4.674 0 50 FJAA Cc1oc(-c2ccoc2)nc1CN1CCC[C@@H](COc2cccc(F)c2)C1 20255606 MMDCVINZEFJINO-MRXNPFEDSA-N 370.424 4.673 0 50 FJAA CCSc1ccccc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 47857854 YIQXTQPICFLRKI-KRWDZBQOSA-N 360.454 4.543 0 50 FJAA Cc1nc(CN(C)C(=O)c2ccc(NCc3sccc3C)cc2)cs1 55198854 COUQETRLPSCGJP-UHFFFAOYSA-N 371.531 4.706 0 50 FJAA C[C@H](O)Cn1cnc(-c2ccccc2)c1-c1nc(-c2ccccc2)cs1 65394565 NFAGEDGXZUTJAZ-HNNXBMFYSA-N 361.470 4.721 0 50 FJAA COc1ccc2cc([C@H]3CN(c4nccc5occc45)CCO3)ccc2c1 71730334 JKHVNRWGBXEWRZ-OAQYLSRUSA-N 360.413 4.568 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)nn1 72117644 RQGRCBNCGAAKGL-UHFFFAOYSA-N 352.369 4.669 0 50 FJAA O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72475850 MGKHMHQXNDADMR-LJQANCHMSA-N 362.408 4.551 0 50 FJAA CSc1ccc(CN(C(=O)Nc2cc(C(C)(C)C)nn2C)C2CC2)cc1 97529071 NOJDEQWPIZBTDL-UHFFFAOYSA-N 372.538 4.636 0 50 FJAA C[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccc2ccccc2c1 170600134 XDLBDVSCJOWDCD-HNNXBMFYSA-N 350.462 4.935 0 50 FJAA CNc1snc(C)c1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 170603357 CGQOQQZUJSKZBP-UHFFFAOYSA-N 372.321 4.508 0 50 FJAA CCOC1=N[C@@H]2Nc3cc4ccccc4cc3N(C)[C@H]2[C@H]1c1ccccc1 244873498 WRHKCHDZUOOKER-FSSWDIPSSA-N 357.457 4.629 0 50 FJAA Fc1c(OCc2ccccc2)ccc(Br)c1Br 261493494 CDTBZBSENTVRHP-UHFFFAOYSA-N 360.020 4.930 0 50 FJAA Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc3c4c(oc23)CCCC4)no1 299775838 KHLWIKXQGJIQNV-SFHVURJKSA-N 365.433 4.977 0 50 FJAA COc1ccc(-c2noc(N3CCc4cc(Cl)ccc4[C@H]3C)n2)cc1 1875341327 OYSBUPHKUIDRQU-GFCCVEGCSA-N 355.825 4.522 0 50 FJAA O=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccc(Br)cc1 732160 MGNIODWXULCASG-UHFFFAOYSA-N 361.626 4.768 0 50 FJAA COc1cc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)cc(OC)c1OC 877499 ZMYZJLSNBHDGFB-UHFFFAOYSA-N 368.433 4.727 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 1206010 MGDZEORAFYOVNR-CXUHLZMHSA-N 372.424 4.599 0 50 FJAA COc1ccc(C)cc1NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 2856068 UZFILZSGOJAONX-UHFFFAOYSA-N 356.756 4.902 0 50 FJAA Cc1ccc(SCCNC(=O)CSCc2ccccc2Cl)cc1 2994827 QMYSJSGGTJADTB-UHFFFAOYSA-N 365.951 4.790 0 50 FJAA Cc1occc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 4646548 VHFRATUQJGEDJO-LLVKDONJSA-N 361.463 4.592 0 50 FJAA Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)nc1 6401272 OWFHLZOZICYZPI-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA Cc1cc(C)cc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 7759908 NNBFFOQLRDJPDT-UHFFFAOYSA-N 363.461 4.794 0 50 FJAA Cc1ccnc(C[C@H](C)N(C)C(=O)C2c3ccccc3-c3ccccc32)c1 55326703 NQHSZJFILWZCCK-KRWDZBQOSA-N 356.469 4.592 0 50 FJAA COc1ccc2cc([C@@H]3CN(Cc4cc5ccccc5[nH]4)CCO3)ccc2c1 71761556 ZLHLROSXHHHFQA-DEOSSOPVSA-N 372.468 4.903 0 50 FJAA O=C(O)c1ccc([C@H]2CCN(c3ccc4cc(Cl)ccc4n3)C2)cc1 77377426 SLJMBCLBGLKMRS-INIZCTEOSA-N 352.821 4.580 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]ccc3c2)cc1 77408032 KJFVDYHKXDRTCX-QFIPXVFZSA-N 361.489 4.597 0 50 FJAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN(c2cccc(C(F)(F)F)c2)CC1 100419921 BJWOJNPXRMBTHI-QFBILLFUSA-N 364.455 4.820 0 50 FJAA CCOC[C@@H]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 175546018 DTBDPNLWVLOLEF-SNVBAGLBSA-N 358.290 4.707 0 50 FJAA CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c1 426518726 GLPDMGFMCADTOZ-UHFFFAOYSA-N 361.363 4.567 0 50 FJAA CCOc1ccc(NC(=O)N2CCc3occc3[C@@H]2c2ccccc2)cc1 1875288582 NJAXLDCKONKQMC-NRFANRHFSA-N 362.429 4.858 0 50 FJAA Cc1ccc([C@H](NC[C@H](CO)Cc2ccccc2C)c2cccc(C)n2)cc1 2325841664 CKACQGYMNFEGAB-BWKNWUBXSA-N 374.528 4.537 0 50 FJAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 822780 KPLPOQCAINMRDK-OAHLLOKOSA-N 358.397 4.901 0 50 FJAA O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cccs1 829420 GZJGSJQIPWKICO-UHFFFAOYSA-N 356.259 4.826 0 50 FJAA Cc1ccc(-c2csc3nnc(SCc4csc(C)n4)n23)cc1 937512 XAEKMDQABQCRAI-UHFFFAOYSA-N 358.517 4.823 0 50 FJAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 1023169 BBWQEQOMVUOFNW-UHFFFAOYSA-N 367.445 4.523 0 50 FJAA Fc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1 1110263 DMSRVMGEPBSKNM-UHFFFAOYSA-N 371.419 4.785 0 50 FJAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(N(C)C)cc2)c2ccccc2)cc1 1164192 POHFIESGKUHUAE-HSZRJFAPSA-N 373.452 4.842 0 50 FJAA CCc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 1168970 QHYWMLJUWLGVJH-UHFFFAOYSA-N 368.658 4.682 0 50 FJAA O=c1oc2ccccc2cc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 4551159 LSDGWNPBCLIURJ-UHFFFAOYSA-N 358.275 4.529 0 50 FJAA Fc1ccc(N[C@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)cc1 12431299 FIYVOBYGADRCGZ-KRWDZBQOSA-N 350.384 4.504 0 50 FJAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1C 13331261 MXYAOEBRSJINEL-UHFFFAOYSA-N 366.440 4.948 0 50 FJAA Cc1nc(NCc2ccoc2)sc1-c1ccn(Cc2ccccc2F)n1 14998731 XQWFWJOXJLZUAB-UHFFFAOYSA-N 368.437 4.708 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ccccc1F 21791318 CXIZSAUGZKPNRY-SFHVURJKSA-N 354.356 4.597 0 50 FJAA Cc1cc([C@H]2CCCCN2C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)no1 91486997 DYXDWJSCXNZOLZ-LJQANCHMSA-N 365.477 4.686 0 50 FJAA CCCSc1ccccc1NC(=O)N1CC(c2nc3ccccc3[nH]2)C1 96153212 DOGVUUPOXCZSOD-UHFFFAOYSA-N 366.490 4.696 0 50 FJAA Cc1cc([C@H]2CCCCN2C(=O)Nc2ccc(Cl)c3ncccc23)no1 97137440 JYQWLHHZUWVAEP-QGZVFWFLSA-N 370.840 4.944 0 50 FJAA CC1(C)Oc2ccc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)cc2O1 170620421 UVBYDDYOFDVVGI-HXUWFJFHSA-N 367.445 4.833 0 50 FJAA COc1cccc(-c2ncc(CN3CCCC[C@H]3c3cc(C)on3)s2)c1 215972833 CAKXRGMODPIQAI-IBGZPJMESA-N 369.490 4.842 0 50 FJAA Clc1cnc(OCc2ccccc2)c(OCCOCc2ccccc2)c1 216706752 GFPHXHOCPBAXMJ-UHFFFAOYSA-N 369.848 4.910 0 50 FJAA Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1ccc(Br)cc1 1462944013 KSWFTUQPHORCDO-UHFFFAOYSA-N 371.234 4.689 0 50 FJAA Cc1cc(N2CCC(OCc3ccccn3)CC2)nc2cc3c(cc12)CCC3 1704300937 BWTBGMDSAXRNMF-UHFFFAOYSA-N 373.500 4.613 0 50 FJAA Cc1cnccc1-c1ccc(C(=O)Nc2cnn(CC(C)C)c2C)s1 2325738709 SNACJTYHTOTOAV-UHFFFAOYSA-N 354.479 4.532 0 50 FJAA CCCC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 867333 QPBRJLNYRUYCSF-OXQOHEQNSA-N 351.446 4.818 0 50 FJAA CC(C)(C[C@@]1(C)OC(=O)N(CCc2ccccc2)[C@]1(C)O)c1ccccc1 1430569 YJHBCMPHAAFJDH-DHIUTWEWSA-N 367.489 4.516 0 50 FJAA O=C(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1 2872524 DDSCQMUOPLRYRJ-UHFFFAOYSA-N 364.308 4.606 0 50 FJAA CCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)Nc1ccccc1-2 2915625 RGTMRJPPUOGNLA-QGZVFWFLSA-N 368.462 4.835 0 50 FJAA CCC(CC)N1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 12315108 OOHVIDPWSSQUIZ-UHFFFAOYSA-N 374.916 4.614 0 50 FJAA COCc1nn2c(-c3ccccc3)cc(C)nc2c1-c1ccc(OC)cc1 12862202 HXIZIVLJHRCAOW-UHFFFAOYSA-N 359.429 4.527 0 50 FJAA Cc1oc(-c2ccoc2)nc1CN1CCC[C@H](COc2cccc(F)c2)C1 20255609 MMDCVINZEFJINO-INIZCTEOSA-N 370.424 4.673 0 50 FJAA CCN(CC1CCOCC1)C(=O)c1cc(-c2ccccc2Cl)oc1C 65428051 DAWMWAYIBPSNAO-UHFFFAOYSA-N 361.869 4.797 0 50 FJAA Cc1cc(CNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)ccn1 95526051 XJYNEONFMBSAOL-OAQYLSRUSA-N 364.876 4.882 0 50 FJAA C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccccc1 239432844 WPGSJVUKSMYCJB-ZKGHJEQKSA-N 357.497 5.232 0 50 FJAA OC1(c2ccccn2)CCN(Cc2cccc3c2sc2ccccc23)CC1 670473301 KWMVUCDWDNVOEK-UHFFFAOYSA-N 374.509 4.933 0 50 FJAA CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1OC(C)=O 625860 TVGLQJDNISRITO-UHFFFAOYSA-N 365.410 4.557 0 50 FJAA CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc1 861387 KBGCNKILBHPGEN-HXUWFJFHSA-N 370.493 4.533 0 50 FJAA CCN(CC)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 1132253 BQIQWVUOBFNYHF-UHFFFAOYSA-N 355.463 4.811 0 50 FJAA CCc1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 2738631 KJAFYOIQIXBVCY-MRXNPFEDSA-N 355.488 4.573 0 50 FJAA COc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 4170846 RBGIIFIUQNIHNF-LFIBNONCSA-N 354.409 4.565 0 50 FJAA COc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542133 XSRLZDDOAJZLNL-UHFFFAOYSA-N 360.624 4.673 0 50 FJAA CC[C@@H](C)NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5061682 CRSBMRJNJIXPFW-IUODEOHRSA-N 365.304 4.850 0 50 FJAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nc(-c2ccccc2)no1 12613156 LLWRWXDNAYRWEN-QFIPXVFZSA-N 372.472 4.973 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCCC[C@H]3C)c12 13641999 GQSFFHHQOKRSHW-BXUZGUMPSA-N 355.463 4.568 0 50 FJAA CCCCCCOc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19634945 SHGDXYQJQIQFQD-UHFFFAOYSA-N 366.549 4.964 0 50 FJAA CCOc1ccc2oc(C)c(C(=O)Nc3c(C)cnn3[C@@H](C)C3CC3)c2c1 55154669 FYXPROZEONSYSR-ZDUSSCGKSA-N 367.449 4.868 0 50 FJAA CCOc1cc(CNCc2ccc(Cl)nc2)c(Cl)cc1OC(C)C 55245097 ADDBFEGBBOFCAB-UHFFFAOYSA-N 369.292 4.864 0 50 FJAA Brc1ccc(-c2ccc(I)cc2)cc1 71791193 GWOAJJWBCSUGHH-UHFFFAOYSA-N 359.004 4.721 0 50 FJAA in-vitro Cc1ccc2c(NC(=O)N(C)Cc3c(C)nn(C(C)C)c3C)cccc2n1 299758453 LFLSOGNLBQWCCI-UHFFFAOYSA-N 365.481 4.601 0 50 FJAA Cn1ccnc1-c1cccc(NC(=O)c2ccnc(SC(C)(C)C)c2)c1 778627266 MJNHADABOZJZPR-UHFFFAOYSA-N 366.490 4.625 0 50 FJAA Cc1cccc(OCC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1 1848442529 WSQOGKYAABNAJC-UHFFFAOYSA-N 366.364 4.641 0 50 FJAA C[C@@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(C(F)F)on1 1875285032 APLHQGSHDHVYDZ-GFCCVEGCSA-N 358.392 4.985 0 50 FJAA CC1(C)C[C@H](CC(=O)Nc2ccc3nc(-c4ccccc4)cn3c2)CCO1 1875319952 ZUSGXXQUDDJJNV-INIZCTEOSA-N 363.461 4.535 0 50 FJAA CC(C)c1ccc(NC(=O)COCc2ccc(C(F)(F)F)cc2)cc1 1875334035 VUECHGKSVHRABM-UHFFFAOYSA-N 351.368 4.984 0 50 FJAA Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(Cl)c(Cl)c1 998431 WTKMTKQLKNCYGP-UHFFFAOYSA-N 358.652 4.650 0 50 FJAA COc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 1062327 MUTNSIUFENKCOC-UHFFFAOYSA-N 374.396 4.521 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 1167110 QZGHPXDUQMFSDD-UHFFFAOYSA-N 358.869 4.656 0 50 FJAA COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Cl 1205037 CSFMNLLPXYAVFH-UHFFFAOYSA-N 354.233 4.636 0 50 FJAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC)c(OC)c1 2858821 NNPQXSCJRDUHDM-UHFFFAOYSA-N 358.438 4.654 0 50 FJAA Cc1cc(OCC(=O)Nc2ccccc2N2CCC(C)CC2)ccc1Cl 4998954 QLLQGHJVFFNIBQ-UHFFFAOYSA-N 372.896 4.902 0 50 FJAA CC(C)(C)c1ccc([C@H]2[C@@H](C(=O)O)CCC(=O)N2Cc2ccccc2)cc1 12336765 CRPGJWHGKJNBKZ-FPOVZHCZSA-N 365.473 4.549 0 50 FJAA CC(=O)N[C@H]1C[C@@H](c2cnc3ccccc3c2)O[C@@H](C2CCCCC2)C1 65410205 CYXYPMJOXNZFTN-FCEUIQTBSA-N 352.478 4.540 0 50 FJAA O=C(NC1(c2cccc(Cl)c2)CC1)c1csc(Cc2ccccc2)n1 82099341 GNXLRIDOZNXNMF-UHFFFAOYSA-N 368.889 4.806 0 50 FJAA CCn1ccnc1C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 91621498 CCUNBZFZAHWMEJ-UHFFFAOYSA-N 359.473 4.590 0 50 FJAA CCCc1nc(C(=O)N(Cc2ccccn2)Cc2ccc(C)s2)cs1 91858703 MKQSQTCNCLIONQ-UHFFFAOYSA-N 371.531 4.703 0 50 FJAA C[C@@H](NC(=O)NCc1cccc2cccnc12)c1cccc2ccccc12 170598413 HSMLOCOLCVDDTM-MRXNPFEDSA-N 355.441 4.948 0 50 FJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]12C)[C@]1(C)CCCC[C@@H]1CC31OCCO1 257348010 ANVUQRJIXAVQDA-RPJGENGRSA-N 360.538 4.977 0 50 FJAA O=C(Nc1nncs1)c1cc(C(F)(F)F)ccc1SC1CCCC1 1875259047 XLRKWYIWZYJUGE-UHFFFAOYSA-N 373.425 4.844 0 50 FJAA CC(C)n1nc(CCc2ccccc2)nc1-c1cccc([C@@H]2CCOC2)c1 1875348232 JYVHWQKSLZVSJB-OAQYLSRUSA-N 361.489 4.815 0 50 FJAA N=c1nc2c(c[nH]1)CCCCc1[nH]c3ccc(-c4ccc(F)cc4)cc3c1-2 1875376389 VIBOAVBWIZVICB-UHFFFAOYSA-N 358.420 4.722 0 50 FJAA O[C@H](COc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21 633590 IHTNCHFQXFIPGF-SFHVURJKSA-N 368.436 4.783 0 50 FJAA Cc1c(OCC(=O)C(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 634061 QNYSGBIAUMGVQL-UHFFFAOYSA-N 350.414 4.762 0 50 FJAA O=C(/C=C/c1ccc(Br)cc1)Nc1nc2ccccc2s1 1115086 DOZWVMFZNPZPCK-JXMROGBWSA-N 359.248 4.711 0 50 FJAA C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1)c1ccccc1 1145135 RBPGDMDLLLJFEV-HNNXBMFYSA-N 362.404 4.569 0 50 FJAA CCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 1207689 UMIHJGMRDUFYJN-UHFFFAOYSA-N 360.413 4.590 0 50 FJAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 2499340 YUUVQAZFNOKKJS-OAHLLOKOSA-N 353.462 4.710 0 50 FJAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2cccs2)s1 2789402 IXYSRAIAWFGLTC-CQSZACIVSA-N 373.503 4.680 0 50 FJAA COc1cccc(OCCCOc2ccc(Br)cc2Cl)c1 2985492 NYKXJBQZAGRRAU-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA Oc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)nn1-c1ccccc1 5059476 GCESTEIGCCWYLL-NTCAYCPXSA-N 357.388 4.949 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](OCc2ccccc2)C1 11814227 PFUZYBKDIXMVPN-GOSISDBHSA-N 368.502 4.893 0 50 FJAA COc1ccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)c(F)c1 12385309 JVMFENCRTHMGMX-INIZCTEOSA-N 373.493 4.651 0 50 FJAA COc1ccccc1NC(=O)Nc1cnn(Cc2cccc3ccccc23)c1 17076240 YKGRYTDXHKXOBQ-UHFFFAOYSA-N 372.428 4.737 0 50 FJAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)no1 21718944 BFPLHCXVTNBRIY-KRWDZBQOSA-N 369.396 4.569 0 50 FJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCCc1ccccc1O 67867068 NODPNKNONCDKPQ-UHFFFAOYSA-N 358.445 4.587 0 50 FJAA Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 247993058 NWCBYUQVZYGLIH-NLJKLAEJSA-N 366.505 4.744 0 50 FJAA CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 263588909 ZTPHNJFWVFYKDE-DBVUQKKJSA-N 366.509 4.855 0 50 FJAA CC(C)(C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccn1 328590166 ZEDQZGQSCAURCQ-UHFFFAOYSA-N 356.429 4.541 0 50 FJAA Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)nn1C1CCCCC1 329237074 OTZFVUJKQLTZTI-OAQYLSRUSA-N 366.509 4.849 0 50 FJAA CC(=O)N1C[C@@H](CCc2nc(-c3ccc(Cl)s3)no2)c2ccccc21 952845636 JNOXWVRYCFHKNO-GFCCVEGCSA-N 373.865 4.534 0 50 FJAA COc1ccccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 869316 BDTSPGQZCILMJH-UHFFFAOYSA-N 360.772 4.703 0 50 FJAA COc1ccc(C(=O)Nc2cccc3ccccc23)cc1Br 1193609 DEXXKWVKCAQMJP-UHFFFAOYSA-N 356.219 4.863 0 50 FJAA Cc1ccccc1CSCCNC(=O)c1ccc(Cl)cc1Cl 2812637 IFAOTEBRXHHQSM-UHFFFAOYSA-N 354.302 4.965 0 50 FJAA O=C(Nc1ccccc1F)c1ccc(-c2cc3ccccc3oc2=O)cc1 2861683 LOMHUSMWLWYROI-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA CCCCSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 3000093 SMAWHTJZSCWTEG-UHFFFAOYSA-N 362.307 4.989 0 50 FJAA COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1 35561782 IFIHFJDICRRBRY-OAQYLSRUSA-N 352.478 4.831 0 50 FJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCC(F)(F)F)CCO2 67868535 BAMRWLAHZGTAFF-UHFFFAOYSA-N 351.368 4.514 0 50 FJAA COc1ccccc1-c1ccc(CNc2ccc(C(=O)N(C)C)c(C)c2)cc1 194909748 ZDBJIRAAOSZYFV-UHFFFAOYSA-N 374.484 4.985 0 50 FJAA COC(=O)Cc1ccccc1NC(=O)c1ccc(-c2ccccc2F)s1 225440704 BEKZZDBQXHRQRY-UHFFFAOYSA-N 369.417 4.522 0 50 FJAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc(-c3cnccn3)cc2)c1 426535252 UNCKWBSHWLQKGP-JOCHJYFZSA-N 373.456 4.520 0 50 FJAA O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CCOCC12CCC2 480787343 BSAQKIXZNQUWMA-UHFFFAOYSA-N 357.837 4.527 0 50 FJAA COc1ccc(N(C)C(=O)Nc2cc(OC)c3ccccc3c2)cc1OC 1467350270 NHQXXLLAUZFTGM-UHFFFAOYSA-N 366.417 4.534 0 50 FJAA Cc1nccn1-c1ccc(F)cc1CN[C@@H](C)c1cnc2ccsc2c1 2325742626 VIUAAIHNOFZQMA-ZDUSSCGKSA-N 366.465 4.780 0 50 FJAA Cc1cccc(OCC(=O)Nc2ccc(Br)cc2Cl)c1C 685847 OBTBCVWRMGDMKQ-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCCCc1ccc(N2C(=O)c3cccc4c(C(=O)O)ccc(c34)C2=O)cc1 5713669 XZJIHODVWVXFEH-UHFFFAOYSA-N 373.408 4.681 0 50 FJAA Cc1cc(C(=O)Nc2ccc(C(=O)Nc3cccc4cccnc34)cc2)co1 20236227 GMPFATBTLIHDCB-UHFFFAOYSA-N 371.396 4.641 0 50 FJAA Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)c2cc(Cl)ccc2n1 77407067 STCIXZXTGHQBPZ-IBGZPJMESA-N 351.837 4.569 0 50 FJAA O=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1scnc1C1CC1 252500496 SWUKKTIWLZBIDR-LLVKDONJSA-N 369.273 4.581 0 50 FJAA CC(C)(C)c1ncc(/C=C/c2nc(C(=O)O)c(Br)s2)s1 253426393 UDUIVQPCUQLFAX-SNAWJCMRSA-N 373.297 4.528 0 50 FJAA CCCCOc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1C 1875302238 GNGCQZSBKJFOPK-UHFFFAOYSA-N 368.882 4.903 0 50 FJAA CCCc1nc(C(=O)O[C@@H](C)c2cc(F)cc(Br)c2)cs1 2325874144 CCFAWJYUZVTUKV-VIFPVBQESA-N 372.259 4.915 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cc2ccccc2o1 678016 FWCJQKREAWTSDZ-UHFFFAOYSA-N 362.410 4.999 0 50 FJAA O[C@H](CN1CCCc2ccccc21)Cn1c2ccccc2c2ccccc21 786505 YRQJNCXNGXQKDY-LJQANCHMSA-N 356.469 4.608 0 50 FJAA Cc1ccc(C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C)cc1 840882 HUWHMIJHFUTKCV-IUODEOHRSA-N 362.256 4.670 0 50 FJAA COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 989957 LDRPTZOUATUVKL-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA CCOC(=O)Nc1cccc(NC(=O)c2ccc3c4c(cccc24)CC3)c1 1108253 SECGNFVPNFHQHB-UHFFFAOYSA-N 360.413 4.759 0 50 FJAA C[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1ccccc1O 1175212 CFWPSADUAIPBNB-XMSQKQJNSA-N 359.469 4.662 0 50 FJAA O=c1sc2c(Cl)nc(C(Cl)(Cl)Cl)c(Cl)c2s1 1444421 IEMNSTLVMXPJQB-UHFFFAOYSA-N 355.482 4.852 0 50 FJAA Cc1ccc(NC(=O)OCCN(C)C(=O)Nc2ccc(C)cc2C)c(C)c1 1588511 KEYKGHFNBACYRE-UHFFFAOYSA-N 369.465 4.633 0 50 FJAA CCOC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 2009936 SLCGUGMPSUYJAY-GFCCVEGCSA-N 366.244 4.592 0 50 FJAA in-vitro COc1cc(Br)c(-c2nc3ccccc3s2)cc1OC 2876309 WWNDABIXHNLYJE-UHFFFAOYSA-N 350.237 4.743 0 50 FJAA Cc1ccc(NC(=O)c2ccccc2NC(=O)Cc2cccs2)cc1C 2939766 UJCASDKARCOCIP-UHFFFAOYSA-N 364.470 4.798 0 50 FJAA Cc1cc(S(=O)(=O)Oc2cccc3cccnc23)c(Cl)cc1Cl 2979155 HQJHOBANXABPTB-UHFFFAOYSA-N 368.241 4.618 0 50 FJAA COc1cccc(/C=C/C(=O)Nc2cccc(Br)c2)c1Cl 4542754 TVMRVOIKHLZJFG-CMDGGOBGSA-N 366.642 4.763 0 50 FJAA O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 4820513 CACJNPAXOINGIO-UHFFFAOYSA-N 364.832 4.522 0 50 FJAA CC1CCN(CCCCOc2ccc(C(=O)c3ccccc3)cc2)CC1 4845368 DZRHEMKECHPPNK-UHFFFAOYSA-N 351.490 4.809 0 50 FJAA CCCCCN(CCCCC)C(=O)[C@@H](C(=O)OCC)C1CCCCC1 5245025 PJNMGMKDBPBZJR-IBGZPJMESA-N 353.547 4.955 0 50 FJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1F 6260775 OEXGZOBZQUQSQV-UHFFFAOYSA-N 362.763 4.512 0 50 FJAA CCCn1c(SCc2csc(-c3ccccc3)n2)nnc1C1CC1 6400380 FRXYRLNEFGXILY-UHFFFAOYSA-N 356.520 4.981 0 50 FJAA Cc1ccc(NC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 9200949 LKUGVPIELRBYES-UHFFFAOYSA-N 364.449 4.796 0 50 FJAA Cc1ccc(OCCN(C)Cc2nc(-c3ccc(F)cc3)oc2C)cc1 12201316 WOKJYQGEJDYQLK-UHFFFAOYSA-N 354.425 4.608 0 50 FJAA Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)cc1 20779218 WVMWWHFAPOLSKH-QHCPKHFHSA-N 357.432 4.850 0 50 FJAA CCn1nc(CC(C)C)cc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F 91493413 DFLQBSQYHPJOGB-CYBMUJFWSA-N 367.415 4.611 0 50 FJAA O=C(Nc1ccc(-n2cccn2)cc1)N1CCCCC[C@@H]1c1ccco1 96149761 FHEKGDGNMTZUNG-GOSISDBHSA-N 350.422 4.615 0 50 FJAA Cc1cc([C@H](C)OC(=O)CCCOc2cccc(Cl)c2Cl)no1 225855848 KDDXWWFVVYXARC-NSHDSACASA-N 358.221 4.753 0 50 FJAA Cc1cc(F)cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 409715518 RNVJECDDDUZNLE-UHFFFAOYSA-N 354.450 4.539 0 50 FJAA CC(C)c1cccc2c1CCN(Cc1cc(O)nc(-c3ccccc3)n1)C2 1460046770 IUQUAWZRDSETNE-UHFFFAOYSA-N 359.473 4.531 0 50 FJAA FCc1ccc(CN=c2ccn(-c3ccc(Cl)cc3Cl)[nH]2)cc1 1875327074 YDBFRQZTTILAGF-UHFFFAOYSA-N 350.224 4.683 0 50 FJAA Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](c3cc(O)cc(F)c3)C2)cc1 2325860369 FROIPRWTMIFMKX-KRWDZBQOSA-N 365.452 4.609 0 50 FJAA c1ccc(-c2nc(NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 633232 VOTDVJMOMLEQMF-UHFFFAOYSA-N 355.397 4.638 0 50 FJAA O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 640849 WLAQUMHXLSWSGU-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA COc1cc(NC(=O)c2ccccc2-c2ccccc2)cc(OC)c1OC 645851 MYBCPBGUYUSMTL-UHFFFAOYSA-N 363.413 4.632 0 50 FJAA COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1Br 755531 TVLNYZQIXUQKGI-UHFFFAOYSA-N 374.322 4.912 0 50 FJAA O=C1NC(=S)N(C2CCCCC2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 756492 PTXAETVOBJKGAB-VQTJNVASSA-N 364.514 4.561 0 50 FJAA O=C(Oc1ccc(Nc2ncnc3ccccc23)cc1)c1ccc(F)cc1 955731 UVYAJUTXFPDFKY-UHFFFAOYSA-N 359.360 4.732 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1ccccc1C(F)(F)F)c1ccco1 991821 RUCOVPXZWVIWIM-UHFFFAOYSA-N 374.318 4.803 0 50 FJAA CC(C)(C)c1ccc(-c2nnc(NC(=O)Cc3ccccc3)s2)cc1 1017713 JLGZLWYBTPDCTQ-UHFFFAOYSA-N 351.475 4.684 0 50 FJAA O=C(Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1)c1ccccc1 1134219 OBQUHARCDGDNOP-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA C[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)C1 1460261 ANRVPJZSTPGDFQ-AWEZNQCLSA-N 365.864 4.822 0 50 FJAA O=C(/C=C/c1cc(Br)cs1)Nc1cccc2ncccc12 2332880 KWLMULARIJPHKR-VOTSOKGWSA-N 359.248 4.711 0 50 FJAA COc1ccc(-n2c([C@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 7275921 QKLMFWKDGOWBSV-CVEARBPZSA-N 357.866 4.863 0 50 FJAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c12 36613982 VZFZMWHUFANCFL-SLEUVZQESA-N 369.490 4.814 0 50 FJAA COc1ccc(-c2nc(CN3CCCC(F)(F)C3)c(C)o2)c(C)c1C 71756963 XXMWYBYBGWDFGD-UHFFFAOYSA-N 350.409 4.507 0 50 FJAA O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72475851 MGKHMHQXNDADMR-IBGZPJMESA-N 362.408 4.551 0 50 FJAA COc1cccc([C@H]2CCCN2C(=O)Nc2cc(C)nn2C2CCCC2)c1 96133709 MONNEVDAWJQSPM-LJQANCHMSA-N 368.481 4.684 0 50 FJAA O=C(N1Cc2cc(C(F)(F)F)ccc2C2(CCCCC2)C1)C(F)(F)F 211499014 IKKJCMQZWRTSAQ-UHFFFAOYSA-N 365.317 4.812 0 50 FJAA Cc1c(CN2CCC[C@H](C(=O)c3cccs3)C2)[nH]c2ccc(F)cc12 826604303 XIKAAXUXPMZYMR-AWEZNQCLSA-N 356.466 4.772 0 50 FJAA CC(C)(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)o1 727451 FXCNXLCZPIUZGB-UHFFFAOYSA-N 364.264 4.977 0 50 FJAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)c(F)cc1Cl 834613 RQMYMUFUXZPEDE-UHFFFAOYSA-N 358.775 4.856 0 50 FJAA CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)C(C)C)c2ccccc21 855961 NZUKXTSTQIFSJP-HRAATJIYSA-N 350.462 4.562 0 50 FJAA C[C@H]1CCc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1Cl 1111938 OOPUCXPKOTVEMQ-NSHDSACASA-N 368.235 4.879 0 50 FJAA Cc1cc(C)cc(NC(=O)CCC(=O)OCc2c(F)cccc2Cl)c1 1115601 MEHXSXLGMHAWDE-UHFFFAOYSA-N 363.816 4.558 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(F)cc1 1135721 LARGPKOAXXZAQJ-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA COc1ccccc1[C@@H]1C=C(Nc2ccccc2)C(=O)N1c1ccccc1 1201154 SLQXAPSTRQLTFB-NRFANRHFSA-N 356.425 4.779 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1F 4984865 ZOZUBKGJPMIXDM-UHFFFAOYSA-N 362.120 4.859 0 50 FJAA CCCCOC(=O)C[C@@H](C(=O)OCCCC)P(=O)(CCC)CCC 5298245 WGALUDJNNQMMKT-INIZCTEOSA-N 362.447 4.615 0 50 FJAA CC(=O)c1cccc(-c2cccc(-c3ccn(Cc4nccs4)n3)c2)c1 19226169 BHOXVEFHWVWBGN-UHFFFAOYSA-N 359.454 4.925 0 50 FJAA Cc1noc(C)c1NC(=O)c1ccc([C@H]2CCCN2C/C=C/C(C)C)s1 20537102 OCZKARXEBDLTQR-BIENSFFJSA-N 373.522 4.954 0 50 FJAA COc1ccc([C@](C)(O)[C@@H](c2ccc(Cl)cc2)c2ccccn2)cc1 71767128 JZQKTTVXWBFJEY-SFTDATJTSA-N 353.849 4.783 0 50 FJAA CC(=O)c1cc(CN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)cs1 72162207 SSVFCZPOLYMFBT-QGZVFWFLSA-N 357.454 4.693 0 50 FJAA c1ccc(C[C@@]23[C@@H]4[C@@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]5[C@@H]5[C@H]9C[C@H]([C@H]54)[C@@H]2[C@@H]2C[C@H]([C@@H]98)[C@H]7[C@@H]2[C@H]63)cc1 257358605 VGIIOXNEVDKDQW-IHOCECLRSA-N 352.521 4.607 0 50 FJAA Cc1ccnc(-c2cccc(C(=O)N(Cc3ccccn3)CC(C)C)c2)c1 426504653 VGIDLYCMYXHAFI-UHFFFAOYSA-N 359.473 4.750 0 50 FJAA Cc1cc(C)cc([C@H](OC(=O)[C@@H]2Cc3ccc(F)cc32)C(F)(F)F)c1 1354437493 DIWWVECDUCYHOZ-SJORKVTESA-N 352.327 4.929 0 50 FJAA Cc1nc(-c2ccncc2)nc(N2CC[C@@H](C)[C@H](c3ccccc3)C2)c1C 1875359102 UIXJGLOCICUPFJ-IIBYNOLFSA-N 358.489 4.785 0 50 FJAA Cc1ccc([C@]23C[C@H]2CN(C(=O)Nc2ccccc2[C@H]2CC2(F)F)C3)cc1 2325782116 ZIXFNHQWPQMQJM-YRISNDGFSA-N 368.427 4.923 0 50 FJAA O=c1oc(-c2ccccc2Br)nc2sc3c(c12)CCCC3 1061062 BHWCYXGQHJBIQX-UHFFFAOYSA-N 362.248 4.558 0 50 FJAA COc1cccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)c1 1077087 BHPFLYSUFIKUFI-UHFFFAOYSA-N 352.459 4.808 0 50 FJAA COc1cc2ccccc2cc1C(=O)Nc1cccc(Br)c1 1226321 ONOBQTRRKBLKLD-UHFFFAOYSA-N 356.219 4.863 0 50 FJAA CCOC(=O)c1cc(-c2ccccc2)nnc1Sc1ccc(F)cc1 1391015 TZFBTHUFOSHCPL-UHFFFAOYSA-N 354.406 4.611 0 50 FJAA COc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1OC 2982178 JXJFLLVVDAMGMT-HMMYKYKNSA-N 359.425 4.883 0 50 FJAA Cc1ccc(Cl)cc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 4536623 ZIJGUWNTLOYDSF-UHFFFAOYSA-N 372.940 4.513 0 50 FJAA O=C(Nc1ccccc1Cl)c1nnn(-c2ccccc2)c1-c1ccccc1 8021899 OWXLAOMFKMBRIY-UHFFFAOYSA-N 374.831 4.840 0 50 FJAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 14256850 UKNHPDOVDKRQJB-UHFFFAOYSA-N 353.443 4.897 0 50 FJAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 20603325 XSIXXSUIFPKDEW-UHFFFAOYSA-N 365.380 4.721 0 50 FJAA Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nn1 72115402 PIZILOHAYSAOLL-UHFFFAOYSA-N 373.334 4.848 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 101710527 GNIXJMMCZSNWBX-DSRCVFDASA-N 358.869 4.858 0 50 FJAA O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@H]1c1ccco1 170618144 MBXFSZITPIWIGQ-INIZCTEOSA-N 356.834 4.986 0 50 FJAA Cc1ccc([C@H]2CCCCN2C(=O)NCc2nc3ccccc3s2)o1 173255789 IZHQALKCZVKODI-OAHLLOKOSA-N 355.463 4.635 0 50 FJAA CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(O)cc1 944201 CEJFKNWAZLPXBW-UHFFFAOYSA-N 356.809 4.823 0 50 FJAA O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCCC1 1063706 YONHLJAIXDTAPX-UHFFFAOYSA-N 367.836 4.683 0 50 FJAA O=C(CSCc1cccc(Cl)c1)Nc1ccc(Br)cc1 1168049 BBHDWGPPXDPBSP-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA COc1cccc2cc(-c3nc(-c4ccc(F)cc4)cs3)c(=O)oc12 2883557 CYDNKOUPOCNZBT-UHFFFAOYSA-N 353.374 4.731 0 50 FJAA COc1cc(C=O)cc(Br)c1OCc1cccc(Cl)c1 4342699 OCUVTDWXHMAOCH-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA FC(F)(F)c1cccc2c(N3CCOCC3)cc(-c3ccccc3)nc12 4890874 BAZRVBSUZCYEQM-UHFFFAOYSA-N 358.363 4.757 0 50 FJAA O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 5090844 GBABKDLBZYHJLG-LJQANCHMSA-N 350.805 4.817 0 50 FJAA C[C@H]1CN(C(=S)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 13547763 XLGSPGIOZXDQEM-OKILXGFUSA-N 363.567 4.772 0 50 FJAA COC[C@@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C 14971866 SQDLJSKLJASTPU-INIZCTEOSA-N 368.399 4.670 0 50 FJAA CC(C)/C=C/CN1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1 19229334 VASUNORZKDWWJU-AATRIKPKSA-N 366.480 4.577 0 50 FJAA Cc1cc(Cn2ccc(-c3cccc(-c4nccc5occc45)c3)n2)no1 19837708 BGLRJPFOKIUQQX-UHFFFAOYSA-N 356.385 4.703 0 50 FJAA CCC[C@@H](C)c1nnc(NC(=O)N2CC[C@H](c3ccccc3F)C2)s1 20256647 AXUCKWYUAAFTAF-OLZOCXBDSA-N 362.474 4.602 0 50 FJAA O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1nc2ccccc2s1 45068040 GYUPIOHMTCRMER-UHFFFAOYSA-N 374.878 4.557 0 50 FJAA FC(F)(F)c1cccc(N2CCN(Cc3ccccc3Cl)CC2)c1 55543398 VDIVKKNESNONFV-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA CSCc1ccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)o1 65386199 ADWMNTBOKZZPLY-FQEVSTJZSA-N 366.486 4.674 0 50 FJAA Cc1ccccc1-c1ncc(CNCc2cn[nH]c2-c2cccs2)s1 67981702 HNVJMBZCQORBOC-UHFFFAOYSA-N 366.515 4.860 0 50 FJAA O=C(NC1(c2nc([C@@H]3CCCOC3)cs2)CCCCC1)c1ccccc1 183881272 LVVOLYWYMCJSIN-QGZVFWFLSA-N 370.518 4.627 0 50 FJAA CC1(C)CCC[C@@]2(C)[C@H](CCOC(=O)Nc3ccccc3)[C@@](C)(O)CC[C@H]12 239433074 XEMYEKIWQRPWRD-VNHKHXMHSA-N 373.537 5.619 0 50 FJAA COCCN(Cc1ccncc1)C(=O)c1ccc(-c2c(C)cccc2C)cc1 426658384 NDPNKUSGYMVSDU-UHFFFAOYSA-N 374.484 4.654 0 50 FJAA CCc1cccc(NC(=O)CCC(=O)N2CCCCC[C@H]2c2ccco2)c1 952864476 ZICVNYALMHJACM-IBGZPJMESA-N 368.477 4.705 0 50 FJAA CC(C)c1cccc2c1OCCC[C@H]2NCC1(c2ncccc2F)CC1 1875408455 WZSGDOORJIPEDI-LJQANCHMSA-N 354.469 4.879 0 50 FJAA C[C@H](c1ccc(CN2CCC(CO)(CC(F)F)CC2)cc1)C(F)(F)F 2325803873 HOFJHEULBWQJHK-CYBMUJFWSA-N 365.386 4.582 0 50 FJAA CCC[C@@H](NC1CN(C(=O)C2CC2)C1)c1ccc(Oc2ccccc2)cc1 2325822408 VXJUZKUAHGCTRS-JOCHJYFZSA-N 364.489 4.531 0 50 FJAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2 868818 TUAZKZJQTGCWHD-UHFFFAOYSA-N 372.380 4.518 0 50 FJAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C(Cl)(Cl)Cl 1069444 BGXMMYJEZILFOH-UHFFFAOYSA-N 370.623 4.507 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1OC(F)F 1112581 CIRTZEHWMOYSGW-UHFFFAOYSA-N 362.159 4.612 0 50 FJAA Cc1cc(NC(=O)c2ccccc2C)ccc1NC(=O)c1cccs1 1216866 YXKDJSQFNAPOFN-UHFFFAOYSA-N 350.443 4.870 0 50 FJAA CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 1565469 VBVAVBCYMYWNOU-UHFFFAOYSA-N 350.443 4.916 0 50 FJAA in-vitro COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCCCC1 6145353 WFZZMEZPUANQKD-UHFFFAOYSA-N 374.531 4.775 0 50 FJAA Cc1ccc2cccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2n1 6210060 KPUYUONHVDFSKZ-UHFFFAOYSA-N 355.459 4.608 0 50 FJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccccc1 13331662 KMEKRRXIWPFSLG-UHFFFAOYSA-N 354.841 4.846 0 50 FJAA O=C(C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)NCc1cccnc1 16623798 IIIBRVOCGTUQIM-HXUWFJFHSA-N 368.839 4.713 0 50 FJAA CCc1nn2c(ncc3c(=O)n(C(C)C)ccc32)c1-c1ccc(Cl)cc1 40397399 OSORVLRFELRBJK-UHFFFAOYSA-N 366.852 4.508 0 50 FJAA CS[C@@H](C)CCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67946259 GSBLTAPRIGYYHU-ZDUSSCGKSA-N 363.548 4.765 0 50 FJAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccsc1)CCO2 71315550 JMNOMRGEPOFRRX-UHFFFAOYSA-N 351.471 4.824 0 50 FJAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](CCc4ccccc4C)C3)c2c1 71748197 QSKGSTUFONNLDU-SFHVURJKSA-N 361.489 4.665 0 50 FJAA CC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CCc2cccs2)c1 96164911 WGUBQGTUSWQRNC-SFHVURJKSA-N 371.506 4.726 0 50 FJAA C[C@@H](OC(=O)CCn1ccc2ccccc21)c1nc2cc(Cl)ccc2[nH]1 170625407 DJYUUBOVKKCCJX-CYBMUJFWSA-N 367.836 4.866 0 50 FJAA Cc1nnc(-c2ccc(NC(=O)N[C@H]3CCCCc4ccccc43)cc2)o1 170650630 MIAPXGYUUXTFKX-IBGZPJMESA-N 362.433 4.634 0 50 FJAA CCOc1ccc(N(CC)C(=O)Nc2cc(-c3ncco3)ccc2C)cc1 241720901 QTGBTJMOSLNAEY-UHFFFAOYSA-N 365.433 5.107 0 50 FJAA CN(C(=O)[C@@]12[C@H]3CC[C@@H](C[C@H]31)C2(F)F)[C@H]1CC[C@H](c2ccccc2)CC1 1875405649 LCQXQRPCCUHUOD-VSOYCCJCSA-N 359.460 4.853 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 622273 OFMAMRGSJZXYCB-JTQLQIEISA-N 363.866 4.565 0 50 FJAA Cc1cc2oc(=O)c3c(c2cc1O[C@@H](C)C(=O)c1ccccc1)CCCC3 1050220 XEXDMPKHTHUCOC-HNNXBMFYSA-N 362.425 4.630 0 50 FJAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 1183300 CSVFZVCDPSSYPZ-GFCCVEGCSA-N 368.458 4.779 0 50 FJAA COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 1211140 JQJHZCATXXPHTC-UHFFFAOYSA-N 362.360 4.895 0 50 FJAA Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)nc2)c(C)c1 1213952 BCORWLLMENJLLT-UHFFFAOYSA-N 373.456 4.820 0 50 FJAA CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 1264563 OVRDVOPGZCLDNB-LBPRGKRZSA-N 358.438 4.966 0 50 FJAA CCN(CC)c1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 2318245 LLTBNYRLMGNXOJ-UHFFFAOYSA-N 370.452 4.585 0 50 FJAA CC1(C)Cc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)CS1 2326844 DPUPSGYCTODLFY-UHFFFAOYSA-N 360.529 4.678 0 50 FJAA CCCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 4820843 FOQAIFYGRARORI-UHFFFAOYSA-N 372.277 4.546 0 50 FJAA CCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 6659274 CIIRTCYWMNHNRZ-HXUWFJFHSA-N 361.445 4.669 0 50 FJAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 12137904 WUZUUQGQLPZDPI-KRWDZBQOSA-N 365.351 4.516 0 50 FJAA c1ccc(CN(Cc2nccs2)Cc2cccn2-c2nccs2)cc1 55108648 FETZJSMYQFDHNJ-UHFFFAOYSA-N 366.515 4.593 0 50 FJAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCC[C@@H]1CCc1cccs1 77406742 YZNBLXSMMCDUTH-MRXNPFEDSA-N 365.502 4.766 0 50 FJAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(Cl)c(Cl)[nH]1 170624995 VBKFEZWZNNCBRW-XPTSAGLGSA-N 373.667 4.577 0 50 FJAA Cc1ccc2c(C)c(C(=O)Nc3ccc(-c4cc(O)nc(C)n4)cc3)oc2c1 238882012 BTSYYKVGOOMNQC-UHFFFAOYSA-N 373.412 4.773 0 50 FJAA Cc1[nH]c2ccccc2c1C(=O)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1455989561 KGDBHTFHMFKVGM-UHFFFAOYSA-N 358.323 4.624 0 50 FJAA CC[C@H](CC(=O)N1CCC(c2ccccc2)(C(F)(F)F)CC1)C(F)F 2325791911 IFCSHVVSYPGCKB-CYBMUJFWSA-N 363.370 4.791 0 50 FJAA CCc1cc(C)c(-c2nc(CC3CC3)nn2-c2cc(C)ccc2OC)o1 2325839953 KHSGWNSXLSGFDD-UHFFFAOYSA-N 351.450 4.668 0 50 FJAA Cc1ccc2c(c1)c(CCN=c1cc[nH]c3ccc(OC(C)C)cc13)cn2C 2325852822 UUSCFNBFKCJAFS-UHFFFAOYSA-N 373.500 4.899 0 50 FJAA O=C(NCc1cccs1)c1cccc(COc2cccc(Cl)c2)c1 676057 WGQUJVJDLVDPBO-UHFFFAOYSA-N 357.862 4.911 0 50 FJAA O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3ccc(Cl)cc3)N12 977319 BKGPIZVLNPWNBR-LJQANCHMSA-N 366.873 4.684 0 50 FJAA COc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 992027 BKUMZTJLRXKYLZ-UHFFFAOYSA-N 352.430 4.783 0 50 FJAA Clc1ccc(OCCOCCNCc2ccccc2)c2ccccc12 2822329 GBHJAJNQNRKFEQ-UHFFFAOYSA-N 355.865 4.678 0 50 FJAA CCCCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 2851813 HTFNOYJHDBAOIH-UHFFFAOYSA-N 374.325 4.654 0 50 FJAA COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1Br 4140784 PMBIZNGETYOLED-VMPITWQZSA-N 356.219 4.882 0 50 FJAA O=c1c(CN2CC=C(c3ccc(F)cc3)CC2)coc2ccc(Cl)cc12 4985839 WELKTNAIUMDTDT-UHFFFAOYSA-N 369.823 4.875 0 50 FJAA COc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1 5013848 OZHVXNIVHQUTAY-UHFFFAOYSA-N 369.468 4.838 0 50 FJAA N=c1sc(Cc2cccc3ccccc23)cn1CC(=O)c1ccccc1 5555012 LWPILNGPKKMUEL-UHFFFAOYSA-N 358.466 4.656 0 50 FJAA Cc1ccc(C(=O)N(C(=O)c2ccc(C)c(C)c2)c2ccccn2)cc1C 8323421 MHHADVUSVBNWSR-UHFFFAOYSA-N 358.441 4.802 0 50 FJAA COc1ccc(-n2ncc([C@@H](C)NCc3cccc(SC)c3)c2C)cc1 11842737 PGKGNPCOSAZLMJ-OAHLLOKOSA-N 367.518 4.762 0 50 FJAA Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2ncc(-c3ccccc3Cl)c2n1 23114950 GNBDHOVYHHUXLM-OKILXGFUSA-N 354.885 4.840 0 50 FJAA COc1cc2c(cc1-c1c(-c3ccccc3)ncn1C1CC=CC1)OCO2 65454916 ITNXOARGADSXLB-UHFFFAOYSA-N 360.413 4.846 0 50 FJAA CC(C)[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 223227228 GDOWJKIBVINQRS-JOCHJYFZSA-N 374.488 4.501 0 50 FJAA CN(C(=O)c1cccc(OCc2cccnc2)c1)C(C)(C)c1ccccc1 253423110 MFEIJQQAPNIEIP-UHFFFAOYSA-N 360.457 4.668 0 50 FJAA COCCn1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c2ccccc21 497334316 WLHAMSHPTXHLJZ-KRWDZBQOSA-N 372.468 4.932 0 50 FJAA CCc1nc2cc(NC(=O)c3cc(-c4ccccc4)no3)ccc2n1CC 823582682 ZYULDMAYKVRJFA-UHFFFAOYSA-N 360.417 4.526 0 50 FJAA CC1CCC([C@@](O)(CNCc2ccc3c(c2)CCCC3)C(F)(F)F)CC1 2325841660 CIWWJOADMLJJJQ-OAAAQFAESA-N 369.471 4.775 0 50 FJAA Cc1nnc(N2CCC[C@H](CCCc3ccccc3)C2)n1Cc1ccccc1 2325842389 WVMCJCRTDOUSGO-QFIPXVFZSA-N 374.532 4.874 0 50 FJAA O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 629170 AUIFSJWYEOKXMC-UHFFFAOYSA-N 365.816 4.589 0 50 FJAA O=C(Nc1nnc(-c2cccs2)s1)c1ccc(OC2CCCC2)cc1 648297 IJXHWLLFDOLGHW-UHFFFAOYSA-N 371.487 4.840 0 50 FJAA Cc1ccc(-c2csc(NC(=O)c3cccc(C)c3)c2C(=O)O)cc1 708544 IFUQFGLMSDXWSZ-UHFFFAOYSA-N 351.427 4.982 0 50 FJAA Cc1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 729525 OCHGTWOMKYPFEX-FGZHOGPDSA-N 361.416 4.978 0 50 FJAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1Cl 1165335 VQDWZTRJKPMINU-INIZCTEOSA-N 370.880 4.763 0 50 FJAA Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c(C)c1 1173181 OABOSLMYUMVVNC-UHFFFAOYSA-N 362.212 4.969 0 50 FJAA O=C(Nc1cccc2nsnc12)c1cccc(OCc2ccccc2)c1 1176214 BNPPKPOJUGYGEK-UHFFFAOYSA-N 361.426 4.523 0 50 FJAA CC(=O)N(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 3261145 CJZALZFUVCJHKV-UHFFFAOYSA-N 358.850 4.790 0 50 FJAA Brc1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc1 4264168 CJRGWUABMOPMBW-UHFFFAOYSA-N 359.267 4.967 0 50 FJAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCc3ccccc3)c2c1 6401247 PBPVEMQCYAMUAV-UHFFFAOYSA-N 367.452 4.578 0 50 FJAA Cc1csc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)n1 17208330 FMKRJNAUBWDCBD-UHFFFAOYSA-N 372.500 4.624 0 50 FJAA Cc1ccccc1-n1nc(-c2cc(F)c(Cl)cc2Cl)cc1C(=O)O 25781566 DHMJUYTVKYFAKF-UHFFFAOYSA-N 365.191 4.992 0 50 FJAA O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1C[C@H]2CCC[C@@H]1C2 59418183 YWPBKIMOIOSVDW-PKOBYXMFSA-N 360.457 4.628 0 50 FJAA CC(C)c1nc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)cs1 77564163 XURPDBVUCSOTQF-UHFFFAOYSA-N 359.882 4.600 0 50 FJAA Cc1cc(=NC(=O)N2CCC[C@H]2c2cccs2)[nH]n1C1CCCCC1 329539363 WAJYCEVIRWPUEO-INIZCTEOSA-N 358.511 4.549 0 50 FJAA O=C(NCC1(N2CCCC2)CCCC1)c1ccc(-c2cccs2)cc1 426538380 OGWAMKNOGNHSGN-UHFFFAOYSA-N 354.519 4.554 0 50 FJAA Cc1ccc(N(C)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c(C)c1 741181540 UVTWPBFVPDSRIL-HOTGVXAUSA-N 363.379 4.969 0 50 FJAA Cc1nc(-c2ccccc2Cl)sc1C(=O)OCCc1cccnc1 2325721711 BHSZSBZFDRPBDF-UHFFFAOYSA-N 358.850 4.566 0 50 FJAA CO[C@H]1CC[C@H](NC(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 2356154706 GZAPQIPFKFMFPT-BJLQDIEVSA-N 371.908 4.936 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)cc1 848978 UEPVBBRTROFRLZ-UHFFFAOYSA-N 373.456 4.884 0 50 FJAA O=c1c2c3c(sc2ncn1Cc1ccc(Cl)cc1Cl)CCCC3 951859 CNXKUONEOZZQMV-UHFFFAOYSA-N 365.285 4.692 0 50 FJAA COc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 1112970 OWVMIQZWZJTOEJ-JQIJEIRASA-N 373.452 4.623 0 50 FJAA O=C(c1ccccn1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 2555426 GZTUXOWPGYDWNO-UHFFFAOYSA-N 370.252 4.898 0 50 FJAA CCN1C(=O)c2cccc3c(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc1c23 3899899 VRXGNFXZSPDXHS-UHFFFAOYSA-N 374.484 4.975 0 50 FJAA COc1ccccc1Oc1ccc(NC(=S)NC2CCCCC2)cn1 4838742 DEGOTQYWWSNRCO-UHFFFAOYSA-N 357.479 4.502 0 50 FJAA O=C(CNC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccccc1 4868097 IKPZRMONANVIIR-UHFFFAOYSA-N 373.330 4.578 0 50 FJAA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 5775827 PJMUFKFWQNWHCY-UHFFFAOYSA-N 359.248 4.825 0 50 FJAA in-vivo Clc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1Cl 13131446 IOUCPTPGGGJRIL-OLZOCXBDSA-N 351.262 4.793 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 15070577 PPEIFBWMCASMCQ-OAHLLOKOSA-N 371.406 4.874 0 50 FJAA Cc1nn(CCc2nc(-c3ccc(F)cc3F)cs2)c(C)c1Cl 20606191 RNEOTDMVZISDBZ-UHFFFAOYSA-N 353.825 4.798 0 50 FJAA Cc1nn(C)c(C)c1[C@@H](C)n1cnc(-c2ccccc2)c1-c1cccc(O)c1 65375715 WOAZGDLSQXNERQ-QGZVFWFLSA-N 372.472 4.882 0 50 FJAA COc1ccc(CN(CCC2=CCCCC2)C(=O)c2cc(C)no2)cc1 97179500 NRRRKFFVMPKHFK-UHFFFAOYSA-N 354.450 4.525 0 50 FJAA CC1=CC[C@@H](OC(=O)c2ccc(O)cc2)C(C)=C[C@@H](O)C(C)(C)CCC1 254766195 JDZBITULCWBIMC-WOJBJXKFSA-N 358.478 4.771 0 50 FJAA biogenic c1ccc(COC[C@@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)O2)cc1 257367237 WSUZUZKCMDWXQS-ZEQRLZLVSA-N 359.469 4.803 0 50 FJAA COc1ccc2c(C)c(C(=O)Nc3cccc(CN4CCCC4)c3)oc2c1 824758927 DMFUCLYKIZTZES-UHFFFAOYSA-N 364.445 4.598 0 50 FJAA CCc1nc(C)c(C(=O)Nc2cccc(NC(=O)C3CCCC3)c2C)s1 952968535 NFQHANGTXPHOKH-UHFFFAOYSA-N 371.506 4.703 0 50 FJAA O=C(N[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1)c1cc2ccccc2nc1O 1875341582 YQFFLJWLUJHEBB-CRAIPNDOSA-N 364.420 4.536 0 50 FJAA COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC[C@@H](C)C2 951820 ITBNUOODQIXHRZ-LLVKDONJSA-N 357.475 4.529 0 50 FJAA Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1110740 IREYHPKVIHDRGK-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA CCOC(=O)c1cc(C(=O)c2ccccc2)[nH]c1Nc1ccc(Cl)cc1 1400268 JXKLQLBFCDYDBF-UHFFFAOYSA-N 368.820 4.819 0 50 FJAA CC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccc(F)cc1 2222060 NQVKLAJMQKOKIU-NRFANRHFSA-N 351.421 4.989 0 50 FJAA CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc2c(c1)OCO2 2287517 LGYVUXMSMGUEOE-GOSISDBHSA-N 363.350 4.792 0 50 FJAA CCCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2495030 CNLPTZIVTJLNEY-UHFFFAOYSA-N 357.397 4.849 0 50 FJAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 4156280 WMEFJLVEGHRWBZ-UZNLNLPZSA-N 368.304 4.846 0 50 FJAA O=C(Nc1ccccc1)Nc1nnc(CSCc2ccc(F)cc2)s1 8743498 RPCYXTCHLWCGBS-UHFFFAOYSA-N 374.466 4.755 0 50 FJAA O=C(CCc1ccccc1)Nc1ccc(Oc2ccsc2C(=O)O)cc1 12959862 UTRUQPRUIDDFFP-UHFFFAOYSA-N 367.426 4.810 0 50 FJAA CC[C@@H](C)NC(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C 20573098 NXJYUMUJVOXOBJ-SNVBAGLBSA-N 369.296 4.775 0 50 FJAA Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)ncn2Cc2cnn(C)c2C)o1 65507518 ULLKURCMSSPVGY-INIZCTEOSA-N 374.488 4.888 0 50 FJAA Cc1ccccc1-c1ncc(CNCc2nc3ccc(Cl)cc3[nH]2)s1 67561767 ZNQPPSRNGYKWCG-UHFFFAOYSA-N 368.893 4.938 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)Cc3csc(C(C)C)n3)oc2c1 91895393 WAGNARGQQRMDIU-UHFFFAOYSA-N 358.463 4.602 0 50 FJAA Cc1nc(CNC(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)cs1 95527643 BJIKBLYELNBMSB-SFHVURJKSA-N 370.905 4.943 0 50 FJAA Cc1ccc(C)n1CCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 409414701 UUOWRVQZVUUSJL-UHFFFAOYSA-N 361.489 4.682 0 50 FJAA CC(=O)O[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@@]1(C)C3 504787697 CSADACRWWVVNQF-PFSNISKQSA-N 362.510 4.806 0 50 FJAA biogenic CCCOP(=O)(OCCC)O/C(C)=C/C(=O)N1CCCC[C@H]1CC 822975089 PNCSHUXWWBXKPF-UTZKEFOASA-N 361.419 4.659 0 50 FJAA COc1cc(NC(=O)[C@H](C)c2ccc(C)cc2)ccc1NC(=O)CC(C)C 824596649 CEAXDLHZOHEWFQ-MRXNPFEDSA-N 368.477 4.730 0 50 FJAA CCC(CC)C(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 849188298 XWKHTJZZUUJEJM-INIZCTEOSA-N 355.265 4.911 0 50 FJAA C[C@H]1CCCN(CCOCCOc2ccc(Cl)cc2C(C)(C)C)C1 2823137 KBGQVTSMHGPVQX-INIZCTEOSA-N 353.934 4.765 0 50 FJAA Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCc3ccccc3)nc2C1 10156892 DUWXYFQKWCHVKN-GOSISDBHSA-N 357.457 4.618 0 50 FJAA Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 170630947 XGEZHQDJNPCJIE-GHTZIAJQSA-N 366.505 4.628 0 50 FJAA Cc1ccc(C2=NN3[C@H](C(=O)c4ccccc4)Oc4ccccc4[C@@H]3C2)cc1 239331378 KNUFSHCWERZOMD-URXFXBBRSA-N 368.436 4.748 0 50 FJAA aggregator CCOc1ccccc1[C@H](CC)NC1CCN(CCC(F)(F)F)CC1 463112786 LWNXOUWYIDWYMM-KRWDZBQOSA-N 358.448 4.543 0 50 FJAA Cn1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 477252294 LUQCBFPIVUPTRG-UHFFFAOYSA-N 358.363 4.641 0 50 FJAA O=C(O)C12CC(CN3CCc4sccc4[C@H]3c3ccc(Cl)cc3)(C1)C2 2325773167 ZMKGGOAVLYQQGW-QHGAOEGBSA-N 373.905 4.604 0 50 FJAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1F 682412 YOUKWMSNBMYMMI-UHFFFAOYSA-N 353.780 4.962 0 50 FJAA COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccccc3)cc1)CC2 752249 YUOFPIFTPKDZRM-UHFFFAOYSA-N 359.469 4.929 0 50 FJAA O=C(/C=C/c1ccccc1)Nc1nc2ccc(Br)cc2s1 945507 LJLGPBXYJINZTA-RMKNXTFCSA-N 359.248 4.711 0 50 FJAA Cc1cccc([C@@H](CC(=O)NCCc2ccccc2)c2ccccc2)c1O 1133042 PMXBRDJGIRULCS-QFIPXVFZSA-N 359.469 4.582 0 50 FJAA CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 1141528 JGIMHDCEYKUDFN-UHFFFAOYSA-N 357.866 4.593 0 50 FJAA CN(C)c1ccc(NC(=O)COc2ccccc2Cl)c2ccccc12 1179292 GXXKJZBREGFKEH-UHFFFAOYSA-N 354.837 4.577 0 50 FJAA O=Cc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc12 4757910 PNXREHXDCNSLKF-UHFFFAOYSA-N 370.408 4.885 0 50 FJAA C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 4912148 ZJXJEOGJZZPLGA-RDFMZFSFSA-N 357.837 4.622 0 50 FJAA Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc(C)c2)cc1 5061411 OCJMULHGTKUVJU-CJLVFECKSA-N 370.452 4.713 0 50 FJAA c1ccc(-c2ncc(CN3CC[C@]4(CCCN(CC5CC5)C4)C3)s2)cc1 11842950 FKZVNBVGRXBNEP-QFIPXVFZSA-N 367.562 4.508 0 50 FJAA Cc1ccsc1CN1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 14986768 KTEKYDLWGKZFSU-UHFFFAOYSA-N 355.482 4.965 0 50 FJAA c1cc(-c2cncnc2)cc(-c2ccn(CCc3c[nH]c4ccccc34)n2)c1 19810110 WPAKWZHIKMCAGS-UHFFFAOYSA-N 365.440 4.731 0 50 FJAA Nc1cccc(Cl)c1NCCNc1ncc(C(F)(F)F)cc1Cl 20218577 VCRMTOLMXQCUEV-UHFFFAOYSA-N 365.186 4.513 0 50 FJAA CCCCN(Cc1ccco1)C(=O)Nc1cc(NC(=O)CC)ccc1F 96132311 MVEYPUQNUZFMIB-UHFFFAOYSA-N 361.417 4.601 0 50 FJAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1Cl 239339276 LXWFZMOMVNLPLZ-PSBWJHGTSA-N 355.865 4.664 0 50 FJAA CCCCCC[C@]1(C)N=C(O)N(c2csc(-c3ccccc3)n2)C1=O 328595454 VKZOIYOGFKQIPI-IBGZPJMESA-N 357.479 4.800 0 50 FJAA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccccc1F 723753 YGRJTKPIMQDRNT-UHFFFAOYSA-N 359.356 4.851 0 50 FJAA CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](C)C2 837703 ONDSJEBRNDPFLM-LBPRGKRZSA-N 357.475 4.610 0 50 FJAA O=C(O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 1066923 HSDCGYROCAHZNU-UHFFFAOYSA-N 370.202 4.553 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1107620 IZAHXGJFOJQXIC-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA CCCCOc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1 2844510 KAZASLOPKRYTCD-UHFFFAOYSA-N 359.476 4.698 0 50 FJAA O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1 5099422 LEJFCOJVVHBGRC-UHFFFAOYSA-N 362.454 4.593 0 50 FJAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 12193129 IZNBFTLAGAWFNC-GOSISDBHSA-N 373.452 4.663 0 50 FJAA Clc1ccc(-c2n[nH]cc2CN2CCC[C@@H](Nc3ccccc3)C2)cc1 12317559 UFSIXQLWANASGS-HXUWFJFHSA-N 366.896 4.807 0 50 FJAA O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 13151809 ZUXHVMXOTOYINI-DYESRHJHSA-N 360.438 4.501 0 50 FJAA O=C(Nc1ccon1)c1sc2cc(Br)ccc2c1Cl 13745856 OHMPWNBDKJYFOY-UHFFFAOYSA-N 357.616 4.558 0 50 FJAA CC[C@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 16661434 VPNFMDKUILVWPM-IBGZPJMESA-N 350.462 4.652 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1cccc(F)c1 36620335 HHTGLJYYWGOLAP-GOSISDBHSA-N 354.356 4.597 0 50 FJAA COC[C@H](C)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 426509246 CJTJVRBNDJLVNP-INIZCTEOSA-N 355.453 4.627 0 50 FJAA Cc1ccc(C)c(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 888518 KDSWKNUQUARXGU-UHFFFAOYSA-N 357.504 4.656 0 50 FJAA CC1=C(C)C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)[C@@H](C(=O)O)C1 971760 MBSZQOGOVMXQJX-ROUUACIJSA-N 363.413 4.972 0 50 FJAA COc1ccccc1/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1 1139213 LSBXBZBCVZPZNM-WUKNDPDISA-N 357.453 4.937 0 50 FJAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1C 6697265 MNGCACZLYZPWOL-UHFFFAOYSA-N 370.840 4.752 0 50 FJAA O=C(Nc1ccccc1Oc1ccsc1C(=O)O)c1ccccc1F 12959068 DPMXJCXLTGHXFC-UHFFFAOYSA-N 357.362 4.630 0 50 FJAA COc1ccc(-c2ccc3oc(-c4cccnc4)nc3c2)c(OC)c1OC 67881097 ZORMFKOJHYHKHA-UHFFFAOYSA-N 362.385 4.583 0 50 FJAA C[C@@H]1CC(=O)CC[C@H]1c1nc(C2(c3c(F)cccc3F)CCCC2)no1 329597287 PJMNFKDXOQPSEO-TZMCWYRMSA-N 360.404 4.681 0 50 FJAA CC[C@H](C)n1nc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1C 330730706 IGWUTQCWNIZXKW-WFASDCNBSA-N 362.543 4.884 0 50 FJAA C[C@H](Cc1ccco1)n1cc(O)c(-c2nc(-c3ccccc3)cs2)c1N 409413680 QZUFHDPHVJNFBU-CYBMUJFWSA-N 365.458 4.963 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCc1cccc(Cl)c1 996647 SZBWUWNCTPJIKB-NSHDSACASA-N 372.679 4.773 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cccc(F)c1 1125796 CFKPACFCOBFPAB-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA CN(C)c1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 6673353 NABCPGKUYJVPLT-UHFFFAOYSA-N 365.473 4.840 0 50 FJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(F)cc1F 8076428 QWPOBCXUPBSTPC-UHFFFAOYSA-N 366.726 4.973 0 50 FJAA Cc1oc(-c2cccc3ccccc23)nc1CN(CCO)Cc1ccccc1 15070643 LYAGSILRTNBHAQ-UHFFFAOYSA-N 372.468 4.798 0 50 FJAA O=C(c1cccnc1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71750572 SXHCHXZTPOJQHS-MRXNPFEDSA-N 362.395 4.585 0 50 FJAA CC(=O)c1cc(C(=O)N2CCC(Sc3cccc(C)c3)CC2)cs1 97601079 FTOFTJUXGSQWOY-UHFFFAOYSA-N 359.516 4.656 0 50 FJAA O=C(Nc1ccccc1OC1CCCC1)N1CCO[C@@H](c2ccsc2)C1 152455231 LWSOIDDVZWEFSZ-LJQANCHMSA-N 372.490 4.675 0 50 FJAA CSc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1 169775673 LMMBLXAVHVBPHM-UHFFFAOYSA-N 361.430 4.659 0 50 FJAA COc1cc(-c2cc(F)cc(OCc3ccccc3)c2)ccc1C(=O)O 216709748 SVIRWUWFMLAYPA-UHFFFAOYSA-N 352.361 4.779 0 50 FJAA COC(=O)[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)c1ccccc1 239432821 WNYHDIOZNFFNJJ-XRXFAXGQSA-N 352.474 4.965 0 50 FJAA biogenic CN(C)Cc1ccc([C@H]2CCCCN2Cc2cnn(-c3ccccc3)c2)cc1 1506404497 YMKWBESSYJEDIG-XMMPIXPASA-N 374.532 4.661 0 50 FJAA COCCN(Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[C@H]1C 1875355876 DDZQQSNPVUWCGX-FOIQADDNSA-N 373.928 4.742 0 50 FJAA FC(F)(F)c1cc2ccccc2c(=NCCN2CCCc3ccccc32)[nH]1 1875360209 BFPANVPHFNYZOJ-UHFFFAOYSA-N 371.406 4.540 0 50 FJAA C=CC(=O)N(CC1=CCCCC1)Cc1cnc(-c2ccccc2F)s1 1875386298 MGXYODVRBDCJMT-UHFFFAOYSA-N 356.466 4.964 0 50 FJAA NC(=O)c1c(C2CCCCC2)csc1NC(=O)CCCc1ccccc1 2325690783 LGVMAJUTACUVNY-UHFFFAOYSA-N 370.518 4.856 0 50 FJAA O=C(/C=C/c1cccc(Br)c1)NCc1ccc2ccoc2c1 2325735834 GIKAUPZKYYKNLI-FNORWQNLSA-N 356.219 4.525 0 50 FJAA O=C(CSc1nc2ccccc2s1)Nc1nc2ccccc2s1 872278 QKFMABOMZBBKTL-UHFFFAOYSA-N 357.485 4.637 0 50 FJAA O=C(CN1C2=NCCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1 1823679 AEPNJSXHHVEOEX-UHFFFAOYSA-N 367.452 4.623 0 50 FJAA COc1ccc(CC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 2357191 PHXYCKHRYZPKJE-UHFFFAOYSA-N 372.424 4.993 0 50 FJAA CCCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl 4814304 LZKUIGKSPZXSGG-UHFFFAOYSA-N 365.260 4.776 0 50 FJAA Cc1ccc(N[C@H]2CCCN(C(=O)CCc3ccccc3C)C2)cc1C 11821926 APZMCRINMTZJLY-QFIPXVFZSA-N 350.506 4.648 0 50 FJAA CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 12513991 BWRFSTMSDJRPBT-UHFFFAOYSA-N 367.452 4.789 0 50 FJAA C[C@H](c1ccon1)N(C)C(=O)CC1c2ccccc2CCc2ccccc21 15063957 ZBSSPUWJLSNNFX-MRXNPFEDSA-N 360.457 4.515 0 50 FJAA c1ccc(COC[C@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)O2)cc1 26522850 WSUZUZKCMDWXQS-DNQXCXABSA-N 359.469 4.803 0 50 FJAA CCOC(OCC)c1cccc(C=C(Br)Br)c1 43214955 UCNWNMYRRICTJA-UHFFFAOYSA-N 364.077 4.846 0 50 FJAA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(OC)c(F)c3)c2)C1 299762119 RKIHZNDKIAXUAC-IBGZPJMESA-N 371.452 4.533 0 50 FJAA O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)[C@H]1Cc2ccccc21 763010244 HYROPWPAVRBESK-GOTSBHOMSA-N 357.453 4.631 0 50 FJAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2cc3ccccc3[nH]2)c1 952982076 JPZWCLIORSAXEE-UHFFFAOYSA-N 361.445 4.857 0 50 FJAA C/C(=C\C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cccnc1 2325738417 RSOYNKWWEUDLMB-NICVJUJWSA-N 361.272 4.854 0 50 FJAA CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OC 2886202 WYNQRZARKBHRMU-ZDUSSCGKSA-N 364.283 4.707 0 50 FJAA CCOc1ccccc1OCCOCCOc1c(Cl)cccc1Cl 2984821 QTHKJNWQVAUNJP-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA Cc1ccccc1C(=O)Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 3902762 DBPLWJHZILLNKZ-UHFFFAOYSA-N 352.386 4.834 0 50 FJAA biogenic Cc1ccc(C(=O)CNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 4834449 XTXIZBVGCRVVTM-UHFFFAOYSA-N 353.805 4.521 0 50 FJAA Cc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)oc1C 12194315 KAZLUICXQDGQNC-LJQANCHMSA-N 357.404 4.528 0 50 FJAA O=C(CCC(F)(F)F)N1CCc2onc(-c3cccc4ccccc34)c2C1 12429671 HBSLHKMNWRCDKR-UHFFFAOYSA-N 374.362 4.722 0 50 FJAA CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccn[nH]2)cc1 15074752 SPGMIMPOVKRAPX-QFIPXVFZSA-N 374.513 4.761 0 50 FJAA Cc1cccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)c1C 17124569 XYWFDDYHYLNATQ-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(F)F)cc(C4CC4)nc32)c1 20604506 XQBSZAKREYKPPL-UHFFFAOYSA-N 359.401 4.567 0 50 FJAA CCN(CC)Cc1cccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)c1 63871124 DEVPAJFPQUQOMZ-UHFFFAOYSA-N 367.880 4.599 0 50 FJAA Cc1cc(=NC(=O)N2CCC[C@@H]2c2cccs2)[nH]n1C1CCCCC1 329539364 WAJYCEVIRWPUEO-MRXNPFEDSA-N 358.511 4.549 0 50 FJAA CC(C)[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1ccccn1 534587188 GNVVYABEEGSNFC-QGZVFWFLSA-N 365.399 4.639 0 50 FJAA Cc1cc(Oc2ccncc2)ccc1NC(=O)NC[C@]12CCCC[C@H]1C2 1875338886 PHXXFYPUYGHTLR-HRAATJIYSA-N 351.450 4.884 0 50 FJAA CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@H](C)C2 2902391 NZPLEADDWSVUKC-AWEZNQCLSA-N 371.502 4.621 0 50 FJAA O=C(C[C@H](NC1CCCCC1)C(=O)O)c1ccc(C2CCCCC2)cc1 4118432 JHMCFSSMQCJLIA-FQEVSTJZSA-N 357.494 4.683 0 50 FJAA COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C 4843480 IAHQRSKCEJSDNL-UHFFFAOYSA-N 373.412 4.768 0 50 FJAA Cc1ccc(Cn2c(S)nnc2CSCc2ccccc2C)cc1 6788340 BBZASKSBUBFJGQ-UHFFFAOYSA-N 355.532 4.665 0 50 FJAA O=C(c1csc2nc(-c3cccc(F)c3)cn12)N1CCCCCCC1 12300473 SSXDQXPNVDUZBC-UHFFFAOYSA-N 357.454 4.608 0 50 FJAA O=c1cc(O)c2sc3nc(-c4cccs4)cc(C(F)F)c3c2[nH]1 12374996 OEWVPAREMVWXGK-UHFFFAOYSA-N 350.371 4.510 0 50 FJAA C[C@@H]1[C@@H]2CCCN2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 22078181 QZDKTMYGVONXAB-UZLBHIALSA-N 358.570 4.656 0 50 FJAA COCc1nc(C)c(CNCc2c(C)n(CC(C)C)c3ccccc23)s1 55327453 MVDOQMVXOOVFLU-UHFFFAOYSA-N 371.550 4.807 0 50 FJAA Cc1cc(CNC(=O)c2ccncc2F)c2[nH]c(-c3ccccc3)c(C)c2c1 71575814 VOQPIUYOGNHFRJ-UHFFFAOYSA-N 373.431 4.916 0 50 FJAA CC(C)(C)C(=O)Nc1ccncc1CN1CCCCC[C@@H]1c1ccncc1 170594587 GHYBGFMJBXKYMV-HXUWFJFHSA-N 366.509 4.579 0 50 FJAA C[C@H](CCC(=O)N[C@H](c1cccs1)C(C)(C)C)NC(=O)OC(C)(C)C 170614741 NEBVQHAVOIBDKW-CZUORRHYSA-N 368.543 4.645 0 50 FJAA O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1cccn1C1CC1 187313378 OTYDDBNZUNPKOI-MRXNPFEDSA-N 374.868 4.677 0 50 FJAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239403281 RRSLLQLMRWNJBR-ZSAUSMIDSA-N 358.696 5.135 0 50 FJAA aggregator Cc1nc(C(=O)Nc2cccc(C(C)C)c2)nn1-c1cccc(Cl)c1 252488128 IKZBFJDRJXQEJT-UHFFFAOYSA-N 354.841 4.605 0 50 FJAA CC(C)(C)c1ccc(-c2cccc(NC(=O)NCCn3ccnc3)c2)cc1 2325705768 LAWDOCLDBTYYEN-UHFFFAOYSA-N 362.477 4.669 0 50 FJAA O=C(NCc1ccc(-c2ccccc2)cc1)c1cc2c(nc1O)CCCCC2 2325734440 XPYYCEPXPMVYFX-UHFFFAOYSA-N 372.468 4.653 0 50 FJAA Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H]3CC[C@H]3C3CC3)cccc2c1=O 2325748162 XMODSWLUTWFHIL-FXAWDEMLSA-N 373.452 4.687 0 50 FJAA Cc1ccc(Cn2c(NC(=O)c3ccc(C)cc3)nc3ccccc32)cc1 847447 GPQFNSLSAWJXEV-UHFFFAOYSA-N 355.441 4.954 0 50 FJAA COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1OC 849015 YFGHBVHPMAMDQM-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 1062078 XDYPWMUOAYVORX-UHFFFAOYSA-N 374.440 4.869 0 50 FJAA Cc1cc(Br)c(NC(=O)CSc2ccc(F)cc2)cc1C 1142066 FYJQNYIYCCVCET-UHFFFAOYSA-N 368.271 4.936 0 50 FJAA O=C(Nc1ccccc1Cl)c1cccc(NC(=O)c2cccs2)c1 1191941 CGXSTKMYQIZALN-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA Cc1cccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1C 1218331 XHGBDAWRVAFQFJ-UHFFFAOYSA-N 350.506 4.563 0 50 FJAA CCCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1OC 2314191 MNYYIAOLQDASMD-UHFFFAOYSA-N 367.489 4.726 0 50 FJAA Cc1ccc(C)c(OCn2ccc(C(=O)Nc3cccc(Cl)c3C)n2)c1 2800545 YYEIUDIOGGJUKW-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA CCOC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc2c1CCCC2 2849064 NFVATWSVWQHZCC-UHFFFAOYSA-N 357.475 4.673 0 50 FJAA Cc1ccc(C(C)C)c(OCCNC(=O)c2cc(F)c(F)cc2Cl)c1 2870142 BDXAQMDWFHTDAD-UHFFFAOYSA-N 367.823 4.859 0 50 FJAA Cc1ccc(-c2nc(CCNC(=O)c3ccc(C)c(C)c3)cs2)cc1 4570727 SEDIHLJROYHGKX-UHFFFAOYSA-N 350.487 4.708 0 50 FJAA COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2cccs2)n1 4757739 MAKFKZOEVLBWIU-UHFFFAOYSA-N 365.380 4.845 0 50 FJAA COc1ccc2cc(C(=O)[C@H]3CCCN(C4CCSCC4)C3)ccc2c1 12594566 JYALINLDCWIURE-IBGZPJMESA-N 369.530 4.639 0 50 FJAA Cc1ccccc1[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 55569073 USIBCNBUUCZPEZ-HSZRJFAPSA-N 372.447 4.798 0 50 FJAA CC(C)c1nc2ccc(NC(=O)N3CCO[C@H](c4ccco4)C3)cc2s1 123222505 RKTHQHVXSIRVLX-INIZCTEOSA-N 371.462 4.618 0 50 FJAA Cc1nc(-c2ccco2)ccc1C(=O)NCc1oc2ccc(F)cc2c1C 170616288 ONCFDNIGLQMARQ-UHFFFAOYSA-N 364.376 4.774 0 50 FJAA CC(C)(C)c1csc(CCNC(=O)c2scnc2C2CCCC2)n1 184713235 WTGWANVKTOITPR-UHFFFAOYSA-N 363.552 4.527 0 50 FJAA C[C@@H]1C[C@@H](C)CN(Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 229657441 ZBYJAJDJZJDFFS-JZKQVHKSSA-N 361.482 4.973 0 50 FJAA COc1ccc(CN(C(=O)c2ccco2)C2CCCC2)cc1OC(C)C 299800547 SYNWUBTYVLBMBA-UHFFFAOYSA-N 357.450 4.660 0 50 FJAA CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@@H](CC)c2ccccn2)cc1 426544449 QZSYZUNFFMFAFK-NRFANRHFSA-N 374.488 4.633 0 50 FJAA O=C(NCc1ccc(Cl)s1)c1ccc(-n2ccc3cccnc32)cc1 1875329668 CFZVISIXFTYAFU-UHFFFAOYSA-N 367.861 4.670 0 50 FJAA O=C(Nc1cnn(CC2CC2)c1)[C@H](CCc1ccccc1)c1ccccc1 1875338240 QNBCAUQOFWXFDI-JOCHJYFZSA-N 359.473 4.648 0 50 FJAA CCc1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Br)c1 676548 JNCSSOIFRIPTDD-UHFFFAOYSA-N 362.267 4.646 0 50 FJAA CC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 1230336 VZDXKGBNUGILCO-UHFFFAOYSA-N 359.381 4.507 0 50 FJAA Cc1c(-c2ccc(Br)cc2)nc2c(C)cccc2c1C(=O)O 2792878 GPQUAGRNEOCAJA-UHFFFAOYSA-N 356.219 4.979 0 50 FJAA Cn1c(-c2sccc2OCc2cccc(C(F)(F)F)c2)n[nH]c1=S 5753511 JGPSODNQURDKFU-UHFFFAOYSA-N 371.409 4.804 0 50 FJAA CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C 8602215 HZMPSIDYUYWIDR-UHFFFAOYSA-N 370.474 4.630 0 50 FJAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)CC1CCCC1 12707383 LTIUKMLGFMTDOR-UHFFFAOYSA-N 370.581 4.678 0 50 FJAA CCC[C@@H](C)c1nnc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)s1 20256643 AXUCKWYUAAFTAF-CHWSQXEVSA-N 362.474 4.602 0 50 FJAA C[C@@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 72421348 QQVUMPNOQFTHRE-KRWDZBQOSA-N 369.472 4.727 0 50 FJAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 72430474 WLRGMYYFGCJZNQ-HXUWFJFHSA-N 355.453 4.507 0 50 FJAA Cc1cc(C(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c(C)o1 221374309 XEUPYMMGGWALAR-JOCHJYFZSA-N 355.478 4.543 0 50 FJAA CC(C)Cc1ccc([C@@H](C)c2nc3nccc(-c4cccnc4)n3n2)cc1 253399461 CXWULKKRSCTAJB-MRXNPFEDSA-N 357.461 4.537 0 50 FJAA Cc1cc(C)c(-c2nccn2C2CCOCC2)cc1CN1CCC(C)CC1 1857726816 DLWACKKDKOCUNQ-UHFFFAOYSA-N 367.537 4.750 0 50 FJAA CCC(CC)c1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 937336 OAIOTIKLMPNSQO-LLVKDONJSA-N 367.902 4.810 0 50 FJAA CC1CCN(C(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)CC1 1072698 KWAFQBBNTOEXED-UHFFFAOYSA-N 366.505 4.663 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 1148999 FSEACNXWKPJDSW-LLVKDONJSA-N 354.233 4.716 0 50 FJAA Cc1ccccc1CSCc1nnc(S)n1-c1ccccc1Cl 6401725 UDCKXVYPTHFORY-UHFFFAOYSA-N 361.923 4.951 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 11874290 FHLGMVCRCMXFMI-HSZRJFAPSA-N 356.469 4.844 0 50 FJAA Clc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1Cl 13131448 IOUCPTPGGGJRIL-QWHCGFSZSA-N 351.262 4.793 0 50 FJAA FC(F)(F)Oc1cc(Br)cc(Br)c1Cl 15444505 IPQDWNHRSFLBRN-UHFFFAOYSA-N 354.347 4.764 0 50 FJAA Cc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C(C)C)cc1 16648717 ONZWTRSQOYKJRQ-UHFFFAOYSA-N 354.841 4.605 0 50 FJAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H](c2ccccc2)C1 82108446 SWYJLWFKZMGTEH-IBGZPJMESA-N 362.498 4.754 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)[nH]n2)s1 91974355 ASQURTNPXTVJST-UHFFFAOYSA-N 367.449 4.515 0 50 FJAA Cc1ccc2oc(C(=O)N3CCC[C@H](c4nccn4C(C)C)C3)c(C)c2c1 95367504 DEJMPUHSLCWZGY-KRWDZBQOSA-N 365.477 4.847 0 50 FJAA C[C@@H](NC(=O)CN1CCC[C@H]1c1cccs1)c1cc2ccccc2o1 239378298 ONSORQBBMPGHMI-ZBFHGGJFSA-N 354.475 4.509 0 50 FJAA Cc1nc2ccc(C(=O)N3CCC[C@@H](c4nc(C(C)C)cs4)C3)cc2o1 329994061 YZOSQVIYWHBFDX-OAHLLOKOSA-N 369.490 4.736 0 50 FJAA Cc1nc(NC(=O)c2cc(O)nc3ccccc23)cc(-c2ccccc2)c1C 1857717676 SHGQGVZSANUOPF-UHFFFAOYSA-N 369.424 4.872 0 50 FJAA Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(F)cc2)c2ccco2)cc1 637803 DZYITXMCRDTSGD-FQEVSTJZSA-N 372.417 4.515 0 50 FJAA CCOc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1 994667 MQMMLFQHZPDEBO-UHFFFAOYSA-N 369.424 4.948 0 50 FJAA COC(=O)c1sccc1NC(=O)c1sc2cccc(F)c2c1Cl 1054690 DRRLLIXXMXFEIG-UHFFFAOYSA-N 369.826 4.794 0 50 FJAA CCCOc1cccc(C(=O)Nc2sc(C(C)C)cc2C(=O)OC)c1 2102021 ONDXKIPLGYIFOS-UHFFFAOYSA-N 361.463 4.699 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3cccc(C)c3C)s2)cc1 2320830 CISXXQWFSXTDSC-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Cc1cc(OCn2ccc(C(=O)Nc3cccc(C)c3C)n2)ccc1Cl 2796583 YCALLGHFIHCOAN-UHFFFAOYSA-N 369.852 4.751 0 50 FJAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Oc3ccccc3)cc1)OC2=O 2890493 PZMYQJPTKLOLNI-YADHBBJMSA-N 365.429 4.539 0 50 FJAA CCCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 2893743 SSOGAYJZKRGNRQ-UHFFFAOYSA-N 358.913 4.841 0 50 FJAA COc1ccccc1C1=NN(C(=O)c2ccccc2C)[C@@H](c2ccco2)C1 5024051 LXOJEGWDEGGYGZ-LJQANCHMSA-N 360.413 4.588 0 50 FJAA CCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)on1 33269940 SEAWNENAJLYOTI-MRXNPFEDSA-N 371.824 4.523 0 50 FJAA COc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)c1 50676672 DUZJLOVGQQEZPF-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA O=C(c1ccc[nH]1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71751445 NGYAXUBANIXBDI-CQSZACIVSA-N 350.384 4.519 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C[C@@H]3CC=CCC3)C2)c(F)c1 216169919 XIOQELYSBBYAKV-HZPDHXFCSA-N 357.448 4.891 0 50 FJAA Cc1ccc(CNC2CCC(O)(c3ccccc3)CC2)c(N2CCCC2)c1 240407418 FMBPVGCBUQDDPK-UHFFFAOYSA-N 364.533 4.515 0 50 FJAA Cc1noc2ncc(NC(=O)[C@H](C)c3ccc(Cl)c(Cl)c3)cc12 471414958 FEFXZEWSOTUICY-MRVPVSSYSA-N 350.205 4.580 0 50 FJAA COc1cc(OC)c(OC)cc1N[C@@H](C)c1cccc(C(F)(F)F)c1 777700683 BUQCHODZSKLMSJ-NSHDSACASA-N 355.356 4.904 0 50 FJAA Cc1cc(F)ccc1N1CCC(N[C@@H](c2ncccc2C)C2CC2)CC1 1506402931 LCKOPQLPKUPZQW-JOCHJYFZSA-N 353.485 4.547 0 50 FJAA CC(C)c1cc(O)cc(CN[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)c1 1875344209 HEELDUYVJGTAAX-BIHRQFPBSA-N 365.517 4.989 0 50 FJAA COc1ccc(-n2cnc3nc(C)c(C(C)=O)c(-c4ccccc4)c32)cc1 759572 TYLOBLJBKTZZEK-UHFFFAOYSA-N 357.413 4.607 0 50 FJAA COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 995633 BCAUQVKHPXHGJU-UHFFFAOYSA-N 362.813 4.864 0 50 FJAA O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccc(Cl)c1 2305829 NVZQSWGCPBPFNA-UHFFFAOYSA-N 359.665 4.774 0 50 FJAA Cc1ccccc1CSc1nnc(NC(=O)c2ccc(F)cc2)s1 2844362 PWFMTQMUAUKUKG-UHFFFAOYSA-N 359.451 4.530 0 50 FJAA C[C@H](CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4981336 DTIZNRFBKSXDAV-QGZVFWFLSA-N 362.439 4.849 0 50 FJAA CC(C)C(=O)Nc1cccc(C(=O)N(Cc2ccccc2)c2ccccn2)c1 6023101 PSTWNODGJWCRPW-UHFFFAOYSA-N 373.456 4.523 0 50 FJAA COC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc2ccccc12 6640084 VZBJINDNFCJKIE-LJQANCHMSA-N 367.832 4.527 0 50 FJAA CCC[C@H](c1nccn1C)n1cnc(-c2ccccc2)c1-c1cccnc1 65404778 QWMUOXAQGPPDMB-LJQANCHMSA-N 357.461 4.735 0 50 FJAA COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(Cl)cccc2n1C 97546471 SQTXKYIOWUYIMR-CYBMUJFWSA-N 356.853 4.674 0 50 FJAA COCCN(Cc1ccsc1)C(=O)c1cc(C)nc2c(Cl)cccc12 215328819 ZEUUNUBTBDGNKY-UHFFFAOYSA-N 374.893 4.547 0 50 FJAA CCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2cnc3ccccc3c2)c1 299767886 XMOGBLDDTMMOOX-JOCHJYFZSA-N 374.484 4.933 0 50 FJAA CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2)s1 426443099 XKMZPXLYKZRVGL-JLSDUUJJSA-N 351.471 4.560 0 50 FJAA CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccc(CN2CCCC2)o1 952983962 SROLRDDJYYKXDG-UHFFFAOYSA-N 374.484 4.815 0 50 FJAA Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C1CCC1)C(F)(F)F 2325828980 XFJMMFQVSMSPIO-OAHLLOKOSA-N 356.775 4.657 0 50 FJAA COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 861659 OSWATXKLLRUPOC-UHFFFAOYSA-N 374.396 4.521 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1C(C)(C)C 951515 BZOCRRQNSJLWSS-UHFFFAOYSA-N 361.869 4.972 0 50 FJAA CSc1ccccc1NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 2856839 JVZDNPKSSCSPJD-UHFFFAOYSA-N 356.472 4.632 0 50 FJAA CCCCSc1nc(=O)c(C(c2ccccc2)c2ccccc2)c(O)[nH]1 9334999 CJKLSACDENASPL-UHFFFAOYSA-N 366.486 4.548 0 50 FJAA CCOc1ccc(NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 17073738 CJFPAPAXBQUPLC-UHFFFAOYSA-N 357.262 4.907 0 50 FJAA Cc1cc2cc(C(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)ccc2o1 72432799 PEIZXURAWLSWLM-SFHVURJKSA-N 363.392 4.734 0 50 FJAA CCCCn1ccnc1C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 91320660 MGGUJXAMNBVXJY-UHFFFAOYSA-N 353.510 4.826 0 50 FJAA COc1ccc(CN(Cc2cccc(Cl)c2)C(=O)[C@@H]2CC23CC3)cc1 97711636 ACGNYRWOWVARHG-IBGZPJMESA-N 355.865 4.678 0 50 FJAA CCCCNC(=O)OC[C@]12CO[C@@H](c3cccnc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 252695164 VUUHTGJJJVCBFX-AMVAKQTESA-N 372.509 4.514 0 50 FJAA biogenic O=C1CCCCc2cc(C(=O)N3CCCCC[C@@H]3c3ccncc3)ccc21 329513130 LHFQZIRAQLNQQA-OAQYLSRUSA-N 362.473 4.748 0 50 FJAA CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2ccc(F)c(F)c2)cc1 426420127 OGAMFWZQDLBSCZ-UHFFFAOYSA-N 372.459 4.578 0 50 FJAA Cc1cccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)c1 847208 FGZDGOSSTQHEBD-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc2ccccc2c1 1126391 FZQXNSJPUKFYMU-UHFFFAOYSA-N 361.426 4.621 0 50 FJAA O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Cl)cc(Cl)c1 1152226 RGHQAYQAKHPJHT-UHFFFAOYSA-N 352.246 4.601 0 50 FJAA Cc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)sc2c1 1181314 BNIUFQGMAAEZCV-UHFFFAOYSA-N 373.286 4.712 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 2354054 BXRHRYIEPSRYIT-UHFFFAOYSA-N 374.466 4.922 0 50 FJAA Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccc(Cl)cc1 3093704 WYUGTQGNPHRVKD-UHFFFAOYSA-N 362.658 4.597 0 50 FJAA CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1NS(C)(=O)=O 4772912 HTZJYYLUATWQCP-UHFFFAOYSA-N 355.544 4.951 0 50 FJAA Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 4891067 JWZMPNSJVIUPRU-FOCLMDBBSA-N 352.437 4.924 0 50 FJAA Cc1ccc2nc(NS(=O)(=O)c3ccc(CC(C)C)cc3)sc2c1 6553309 XVZBWEHDGFUKDO-UHFFFAOYSA-N 360.504 4.604 0 50 FJAA CCc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)s1 6710300 RKOFWCKWXBLGRL-UHFFFAOYSA-N 362.248 4.986 0 50 FJAA CCOc1ccccc1-c1csc(NC(=O)c2sc(C)nc2C)n1 7996307 WOWHNFYUDYVMLD-UHFFFAOYSA-N 359.476 4.534 0 50 FJAA CCCN(CC1CC1)C(=O)c1csc2nc(-c3ccc(CC)cc3)cn12 12301794 JDVKOHMBYOTJQU-UHFFFAOYSA-N 367.518 4.887 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C(C)(C)C)on1 16604989 PLWDBUHODZYPGO-UHFFFAOYSA-N 359.813 4.841 0 50 FJAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1c[nH]nc1-c1ccccc1 92064849 KLTTXZKLLDFYCV-HSZRJFAPSA-N 359.473 4.517 0 50 FJAA C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1 173853564 OPEPCMIHSPYEDA-GFCCVEGCSA-N 373.478 4.582 0 50 FJAA Cc1ccc(CN(C[C@@H](O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 642881153 BNRANURXPKRRKP-LJQANCHMSA-N 366.505 4.517 0 50 FJAA CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccccc1CN1CCCC1 823712707 ARNQDPZHUQDYEM-QFIPXVFZSA-N 368.521 4.749 0 50 FJAA Cc1cc(C(=O)N(Cc2ccc(C)s2)C2CC2)c2cc(F)ccc2n1 952979959 GMFCMIKKEWNZKV-UHFFFAOYSA-N 354.450 4.857 0 50 FJAA O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)OCc1ccccc1 641408 JNQYOPCQZVPOCL-NRFANRHFSA-N 374.440 4.580 0 50 FJAA in-vitro O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccco1 959590 BFWSWWLMZPCJPY-UHFFFAOYSA-N 366.756 4.926 0 50 FJAA CCSc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 1116187 GCTYMBJXIMDHOS-UHFFFAOYSA-N 369.471 4.526 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 1161229 HXHLVJPCDAOIQX-UHFFFAOYSA-N 358.869 4.981 0 50 FJAA Cc1ccc(O[C@@H](C)c2nc(-c3ccc(Br)o3)no2)cc1C 1421818 KVSVCPIFIHSMES-NSHDSACASA-N 363.211 4.849 0 50 FJAA CCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 2009937 SLCGUGMPSUYJAY-LBPRGKRZSA-N 366.244 4.592 0 50 FJAA in-vitro COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC[C@@H](C)C2 2904188 QJLYBHMQRHDGBP-LLVKDONJSA-N 369.442 4.658 0 50 FJAA Brc1ccccc1OCCCOc1cccc2cccnc12 2984232 YTYDVRITSVRLLK-UHFFFAOYSA-N 358.235 4.845 0 50 FJAA O=c1c(Oc2ccc(Cl)cc2)c(C(F)(F)F)oc2cc(O)ccc12 5522194 XXHVBLOKVVBUIM-UHFFFAOYSA-N 356.683 4.963 0 50 FJAA COc1ccccc1-c1cc2nc(C)cc(N[C@@H](C)c3ccccc3)n2n1 21150547 BTJSFMHEGHXKDG-INIZCTEOSA-N 358.445 4.886 0 50 FJAA COc1ccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 28291135 CISHFTOUWFNMEO-UHFFFAOYSA-N 352.821 4.591 0 50 FJAA Cc1ccc(C[C@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)cc1 100206951 XUASORJBXDBDGK-PQCJFMQRSA-N 365.517 4.519 0 50 FJAA COc1ccc2cc(-c3ncc(C(F)(F)F)cc3Cl)c(=O)oc2c1 221662654 QWOWVADFPWNWOF-UHFFFAOYSA-N 355.699 4.536 0 50 FJAA CC(C)Oc1ccc(CCC(=O)N2CCCC[C@H]2c2cccnc2)cc1 263585805 MUVKPAXUASLDNB-NRFANRHFSA-N 352.478 4.555 0 50 FJAA biogenic CN(CC[C@H]1CCc2ccccc21)C[C@@H](O)c1cccc(Br)c1 1460238530 QMTZLPHDIXWDLO-OXQOHEQNSA-N 374.322 4.534 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccccc3-c3ccccc3)C1)CC2 1704312852 ADLHVOPEYQNYDC-RUZDIDTESA-N 369.512 4.932 0 50 FJAA CC(=O)c1cc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cs1 1857736690 WSESJDDFCPCJJH-AZUAARDMSA-N 357.519 4.939 0 50 FJAA CC(C)n1cc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)cn1 2325820359 QLTBWGLNWXECKN-UHFFFAOYSA-N 366.292 4.666 0 50 FJAA C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Br)cc1 656963 BFOCQKCKZSTXLA-ATGUSINASA-N 358.279 4.600 0 50 FJAA O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1 703864 HPEGNPQGXXXQQM-IBGZPJMESA-N 367.452 4.605 0 50 FJAA Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)c1 1078886 DZESTXGEBCDQPT-UHFFFAOYSA-N 358.869 4.575 0 50 FJAA CC(C)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 1150763 FURVRZXEKKYVPO-UHFFFAOYSA-N 351.490 4.670 0 50 FJAA CCN(C(=O)Nc1ccc(Cl)cc1)c1nnc(-c2ccccc2)s1 1165476 LZXSYMNNDWYYKJ-UHFFFAOYSA-N 358.854 4.917 0 50 FJAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C)c(C)c1 1181549 DRBLZSXGSFPRNP-UHFFFAOYSA-N 364.470 4.592 0 50 FJAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 1183301 CSVFZVCDPSSYPZ-LBPRGKRZSA-N 368.458 4.779 0 50 FJAA CCCCCCN(CCCCCC)C(=O)c1nn(C)cc1Br 2782262 RNIPKSPXYQNCFI-UHFFFAOYSA-N 372.351 4.785 0 50 FJAA CC(C)CC(=O)N[C@@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2913752 VOYPJSYWOFJREE-LBPRGKRZSA-N 359.080 4.577 0 50 FJAA COc1cccc2c1O[C@@H](c1ccccc1)N1N=C(c3ccccc3)C[C@H]21 4281945 BTTJNNGGFUWDFS-OFNKIYASSA-N 356.425 4.938 0 50 FJAA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)c1 4593177 UYCYKBRZXGOMPH-VQTJNVASSA-N 365.429 4.701 0 50 FJAA CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1/C=C/c1ccccc1 4952210 ZNKNAXAEIQOUQG-ZRBDHRNVSA-N 360.457 4.645 0 50 FJAA COc1cccc(-c2cc3c(=O)n(-c4ccccc4)c(=S)[nH]c3s2)c1 5595696 ISDMPOJYBIUHNC-UHFFFAOYSA-N 366.467 4.785 0 50 FJAA O=C(NC[C@@H]1CCCN(C2CCCCC2)C1)C1(c2ccc(Cl)cc2)CC1 15077016 XXNGTJSEYIWZRC-KRWDZBQOSA-N 374.956 4.533 0 50 FJAA O=C(CC1CCOCC1)Nc1ccccc1SCc1ccccc1F 55309542 PESWULLLDPDHJY-UHFFFAOYSA-N 359.466 4.873 0 50 FJAA O=C(Nc1ccccc1CN1CCCCC1)N(Cc1ccsc1)C1CC1 95517482 LHRDKICZYJNXOD-UHFFFAOYSA-N 369.534 4.931 0 50 FJAA Fc1c(F)c(F)c2c(c1F)[C@@H]1CC[C@@H]2C=C1I 101048938 HILJQXZQYUOFET-RFZPGFLSSA-N 354.084 4.537 0 50 FJAA CCCn1nc(C)c(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c1C 189090968 PLMBJNUFWKMNGE-HNNXBMFYSA-N 362.543 4.631 0 50 FJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]12C)[C@@]1(C)CCCC[C@@H]1CC31OCCO1 257348008 ANVUQRJIXAVQDA-CSGHFTSRSA-N 360.538 4.977 0 50 FJAA Cc1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c2n[nH]cc2c1 328771965 AWKFXYIBAXRISG-CYBMUJFWSA-N 356.495 4.593 0 50 FJAA O=C(O[C@@H](c1ccc(Cl)cc1)c1cccnc1)C1SCCCS1 842304166 NJEJLCDIIWELSB-HNNXBMFYSA-N 365.907 4.564 0 50 FJAA CCOc1ccc(F)c(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1F 952832093 UKZNXLAESRNDCY-QGZVFWFLSA-N 350.409 4.572 0 50 FJAA COc1cccc2c(C)cc(N3CCC([C@H](O)c4cccs4)CC3)nc12 1506403275 STHQGSUNRMEEMC-NRFANRHFSA-N 368.502 4.563 0 50 FJAA CC(=O)N1c2ccccc2CCc2ccc(NC(=O)Cc3ccccc3)cc21 869973 AMVAQGHNNLUWQW-UHFFFAOYSA-N 370.452 4.651 0 50 FJAA biogenic O=C(CCCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 947799 WXUAXMBORGCNFF-UHFFFAOYSA-N 371.893 4.744 0 50 FJAA COC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 949358 WALIZJPVYYFWPK-LTGZKZEYSA-N 357.409 4.653 0 50 FJAA COc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)cc1OC 1108998 LVZVHQQZNOPMHS-UHFFFAOYSA-N 368.433 4.630 0 50 FJAA CCOc1ccccc1OCCOCCOc1cccc(C(F)(F)F)c1 2986902 YKZHYXQOIKWAAL-UHFFFAOYSA-N 370.367 4.579 0 50 FJAA CCOc1ccccc1OCCNC(=O)Nc1ccc(Cl)c(Cl)c1 4761612 KCPMOXNWYLRHGM-UHFFFAOYSA-N 369.248 4.593 0 50 FJAA Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c(Cl)c1 6736967 SYNSGKTVBWNKKR-UHFFFAOYSA-N 369.852 4.749 0 50 FJAA Cc1ccc(C)c(OCc2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)no2)c1 14964408 GMQUEABZCKOKFQ-HNNXBMFYSA-N 368.408 4.501 0 50 FJAA CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C2 100190263 KEXZTAHNMDJXFD-FVMDXXJSSA-N 359.775 4.693 0 50 FJAA Cc1cccc2c(C(=O)N3C[C@H]4CC[C@H]3C4)cc(-c3cnn(C(C)C)c3)nc12 102216161 FMAFPYCHRNCQLE-WMZOPIPTSA-N 374.488 4.612 0 50 FJAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 247439942 XCOBSMXYJUADIU-YXUGBTPSSA-N 356.368 4.561 0 50 FJAA Cc1ccc2c(C)cc(NC3CCN(Cc4cccnc4)CC3)nc2c1C 1529145490 AGRPHLPODMZNLU-UHFFFAOYSA-N 360.505 4.632 0 50 FJAA Cc1nn(Cc2ccc(C(=O)Nc3ccccc3F)cc2)c(C)c1Cl 1128493 YCQBTXLVGSRYCK-UHFFFAOYSA-N 357.816 4.593 0 50 FJAA Cc1cc(O)c(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1C 1180191 KRKAVJQKUPLTRJ-UHFFFAOYSA-N 354.233 4.642 0 50 FJAA OCC1(Cc2ccccc2)CCN(Cc2ccccc2C(F)(F)F)CC1 11772550 IBGLYSHAMXHPKN-UHFFFAOYSA-N 363.423 4.523 0 50 FJAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 14225116 MPEQGTZPPXWQHL-LBPRGKRZSA-N 373.396 4.900 0 50 FJAA CC(=O)c1ccc(-c2cccc(-c3ccn(Cc4cscn4)n3)c2)cc1 23338098 LCFIAAHGHJINFS-UHFFFAOYSA-N 359.454 4.925 0 50 FJAA COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 35476553 KHKLPUDDEOAGFD-CQSZACIVSA-N 364.854 4.557 0 50 FJAA O=C(NC1(c2cccc(Br)c2)CCC1)[C@@H]1CCCC(F)(F)C1 225692583 AYFZLJOIQDPGOR-GFCCVEGCSA-N 372.253 4.770 0 50 FJAA Clc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1Cl 239275112 BEZVXVHCCOVMBX-VQTJNVASSA-N 367.364 5.222 0 50 FJAA O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc2ccccc2oc1=O 253421788 WMASOLRWDPCXSE-LJQANCHMSA-N 367.832 4.718 0 50 FJAA CC[C@H](O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccnc(C)c3)cc2)cc1 426372172 GHXBSECKRRRFTM-QHCPKHFHSA-N 374.484 4.773 0 50 FJAA Cc1cc(C)cc([C@@H](OC(=O)[C@H]2Cc3ccc(F)cc32)C(F)(F)F)c1 1354437451 DIWWVECDUCYHOZ-DLBZAZTESA-N 352.327 4.929 0 50 FJAA Cc1occc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 688728 VHFRATUQJGEDJO-NSHDSACASA-N 361.463 4.592 0 50 FJAA O=C(Cc1c(F)cccc1Cl)Nc1nnc(C2CCCCC2)s1 692096 FXAICJGLKUVNMK-UHFFFAOYSA-N 353.850 4.560 0 50 FJAA Cc1cc(C)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 1115182 WKWFKFIJQKDNHJ-UHFFFAOYSA-N 361.555 4.680 0 50 FJAA CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3)ccc21 1842219 GBXZTRGLVLFROK-UHFFFAOYSA-N 350.443 4.615 0 50 FJAA CCN(CC)C(=S)SCC(=O)N1c2ccccc2C(C)=CC1(C)C 2991586 IUCQHDUCLYFKIX-UHFFFAOYSA-N 362.564 4.575 0 50 FJAA CCCCCC(=O)N[C@@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 3153153 WHXRKSBWHARVPL-CQSZACIVSA-N 351.705 4.800 0 50 FJAA COc1ccccc1/C=C/c1nn2c(-c3ccccc3Cl)nnc2s1 4361498 FCQGXCJSILWCFR-ZHACJKMWSA-N 368.849 4.685 0 50 FJAA COc1cc(-n2c(=S)[nH]c3ccc(C)cc3c2=O)c(Cl)cc1Cl 5626089 HNBBGSTWEMABFO-UHFFFAOYSA-N 367.257 4.672 0 50 FJAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC 35476483 BWMJXYHTVGMWKM-MRXNPFEDSA-N 360.841 4.726 0 50 FJAA COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 36351119 VZWRHZPWLPDJSL-GGAORHGYSA-N 356.425 4.938 0 50 FJAA Cc1ccc(Sc2scnc2S(=O)(=O)c2ccc(C)cc2)cc1 169580058 PKJBESITDIYZEO-UHFFFAOYSA-N 361.513 4.744 0 50 FJAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc(C(F)(F)F)ccc1Cl 215050585 AUKNRLSROKYNRV-SNVBAGLBSA-N 359.779 4.532 0 50 FJAA CCc1nc(N[C@@H](C)c2cc(OC)c(OC)cc2F)c2ccsc2n1 301812128 FDJRYQPZWXHMIG-JTQLQIEISA-N 361.442 4.583 0 50 FJAA CC1(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)CCCC1 952970665 LMFDGDIYUUDXSU-UHFFFAOYSA-N 350.462 4.777 0 50 FJAA O=C(c1ncn2cc(Cl)ccc12)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 2325755216 OXDRDHZMFHKVQQ-VBUUOAMHSA-N 365.864 4.539 0 50 FJAA COc1ccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 668544 NCCJENMRURYHEL-UHFFFAOYSA-N 364.426 4.623 0 50 FJAA COc1ccccc1Nc1nc(-c2cc3ccccc3oc2=O)cs1 1187303 QCSNPHHOGRAXBG-UHFFFAOYSA-N 350.399 4.669 0 50 FJAA COc1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(OC)cc1Cl 2881492 KEJNXPVRIWFLIO-GFCCVEGCSA-N 365.882 4.785 0 50 FJAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CC)cc2)cc1 2987018 LDGDPQZSAUDXJA-UHFFFAOYSA-N 356.491 4.555 0 50 FJAA Cc1ccc(C)c(NS(=O)(=O)c2ccc3cccc4c3c2CCC4)c1 2998767 UEGSORODKZCAFK-UHFFFAOYSA-N 351.471 4.746 0 50 FJAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 4632390 NMJUCCCUVVRRBA-GOSISDBHSA-N 367.836 4.542 0 50 FJAA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2C)CC(=O)N1 4913254 AVOQFDLDYOYADQ-LJQANCHMSA-N 355.478 4.529 0 50 FJAA O=[S@@](CCSc1nc2ccccc2s1)Cc1ccc(Cl)cc1 4978132 BDHSTLIHLRUAMP-JOCHJYFZSA-N 367.948 4.991 0 50 FJAA Clc1ccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 5395165 UOBUUUJLOVUUKP-UHFFFAOYSA-N 369.921 4.786 0 50 FJAA Cc1cc(S(=O)(=O)N2c3ccc(F)cc3CC[C@@H]2C)c(C)cc1Cl 6527745 QNHPAJSFXKGGCF-ZDUSSCGKSA-N 367.873 4.626 0 50 FJAA CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 8499226 XKFGQNMJUDEZCU-UHFFFAOYSA-N 368.502 4.677 0 50 FJAA Cc1c[nH]c(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 11663443 RJWSZHKGLWQSGM-FQEVSTJZSA-N 362.477 4.519 0 50 FJAA COC[C@@H](C)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 426509253 CJTJVRBNDJLVNP-MRXNPFEDSA-N 355.453 4.627 0 50 FJAA Cc1c(Cl)cccc1-c1cccc(C(=O)N2CCC[C@@H](CCN)C2)c1 426641499 JRQYTXFQORWFGW-INIZCTEOSA-N 356.897 4.516 0 50 FJAA CCOc1cc(C(=O)NCCC2=CCCCC2)cc(OCC)c1OCC 674339 GFVJSTPCFRUJJZ-UHFFFAOYSA-N 361.482 4.503 0 50 FJAA O=C(CSc1nc2ccccc2s1)Nc1ccc(F)c(Cl)c1 713440 OUXRRZWCYBXKET-UHFFFAOYSA-N 352.843 4.820 0 50 FJAA Cc1cc(=O)oc2cc(OCc3ccc(C(=O)c4ccccc4)cc3)ccc12 1441049 ABJFYWNCMZXUCM-UHFFFAOYSA-N 370.404 4.911 0 50 FJAA CCCCc1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 1929611 PYUGARBPSWFBRZ-JLHYYAGUSA-N 369.461 4.707 0 50 FJAA CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCC2 2510404 ZMMOHFDCRJBCLM-UHFFFAOYSA-N 369.442 4.720 0 50 FJAA Clc1cc(Cl)c(OCc2nc(-c3ccccn3)no2)cc1Cl 2849821 XLNZVICEBHDPRL-UHFFFAOYSA-N 356.596 4.671 0 50 FJAA Clc1cccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1 2875410 OFCRMIAUTUVZTF-UHFFFAOYSA-N 352.806 4.919 0 50 FJAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 2987073 SJCDIQUTQBFSMS-UHFFFAOYSA-N 362.882 4.646 0 50 FJAA CCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1 4803687 ZGPKCAAJRLRXJH-UHFFFAOYSA-N 361.463 4.583 0 50 FJAA CCCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2C)n1 4811122 ZHOSAJJSKGAAEB-UHFFFAOYSA-N 356.278 4.846 0 50 FJAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)Cc1ccc(Cl)cc1 9226498 WLLWPQNLQJEABQ-UHFFFAOYSA-N 368.820 4.675 0 50 FJAA CC[C@H](NC(=O)c1cccc(OCc2c(C)noc2C)c1)c1ccccc1 20617728 CAXJTAYIEBEMKG-NRFANRHFSA-N 364.445 4.752 0 50 FJAA CCCn1ccnc1CN1CCc2onc(-c3cccc4ccccc34)c2C1 67650151 ONZXQAUSECXXCJ-UHFFFAOYSA-N 372.472 4.660 0 50 FJAA C[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(-c2ccncc2)c1 151057796 QMSWWBRXPBVKSV-SFHVURJKSA-N 358.489 4.595 0 50 FJAA COc1ccccc1NC1CCN(Cc2ccc3nc(C)ccc3c2)CC1 170603047 YCRHBWSVZLOVDM-UHFFFAOYSA-N 361.489 4.628 0 50 FJAA c1ccc(CNc2ncc(CN3CCCCC[C@@H]3c3ccco3)cn2)cc1 820414161 KLNAHEQCHKEWCM-HXUWFJFHSA-N 362.477 4.799 0 50 FJAA C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)c1ccc(N2CCCCC2=O)cc1 850470814 JLYJYESOIPAPLU-HUUCEWRRSA-N 373.447 4.948 0 50 FJAA Cc1ccc(Oc2sc(C)nc2S(=O)(=O)c2ccc(C)cc2)cc1 1857800236 UMNCFAXRWSCFDC-UHFFFAOYSA-N 359.472 4.693 0 50 FJAA O=C(CC1CC=CC1)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 2325852455 GTYCLTYTSDRYDS-UHFFFAOYSA-N 353.369 4.519 0 50 FJAA COC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 636764 FFQNGHKUQRNMOO-UHFFFAOYSA-N 359.425 4.511 0 50 FJAA COc1ccc(C2(C(=O)Nc3ccc(Br)cc3)CCCC2)cc1 1109045 YPOCKBKPXKNHCJ-UHFFFAOYSA-N 374.278 4.908 0 50 FJAA biogenic CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 1194147 QNOHBLIWOSWHNG-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1OC(F)F 1255905 ZGJOWWJNOIFVNS-UHFFFAOYSA-N 362.159 4.856 0 50 FJAA CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3cccs3)c(C)s2)c1C 2845586 FLXHRQYHCUMKFV-UHFFFAOYSA-N 358.488 4.993 0 50 FJAA O=C(CSc1nc2ccccc2s1)NCC12CC3CC(CC(C3)C1)C2 4573526 RCMUCKIILZJSMO-UHFFFAOYSA-N 372.559 4.721 0 50 FJAA Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 5587760 KALHIECSEKGONP-GOSISDBHSA-N 352.478 4.525 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cccc2ncccc12 11873268 ZAQXCMKERFZMIV-OAQYLSRUSA-N 372.447 4.727 0 50 FJAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 14566712 BIOLDWZSHBYIQL-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA O=C(c1ccccc1)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95369155 FJJQSNWFKXWHKR-JOCHJYFZSA-N 374.528 4.561 0 50 FJAA COc1ccc(-c2n[nH]c3c(Br)cccc23)c2cccnc12 169794949 MBXMKEPIODUUIQ-UHFFFAOYSA-N 354.207 4.549 0 50 FJAA Cc1nc([C@H]2CCCN2C(=O)Nc2cc(F)ccc2OC(C)C)cs1 188848189 IDYDQKFKJDMFOG-MRXNPFEDSA-N 363.458 4.747 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 215203335 JHGLZVZDFQYUDN-UHFFFAOYSA-N 353.491 4.861 0 50 FJAA CCOc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)cc1 245236778 VSTUIVZSQLCSLN-MTSZKFMLSA-N 368.304 4.880 0 50 FJAA CC(C)(F)CN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 261508616 VICDCZVVZJLPQH-UHFFFAOYSA-N 350.478 4.961 0 50 FJAA COCC[C@H]1CCCCN1C(=O)c1ccc(-c2cc(F)ccc2OC)cc1 426514582 DNUAXIHDBIBWFS-LJQANCHMSA-N 371.452 4.533 0 50 FJAA CC[C@@]1(CO)CCCN(C(=O)c2cccc(-c3c(C)cccc3Cl)c2)C1 584895151 FASDLBGPPPJJDA-JOCHJYFZSA-N 371.908 4.940 0 50 FJAA Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CC[C@H]4CCC[C@H]43)cc2)o1 2325745368 LJWXOVNHWQMSPP-OXQOHEQNSA-N 373.456 4.727 0 50 FJAA CCc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1 704886 IUDWYMQRNKWAPX-KRWDZBQOSA-N 362.292 4.790 0 50 FJAA O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccs1 937342 GBNUIQGALPMSTO-UHFFFAOYSA-N 365.277 4.886 0 50 FJAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Br)c2)c1 940136 IPMWOGZSSNJUFL-UHFFFAOYSA-N 362.267 4.898 0 50 FJAA CC[C@]1(C)Cc2ccccc2-c2nc(SC)n(-c3ccccc3)c(=O)c21 1109719 ZJSCAVIPMRHQMJ-JOCHJYFZSA-N 362.498 4.845 0 50 FJAA Cc1cc(C)c(OCC(=O)Nc2ccc(Br)cc2)c(Cl)c1 1198089 SBODECBFFRGHHQ-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCCC)cc2)cc1 1777968 MKVUFBSKZXDLAZ-VGOFMYFVSA-N 367.445 4.694 0 50 FJAA CCCCCN(CCCCC)C(=O)[C@H](Cc1ccccc1)C(=O)OCC 4975502 BDUNNSJDSMOSCW-FQEVSTJZSA-N 361.526 4.617 0 50 FJAA COc1ccc(Cl)cc1NC(=S)NCCSc1ccc(C)cc1 8829905 VZAGUJDYNMRTEI-UHFFFAOYSA-N 366.939 4.736 0 50 FJAA CCN(Cc1ccncc1)C(=O)c1cccc(NCc2ccc(C)cc2)c1 55282024 WNCMNCKLIRDXJH-UHFFFAOYSA-N 359.473 4.664 0 50 FJAA Cc1nn2c(-c3ccc4c(c3)OCO4)ccnc2c1-c1cccc(Cl)c1 71375518 XQTAKYLMHPBYDC-UHFFFAOYSA-N 363.804 4.754 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 101710535 GNIXJMMCZSNWBX-AOLWHUPESA-N 358.869 4.858 0 50 FJAA Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccncc3Cl)s2)cc1 170646510 YWZITLBAVJDAJL-GFCCVEGCSA-N 371.893 4.966 0 50 FJAA C[C@@H]1CC[C@@H](N[C@H](C)C23C[C@H]4C[C@@H](CC(c5ccc(Cl)cc5)(C4)C2)C3)C1 239358440 NIBCJWVKZSSXQR-POCFZNSESA-N 371.996 6.345 0 50 FJAA Cc1cc(CN2CCC(C)CC2)c(C)c(CN2CC(c3ccccn3)C2)c1 252509133 YCWLPAGQGFHNMQ-UHFFFAOYSA-N 363.549 4.530 0 50 FJAA C[C@@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)c1ccc(O)c(F)c1 584898615 UGZOHNNIZFISHT-OAHLLOKOSA-N 371.456 4.532 0 50 FJAA C[C@H](N[C@H](C)C[C@H](O)c1cccs1)c1ccc(-c2ccncc2)cc1 763415954 SSOHJQTYAOZBLG-GUXCAODWSA-N 352.503 4.973 0 50 FJAA C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ccc(N2CCCCC2=O)cc1 850470813 JLYJYESOIPAPLU-GJZGRUSLSA-N 373.447 4.948 0 50 FJAA CN(Cc1cc(-c2ccccn2)no1)Cc1ccc(C(F)(F)F)cc1F 1529101675 KZDNOZJEHGJRDZ-UHFFFAOYSA-N 365.330 4.527 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 1165429 RZESNNJOWUKLSV-UHFFFAOYSA-N 373.412 4.929 0 50 FJAA CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21 3784077 SZWKGOZKRMMLAJ-UHFFFAOYSA-N 351.446 4.986 0 50 FJAA biogenic,in-vitro O=C(c1cccn1-c1ccc(OC(F)(F)F)cc1)C(Cl)(Cl)Cl 4050295 WEJDMTDMUHXLRR-UHFFFAOYSA-N 372.557 4.929 0 50 FJAA c1ccc(CC2CCN(CCOCCSc3ccccc3)CC2)cc1 4832267 YANCLFSJXMTEAA-UHFFFAOYSA-N 355.547 4.750 0 50 FJAA CCOC(=O)Nc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 4842286 HTZXPGVBYBVULN-UHFFFAOYSA-N 364.854 4.883 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 11874291 FHLGMVCRCMXFMI-QHCPKHFHSA-N 356.469 4.844 0 50 FJAA CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13330125 DWXNGYWKJGBUKG-IBGZPJMESA-N 359.878 4.923 0 50 FJAA CCCOc1ccc(Br)cc1/C=C1\SC(=S)N=C1O 16192635 LURQNTVVJXUOPT-XFFZJAGNSA-N 358.282 4.567 0 50 FJAA CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1 22241585 FYKUBXHNWXEGMV-UHFFFAOYSA-N 353.451 4.542 0 50 FJAA COCCN(Cc1sccc1C)Cc1nc2ccccc2n1C(C)C 67880790 LJWSTAWMDHHRCC-UHFFFAOYSA-N 357.523 4.636 0 50 FJAA Cc1cc(CNC(=O)[C@@H](C)n2ccnc2)c2[nH]c(-c3ccccc3)c(C)c2c1 71752723 NYPMDOLIOJKTJS-QGZVFWFLSA-N 372.472 4.526 0 50 FJAA CC[C@@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 71769307 OKARETPOLGJSFX-WOJBJXKFSA-N 363.423 4.825 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)N(C)[C@H](C)c1cc(-c2ccccc2)[nH]n1 91624773 KTFNXPORGIWATK-CQSZACIVSA-N 368.506 4.798 0 50 FJAA COCc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCc3c(Cl)cccc32)o1 162880290 WZFNVTKAMRLYNC-ZWKOTPCHSA-N 374.868 4.613 0 50 FJAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@@H]32)c1 239425826 VHTCQRPKUANPBY-GAOSQQNJSA-N 355.478 4.971 0 50 FJAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(OC)c(Cl)c1 252487946 IFKBJBIUZPDBAZ-UHFFFAOYSA-N 357.841 4.884 0 50 FJAA COc1ccc(Oc2ccc(C(=O)N(C)[C@@H](C)c3cccnc3)cc2)cc1 1506417725 BIGBWYMPVGDRKB-INIZCTEOSA-N 362.429 4.716 0 50 FJAA FCCCCCN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704299267 HDCTZRAGGHYZLP-QFIPXVFZSA-N 353.485 4.563 0 50 FJAA CC(C)(C)c1cc(=NCC2C3CC4CC(C3)CC2C4)[nH]c(C(C)(C)C)n1 1875357549 LJEUCHHFNUVDHP-UHFFFAOYSA-N 355.570 4.978 0 50 FJAA C=CC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1875374982 MRUVAABTGMDMML-UHFFFAOYSA-N 359.248 4.850 0 50 FJAA O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 634241 JRQIETYGSZLPII-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1C[C@@H]1c1ccccc1 2739121 IQVVOUAPHKYSMH-CHWSQXEVSA-N 373.275 4.801 0 50 FJAA Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N=C3O)cc2)c1 2916818 NQAYUVYBFMZBOQ-XNTDXEJSSA-N 355.440 4.543 0 50 FJAA CCCCc1nc2ccccc2c(NC(=O)CNC(C)(C)C)c1CCC 3077639 DPJQPCHHONUUML-UHFFFAOYSA-N 355.526 4.857 0 50 FJAA COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1 3893193 XAUPVHSAPIALPD-NRFANRHFSA-N 356.425 4.687 0 50 FJAA CCOc1ccccc1[C@H]1CC(=O)Nc2[nH]nc(-c3ccc(Cl)cc3)c21 5799694 LDJJJGHZLJIWLQ-OAHLLOKOSA-N 367.836 4.603 0 50 FJAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccc(F)cc3)oc2C)c1 11951812 IPJOAMGCVZRPJZ-AWEZNQCLSA-N 354.425 4.991 0 50 FJAA OCC1(Cc2ccccc2)CCN(Cc2ccc(-c3ccco3)cc2)CC1 13593830 YJPMPMSZUDFZST-UHFFFAOYSA-N 361.485 4.764 0 50 FJAA OCC1(Cc2ccccc2)CCN(Cc2cccc(-c3ccco3)c2)CC1 67804637 IGGJWVKJIASAIE-UHFFFAOYSA-N 361.485 4.764 0 50 FJAA CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c1 71749819 DRPLKLPIOUAVID-SFHVURJKSA-N 356.485 4.867 0 50 FJAA Cc1noc(-c2ccccc2)c1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 190653281 GYZRHEXBPMZOAQ-AWEZNQCLSA-N 366.383 4.701 0 50 FJAA CCCCC[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C=C(C)[C@H]1C(=O)OC 239339278 LXYPHJSHOAJKFP-BHIYHBOVSA-N 359.466 4.939 0 50 FJAA biogenic CCN(C(=O)c1ccc(-c2ccc(F)cc2C)cc1)[C@H]1CCCC[C@@H]1O 1565510513 PEABCSSDFQCGIF-SFTDATJTSA-N 355.453 4.567 0 50 FJAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(C(F)(F)F)c1 1875252224 XTAKQVXPECUASQ-UHFFFAOYSA-N 374.362 4.641 0 50 FJAA Cc1ccc(Cl)cc1C(=O)NCCc1nc(-c2ccccc2)oc1C 2325702159 JEADUJYOBBTVGJ-UHFFFAOYSA-N 354.837 4.584 0 50 FJAA CCOc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 946453 PQJSTNDCSHVFLC-UHFFFAOYSA-N 361.191 4.747 0 50 FJAA biogenic COc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(OC)c1 957059 GTPNHROSCLGRGI-VQHVLOKHSA-N 352.217 4.663 0 50 FJAA CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1 1125820 QNYOFRSZLVUJGB-QGZVFWFLSA-N 371.893 4.616 0 50 FJAA Cc1ccccc1CSCC(=O)Nc1ccc(Br)cc1 1186018 NJYXZQWTKNVETM-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C)c1 4803157 PQRWTBRUONYZRG-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA CC[C@@H](Sc1cc(C)c2cccc(OC)c2n1)C(=O)Nc1nccs1 11907484 BOMFMBIORYUFEH-CQSZACIVSA-N 373.503 4.518 0 50 FJAA CN(Cc1ccon1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 12588705 HRASSAWLTOSGJX-UHFFFAOYSA-N 364.493 4.755 0 50 FJAA O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1cccnc1 16623741 ZDXNIQMTPKISAZ-FQEVSTJZSA-N 350.849 4.573 0 50 FJAA COc1cc(/C=C2/SC(=S)N=C2O)ccc1OCc1cccc(C)c1 17076112 UBGAWDGZKJUEEE-LICLKQGHSA-N 371.483 4.912 0 50 FJAA CC(C)c1cc(C2CCN(Cc3coc(-c4ccccc4)n3)CC2)n[nH]1 67742694 QJQDAYMJKNALQL-UHFFFAOYSA-N 350.466 4.568 0 50 FJAA O=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@@H](N2CCCCC2)C1 95517833 DDNXLPPNEBFNTJ-OAHLLOKOSA-N 357.885 4.585 0 50 FJAA O=C(CO)Nc1cccc(NCc2ccc(-c3cccc(Cl)c3)s2)c1 129342592 XLLNGNBZTQRTAY-UHFFFAOYSA-N 372.877 4.611 0 50 FJAA CCC(CC)N(C(=O)NC[C@@](C)(O)c1ccco1)c1ccc(C)c(C)c1 225460387 ZMMLZEQOBMYTHH-OAQYLSRUSA-N 358.482 4.509 0 50 FJAA Cc1cc2c(NC(=O)N3CCCCC[C@@H]3c3ccco3)cccc2nn1 299757070 MAVRELBBNOISII-GOSISDBHSA-N 350.422 4.680 0 50 FJAA Cc1ccc([C@@H]2CCCCN2C(=O)Nc2c[nH]nc2-c2nccs2)cc1 333739352 QWLDEOGPLSJZPN-INIZCTEOSA-N 367.478 4.601 0 50 FJAA Oc1ccc(Cc2ccccc2)cc1-c1nc(-c2ccc3cc[nH]c3n2)no1 445585383 XMTOHFSHVADBCT-UHFFFAOYSA-N 368.396 4.576 0 50 FJAA C[C@@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccsc1 534655237 FEOGPTXGACWIQT-CYBMUJFWSA-N 355.463 4.540 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3c(C)sc4ccccc34)C1)CC2 1704325976 SHUHCPWIEVLTTE-QFIPXVFZSA-N 363.530 4.788 0 50 FJAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(C)C 630467 ICGUHIDSDSESRB-UHFFFAOYSA-N 366.413 4.581 0 50 FJAA biogenic Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1Cl 724545 ANWURJCALUKRHY-UHFFFAOYSA-N 362.882 4.562 0 50 FJAA COc1ccccc1CCNC(=O)c1sc2cccc(F)c2c1Cl 1054490 ZPNXBKYTZUWBOG-UHFFFAOYSA-N 363.841 4.675 0 50 FJAA Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 1159867 ORNAGKGGGXIBKW-UHFFFAOYSA-N 372.621 4.568 0 50 FJAA O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1Cl 1180128 SHJDWFJWZMEXRM-UHFFFAOYSA-N 350.230 4.764 0 50 FJAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1ccoc1)C2 15073074 IRBRNISXBBFHHB-UHFFFAOYSA-N 355.821 4.700 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccn2)c2ccc(C)c(C)c2n1 77485670 NLBWRKJMVKKPEG-OAQYLSRUSA-N 359.473 4.922 0 50 FJAA Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)o1 170634365 RFKMZJATXURYQJ-IBGZPJMESA-N 366.461 4.694 0 50 FJAA CC(C)c1ccc(C(=O)N(Cc2ccsc2)C2CCCCC2)c(=O)n1C 215305911 SJGPNSIONBABBE-UHFFFAOYSA-N 372.534 4.545 0 50 FJAA Nc1c2c(nc3oc(-c4ccccc4)cc13)C[C@H](c1ccccc1)CC2=O 253495620 KUGLBDPEDBPHDO-INIZCTEOSA-N 354.409 4.990 0 50 FJAA Cc1cccc([C@H]2CCCN(C(=O)c3ccc(-c4ccc(C)nn4)cc3)C2)c1 426651357 PBWVOYWFPUANJR-QFIPXVFZSA-N 371.484 4.780 0 50 FJAA CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2Cl)C1 464772951 JUNCLLZLBHYPGL-STQMWFEESA-N 361.338 4.538 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@H](C(C)C)O1 1529166865 BJOFBIUWPWKHLY-RTBURBONSA-N 370.493 4.706 0 50 FJAA Cc1cc(C)c([C@H](N)C(=O)NCc2ccc(Oc3ccccc3)cc2)c(C)c1 1875343004 CFFYNTYZBVSFQA-QHCPKHFHSA-N 374.484 4.720 0 50 FJAA CC(C)COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 857364 MMLNEPAYZJFITC-UHFFFAOYSA-N 351.490 4.963 0 50 FJAA CCCC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 867334 QPBRJLNYRUYCSF-JXFKEZNVSA-N 351.446 4.818 0 50 FJAA Cc1ccc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)o1 1002580 HSZXTNZSCDVKES-UHFFFAOYSA-N 359.429 4.855 0 50 FJAA CCOc1ccc(OCCOCCOc2ccc(Cl)cc2Cl)cc1 2984839 HVWMYCPLDIPPBF-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1 4622056 LRSFFDRYGFKPIL-UHFFFAOYSA-N 368.864 4.612 0 50 FJAA Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)oc2ccccc12 4749237 IGOYXKVJPYPSJH-UHFFFAOYSA-N 362.429 4.620 0 50 FJAA COc1ccccc1[C@H]1CCN(Cc2ncc[nH]2)c2ccc(C)cc2S1 12242043 QAFYVXAHALZFRP-LJQANCHMSA-N 365.502 4.970 0 50 FJAA COc1ccccc1CN1CCC(CN(Cc2ccco2)CC(C)C)CC1 12431252 JWXDOQUQARXBEQ-UHFFFAOYSA-N 370.537 4.658 0 50 FJAA c1ccc(-c2ccc(-c3noc4c3CN(Cc3cccnc3)CC4)cc2)cc1 67676297 LBTLLHPGLSAICQ-UHFFFAOYSA-N 367.452 4.962 0 50 FJAA Cc1[nH]c2c(c1C(=O)N1CCCC[C@@H]1CCc1cccs1)C(=O)CCC2 91677470 TZEMKGOBMRCPIR-OAHLLOKOSA-N 370.518 4.531 0 50 FJAA CC1=CC[C@H]2C(=O)N(c3ccc(Oc4cccc(C)c4C)cc3)C(=O)[C@H]2C1 100358112 YBMWWYBARGBULY-UXHICEINSA-N 361.441 4.941 0 50 FJAA COc1cccc(C2=NN(C(=O)c3ccsc3)[C@H](c3ccccc3)C2)c1 328597190 FNKZFBDUGZHOBQ-FQEVSTJZSA-N 362.454 4.748 0 50 FJAA CCCn1c(C)nc2cc(NC(=O)c3conc3-c3ccccc3)ccc21 952978823 CDJPWXHMOCREJB-UHFFFAOYSA-N 360.417 4.662 0 50 FJAA Cc1cc2cccc(C(=O)N3CCC4(CC3)OCCc3sccc34)c2o1 1704327727 HPJFGTGPGPFWLA-UHFFFAOYSA-N 367.470 4.507 0 50 FJAA CC[C@@H]1CCc2nc3sc(C(=O)c4cccc(OC)c4)c(N)c3cc2C1 662001 PRPWBCLGKXLFKU-GFCCVEGCSA-N 366.486 4.633 0 50 FJAA O=C(CSc1ccccn1)Nc1nc2c(ccc3ccccc32)s1 867372 ZYOAVDRSYXJCSD-UHFFFAOYSA-N 351.456 4.575 0 50 FJAA aggregator COC(=O)[C@@]1(C)CC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1(C)C 910521 PHFJOKJPCMCBQR-PIGZYNQJSA-N 358.265 4.547 0 50 FJAA O=C(COc1ccccc1Cl)NC(c1ccccc1)c1ccccc1 941974 KFKGDMQJVYIDDT-UHFFFAOYSA-N 351.833 4.625 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cc(Cl)c(Cl)cc1Cl 1115609 DYMCAIOHJYVQGI-NXEZZACHSA-N 350.673 4.815 0 50 FJAA CCc1ccc(NC(=O)CSCc2ccccc2Br)cc1 1138078 KDXNYYSDAFPBPR-UHFFFAOYSA-N 364.308 4.883 0 50 FJAA CCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 1208033 WSGMURQZPDBLDZ-UHFFFAOYSA-N 357.413 4.881 0 50 FJAA COc1ccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 2841357 BMJLGSYCQMQMGO-UHFFFAOYSA-N 372.376 4.688 0 50 FJAA biogenic O=c1c2ccccc2ncn1CCCOc1ccc(Cl)c2ccccc12 2863236 YHPQXXUIQLVYHS-UHFFFAOYSA-N 364.832 4.672 0 50 FJAA O=C(Nc1cccc(Cl)c1)OCCOc1ccccc1Br 2893380 UTXGAHQDVXSJTD-UHFFFAOYSA-N 370.630 4.730 0 50 FJAA CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 4761316 ZUQDVSSYDAZMDW-UHFFFAOYSA-N 352.312 4.526 0 50 FJAA CC(C)N(C[C@H](O)COc1c(Cl)cc(Cl)cc1Cl)C(C)C 4819286 KGZUHHYGUUKOAA-LBPRGKRZSA-N 354.705 4.505 0 50 FJAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NCc2ccsc2)C1 12455875 KQIOSOZPMKCJSN-SFHVURJKSA-N 355.482 4.876 0 50 FJAA CCCn1ncc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c1C 14972970 NGCKLWRBBJFDMQ-KRWDZBQOSA-N 373.928 4.658 0 50 FJAA COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC2 19608343 YBWZASUDKSNFAS-SFHVURJKSA-N 352.261 4.588 0 50 FJAA Cc1cc(NCc2cccnc2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217013 OLJPDWGUXPOOFO-UHFFFAOYSA-N 363.852 4.674 0 50 FJAA NCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 87612803 PQVLJKLTNMOGBT-UHFFFAOYSA-N 367.496 4.615 0 50 FJAA COc1cccc2ccc(N3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)nc12 96148580 MCHZLWAEXRYPSK-INIZCTEOSA-N 372.472 4.579 0 50 FJAA O=C(Nc1ccc2occc(=O)c2c1)N1CCCCC[C@H]1c1ccco1 96149734 QNOQMNCIDLZLQE-INIZCTEOSA-N 352.390 4.535 0 50 FJAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)c2ccccc21 285678454 PXWCOIPOKXCQPD-PBHICJAKSA-N 370.518 4.855 0 50 FJAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 329401415 YBOVWNXTANFMQD-KURKYZTESA-N 365.477 4.617 0 50 FJAA O=C1CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)c2ccccc2N1 334162303 LUTMLJHRGLATEJ-OAQYLSRUSA-N 374.465 4.505 0 50 FJAA Cc1sc(C)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C(=O)O 2325874549 QPMLRWRDNWKDIL-UHFFFAOYSA-N 372.273 4.642 0 50 FJAA Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2cc(C)ccc2O)cc1 636523 WYHSUVLZDYDTEB-NRFANRHFSA-N 357.409 4.593 0 50 FJAA COc1ccccc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 753071 XEPPGTHXQWRQOD-UHFFFAOYSA-N 374.156 4.729 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1 935608 BGVYKDXOVNNAOL-KRWDZBQOSA-N 359.425 4.962 0 50 FJAA CCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(Cl)cc1 937854 RXDXKJAWAYBELA-UHFFFAOYSA-N 363.866 4.902 0 50 FJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c(Cl)c2)c1 1141069 HJCIDWSOSBOUCK-UHFFFAOYSA-N 351.233 4.903 0 50 FJAA COCCOC(=O)c1c(C)oc2ccc(OCc3cccc(Cl)c3)cc12 1797715 MKPIFUCGQXPPER-UHFFFAOYSA-N 374.820 4.777 0 50 FJAA biogenic Cc1cc(C(F)(F)F)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 4881427 JUGLBUHXDYBUTC-UHFFFAOYSA-N 372.272 4.675 0 50 FJAA CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 5064624 CSNKADGTHLEWMD-CQSZACIVSA-N 363.280 4.598 0 50 FJAA c1ccc2cc(CN3CCN(Cc4c[nH]c5ccccc45)CC3)ccc2c1 19798700 NEOJMTXWWMBOAV-UHFFFAOYSA-N 355.485 4.639 0 50 FJAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCc3cc4cc(F)ccc4[nH]3)c2c1 91625503 DHGMVFJKKFECBN-UHFFFAOYSA-N 363.436 4.572 0 50 FJAA Cc1nc2cc(NC(=O)N3CCC[C@@H]3c3c(C)noc3C)ccc2s1 95521188 NSJUAUGOMSUXAO-OAHLLOKOSA-N 356.451 4.579 0 50 FJAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCc3cccs3)[nH]n2)o1 97324056 GEDDFCAQLWSKSW-HNNXBMFYSA-N 369.490 4.667 0 50 FJAA COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@@H]21 169685725 YFLQYSZRAXUPMR-UWJYYQICSA-N 364.376 4.670 0 50 FJAA COc1ccccc1Nc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 240897274 IRSXDKLZTIGLJO-UHFFFAOYSA-N 360.844 6.307 0 50 FJAA Cc1oc2ccc(NC(=O)N3CCC(Cc4cccnc4)CC3)cc2c1C 253393735 FSNOXPIBXUGDLU-UHFFFAOYSA-N 363.461 4.931 0 50 FJAA CCOC(=O)c1ccc2c(c1)nc(/C(Cl)=C/c1cccc(O)c1)n2CC 253426094 XZFDWYRTLCCBIO-WJDWOHSUSA-N 370.836 4.675 0 50 FJAA CC(=O)[C@H](Cc1ccc(F)cc1F)Sc1nc(C)nc2ccccc12 436123502 HPHSQTRECAOBAR-SFHVURJKSA-N 358.413 4.509 0 50 FJAA CCCN(Cc1cccc(OC)c1)C(=O)c1ccc2cccc(Cl)c2n1 952873881 PIOYDJMDPWQUEF-UHFFFAOYSA-N 368.864 4.949 0 50 FJAA C[C@@H]1CCCN1Cc1ccc(-c2ccc3c(c2)CN(C)C3=O)cc1Cl 1875243567 MQJDDLDUFNGKDG-CQSZACIVSA-N 354.881 4.577 0 50 FJAA COc1cc2ccc(NC(=O)N3C[C@@H]4CCCCC[C@@H]43)cc2cc1OC 1875267730 MAGHHBFPCKFDRJ-YJBOKZPZSA-N 354.450 4.653 0 50 FJAA CNc1ccc(C(=O)N[C@H](c2cccc(C)c2)c2cccc(Cl)c2)nc1 1875340661 MAYVIVJPHBSPBE-HXUWFJFHSA-N 365.864 4.605 0 50 FJAA Cn1c([C@H](O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 858199 FYHJKYCSVBKKTA-LJQANCHMSA-N 366.505 4.956 0 50 FJAA CC(C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 951038 SEJSEKUCJOGMNP-UHFFFAOYSA-N 354.233 4.798 0 50 FJAA CC1=CC(C)(C)N(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc21 1140489 HAYDJFOOTOCFMX-UHFFFAOYSA-N 363.486 4.884 0 50 FJAA COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 1144535 KOIAZDSLZBXIJD-UHFFFAOYSA-N 352.217 4.604 0 50 FJAA C(=C/CSc1nc2ccccc2[nH]1)\CSc1nc2ccccc2[nH]1 2816179 MFCQQRGPHHIQEG-AATRIKPKSA-N 352.488 4.880 0 50 FJAA COc1ccc(/C=C/CN2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)cc1 11706126 ZLBOONARBUCAMM-NKEDHYFDSA-N 371.427 4.582 0 50 FJAA Cc1oc(-c2ccoc2)nc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 19143414 DVXLAKNXUZPLEI-OAHLLOKOSA-N 363.417 4.764 0 50 FJAA C[C@@H]1CN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 20168442 PKOPFZIVQYDYGY-WOJBJXKFSA-N 367.533 4.891 0 50 FJAA CCn1ncc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c1C 20602782 IVANNLNEGZYMNN-UHFFFAOYSA-N 371.366 4.689 0 50 FJAA CC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 38823495 CXHBDLBUHRTUCX-UHFFFAOYSA-N 352.437 4.926 0 50 FJAA CC(C)C[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1 72151123 IWKIHKCVCIGGMA-GOSISDBHSA-N 364.497 4.615 0 50 FJAA CCCSc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 96026741 CNSQEJKRNADLNI-UHFFFAOYSA-N 370.562 4.562 0 50 FJAA C[Si](C)(c1ccccc1)c1c(Cl)c(Cl)nc(Cl)c1Cl 169816667 JZSSBJYOEBYEHG-UHFFFAOYSA-N 351.136 4.518 0 50 FJAA O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@@H](c1nccs1)C1CC1 176294638 SDOJVHQALSLNND-CQSZACIVSA-N 369.412 4.911 0 50 FJAA CN(C(=O)Nc1nc(C2CCOCC2)cs1)[C@H]1CCC[C@H]1C(C)(C)C 333582102 ABEXPSKBOVMHEU-ZBFHGGJFSA-N 365.543 4.716 0 50 FJAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@H](C3CCCCC3)C2=C1O 888089117 IVDULERFRRGFNW-IBGZPJMESA-N 363.461 4.560 0 50 FJAA O=C(N[C@@H]1CCC12CCCC2)c1ccc(C(F)(F)F)nc1C(F)(F)F 1875343644 PICXWFROLPGKOU-SNVBAGLBSA-N 366.305 4.572 0 50 FJAA CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cn3ccnc3)cc2)cc1 2325711036 IYYJJPZAMRXSSN-MDWZMJQESA-N 359.473 4.881 0 50 FJAA O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)cc1 631753 SMPSPOVMBILJPC-UHFFFAOYSA-N 353.834 4.969 0 50 FJAA COc1ccc2nc(NC(=O)c3c(-c4ccccc4)noc3C)sc2c1 679906 IMJHADKTFHDDDW-UHFFFAOYSA-N 365.414 4.521 0 50 FJAA CCc1ccc(OCc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 1255320 WEHRCNMYNHPYPA-UHFFFAOYSA-N 368.462 4.632 0 50 FJAA Cc1cc(NC(=S)NC2CCCCC2)nn1Cc1ccc(Cl)cc1 2851714 ZEYOXWZIRJUZQM-UHFFFAOYSA-N 362.930 4.512 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C 2886564 VHHLOVKDCBJKDY-UHFFFAOYSA-N 369.442 4.597 0 50 FJAA CCOC(=O)C[C@@H](NC(=O)[C@H](CC)c1ccccc1)c1ccccc1Cl 3627316 MDTSTNLXQUIDDV-VQIMIIECSA-N 373.880 4.644 0 50 FJAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)on1 3907713 GCLYWSUUDJNWGC-VXGBXAGGSA-N 363.255 4.507 0 50 FJAA O=C(Cc1cccs1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 5060132 QILDTPZPPUVYED-UHFFFAOYSA-N 361.426 4.646 0 50 FJAA Cc1cccc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)oc12 72163620 WFCZCSBOWCWMOX-GOSISDBHSA-N 352.409 4.597 0 50 FJAA Clc1ccc([C@H](NCc2ccc(Cn3ccnc3)cc2)C2CC2)cc1 180011526 KAOGYOMIMIKTEE-OAQYLSRUSA-N 351.881 4.826 0 50 FJAA COc1ccc(OC)c2c(C)cc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)nc12 206292332 ANHJIICVGKQGSC-QRQCRPRQSA-N 354.494 4.965 0 50 FJAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@H]1c1cccc(F)c1 242047874 VQTJVYGHBMFUCE-YTQUADARSA-N 362.489 4.514 0 50 FJAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCCC[C@H]1c1ccccn1 426487659 WWLQYDMICZTRPG-QFIPXVFZSA-N 358.441 4.822 0 50 FJAA CC(C)c1ccc(-c2ccc(C(=O)N(C)[C@H](C)c3nccs3)cc2)nn1 534588893 LCCZAZJJUKIXEO-CQSZACIVSA-N 366.490 4.557 0 50 FJAA CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 1456452138 YQRMHKNIEUGUJX-UHFFFAOYSA-N 355.438 4.894 0 50 FJAA O=C(C1CCC(C2CC2)CC1)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 1875334481 PGWBIQIKNZFLJP-OFLPRAFFSA-N 358.551 4.554 0 50 FJAA O=C(O)c1ccccc1C(=O)O[C@H](c1ccccc1)c1ccccc1Cl 638648 YKSUSBZFUCVFQJ-LJQANCHMSA-N 366.800 4.985 0 50 FJAA C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4)c23)C1 873230 TUXJXZIZFKUSTA-GFCCVEGCSA-N 369.515 4.547 0 50 FJAA CCCC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 938610 WRZCRAZVLWIKNU-UHFFFAOYSA-N 352.217 4.951 0 50 FJAA Cc1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1C 1160056 ODSNXMJZZXLLMC-UHFFFAOYSA-N 362.267 4.700 0 50 FJAA O=C(COc1ccc2ccccc2c1)Nc1ccc(OC(F)(F)F)cc1 1217587 OCUWLXQRLMBQCK-UHFFFAOYSA-N 361.319 4.756 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 1225487 QEPFVXUNYCSNJC-UHFFFAOYSA-N 364.275 4.529 0 50 FJAA biogenic OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1251729 MFEWNFVBWPABCX-UHFFFAOYSA-N 366.460 4.859 0 50 FJAA in-vitro CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(OC)cc1 2865551 KTGQEZPEDQUMBV-JXMROGBWSA-N 351.475 4.779 0 50 FJAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C1CCCCC1 4746737 TYOGYBXGIASPDS-UHFFFAOYSA-N 360.837 4.811 0 50 FJAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)O 4819269 RXFKOBCMGWVLOT-UHFFFAOYSA-N 370.257 4.564 0 50 FJAA Cc1ccc(-c2cc(C)nc(SCc3ccc(C(=O)O)cc3)n2)cc1 6690920 YYHABRPQBVSGIF-UHFFFAOYSA-N 350.443 4.751 0 50 FJAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccc(F)cc2F)c1C 8571152 IOEQRDZQMHFALX-UHFFFAOYSA-N 370.403 4.779 0 50 FJAA CCCc1cc(NCc2cccnc2)n2nc(C)c(-c3ccccc3)c2n1 12421708 MIJYWZVTJGOURL-UHFFFAOYSA-N 357.461 4.664 0 50 FJAA COc1ccccc1[C@@H](C)N(C)Cc1nc(Cc2ccccc2Cl)no1 15072083 FIDVKFSRCBFEAQ-CQSZACIVSA-N 371.868 4.515 0 50 FJAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)o1 19635468 NSXNENILHXSPOC-KRWDZBQOSA-N 374.912 4.550 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nn1 67613612 APSSFHJBZMTUMH-UHFFFAOYSA-N 372.350 4.800 0 50 FJAA Cc1cc2cc(NC(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)ccc2o1 96140246 XWYKCYHZMDNWQL-KRWDZBQOSA-N 363.461 4.731 0 50 FJAA COc1cccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 101082856 VNYBWRMYHKIZDW-QGZVFWFLSA-N 373.243 4.650 0 50 FJAA COc1cc(-c2nc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)c(C)o2)ccc1F 102072551 SWHSKXXLNUEBML-FIDQPZAXSA-N 370.468 4.808 0 50 FJAA Clc1ccc(CN(Cc2cccnc2)Cc2ccccn2)cc1Cl 328593630 PYCHBBQNBIFZMO-UHFFFAOYSA-N 358.272 4.986 0 50 FJAA CCN(CC)C[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)ccc2C)cc1 426546220 ONGOWQNQFBFEET-NRFANRHFSA-N 368.496 4.748 0 50 FJAA CCCN(CC)Cc1ccc(C(=O)NCc2ccc3ccoc3c2)cc1 2325735843 MDFHPSHNVPICKV-UHFFFAOYSA-N 350.462 4.595 0 50 FJAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 725239 JCJYUVIDWQBARB-QFIPXVFZSA-N 370.452 4.590 0 50 FJAA CC1(C)Cc2nc3sc4c(NC5CCCCC5)ncnc4c3cc2CO1 877745 XUHGRWFRNFJRMD-UHFFFAOYSA-N 368.506 4.835 0 50 FJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[C@@H](C)C1 1022050 NYFLTVFDBLJQAX-SNVBAGLBSA-N 353.249 4.829 0 50 FJAA Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 1173615 CWIMUMDBXYBYNF-CQSZACIVSA-N 370.518 4.559 0 50 FJAA CCOC(=O)c1cnc(SC)nc1Sc1cccc(C(F)(F)F)c1 1398551 RBBSUXUPIDSLTJ-UHFFFAOYSA-N 374.409 4.545 0 50 FJAA CCOc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2946802 SGXAUCAUQRTGPL-CVEARBPZSA-N 350.245 4.611 0 50 FJAA CCOc1ccccc1OCCOCCOc1cccc(Cl)c1Cl 2985599 UUPMPLJLABLHJC-UHFFFAOYSA-N 371.260 4.867 0 50 FJAA COc1cccc(-c2nc3cc(Cl)ccc3cc2CNC2CC2)c1OC 11790185 AMDQFQLUVZCVRM-UHFFFAOYSA-N 368.864 4.824 0 50 FJAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 11952353 KOSZOQJGZRXALI-CYBMUJFWSA-N 357.841 4.592 0 50 FJAA CCn1cc(CN2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)c(C)n1 14969033 JHOVHSYTIQFFQC-NRFANRHFSA-N 367.518 4.717 0 50 FJAA Clc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1Cl 19537439 DJYNFKKXAPSIKR-QPJJXVBHSA-N 361.316 4.824 0 50 FJAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)F)c12 20604258 HGMPTSBCMKZFIO-UHFFFAOYSA-N 371.366 4.515 0 50 FJAA COCCOc1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1 121248116 KMDYLGNWIPZWRO-UHFFFAOYSA-N 358.825 4.632 0 50 FJAA C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccn(C3CCCC3)n2)C2CC2)o1 130619291 XRCVGPXJAATXFB-KDOFPFPSSA-N 353.466 4.519 0 50 FJAA Cc1oc(-c2ccco2)nc1CN(Cc1ccc(F)cc1)C1CCOCC1 952845744 POTUQFBYBCZFGZ-UHFFFAOYSA-N 370.424 4.563 0 50 FJAA C[C@H](NCc1ccc2ccoc2c1)c1ccc(OC2CCOCC2)cc1 2325726345 CFRXAWXITMDUAF-INIZCTEOSA-N 351.446 4.841 0 50 FJAA CC(C)c1ccc([C@@H](O)COc2cccc(Oc3cnccn3)c2)cc1 2325742295 CLBORANVFJKFMB-FQEVSTJZSA-N 350.418 4.505 0 50 FJAA O=C1C[C@@H](c2cc3c(cc2Cl)OCO3)c2ccc3ccccc3c2N1 861057 DTNDSZZOGZGEBD-CQSZACIVSA-N 351.789 4.696 0 50 FJAA Oc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 1079823 XRCDDSUZCPRAKR-UHFFFAOYSA-N 368.440 4.532 0 50 FJAA COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C23CCCCC3)cc1 1080887 XYKRQYKVEDGQPJ-HXUWFJFHSA-N 351.446 4.742 0 50 FJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 1158444 AIQSAPOJYJMNDS-OAHLLOKOSA-N 357.866 4.986 0 50 FJAA O[C@@H](COc1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc21 1214001 CPLWIKTWSIDZHE-MRXNPFEDSA-N 351.833 4.888 0 50 FJAA COc1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)c2ccccc2)cc1 1446488 ILAYQYZWRGAKKC-UHFFFAOYSA-N 371.436 4.519 0 50 FJAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2cccs2)cc1Cl 15837551 NAWOWHUQXMOZFJ-ZDUSSCGKSA-N 366.870 4.788 0 50 FJAA CC(C)c1cc(=O)[nH]c(-c2ccc(CN(C)[C@H](C)c3cccs3)cc2)n1 19781674 SCQPAYRSIVMJPN-OAHLLOKOSA-N 367.518 4.815 0 50 FJAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1nc2c(C)cccc2s1 20607100 MACNGONDOHBSAD-UHFFFAOYSA-N 366.471 4.684 0 50 FJAA Cc1cccc(C)c1NC(=O)c1cccc(OCc2c(C)noc2C)c1 20617569 ASMQGVMNYXTYKJ-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA COc1ccccc1C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292543 UPRWNBBJDXNJBY-UHFFFAOYSA-N 370.811 4.730 0 50 FJAA COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 42995843 ZYGDKXLRUGCIFO-SFHVURJKSA-N 365.452 4.604 0 50 FJAA CCOc1ccc(CN(Cc2c(Cl)nc3sccn23)C2CC2)cc1 55401211 IZLHBFHWBLQFFN-UHFFFAOYSA-N 361.898 4.613 0 50 FJAA Cc1cc(NC(=O)c2c[nH]c3ccccc23)ccc1NC(=O)c1ccco1 56135425 PDFSQJWKRANDNZ-UHFFFAOYSA-N 359.385 4.574 0 50 FJAA Cc1nccn1CC[C@H]1CCCCN1Cc1ccc2cccc(Cl)c2n1 77393075 OHMXVHRQDSWSLY-LJQANCHMSA-N 368.912 4.838 0 50 FJAA Cn1nccc1[C@H]1CCCCN1c1nc2cc(C(F)(F)F)ccc2s1 225578591 PTOBKPBFLNMQCB-CQSZACIVSA-N 366.412 4.780 0 50 FJAA Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c(C)c1 239274585 AJTJBLIFAGTZAF-MTSZKFMLSA-N 366.332 5.406 0 50 FJAA CCCC[C@@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc(OC)cc1 253536879 IXWPAJYDTRRXHU-HXUWFJFHSA-N 364.445 4.610 0 50 FJAA Cc1nc(-c2cccc(C(=O)N3CC=C[C@@H]3C(C)C)c2)c2ccccc2n1 584889076 SSCQKLPCUFGSPZ-OAQYLSRUSA-N 357.457 4.642 0 50 FJAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1Br 673494 JENJKADQSLWEMV-LLVKDONJSA-N 368.658 4.817 0 50 FJAA COc1cccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c1 825294 BMOQUMVXQCFADP-OOMBGRCJSA-N 355.437 4.931 0 50 FJAA COc1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc(OC)c1OC 1063683 ZKHJDTKOUDJEAA-HNNXBMFYSA-N 371.477 4.653 0 50 FJAA Cc1cccc(N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)c1 1232924 FYLMRAZPGSTWDB-MRXNPFEDSA-N 371.695 4.842 0 50 FJAA COc1ccccc1OCCCOc1ccc(Cl)cc1Br 2984349 IJKDQCWTDBJXNT-UHFFFAOYSA-N 371.658 4.959 0 50 FJAA O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(Cl)cc1 4809883 CDDWBQRZJNGDGY-UHFFFAOYSA-N 356.853 4.655 0 50 FJAA O=C(NC[C@H]1CCCN(Cc2ccoc2)C1)c1ccc(-c2ccccc2)cc1 11817956 SRDWQUPMKLKIEU-LJQANCHMSA-N 374.484 4.589 0 50 FJAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(F)ccc1F 13325592 PSUGOPOLPSOWOE-UHFFFAOYSA-N 366.726 4.973 0 50 FJAA O=C(C1CCCC1)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 15074254 AYILSPZKGHOJJO-HXUWFJFHSA-N 374.956 4.591 0 50 FJAA CC(C)=CCC/C(C)=C/CN1CCc2[nH]nc(-c3c(C)noc3C)c2C1 19850660 JPCACRHFBJQKBI-OQLLNIDSSA-N 354.498 4.732 0 50 FJAA Cc1cc(C(=O)N(C)[C@@H](C)c2nc(C)sc2C)c2ccc(F)cc2n1 82161873 VRNSHXJGLFKYCH-NSHDSACASA-N 357.454 4.589 0 50 FJAA O=C(Nc1ccc(SC(F)F)nc1)c1cnc(-c2ccsc2)s1 120152753 CZSFLFDHNCYCIL-UHFFFAOYSA-N 369.443 4.834 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](COCc2ccccc2)C1 174486356 QOLPIZCQYPWNFF-KRWDZBQOSA-N 358.869 4.719 0 50 FJAA Cn1nc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)cc1-c1cccs1 220546657 WXTCGGUBRZPXPM-KRWDZBQOSA-N 369.465 4.655 0 50 FJAA C[C@H](NC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1)C1=CCCCC1 299760482 TWNYFJFVDQMNRZ-INIZCTEOSA-N 364.489 4.595 0 50 FJAA Cc1ncc(C(=O)N(Cc2ccc(C)s2)C2CC2)c(-c2ccccc2)n1 1506408390 XVYKQNNNYPLICC-UHFFFAOYSA-N 363.486 4.627 0 50 FJAA O=C(O[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(-c2nnco2)c1 2325741688 WYOBDEATEQPGCK-NRFANRHFSA-N 370.408 4.877 0 50 FJAA C[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1 636428 BCPJIXHWICFXNK-MRXNPFEDSA-N 373.431 4.715 0 50 FJAA CC(C)c1ccccc1NC(=O)c1ccccc1I 834164 KQKGUXZOTRHTKF-UHFFFAOYSA-N 365.214 4.667 0 50 FJAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)n1cnc2ccccc21 854734 XLXHKHIGWAHAJJ-UHFFFAOYSA-N 372.211 4.995 0 50 FJAA O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCc2ccccc21 1124574 NYDFUXHGSBEXAP-UHFFFAOYSA-N 370.474 4.631 0 50 FJAA CC(C)c1ccc(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1182122 XEJVQQLTBHAYBE-BOPFTXTBSA-N 356.878 4.726 0 50 FJAA COc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1Br 2259990 JSCXOSQKQNIMDT-UHFFFAOYSA-N 369.284 4.566 0 50 FJAA CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C 4100016 XVMYIMXBHZVAHC-YYLLSARXSA-N 369.505 4.647 0 50 FJAA Cc1oc(-c2ccsc2)nc1CN(C)Cc1nc2ccccc2s1 19608073 IWTNVZPDVBAVGS-UHFFFAOYSA-N 355.488 4.953 0 50 FJAA Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1CCCCc1ccccn1 67955868 VQEOXNHTPIQNQB-UHFFFAOYSA-N 371.488 4.975 0 50 FJAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 95529773 BBZMFGMDVCITGT-CQSZACIVSA-N 365.399 4.503 0 50 FJAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cc(C)ccc2C)cc1 426503513 NONSAGDMRZTEHN-QHCPKHFHSA-N 374.484 4.825 0 50 FJAA COc1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3c3ccccn3)c2)cn1 426641351 JBHWGSQQSOMDRN-OAQYLSRUSA-N 373.456 4.520 0 50 FJAA Cc1cc(CN(C)C(=O)c2cccc(-c3cnc(C(C)C)s3)c2)on1 534639347 LAIWAWNLRCIYTD-UHFFFAOYSA-N 355.463 4.502 0 50 FJAA COc1ccc(-c2c[n+]3c(n2-c2ccc(Cl)cc2)SCCC3)cc1 623887 OVADYTKRYOXOAU-UHFFFAOYSA-N 357.886 4.590 0 50 FJAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Br)cc1 629931 ACMFQOWGAGFFDY-UHFFFAOYSA-N 371.017 4.557 0 50 FJAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(OC)c1 940246 QHONGQDHWOATGC-UHFFFAOYSA-N 356.809 4.817 0 50 FJAA CC(C)C(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 987739 ZTVBQYNVOAVZOL-UHFFFAOYSA-N 372.468 4.801 0 50 FJAA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)NCc2ccccc2)c1 1054968 VVEKIGCZKGIDHT-QHCPKHFHSA-N 355.481 4.926 0 50 FJAA COc1ccccc1[C@H](CCN(Cc1ccccc1)C(C)=O)c1ccco1 1322142 LTDRKXAONKOYBC-NRFANRHFSA-N 363.457 4.859 0 50 FJAA biogenic CCCCNCc1cc(Br)c(OC2CCCC2)c(OC)c1 2891252 XIDROJXYFJREQL-UHFFFAOYSA-N 356.304 4.669 0 50 FJAA O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)cc1 4051003 OSLIUTRSFYCGNG-UHFFFAOYSA-N 355.821 4.570 0 50 FJAA Cc1ccc([C@@H](CC(=O)N[C@H](C)Cc2ccccc2)c2ccccc2)c(O)c1 4169944 MPLPNTXKJTUBEE-XXBNENTESA-N 373.496 4.970 0 50 FJAA CCn1ncc(Cl)c1C(=O)Nc1cc2oc3ccccc3c2cc1OC 4647181 QPNCDWQGTOXCCC-UHFFFAOYSA-N 369.808 4.717 0 50 FJAA CCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 4757567 HMICNAXGTDWKOM-UHFFFAOYSA-N 358.869 4.981 0 50 FJAA O=C(CCCC(=O)OCCCCCc1cccs1)Nc1ccccc1 4784575 VNSZBDNBJJMWMU-UHFFFAOYSA-N 359.491 4.813 0 50 FJAA Cc1ccc(NC(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 12203725 GPLHHUNEPMJIAZ-INIZCTEOSA-N 356.853 4.775 0 50 FJAA O=C(c1cn(C2CCCCCC2)nn1)N1CCC[C@H](c2ccccc2)CC1 12459797 QJQQNZOJWOWPBH-IBGZPJMESA-N 366.509 4.583 0 50 FJAA CC1(C)[C@H]2CC=C(CN3CCC(CO)(CCOc4ccccc4)CC3)[C@@H]1C2 12591774 MDVSSDSTUIFSDF-UNMCSNQZSA-N 369.549 4.522 0 50 FJAA CCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)on1 33269931 WKQIWEQXCGTUHM-INIZCTEOSA-N 371.824 4.523 0 50 FJAA 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 118915873 KHEZIAQMLFFOSK-HGZZVRFESA-N 358.522 4.942 0 50 FJAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(-c2cncnc2)cc1 426372391 VOFNGBPGDSKXBF-KRWDZBQOSA-N 359.473 4.630 0 50 FJAA CN(Cc1ncc[nH]1)C(=O)c1ccc(-c2ccc(OC(C)(C)C)cc2)cc1 426423788 VGEWEFWGDGSDPD-UHFFFAOYSA-N 363.461 4.526 0 50 FJAA CCc1ccc([C@@H](C)NC(=O)N(CCCO)Cc2ccc(Cl)cc2)cc1 426491373 FWFUSNQPNQMRGR-MRXNPFEDSA-N 374.912 4.558 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(Cl)c(Cl)c3)C1)CC2 1704299407 PFMODKZIVGNEEP-IBGZPJMESA-N 362.304 4.572 0 50 FJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[C@@H]1c1ccccc1 755100 NGPJRMALIRIVRY-UXHICEINSA-N 353.425 4.744 0 50 FJAA COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21 839816 ULYONBAOIMCNEH-HNNXBMFYSA-N 359.706 4.533 0 50 FJAA in-man O=C(/C=C/c1ccc(Br)cc1)NCCCCc1ccccc1 2084745 LFLCYPCZNMBBDF-SDNWHVSQSA-N 358.279 4.601 0 50 FJAA O=C(Nc1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1 2753453 ULCFWTSYWKMJAT-UHFFFAOYSA-N 353.421 4.714 0 50 FJAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3cc(F)ccc3F)CC2)c1 12242398 MGZJJEDJEGLYRS-UHFFFAOYSA-N 371.406 4.874 0 50 FJAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Br)ccn1 40448935 CNKRGILVFOHONI-UHFFFAOYSA-N 373.247 4.521 0 50 FJAA in-vitro CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCOC1CCN(C)CC1 65505868 JDPRPQKMTROARJ-LJQANCHMSA-N 369.553 4.955 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3CCn3ccnc3C)oc2c1 82134998 RTGVGDZYRBWQMS-SFHVURJKSA-N 365.477 4.640 0 50 FJAA O=C(Nc1cccc(-c2ccccc2)c1)N1CCCC2(CCOCC2)C1 95508612 YJQSYMNCAWGYQX-UHFFFAOYSA-N 350.462 4.778 0 50 FJAA C[C@H](NC(=O)Nc1ccc(Cn2ccnc2)cc1)c1ccc2ccccc2c1 151048668 KIRLFZGQYQTMJV-KRWDZBQOSA-N 370.456 4.967 0 50 FJAA Cc1nc(-c2ccncc2)nc(N2CC[C@H](C)[C@H](c3ccccc3)C2)c1C 1875359100 UIXJGLOCICUPFJ-HRAATJIYSA-N 358.489 4.785 0 50 FJAA COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C 670610 KAQBIQRGYIXHCD-UHFFFAOYSA-N 371.483 4.748 0 50 FJAA FC(F)(F)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 752296 LGIMBDTVMJFRMU-UHFFFAOYSA-N 354.803 4.681 0 50 FJAA COc1cc(Br)c(CNc2cc(C)ccc2C)cc1OC 851063 KSJPYCRXVRBJJX-UHFFFAOYSA-N 350.256 4.695 0 50 FJAA COc1ccc(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)cc1OC 853352 VSJZZGYSZUIAFS-UHFFFAOYSA-N 369.446 4.529 0 50 FJAA Cc1ccc(CSCC(=O)Nc2ccc(Br)c(C)c2)cc1 1110438 OSKIOVNEYGNFQW-UHFFFAOYSA-N 364.308 4.938 0 50 FJAA Cc1ccc(C(=O)[C@H](OC(=O)COc2ccccc2C)c2ccccc2)cc1 1164947 QHMMWOZHZQJXNV-XMMPIXPASA-N 374.436 4.850 0 50 FJAA aggregator O=C(Cc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 1207321 SQJUKJZGIZJWBS-UHFFFAOYSA-N 360.438 4.850 0 50 FJAA CCOc1ccc2nc(SCC(=O)N[C@H](C)c3ccccc3)sc2c1 1212186 ANOJDJNLPCXSJM-CYBMUJFWSA-N 372.515 4.665 0 50 FJAA CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 1530967 XBMIVRRWGCYBTQ-AVRDEDQJSA-N 353.506 4.655 0 50 FJAA world c1ccc(CNCC[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 1833886 DAQYQXCZLPUQGW-JOCHJYFZSA-N 359.469 4.922 0 50 FJAA biogenic CC(=O)c1cc(C(=O)Nc2ccccc2)n2cnc(-c3cccs3)cc12 2532672 SIKVONMBQDETGS-UHFFFAOYSA-N 361.426 4.518 0 50 FJAA CC(C)(C)c1ccc(OCC(=O)N2CCCCCC2)c(Br)c1 2848288 RXBLQAYKROWDQL-UHFFFAOYSA-N 368.315 4.528 0 50 FJAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2C(=O)CCCC(=O)O 4313935 IDXLBSTUJMLQJZ-FUHWJXTLSA-N 351.446 4.507 0 50 FJAA Cc1ccc(NC(=O)/C(=C\c2ccccc2F)NC(=O)c2ccccc2)cc1 4772662 CBEBBSBSIKLBRR-RCCKNPSSSA-N 374.415 4.544 0 50 FJAA CCCCOc1ccccc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 8673617 YCMSDQMGMAHFMT-INIZCTEOSA-N 374.278 4.906 0 50 FJAA CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2ccccc12)C(C)C 63848139 HNFAHAVFGVLZHK-UHFFFAOYSA-N 362.477 4.686 0 50 FJAA CC(C)c1csc(-c2c(-c3ccccc3)ncn2[C@@H](CO)C(C)C)n1 65488392 VFXMCJCCIXNNMA-KRWDZBQOSA-N 355.507 4.986 0 50 FJAA CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccccn2)cc1 65508424 SMNQXWYXPJZMCR-UHFFFAOYSA-N 368.440 4.619 0 50 FJAA O=C(NCc1cc(-c2ccco2)on1)c1ccc(-c2ccccc2Cl)o1 91665261 ZSZFOLOZYACRTB-UHFFFAOYSA-N 368.776 4.778 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)o1 238950469 YHUCPPGUICXRCA-RXVVDRJESA-N 364.832 5.484 0 50 FJAA CCCn1cnc2cc(NC(=O)N3CCCC[C@H]3c3nccs3)ccc21 299778949 PHBFCYLAOPAMNZ-KRWDZBQOSA-N 369.494 4.662 0 50 FJAA O=C(Nc1cccc2ncccc12)N1CCCC[C@H]1CCc1ccccn1 299789083 VQRDVVZSNLNHFB-SFHVURJKSA-N 360.461 4.649 0 50 FJAA Cc1nn(C)cc1[C@H](C)NC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 333562964 HIFTYMKESVNHKY-JXFKEZNVSA-N 366.509 4.507 0 50 FJAA Cc1cc(-n2ccnc2)ccc1C(=O)Nc1ccc(Oc2ccccn2)cc1 2325741780 NHZWONODQWPIRR-UHFFFAOYSA-N 370.412 4.620 0 50 FJAA COc1ccccc1-n1c(SCc2ccccc2)nc2ccccc2c1=O 642798 ABCBLYIBRYXWCE-UHFFFAOYSA-N 374.465 4.687 0 50 FJAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 1070931 DKVPIEAHFMJWSO-CQSZACIVSA-N 371.864 4.989 0 50 FJAA CCOc1ccc(Br)cc1NCCc1c[nH]c2ccccc12 1071106 ISUDZJQATDZQFN-UHFFFAOYSA-N 359.267 4.984 0 50 FJAA CC(C)=CCC[C@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccccc23)[C@]1(C)O 1444464 RTLURPZWLVMLPH-FCHUYYIVSA-N 370.493 4.685 0 50 FJAA CCCOc1ccc(-c2csc3ncn(CCC(C)C)c(=O)c23)cc1 1911990 AHKGHJICZXYMBQ-UHFFFAOYSA-N 356.491 4.960 0 50 FJAA COc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 2837084 WAHBZSBHKSFSGQ-UHFFFAOYSA-N 356.274 4.874 0 50 FJAA CCCCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 2856356 HRPYPUHKCPVVBP-UHFFFAOYSA-N 355.459 4.820 0 50 FJAA CCCSc1nnc2c(n1)O[C@@]1(CCC[C@@H](C)C1)Nc1ccccc1-2 2862672 LRFBDTDMGAHIHR-BFUOFWGJSA-N 356.495 4.751 0 50 FJAA CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 12138579 BQVJARBSPYFQDN-UHFFFAOYSA-N 365.260 4.728 0 50 FJAA O=C(CCCCCCCCC(=O)[C@H]1CCCCC1=O)[C@H]1CCCCC1=O 25627923 RAOXNINWQAFWNG-QZTJIDSGSA-N 362.510 4.764 0 50 FJAA CCc1ncc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccc(C)cc3n2)cn1 63881774 OAKCNYZGGHAGFP-MRXNPFEDSA-N 374.488 4.577 0 50 FJAA Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 333562983 HIFTYMKESVNHKY-OXQOHEQNSA-N 366.509 4.507 0 50 FJAA Cc1cccc(CCNC(=O)N(Cc2ccsc2)C2CCCCC2)n1 426470460 AEJTUIRKEACLJC-UHFFFAOYSA-N 357.523 4.539 0 50 FJAA Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1C(F)(F)F 438759737 ZOUKGFDXAKGJMB-UHFFFAOYSA-N 355.790 4.530 0 50 FJAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cccc(C(F)F)c2)no1 1875259552 PLALMERCEQNTQC-VIFPVBQESA-N 351.740 4.863 0 50 FJAA COc1ccc(-c2nc(=N[C@@H](c3ccc(F)c(C)c3)C3CC3)cc[nH]2)cc1 1875301818 RDDQCCRPOMWJAG-OAQYLSRUSA-N 363.436 4.585 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 670392 BSZAGWCZBWPHRI-LLVKDONJSA-N 352.217 4.602 0 50 FJAA O=C(OCc1ccccc1F)c1cccc(-c2nnc(-c3ccccc3)o2)c1 1074781 NILLZEAPTDCHGT-UHFFFAOYSA-N 374.371 4.900 0 50 FJAA O=C(CSCc1ccc(Cl)cc1)Nc1cccc(Br)c1 1173854 AAWFRKRJEZUDMH-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA O=C(CSCc1cccc(Br)c1)Nc1cccc(Cl)c1 1220276 GKEPMIRNMFPTCH-UHFFFAOYSA-N 370.699 4.974 0 50 FJAA COc1cccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c1 2558463 RLKYMOROLCZPKR-LBPRGKRZSA-N 358.507 4.742 0 50 FJAA C[C@H](SCc1ccccc1)C(=O)NCCSc1ccc(Cl)cc1 2985383 WVCHUUJKIDLXGA-AWEZNQCLSA-N 365.951 4.870 0 50 FJAA O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1cccs1 3894021 DCHJDDBRGABNQD-UHFFFAOYSA-N 352.440 4.774 0 50 FJAA Cc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 4980832 FTHDQEJSUJXSSY-UHFFFAOYSA-N 372.512 4.896 0 50 FJAA Cc1cccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2cccs2)c1 5074225 ARINZBAMQRNASB-FOWTUZBSSA-N 368.483 4.528 0 50 FJAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)cc1C 12318708 OMHBMDVMOJKCEU-OAQYLSRUSA-N 359.473 4.568 0 50 FJAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 12570500 MQCQUXZBFLXOID-OAHLLOKOSA-N 363.379 4.604 0 50 FJAA Cc1cc(=O)[nH]c(-c2ccccc2CN2CCC[C@@H](c3ccccc3)CC2)n1 20454387 ZCFPIWLMKNEWIN-HXUWFJFHSA-N 373.500 4.515 0 50 FJAA O=C(NCc1cccnc1Oc1ccccc1F)c1c(F)cccc1Cl 67789808 FZJZSLSVNAUGPJ-UHFFFAOYSA-N 374.774 4.736 0 50 FJAA Cn1cc(-c2nc3ccncc3[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 72407931 CFOVWGMMAJJKJT-UHFFFAOYSA-N 367.412 4.818 0 50 FJAA CCc1noc(C)c1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95519864 WJTXEBSKQRJOGL-UHFFFAOYSA-N 374.484 4.768 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1C 100648067 KUKBSHVJLPOOSH-LRGYGIHKSA-N 361.441 4.631 0 50 FJAA COc1cc(CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)ccc1O 135367105 BVQDYAWJXYNVJA-UHFFFAOYSA-N 371.820 4.586 0 50 FJAA COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc4cc(OC)ccc34)C2)cc1 253426144 FVVNJDQZLJZDEN-HSZRJFAPSA-N 374.440 4.555 0 50 FJAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)N1CCCC[C@@H]1CO 299793061 IGFQBXNGFZVDCC-MRXNPFEDSA-N 360.841 4.511 0 50 FJAA Cc1nc([C@@H]2CCCOC2)sc1-c1nc(-c2ccc(C(C)C)nc2)no1 366605950 UKTYLUQOLGKQDC-CQSZACIVSA-N 370.478 4.581 0 50 FJAA CO[C@@H]1Cc2ccc(NC(=O)N3CCc4ccccc4[C@@H]3C(C)C)cc2C1 752928001 BQURRVMWGMGICQ-IRLDBZIGSA-N 364.489 4.588 0 50 FJAA C[C@@H](Nc1ccc(N2C[C@@H]3CC[C@H](C2)O3)cc1)c1ccc(C(F)F)nc1 1875267217 PLOWQIIQAQTXNJ-XWIAVFTESA-N 359.420 4.560 0 50 FJAA CCc1ccc(-c2n[nH]c(SC[C@@H](Cc3ccc(F)cc3)OC)n2)cc1 1875279569 YPXHFLNAOIEMCC-GOSISDBHSA-N 371.481 4.523 0 50 FJAA CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)C(C)C)c2ccccc21 855962 NZUKXTSTQIFSJP-IIBYNOLFSA-N 350.462 4.562 0 50 FJAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1C 1109566 FAFOLIMKIWRETR-UHFFFAOYSA-N 359.473 4.782 0 50 FJAA Cc1ccc2[nH]c(C)c(/C=C3/N=C(c4ccccc4Cl)OC3=O)c2c1 1121391 WTMSLBUGRKMHKG-VCHYOVAHSA-N 350.805 4.783 0 50 FJAA O=C1S[C@H](Nc2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 1218953 VYYLWIDWTMQORS-IBGZPJMESA-N 360.438 4.992 0 50 FJAA CCc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 4754007 LIBKLMPRTJGLKH-UHFFFAOYSA-N 359.882 4.963 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 36620357 IKXVAIDZLYWJAN-IBGZPJMESA-N 352.434 4.541 0 50 FJAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1Cl 164012450 YIFKVQREBRTGFQ-CPLUKWAASA-N 367.876 4.831 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(C[C@@H]3CC=CCC3)C2)cc1F 216102333 UVADPZQJHLGRKV-WBVHZDCISA-N 357.448 4.891 0 50 FJAA COc1ccccc1C[C@H](C)NCc1nc(-c2ccccc2F)cs1 225636795 OJCXRZPZFHDHRO-AWEZNQCLSA-N 356.466 4.679 0 50 FJAA 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 229742621 FLJCISDPSGXWGJ-NFLIXYCQSA-N 369.505 4.891 0 50 FJAA biogenic CC[C@H](C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1c(C)noc1C 331078021 WLGONJFHXOLTLO-HIFRSBDPSA-N 363.527 4.893 0 50 FJAA O=C(c1scc2c1CCCC2)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1506407789 JYYBOPLJXLZEJZ-CQSZACIVSA-N 365.502 4.523 0 50 FJAA COc1ccc(-c2ccc(-c3nccn3CC[C@H]3CCCOC3)o2)cc1 1857674742 WLVSAHUWKOXSKR-MRXNPFEDSA-N 352.434 4.635 0 50 FJAA O=C(NC1CCCCCC1)c1ccc(C(=O)NC2CCCCCC2)cc1 756674 OPJSRFSJJWHRNJ-UHFFFAOYSA-N 356.510 4.592 0 50 FJAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(OC)cc1 940247 XDDYEFYGEWVURD-UHFFFAOYSA-N 356.809 4.817 0 50 FJAA COc1ccc(-c2c(C)oc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1 1135408 RTTWAUWEDSXLEG-UHFFFAOYSA-N 366.413 4.729 0 50 FJAA biogenic Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 1171894 JIFVDNQHFHQINZ-UHFFFAOYSA-N 362.882 4.562 0 50 FJAA CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=S)n(Cc3ccccc3)c(=O)c21 1251125 VGNHIGSPEPFABB-QFIPXVFZSA-N 362.498 4.845 0 50 FJAA Cc1cccc(Cl)c1OCCOCCOc1cccc2cccnc12 2994792 DMOQKSRZWLTBBI-UHFFFAOYSA-N 357.837 4.671 0 50 FJAA O=C(Nc1ccc(Cl)cc1)OCCOC(=O)Nc1ccc(Cl)cc1 3145587 NAYGSVBXDBRIBL-UHFFFAOYSA-N 369.204 4.791 0 50 FJAA biogenic COc1ccc(-c2cc(C(=O)N3CCCCC3)c3cccc(C)c3n2)cc1 5943113 YGOZQNQHRCIHMY-UHFFFAOYSA-N 360.457 4.845 0 50 FJAA O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1 9062792 CMZKQXVQZMRPNX-UHFFFAOYSA-N 362.395 4.556 0 50 FJAA CCC(=O)N1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 11817008 CTQOJFWQEJBMRH-UHFFFAOYSA-N 370.880 4.594 0 50 FJAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 14225114 MPEQGTZPPXWQHL-GFCCVEGCSA-N 373.396 4.900 0 50 FJAA Cc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1C 101203239 INABSEFWOIBJAV-KRWDZBQOSA-N 354.816 4.743 0 50 FJAA CCN(C(=O)c1cccc(-c2ccccc2SC)c1)[C@@H]1CCCC[C@H]1O 299789311 YWZLLNIDGPCKND-WOJBJXKFSA-N 369.530 4.841 0 50 FJAA Cc1cc(C)nc(CN(C)C(=O)c2ccc(-c3ccc(C)c(C)n3)cc2)c1 534673869 ISNLSVZAXJPUHR-UHFFFAOYSA-N 359.473 4.649 0 50 FJAA Cc1nc([C@@H](C)N(C)C(=O)NC2(c3ccccc3Cl)CC2)c(C)s1 584892351 LFQUGNJJPHAPJM-LLVKDONJSA-N 363.914 4.805 0 50 FJAA COC(=O)c1scc(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 1875320991 PYKYQUUUBCLFRC-UHFFFAOYSA-N 351.427 4.762 0 50 FJAA C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(Br)cc1 656960 BFOCQKCKZSTXLA-GOFCXVBSSA-N 358.279 4.600 0 50 FJAA O=C(Nc1ccccc1N1CCOCC1)c1sc2ccccc2c1Cl 792178 QNSXEXPZRCHNCW-UHFFFAOYSA-N 372.877 4.644 0 50 FJAA CCOc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1 876370 CKVCYEYKJNGASH-UHFFFAOYSA-N 352.459 4.673 0 50 FJAA CCSc1nnc(NC(=O)c2csc(C)c2-c2ccccc2)s1 1055367 IRHPQLQBBZUFRV-UHFFFAOYSA-N 361.517 4.939 0 50 FJAA COc1cc(OC)c(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl 1055734 QURAGLATVQAXGW-UHFFFAOYSA-N 372.808 4.573 0 50 FJAA Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1C 2361360 ZYYZCRIAMIMDHC-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA Cc1ccc(Cl)c(OCCOCCOc2cccc3cccnc23)c1 4701992 CEVLSNBZERMIPV-UHFFFAOYSA-N 357.837 4.671 0 50 FJAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 11874372 GYADGFRVILIPIL-GOSISDBHSA-N 364.514 4.985 0 50 FJAA O=C(Nc1ccccc1Br)N1CCC[C@@H]1c1cccs1 15837554 SZTQQDIBGSKKEE-CYBMUJFWSA-N 351.269 4.880 0 50 FJAA CC(=O)O[C@@]1(c2cccc3ccccc23)OC(=O)c2ccc3ccccc3c21 45068535 ZQIQHDLHDBJISG-DEOSSOPVSA-N 368.388 4.928 0 50 FJAA CCN(CC)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2c(C)c(C)ccc12 63834034 AZCOVNFZMMOSAY-UHFFFAOYSA-N 364.493 4.778 0 50 FJAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N3CCCC3)n2)C1 92078931 ZLKBVYPTXLJKEM-HXUWFJFHSA-N 361.555 4.618 0 50 FJAA CC[C@H](C)c1ccccc1OCC(=O)Nc1c[nH]nc1-c1ccccc1F 170618612 ZHNWLQMWBILLBE-AWEZNQCLSA-N 367.424 4.747 0 50 FJAA COCC[C@@H]1CCCCN1C(=O)Nc1ccc(/C=C/c2ccccn2)cc1 299757832 KDZNYXFVUHGEQW-MAIVGLDJSA-N 365.477 4.675 0 50 FJAA O=C(c1ccc(F)cc1)n1cnnc1SCc1cccc2ccccc12 974515 VWZSGTKFYUUFIZ-UHFFFAOYSA-N 363.417 4.551 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 1161292 JMNAXEJUHRPPLP-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA COc1cc(C=O)c(Br)cc1OCc1ccccc1Cl 1214539 IEMJSTFLHFURMA-UHFFFAOYSA-N 355.615 4.503 0 50 FJAA O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCc2ccccc21 2798585 NOJMKXWFXSFQFL-UHFFFAOYSA-N 359.212 4.851 0 50 FJAA CCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 2840517 HZENMULSNUEQBN-UHFFFAOYSA-N 353.443 4.553 0 50 FJAA Cc1nc2ccc(Br)cc2c(O)c1CN(C)C1CCCCC1 8714168 OATIEPZBKYUJSX-UHFFFAOYSA-N 363.299 4.776 0 50 FJAA Cc1oc(-c2cccs2)nc1CN1CCC[C@H](OCc2ccccc2)C1 11814224 PFUZYBKDIXMVPN-SFHVURJKSA-N 368.502 4.893 0 50 FJAA CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 12382611 RQFAAOWFWSWSCC-NTCAYCPXSA-N 364.489 4.774 0 50 FJAA CCOc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 55544067 OMCLQBONVZZJQK-UHFFFAOYSA-N 365.304 4.714 0 50 FJAA Cc1cc2cc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2o1 72481333 PWUXNVBUFJIXEG-INIZCTEOSA-N 359.429 4.637 0 50 FJAA in-vitro CCN(Cc1ccc(SC)cc1)C(=O)c1cc2cc(OC)ccc2n1C 91625823 SWNVZZPZISRWEC-UHFFFAOYSA-N 368.502 4.571 0 50 FJAA Cc1ccc(N2CCN(C(=O)Nc3cccc4nc(C)ccc34)[C@H](C)C2)cc1 96140222 QEJXEFMWWQCTKJ-GOSISDBHSA-N 374.488 4.594 0 50 FJAA Cc1cc([C@H]2CCCN(C(=O)c3cccc(N[C@H](C)C(C)C)c3C)C2)[nH]n1 225430507 OCOINZAAQCFAOV-MSOLQXFVSA-N 368.525 4.503 0 50 FJAA CC[C@@H](C(=O)Nc1c(-c2ccccc2OC)c(C)nn1C)c1ccccc1 1529102100 VXFNHXBMYCUZBJ-QGZVFWFLSA-N 363.461 4.536 0 50 FJAA c1ccc(CC(Cc2ccccc2)CN2CCOC[C@@H]2CC2CCC2)cc1 1875344252 ICUNTTPCFAIRIH-VWLOTQADSA-N 363.545 4.979 0 50 FJAA COc1ccc(CN(C)C(=O)Nc2cccc([C@@]3(C)CCO3)c2)cc1Cl 2325804103 VJWDDZRQXXTESV-HXUWFJFHSA-N 374.868 4.648 0 50 FJAA COC(=O)c1c(NC(=O)C2CCC2)sc(C)c1-c1ccc(C)cc1C 682601 ZKEACLIPWFVXIT-UHFFFAOYSA-N 357.475 4.866 0 50 FJAA O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1CCc1ccccc1 753084 HRRDPYZKIAHIQQ-KRWDZBQOSA-N 352.286 4.810 0 50 FJAA O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(Cl)c(Cl)c1 984142 KXQKZVLNUSUTFK-UHFFFAOYSA-N 364.253 4.856 0 50 FJAA CCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 1770622 QLOVNVHGXUPOSD-UHFFFAOYSA-N 369.461 4.703 0 50 FJAA CCn1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 2767546 IMUPCEYPHCBBCO-UHFFFAOYSA-N 357.866 4.960 0 50 FJAA CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 2871181 GHILPUCIAKQKCE-UHFFFAOYSA-N 355.484 4.876 0 50 FJAA O=C(Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1)C1CC1 2877914 QJFSHUMKKNMKRT-UHFFFAOYSA-N 360.788 4.755 0 50 FJAA COc1cccc(OCCOCCn2c3ccccc3c3ccccc32)c1 2989066 ATUBKUPPZCUZKJ-UHFFFAOYSA-N 361.441 4.899 0 50 FJAA COCCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)C(C)C 11934327 FCKNURCUGBRODR-UHFFFAOYSA-N 356.388 4.526 0 50 FJAA CC(C)=CCC[C@@H](C)CN1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 15062461 SOMOJDXMDHWBMT-GOSISDBHSA-N 374.573 4.887 0 50 FJAA CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 17118266 WBXGKUUECPTGHU-MJGOQNOKSA-N 371.278 4.975 0 50 FJAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1ccc(F)cc1 35476371 QQBDUVGSJVZJMF-GOSISDBHSA-N 354.356 4.597 0 50 FJAA CN(C)C(=O)CCCn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1 67895476 UDUSRGFQDFTXJJ-UHFFFAOYSA-N 372.472 4.567 0 50 FJAA COc1ccc2[nH]cc(C3CCN(C(=O)c4cccn4C(C)C)CC3)c2c1 138464504 AKEPYRFQMNSFJU-UHFFFAOYSA-N 365.477 4.579 0 50 FJAA CCc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)cc1 225567347 ISFOHBUHSHTNMF-GFCCVEGCSA-N 357.404 4.564 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 721769 WDKCSVJNOBPFKI-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA Cc1ccc(NC(=O)c2ccc(O[C@@H](C)C(=O)Nc3ccccc3)cc2)cc1 937737 IVICOAYINFILIG-KRWDZBQOSA-N 374.440 4.653 0 50 FJAA O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1Oc1ccccc1 947782 YNDVVQWKUAPBKF-UHFFFAOYSA-N 365.336 4.602 0 50 FJAA Cc1c(CC(Cl)(Cl)Cl)c2c(n1-c1cccnc1)CCCC2=O 1068164 CKUGMHGNCKDTKE-UHFFFAOYSA-N 357.668 4.612 0 50 FJAA O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1 1180196 NPOVEUSFKXFCEX-UHFFFAOYSA-N 366.642 4.704 0 50 FJAA O=Cc1cc(Br)ccc1OCCCOc1ccc(Cl)cc1 2877614 QGGKLIQOVICVDP-UHFFFAOYSA-N 369.642 4.763 0 50 FJAA CCCCCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 4159147 QJGXXJQJHQJBAJ-UHFFFAOYSA-N 369.461 4.831 0 50 FJAA CCCC[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 6204111 RZZXDYZWHUAOEK-HXUWFJFHSA-N 367.445 4.511 0 50 FJAA biogenic,in-vitro C[C@H](NC(=O)c1ccc2nc(Cc3ccccc3)oc2c1)c1ccccc1 8611414 IDQKEVANZICPIN-INIZCTEOSA-N 356.425 4.910 0 50 FJAA Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c(C)o1 12835660 NWCJCVRTXZTKLI-LJQANCHMSA-N 363.461 4.506 0 50 FJAA COC(=O)c1cccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c1 18067279 LPZSQDVZARJICN-UHFFFAOYSA-N 371.396 4.533 0 50 FJAA C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)C1SCCS1 43762242 YDAQKVWTWGRIQQ-SFNSOECISA-N 366.592 4.832 0 50 FJAA COc1ccc(/C=C/CN2CCc3onc(-c4ccccc4F)c3C2)cc1 67771755 NUEWCPRSPBDNRZ-SNAWJCMRSA-N 364.420 4.561 0 50 FJAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)CCC2=O 96180776 OCOFWJVEOVURDD-LJQANCHMSA-N 351.450 4.606 0 50 FJAA CCOC(=O)/C=C(/C)N1N=C(/C=C/c2ccccc2)C[C@@H]1c1ccccc1 103548058 LBVMKYMCFNYGIK-PFLGWDAISA-N 360.457 4.970 0 50 FJAA CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 452534413 ZHLAKFKHADGKJT-WBMJQRKESA-N 360.445 4.550 0 50 FJAA Cc1cc(NC(=O)c2ccc(C)n2C(F)F)ccc1NC(=O)C(C)(C)C 827617313 YFBHWKNEVKFFEQ-UHFFFAOYSA-N 363.408 4.737 0 50 FJAA CCCn1c(C)nc2cc(NC(=O)c3ccc([C@@H]4CCCO4)s3)ccc21 952983311 UBMYOCLDNRVQFK-KRWDZBQOSA-N 369.490 4.920 0 50 FJAA O=C(Nc1ccc2c(c1)OCO2)[C@@H](Sc1ccccc1)c1ccccc1 657512 UCEAPXNWLSHJSI-FQEVSTJZSA-N 363.438 4.887 0 50 FJAA O=C(CCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 671436 AWFFXHHISMXRDG-UHFFFAOYSA-N 351.233 4.741 0 50 FJAA Cc1ccccc1N[C@@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl 824902 MTFYKRYBPFVMLN-ZDUSSCGKSA-N 363.697 4.595 0 50 FJAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Br)cc1 972326 KUUICDIXVGLFJA-GFCCVEGCSA-N 350.281 4.710 0 50 FJAA Cc1cc2sc(NC(=O)COc3ccccc3Cl)nc2cc1Cl 1136952 CHMOQDPRNKMAPZ-UHFFFAOYSA-N 367.257 4.929 0 50 FJAA CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O 2062816 SLQATBVQXBHZEA-UHFFFAOYSA-N 365.429 4.533 0 50 FJAA O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC1CCCC1 2618419 FCYPIBOBAZYEHF-UHFFFAOYSA-N 369.515 4.509 0 50 FJAA Cc1cc(OCn2ccc(C(=O)Nc3ccc(F)cc3C)n2)ccc1Cl 2796444 NFMIARKTKYVPGU-UHFFFAOYSA-N 373.815 4.581 0 50 FJAA COCc1c(F)c(F)c(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(F)c1F 3612942 OOWCJRMYMAMSOH-CHWSQXEVSA-N 374.374 4.671 0 50 FJAA in-vitro CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1 12710203 AJQHTQDDBYSHEQ-LJQANCHMSA-N 371.443 4.607 0 50 FJAA CN(Cc1ccccc1)Cc1cccc(-c2nc(O)cc(C(F)(F)F)n2)c1 23311387 YXPLVPGFJXGMBW-UHFFFAOYSA-N 373.378 4.500 0 50 FJAA O=C(c1ccc(-c2ccncc2)nc1)N1CCC[C@H](c2ccccc2)CC1 71759355 BLPKKSODOUJFJB-IBGZPJMESA-N 357.457 4.554 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCC(c4ccncc4)CC3)c2c1 77337654 KROREFSURSVXSI-UHFFFAOYSA-N 359.473 4.520 0 50 FJAA CSc1ccccc1CN(C)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173554 BOJQGGSQIPSJRB-QFIPXVFZSA-N 374.509 4.934 0 50 FJAA CCCO[C@H]1CCCN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 120984146 PASPJLGGRVJXGD-SFHVURJKSA-N 371.481 4.771 0 50 FJAA COc1ccccc1-c1cc(CN=c2[nH]c3c(C)c(C)ccc3s2)on1 1875289983 CVCBILDKFQRNSG-UHFFFAOYSA-N 365.458 4.611 0 50 FJAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1OC 630369 ZZEOMPWZQNSVRU-UHFFFAOYSA-N 366.413 4.582 0 50 FJAA biogenic O=C(NC1CCCCCC1)c1ccccc1C(=O)NC1CCCCCC1 671910 RBSQOMRKFYNAQD-UHFFFAOYSA-N 356.510 4.592 0 50 FJAA CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3s2)cc1 827388 BQVUXZWOQKTXFL-UHFFFAOYSA-N 356.516 4.828 0 50 FJAA CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)c(Cl)c3)C(=O)[C@H]2C1 1181509 ROXLGCOETMJJBV-SJORKVTESA-N 367.832 4.978 0 50 FJAA CC(C)(C)OC(=O)n1cc(C=O)c2cccc(OCc3ccccc3)c21 2563727 SGLKQGCTNCPIAW-UHFFFAOYSA-N 351.402 4.816 0 50 FJAA COc1ccc(-c2c(C)nn3c(Nc4ccccc4)cc(C)nc23)cc1OC 5243402 BIPGDOIEJKNLQD-UHFFFAOYSA-N 374.444 4.774 0 50 FJAA O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(Cl)sc1Cl 119031423 CGGPFFVPJDJSDT-UHFFFAOYSA-N 356.209 4.632 0 50 FJAA CCc1ccc(-c2nc(COc3ccccc3NC(C)=O)cs2)cc1 123437088 KHEOEZPMMQKWLE-UHFFFAOYSA-N 352.459 4.910 0 50 FJAA Cc1c([C@@H](C)NC(=O)NC2CCN(C3CCCC3)CC2)oc2ccccc12 252483726 FHJKAYJYDQSGLW-MRXNPFEDSA-N 369.509 4.508 0 50 FJAA CC(C)(CNC(=O)c1cccc(Cl)c1F)c1coc(-c2ccccc2)n1 1875316338 KDPBFCKAVVXFOF-UHFFFAOYSA-N 372.827 4.842 0 50 FJAA CC(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1NCC(F)(F)F 1875357682 QVQZVIIBIRGIAE-TZMCWYRMSA-N 362.823 4.869 0 50 FJAA CC(C)(C)O[C@@H]1C[C@H](CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1(C)C 1875404956 FQJWQHPPFNGNQC-PNCHPQGNSA-N 357.538 4.700 0 50 FJAA O=C(O)CCc1ccc2c(c1)CCN(CC[C@@H](c1ccccc1)C(F)F)C2 2325777363 ZJGUQKVBHNYCGG-FQEVSTJZSA-N 373.443 4.501 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)N1CCC(CN(CC)CC)CC1 2325863056 SWPDHTLXEYAGFW-UHFFFAOYSA-N 370.537 4.969 0 50 FJAA COc1ccc(NC(=O)c2csc(C)c2-c2ccccc2)cc1OC 1054917 LVQDDIZQKJXRDJ-UHFFFAOYSA-N 353.443 4.993 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 1182430 KCUFUYFCQUOIMA-UHFFFAOYSA-N 364.832 4.774 0 50 FJAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c1 2053692 FTNIDRXPWUDXPF-UHFFFAOYSA-N 364.470 4.755 0 50 FJAA CCCCCOc1ccc(-c2cc(C(=O)OC)n(-c3ccccc3)n2)cc1 2506168 KZWULIXBFKYAJU-UHFFFAOYSA-N 364.445 4.895 0 50 FJAA CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3ccccn3)sc2c1 2882898 XTNZOGVDXDFJEA-AWEZNQCLSA-N 373.503 4.599 0 50 FJAA C[C@H](CN(C)CCc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 3080593 IRQLUPGLMPPWEH-GJZUVCINSA-N 373.540 4.928 0 50 FJAA O=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 5234709 HYCURGRMACLMFH-UHFFFAOYSA-N 352.242 4.947 0 50 FJAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[C@@H](Nc2ccccc2)C1 11662472 PDBHGPRXOQUBNM-LJQANCHMSA-N 373.500 4.763 0 50 FJAA CCN(CC)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12 63846908 LPOZWXLVNDFLHK-UHFFFAOYSA-N 362.477 4.606 0 50 FJAA CCc1nc(Cn2cnc(-c3ccccc3)c2-c2ccc(C)cc2OC)no1 65408179 LZVKVNZEFIONIY-UHFFFAOYSA-N 374.444 4.528 0 50 FJAA Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C1=O 101665052 OQFDXTVYNVACPP-HZVDNRATSA-N 367.876 4.831 0 50 FJAA C[C@H](O)[C@H](C)O[C@@H]1CCC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4C3=CC[C@@H]12 257347682 QGCRIKQJTFPYSZ-ODBXRYMVSA-N 360.538 4.673 0 50 FJAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)c2ccccc21 285678455 PXWCOIPOKXCQPD-RHSMWYFYSA-N 370.518 4.855 0 50 FJAA CC[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 333028672 LNTQWFXQBHLQLF-XVSDVWIESA-N 358.507 4.501 0 50 FJAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)o1 682363 BQJLMLIHDLKHDI-UHFFFAOYSA-N 368.536 4.967 0 50 FJAA CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[C@@H](C)C2 943486 XAKPQEHSKQQWKB-IEZBTEQYSA-N 369.486 4.702 0 50 FJAA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(Cl)c1 1135288 WRRDAEDHWPUQGT-UHFFFAOYSA-N 364.832 4.522 0 50 FJAA COc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 2369588 IJESIJSJZNTUNP-UHFFFAOYSA-N 352.397 4.620 0 50 FJAA Cc1nn(C)c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c12 2740906 JCHFBYRFWOGLFW-UHFFFAOYSA-N 357.282 4.564 0 50 FJAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)c1C 12472836 BGLOMNWLUSIFIN-HNNXBMFYSA-N 367.880 4.562 0 50 FJAA Cc1oc(-c2ccc(F)cc2)nc1CN(C)Cc1nc2ccccc2o1 20996741 LKWVJWVOHAHTCP-UHFFFAOYSA-N 351.381 4.562 0 50 FJAA Fc1cccc([C@@H]2CCCCCN2Cc2cn(-c3ccccc3)nn2)c1 72161018 WYHRVLRPUNWJOW-NRFANRHFSA-N 350.441 4.524 0 50 FJAA C[C@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 72421349 QQVUMPNOQFTHRE-QGZVFWFLSA-N 369.472 4.727 0 50 FJAA CCCCC[C@@](C)(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 170602181 LFMZIXIOWMHUQQ-JOCHJYFZSA-N 373.541 4.796 0 50 FJAA O=C(CCCc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1ncc[nH]1 185117114 VWEGAFHAEMHBEY-MRXNPFEDSA-N 365.399 4.505 0 50 FJAA C[C@@H](C(=O)NCc1ccsc1Br)c1cc2ccccc2o1 225756976 RUFVNKLJZTZVSB-SNVBAGLBSA-N 364.264 4.677 0 50 FJAA c1cc(NCc2cccc3c2CCOC3)cc(-c2ncc3n2CCCC3)c1 1875334527 SOZZHXYEDBVASZ-UHFFFAOYSA-N 359.473 4.571 0 50 FJAA COc1cc(NCCC(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 732276 FVPIAQQZLWIVNH-UHFFFAOYSA-N 354.233 4.696 0 50 FJAA CCN(CC)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 951934 VGUNMMSZDBAPPY-UHFFFAOYSA-N 371.282 4.982 0 50 FJAA Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)sc1-c1ccccc1 1054292 UECPOVFRZNSHMG-UHFFFAOYSA-N 369.393 4.846 0 50 FJAA COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)c(C)c2)o1 1083457 FLFVDESDZCGZHE-UHFFFAOYSA-N 351.402 4.736 0 50 FJAA COc1ccc(Br)cc1C(=O)Nc1ccc(F)c(Cl)c1 1158774 IYFNWGZUZZRSOF-UHFFFAOYSA-N 358.594 4.503 0 50 FJAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1209706 KMRLDHDRGLGFKA-HNNXBMFYSA-N 357.413 4.636 0 50 FJAA COc1cccc2cc(-c3csc(Nc4cccc(C)c4)n3)c(=O)oc12 1308524 PJSNMICFSBBQGQ-UHFFFAOYSA-N 364.426 4.977 0 50 FJAA Cc1ccc(N(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 2725711 FGOUGLHORCBQAF-UHFFFAOYSA-N 359.381 4.541 0 50 FJAA COc1ccc(CCC(=O)Nc2ccccc2Br)cc1Cl 4542186 VLWLOVIZMQDVRB-UHFFFAOYSA-N 368.658 4.682 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 4806320 ZNHBWRSMVMIORE-XFHNUULXSA-N 369.436 4.720 0 50 FJAA COc1ccccc1OCCCCN1CCC(Cc2ccccc2)CC1 4845122 LYQHDQAPCSANQM-UHFFFAOYSA-N 353.506 4.809 0 50 FJAA Cc1nn2c(C(F)(F)F)cc(-c3ccncc3)nc2c1-c1ccccc1 4988633 DNCJTNXEQOACAQ-UHFFFAOYSA-N 354.335 4.786 0 50 FJAA Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1F 8083509 XFYKHQVOQIYDTM-UHFFFAOYSA-N 354.381 4.570 0 50 FJAA Cc1c(O)nc(-c2cccc(CN3CCCCCC3)c2)nc1C(F)(F)F 19147577 AYPMIVNHRXCBGC-UHFFFAOYSA-N 365.399 4.552 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc(F)cc3F)C2)cc1 19300285 JYZIYSDUIJRZFQ-MRXNPFEDSA-N 371.406 4.874 0 50 FJAA Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H]3c3nc(C(C)C)no3)c2)o1 82115654 XVBZICYUSXFKHS-QGZVFWFLSA-N 365.433 4.739 0 50 FJAA C[Si](C)(C)[C@@H]1[C@H]2C=C3[C@H]4CC[C@@H](C4)[C@@]3(C2)[C@H]1S(=O)(=O)c1ccccc1 257356509 IPPGWCQMHJIQOR-ZWSGINEHSA-N 372.606 4.914 0 50 FJAA C[C@@H](c1nc(C2CC2)no1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 329383176 RAIPSVKOUOSURL-LBPRGKRZSA-N 354.429 4.508 0 50 FJAA Cc1ccc(NC(=O)c2cc(C)n(-c3ccon3)c2C)cc1C(F)(F)F 1440740762 SQPQRQZMGIXYQI-UHFFFAOYSA-N 363.339 4.662 0 50 FJAA c1ccc([C@H]2CN(CCCOC[C@@H]3CCCCO3)Cc3ccccc32)cc1 1875259818 VDEATESWLKGUBL-LADGPHEKSA-N 365.517 4.610 0 50 FJAA O=C(Nc1cnc2ccccc2c1)c1coc2c(Br)cccc12 1875337943 JTXOJJVDBUIQPF-UHFFFAOYSA-N 367.202 4.996 0 50 FJAA COc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1Br 670396 ZLPXENSCSHUPFT-UHFFFAOYSA-N 357.203 4.830 0 50 FJAA Cc1ccc(C(=O)c2sc3nc(-c4cccnc4)ccc3c2N)c(C)c1 755629 YXEFDWKBWBJVIV-UHFFFAOYSA-N 359.454 4.788 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C 951232 DYFPDBKDKVADAO-UHFFFAOYSA-N 352.478 4.620 0 50 FJAA Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 1061361 DDQGDSHFQJYSNI-UHFFFAOYSA-N 367.449 4.630 0 50 FJAA CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(Br)cc1 1065351 CAIYVQATLHFILK-AWEZNQCLSA-N 365.267 4.593 0 50 FJAA S=C(Nc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1075445 FQNYDKCUGGKJAT-UHFFFAOYSA-N 366.317 4.512 0 50 FJAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 1131273 RUSOYIPXLZXXQL-JKSUJKDBSA-N 370.518 4.643 0 50 FJAA COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 1212074 BHQQXTFTUJSCAO-UHFFFAOYSA-N 360.624 4.673 0 50 FJAA COc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1886719 KLSCOGZUFGCAAR-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA CCCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OCC)c1 2752255 KSPXQHALJKULBU-UHFFFAOYSA-N 361.463 4.528 0 50 FJAA COC(=O)c1cn(C(=O)[C@@H](C)Sc2ccc(C)cc2)c2ccccc12 2881400 XENNIJVXUZDBTO-CQSZACIVSA-N 353.443 4.557 0 50 FJAA CN(C)c1ccc(C2=NN(c3ccc(C=O)cc3)[C@H](c3ccccc3)C2)cc1 4737685 DLIZRVPRKOSFIO-DEOSSOPVSA-N 369.468 4.921 0 50 FJAA CC(=O)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 4843041 LWPPURCYHWCIEZ-UHFFFAOYSA-N 357.715 4.536 0 50 FJAA CSc1ccccc1NC(=O)c1nnn(-c2cc(Cl)ccc2C)c1C 8022469 FOSPTRCRLSXVMK-UHFFFAOYSA-N 372.881 4.512 0 50 FJAA Cc1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 28293502 QPSITBUDFHPPIS-UHFFFAOYSA-N 366.848 4.656 0 50 FJAA FC(F)(F)c1ccnc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 72133357 IVAXHORYHMUWSV-UHFFFAOYSA-N 369.350 4.651 0 50 FJAA Fc1cccc(Cn2cc(C(=S)N3CCCCC3)c3ccccc32)c1 637342 QKDWKWRBDUXRAP-UHFFFAOYSA-N 352.478 4.990 0 50 FJAA aggregator Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc(Cl)cc2s1 997342 VGODCHNLSDUJQT-UHFFFAOYSA-N 367.257 4.929 0 50 FJAA Cc1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C 1114416 LOXAXFOWLLEUPW-OUKQBFOZSA-N 360.413 4.801 0 50 FJAA Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CCC3 1176612 YPOXBNDTBJYXIG-UHFFFAOYSA-N 356.516 4.745 0 50 FJAA COc1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 1183812 JXJUSDKOVJTJIM-UHFFFAOYSA-N 350.399 4.669 0 50 FJAA CC(C)=CCC[C@@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccccc23)[C@@]1(C)O 1444461 RTLURPZWLVMLPH-YADHBBJMSA-N 370.493 4.685 0 50 FJAA Cc1ccccc1CSCCNC(=O)[C@@H](C)SCc1ccccc1 2814666 PJDVRPLCKVCGHS-QGZVFWFLSA-N 359.560 4.666 0 50 FJAA CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@H](C)C2 4457492 NSZHXXMZDOZFMR-LBPRGKRZSA-N 374.531 4.859 0 50 FJAA Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc2C)cc1C 5601763 QKSJPOPQAUFSEZ-HZPDHXFCSA-N 372.490 4.565 0 50 FJAA Cc1ccccc1CN(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 12441823 PBWRWHBGAONDMV-XMMPIXPASA-N 370.581 4.631 0 50 FJAA O=C(NC(=S)Nc1ccccc1Cl)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 15799948 CJUVUNJSNQMCAC-LHYKLLTFSA-N 362.926 4.760 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(COc3cc(C)ccc3C)s2)cc1 17138577 KFZRMEAAICSFFK-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA Cc1cnc(C)c(-c2cccc(-c3ccn(CCCC(F)(F)F)n3)c2)n1 23251305 VPZQMRYXEKOZTM-UHFFFAOYSA-N 360.383 4.966 0 50 FJAA O=C(c1cccnc1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71762465 RSYWUXYJUBKCQY-OAHLLOKOSA-N 362.395 4.585 0 50 FJAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 100978484 JNSHLLYGGNDDOC-OYUDYFSCSA-N 367.832 4.668 0 50 FJAA O=C(NCC1(c2ccc(F)cc2F)CCCC1)c1ccc2cc[nH]c2c1 1467257493 LNWZZYAGEDFAIT-UHFFFAOYSA-N 354.400 4.688 0 50 FJAA CC(C)(C)O[C@@H]1C[C@@H](CNC(=O)[C@]2(c3ccccc3)CC2(C)C)C1(C)C 1875404957 FQJWQHPPFNGNQC-YZZKKUAISA-N 357.538 4.700 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1I 675376 XGJPCIWYJMRKKN-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccccc1 993954 DMZGGHPSBBOWSR-AWEZNQCLSA-N 357.475 4.546 0 50 FJAA O=C(CSCc1ccccc1Br)NC1CCCCCC1 1098635 GKMNLMZZPKYTJR-UHFFFAOYSA-N 356.329 4.521 0 50 FJAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Br)cc2F)c1 1122844 DBZIZKZWNVTZSZ-UHFFFAOYSA-N 366.230 4.531 0 50 FJAA CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1 2288916 QPNFUBAIQZJEPO-UHFFFAOYSA-N 369.461 4.728 0 50 FJAA in-vitro Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c3c(c(=O)oc12)CCC3 4387713 DRUOSVPXASSJOV-UHFFFAOYSA-N 368.816 4.505 0 50 FJAA c1ccc(OCc2nc3ccccc3n2-c2cc(-c3ccccc3)[nH]n2)cc1 5071887 MTQSFBBQVYVWQV-UHFFFAOYSA-N 366.424 4.995 0 50 FJAA C[C@H]1CCC[C@@H](C)N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 17074690 ACMLWROAMJIPIL-OKILXGFUSA-N 362.930 4.545 0 50 FJAA Cc1cccc(CSc2nnc(COc3ccc(Cl)c(C)c3)n2C)c1 17076537 PBVRNPVZNOYHQH-UHFFFAOYSA-N 373.909 4.957 0 50 FJAA O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12 37867841 VBHIFANQEUVTMC-UHFFFAOYSA-N 373.843 4.880 0 50 FJAA Cc1ccc([C@H](C)Cc2c(-c3ccccc3)ncn2CCc2cnccn2)o1 65374506 KHRCCNVXBMAHSH-QGZVFWFLSA-N 372.472 4.830 0 50 FJAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 239274905 AWMNRBIWNLOFTP-UGKGYDQZSA-N 360.413 4.921 0 50 FJAA c1ccc(C[C@@]23[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]5[C@@H]5[C@H]9C[C@H]([C@H]54)[C@@H]2[C@@H]2C[C@H]([C@@H]98)[C@H]7[C@@H]2[C@H]63)cc1 257358603 VGIIOXNEVDKDQW-FITBLBCSSA-N 352.521 4.607 0 50 FJAA COc1cccc(C2=NN(C(=O)c3ccsc3)[C@@H](c3ccccc3)C2)c1 328597191 FNKZFBDUGZHOBQ-HXUWFJFHSA-N 362.454 4.748 0 50 FJAA CC(=O)N1c2cc3c(cc2-c2c(ssc2=S)C1(C)C)OCCO3 334160930 OZTPPGRALLLTDZ-UHFFFAOYSA-N 365.501 4.579 0 50 FJAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2ccc(C)nc2C)c1 426723876 NAYWGRZEZLJEII-JOCHJYFZSA-N 359.473 4.984 0 50 FJAA CN(Cc1cccc(OCc2ccccn2)c1)[C@H](c1ccccn1)C1CC1 952988132 MNYGMXFYTYXXSL-QHCPKHFHSA-N 359.473 4.639 0 50 FJAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 1875319236 UROZOGOJABNVBF-UHFFFAOYSA-N 369.571 4.876 0 50 FJAA Cc1ccc(-c2nnc([C@H](C)OC(=O)CSc3cccc(F)c3)o2)cc1 2325822695 JLLBXLRHLXCNPF-ZDUSSCGKSA-N 372.421 4.581 0 50 FJAA COc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CCCC2)cc1OC 995502 XEUBTLORFPWNBG-UHFFFAOYSA-N 373.880 4.599 0 50 FJAA CN1c2ccccc2N(C)C1c1ccc(C2N(C)c3ccccc3N2C)cc1 2968272 PTWZSJQUVVLECK-UHFFFAOYSA-N 370.500 4.856 0 50 FJAA c1ccc(-c2cs/c(=N\C3=NCCCS3)n2-c2ccccc2)cc1 4528487 HQHUCZFVKOXEMQ-VZCXRCSSSA-N 351.500 4.599 0 50 FJAA Cc1ccc2nc(-c3ccc(NC(=O)CCCCC(=O)O)cc3)sc2c1 4950394 YABHIJGGNZUATD-UHFFFAOYSA-N 368.458 4.855 0 50 FJAA CCOc1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O 12073400 UBZVNRRYVNPENZ-KRWDZBQOSA-N 373.880 4.539 0 50 FJAA CC(C)c1cc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)n[nH]1 12302749 VCIYIPVUIWFZJH-GOSISDBHSA-N 361.489 4.781 0 50 FJAA CC(=O)Nc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 18116779 QNZDWPNJUOHPQK-UHFFFAOYSA-N 370.412 4.704 0 50 FJAA CN1CCC(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 67338627 PGFWLFDTNNQVNQ-UHFFFAOYSA-N 366.505 4.709 0 50 FJAA CC(C)c1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n(C)n1 82147571 QYIMNVDXITUDBP-UHFFFAOYSA-N 357.473 4.658 0 50 FJAA OCc1ccc(Cl)c(NCc2nc(-c3c(F)cccc3F)cs2)c1 127464370 PTECGUMCBFYWMR-UHFFFAOYSA-N 366.820 4.846 0 50 FJAA CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2Cl)C1 464770425 KHGHHFMBWFEACC-QWHCGFSZSA-N 361.338 4.538 0 50 FJAA Cn1c(OCC(C)(C)c2ccc(Cl)c(Cl)c2)nc2ccncc21 1875327203 ORRFVHNQTKMOTQ-UHFFFAOYSA-N 350.249 4.632 0 50 FJAA O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1CCc1ccccc1 753083 HRRDPYZKIAHIQQ-QGZVFWFLSA-N 352.286 4.810 0 50 FJAA CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 940017 NCUMFZIHWAOPGJ-UHFFFAOYSA-N 354.358 4.737 0 50 FJAA Cc1cccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)c1 1049966 SIOCDYPZBIVBHE-UHFFFAOYSA-N 374.509 4.712 0 50 FJAA Cc1cc(Br)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 1140676 QOPZHYIXBMZFHX-LLVKDONJSA-N 368.658 4.817 0 50 FJAA COc1ccccc1COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1155610 FPBUAIKDBRNCJC-UHFFFAOYSA-N 370.832 4.913 0 50 FJAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C(N)=O)C1 1200070 UDWAZMZPFUANMP-CYBMUJFWSA-N 362.539 4.517 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F 1218427 BNEPZEXQXZTFLK-UHFFFAOYSA-N 358.157 4.649 0 50 FJAA Cc1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1C 2789192 WOOXELVUHLEOAY-CYBMUJFWSA-N 355.821 4.554 0 50 FJAA Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1Cl 2853574 YSLLTZFGAVMNON-UHFFFAOYSA-N 352.261 4.777 0 50 FJAA CC(C)(C)c1ccc(OCCCn2cnc3ccccc3c2=O)c(Cl)c1 2862574 XAUVUFUUBKVHDK-UHFFFAOYSA-N 370.880 4.817 0 50 FJAA COc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1 2872096 LLEXBQFFSLLBKP-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA O=C(CCCOc1ccc(Cl)cc1Cl)NCCCc1ccccc1 2983162 AQUMYNHMXIFLSN-UHFFFAOYSA-N 366.288 4.901 0 50 FJAA Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 4910493 DWYSCWSRNDRDND-ZCDVPAHGSA-N 365.473 4.971 0 50 FJAA CCc1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 7724054 GFYDGRGVFYMEQK-UHFFFAOYSA-N 350.418 4.685 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCc2ccccc2C1 13320476 UKDQWIRCIYFMDY-UHFFFAOYSA-N 354.759 4.949 0 50 FJAA Cc1ccc(Cl)cc1-n1c(S)nnc1CSCc1ccccc1 17074490 XHNYDPRVODRCEO-UHFFFAOYSA-N 361.923 4.951 0 50 FJAA Cc1nnc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)s1 18322782 GTTZICOXGJOTBQ-UHFFFAOYSA-N 351.456 4.506 0 50 FJAA c1ccc(CN2CCN(CCOc3ccccc3-c3ccccc3)CC2)cc1 20500198 QWOQLDRAMUPTCP-UHFFFAOYSA-N 372.512 4.550 0 50 FJAA C/C=C/c1ccc(OCCCCOc2ccccc2C(=O)OC)c(OC)c1 22238493 WWVLQMKTWCFYCG-RUDMXATFSA-N 370.445 4.753 0 50 FJAA Cc1ccc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nn1 35598020 HRGIJWKRHJQGPW-UHFFFAOYSA-N 353.813 4.826 0 50 FJAA O=C(COc1ccc(Cl)cc1Cl)N1CCCC[C@@H]1c1ccccn1 91596098 QVOKWUBDSOROQV-MRXNPFEDSA-N 365.260 4.521 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2c1 95521817 KRCQPCOVTIUCET-JOCHJYFZSA-N 359.473 4.778 0 50 FJAA c1ccc(-c2nc(N(Cc3ccccn3)C3CC3)c3ccccc3n2)cc1 215734672 PJWWFFFCMSILHS-UHFFFAOYSA-N 352.441 4.861 0 50 FJAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)O)C1 257356887 KXWWWRVUYQUXMN-OSBMRKMASA-N 360.538 4.878 0 50 FJAA O=C(Nc1ccc(-c2cn[nH]c2)cc1)c1ccccc1Oc1cccnc1 1875337544 XQPCKCGAPUMOCK-UHFFFAOYSA-N 356.385 4.516 0 50 FJAA O=S(=O)(Nc1ccc2c(c1)CCCN2)c1ccc(-c2ccccc2)cc1 2325843043 RJWPDTRYEQOAOJ-UHFFFAOYSA-N 364.470 4.513 0 50 FJAA O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCCCC1 676442 YCMCTSXZONMMHB-UHFFFAOYSA-N 354.475 4.872 0 50 FJAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 677395 OWTOMAYMZDSJHX-LFYBBSHMSA-N 366.804 4.837 0 50 FJAA CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 1860490 QTVWLRNUJFVCDO-UHFFFAOYSA-N 356.516 4.828 0 50 FJAA COc1cc2c(cc1NC(=O)c1c(Cl)c(C)nn1C)oc1ccccc12 2760198 MTXTTWYYEDIBOA-UHFFFAOYSA-N 369.808 4.542 0 50 FJAA COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 2856251 DVOZAPRYXLOVCD-UHFFFAOYSA-N 371.483 4.647 0 50 FJAA COc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1 4542130 ARZKOMAJRBQHSS-UHFFFAOYSA-N 360.624 4.673 0 50 FJAA c1ccc2[nH]c(CSc3ncnc4sc5c(c34)CCCC5)nc2c1 4997658 VGDIFRHWKFTEJD-UHFFFAOYSA-N 352.488 4.739 0 50 FJAA Cc1ccccc1CSCc1nnc(S)n1[C@H](C)c1ccccc1 6401660 NYWFDNHNKOAILH-OAHLLOKOSA-N 355.532 4.918 0 50 FJAA CCc1nc(C)c(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)[nH]1 20912712 YTCUOKPZIIBDBF-GOSISDBHSA-N 367.537 4.673 0 50 FJAA CC/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 34961974 YXQCSWUATWXVGK-QJJBBLQJSA-N 362.510 4.715 0 50 FJAA in-vitro O[C@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1-c1ccoc1 65406893 MDTIUYOHENJXSU-IBGZPJMESA-N 366.461 4.520 0 50 FJAA Cc1cc(C)c(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)c(C)c1 67675465 OPHFPKHBIMBVOK-UHFFFAOYSA-N 364.420 4.604 0 50 FJAA Cc1cc(CNc2ncc(C)c(N)n2)c2[nH]c(-c3ccccc3)c(C)c2c1 71753261 VQYIYURRTGBBHD-UHFFFAOYSA-N 357.461 4.744 0 50 FJAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)nn1 82230724 UYRWVFHJDSMSPL-UHFFFAOYSA-N 373.334 4.848 0 50 FJAA COc1ccccc1-c1cccc(NC(=O)N[C@@H]2COC3(CCCC3)C2)c1 97522788 OVTLOICLJWOBCT-SFHVURJKSA-N 366.461 4.585 0 50 FJAA CC(C)c1cc(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)nn1C(C)(C)C 170639168 QGQMWYSYAZMESX-INIZCTEOSA-N 368.525 4.637 0 50 FJAA Cc1sc(CCNC(=O)c2cccc(Cl)c2F)nc1-c1ccccc1 477256270 DFJDSOQDVVDYMN-UHFFFAOYSA-N 374.868 4.884 0 50 FJAA Cc1ccc2ncccc2c1CN1CCC([C@H](O)c2cccs2)CC1 952991114 YGWVRTCUEKAEJF-NRFANRHFSA-N 352.503 4.550 0 50 FJAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)CC(C)C 724399 YZNLPFQQAWZCEK-UHFFFAOYSA-N 367.474 4.662 0 50 FJAA COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 830104 NKXANKIRZLHSEI-UHFFFAOYSA-N 360.413 4.508 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(C)c1 997301 UYLMGEHMRTZGGB-UHFFFAOYSA-N 373.412 4.524 0 50 FJAA CCSc1nnc(NC(=O)c2sc3cccc(F)c3c2Cl)s1 1053608 WVNIPWQVNCYBLB-UHFFFAOYSA-N 373.887 4.910 0 50 FJAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 1115355 ZMFONQVFUJKBRD-UHFFFAOYSA-N 358.441 4.819 0 50 FJAA Cc1c(OCc2c(F)cccc2F)ccc2c3c(c(=O)oc12)CCCC3 1120558 WJDAGXDVTXCYNR-UHFFFAOYSA-N 356.368 4.837 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1Cl 1159259 BQYAEMDDLAACKE-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Cc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1 1302607 ZKAXNKFSYZDFGG-UHFFFAOYSA-N 358.489 4.750 0 50 FJAA CCCOc1cc(OCCC)cc(C(=O)Nc2cccc3nsnc23)c1 2961358 FCFGAVSUZKBBEY-UHFFFAOYSA-N 371.462 4.521 0 50 FJAA CCOc1ccccc1OCCOc1c(C)cc(Br)cc1C 2985335 SJQRIIVARCWHOB-UHFFFAOYSA-N 365.267 4.922 0 50 FJAA COc1ccc(/C=C/CN2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)cc1 11706121 ZLBOONARBUCAMM-WVMJFEGXSA-N 371.427 4.582 0 50 FJAA COc1cc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc(OC)c1 15867112 XBVICMZSUBUXPI-KRWDZBQOSA-N 360.479 4.915 0 50 FJAA c1ccc(-c2cc(CN3CCCC[C@H]3CCc3cccs3)on2)nc1 77341747 JANCJAJJZWEDQL-INIZCTEOSA-N 353.491 4.785 0 50 FJAA C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccccc2Cl)CC3=O)C1 169363829 XXOJCYWPOYETKL-QLFBSQMISA-N 369.896 4.525 0 50 FJAA CC(C)C[C@H](C(=O)Nc1cccc(-c2nc(C(C)C)n[nH]2)c1)n1cccc1 263588097 PAZYVKALZDOBNJ-GOSISDBHSA-N 365.481 4.623 0 50 FJAA c1csc(-c2cc3c(c(O[C@@H]4CCc5ccccc54)c2)OCCNC3)c1 299780318 KSLSQLDTOHJTBG-LJQANCHMSA-N 363.482 4.963 0 50 FJAA COc1c(Cl)cc(Cl)cc1-c1nccn1C[C@H]1CC[C@H](CO)CC1 1857741072 BEEHPUROLZHBNX-JOCQHMNTSA-N 369.292 4.664 0 50 FJAA O=C(NCC[C@H]1CC=CCC1)c1cc2c(O)nc3ccccc3c2s1 1875359299 ADLBHKDEMKLSAG-ZDUSSCGKSA-N 352.459 4.631 0 50 FJAA CCc1cccc(CN2CCC[C@H](NC(=O)CC3(C)CCCC3)[C@H]2C)c1 1875406971 QGCVPXVAPSCRHV-NQIIRXRSSA-N 356.554 4.689 0 50 FJAA O=C(O[C@@H]1CCC[C@H]1c1cccnc1)c1ccc2ccc(Cl)cc2n1 2325743038 XPHNZJWRSHWVKX-QFBILLFUSA-N 352.821 4.776 0 50 FJAA CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 681343 LILOBDJQTSCVKA-UHFFFAOYSA-N 373.865 4.683 0 50 FJAA CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1148769 VTMCIIULMHTGBO-UHFFFAOYSA-N 372.380 4.672 0 50 FJAA O=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1Cl 1397710 XHSUNJYZVOTEQZ-ZDUSSCGKSA-N 353.636 4.655 0 50 FJAA Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 2532782 QFGVFILLDPMYFC-UHFFFAOYSA-N 364.276 4.656 0 50 FJAA aggregator O=C(CCSCCSCCC(=O)c1ccccc1)c1ccccc1 3080750 OPBQSLHHSFDIDS-UHFFFAOYSA-N 358.528 4.999 0 50 FJAA COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 4610865 ZHEACADVKZWGIG-UHFFFAOYSA-N 373.518 4.568 0 50 FJAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)O)C1 4701032 AAWDEJQNVLORHR-JTQLQIEISA-N 363.504 4.911 0 50 FJAA CC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 5664054 FEMOJAYPUQHRMJ-FUHWJXTLSA-N 357.251 4.729 0 50 FJAA Cc1ccccc1N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 8023364 CGFQOJOOJRDLIX-UHFFFAOYSA-N 356.469 4.624 0 50 FJAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(C/C=C/c2ccc(F)cc2)C1 12580668 DVUHVMAAXIQTMB-VQLVADFHSA-N 373.899 4.810 0 50 FJAA Cc1ccc(-c2c(C(=O)NC3CCN(C(C)C)CC3)csc2C)cc1 16604711 ACJZBCUKGNATBJ-UHFFFAOYSA-N 356.535 4.635 0 50 FJAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1C[C@@H]1OCCc2ccccc21 67769516 OZZAKRZLIDMAQH-FQEVSTJZSA-N 370.456 4.563 0 50 FJAA Cc1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)c2c(C)noc2n1 91829767 FVZOGQHBPIGUNV-OAHLLOKOSA-N 369.490 4.529 0 50 FJAA COc1cccc(-c2ccc(NC(=O)N(C)CCC[C@@H]3CCCO3)cc2)c1 299799993 XKRIYUSKNDGRNB-HXUWFJFHSA-N 368.477 4.785 0 50 FJAA Cc1nnc(-c2cccc(C(=O)N3CC=C[C@H]3C(C)C)c2)c2ccccc12 584895356 HSDKIGJMRBNFSS-NRFANRHFSA-N 357.457 4.642 0 50 FJAA O=C(Nc1ccccc1CN1CCCCC1)c1conc1-c1ccccc1 828207946 VMIBKNLTKQJULF-UHFFFAOYSA-N 361.445 4.580 0 50 FJAA Cc1cc(Br)c(O)c(NC(=O)C2CC(C)(c3ccccc3)C2)c1 2325840874 VGYDOINFIDHTIY-UHFFFAOYSA-N 374.278 4.770 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 668827 UEMGDAAXPMEPQA-UHFFFAOYSA-N 360.457 4.745 0 50 FJAA O=C(CCSc1nccn1Cc1ccccc1)Nc1ccc(Cl)cc1 754685 QLMONUXIFRMARQ-UHFFFAOYSA-N 371.893 4.706 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 1135947 OXLHUVLDHGQWSC-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA Cc1occc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2 1200191 NYBJROPKRXWNTI-UHFFFAOYSA-N 361.463 4.736 0 50 FJAA CCCCSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 2497122 GEWRAKILQKYPFH-UHFFFAOYSA-N 368.483 4.989 0 50 FJAA COc1cc(Cl)c(C)cc1NC(=O)c1cccc(Br)c1 2817398 VKCDCOBAGUHOCQ-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Nc2ccccc2F)c1C 12373661 PCONAGQBNHRCCA-CQSZACIVSA-N 352.413 4.511 0 50 FJAA CCOc1ccc/c(=N\c2ccc(NC(C)=O)cc2)c2c(C)oc(C)c12 12658198 CPXCDHRNIGYSPK-PTGBLXJZSA-N 350.418 4.639 0 50 FJAA biogenic Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NCc2ccc(F)c(F)c2)c1 14977542 JSQWADIYAHYYOK-NRFANRHFSA-N 367.443 4.935 0 50 FJAA COc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 19762041 WFZDQZHEMCUHBQ-UHFFFAOYSA-N 372.468 4.506 0 50 FJAA biogenic,in-vitro c1ccc2sc(N3CCCN(CCCc4ccsc4)CC3)nc2c1 20639794 KSRMDDNRFNEGJK-UHFFFAOYSA-N 357.548 4.503 0 50 FJAA Cc1c(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)n(C)c2c(C)cccc12 72169330 KVQZCJJZMMYMKG-LJQANCHMSA-N 361.489 4.512 0 50 FJAA CN(CCn1ccc2ccccc21)C(=O)c1csc(-c2cccs2)n1 91616825 HYZXSLZPCCVKHY-UHFFFAOYSA-N 367.499 4.599 0 50 FJAA Cc1ccc(F)c(C(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2C)c1Cl 91997774 FQEPDJZQOLWHRW-ZDUSSCGKSA-N 371.843 4.773 0 50 FJAA FC(F)(F)Oc1ccc(-c2ccnc(Nc3ccc4[nH]ncc4c3)n2)cc1 211590195 QTYGEBIJNWMVCW-UHFFFAOYSA-N 371.322 4.662 0 50 FJAA CCCc1nc(C(F)F)n(CCOc2cc(Cl)ccc2Cl)n1 225543726 INYZRTDICNMJSZ-UHFFFAOYSA-N 350.196 4.554 0 50 FJAA CN1O[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C[C@H]1c1ccccc1 248077132 UJVUSHBJBUWIJI-ZFWWWQNUSA-N 371.790 4.543 0 50 FJAA Oc1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)cc1 436898377 AISIGSDPKDCEPU-KBPBESRZSA-N 362.307 4.612 0 50 FJAA COc1ccc(NC(=O)N2CCCC[C@H]2CCc2cccs2)c(OC)c1 824576103 OSCNQUACJTXDPT-HNNXBMFYSA-N 374.506 4.785 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 825720100 YDVSWSLNLGOFMO-WOJBJXKFSA-N 366.471 4.934 0 50 FJAA Fc1ccc(N(Cc2ccccc2)Cc2ncc(C3CCOCC3)o2)cc1 1875342895 MDTLTPSHZRQFBQ-UHFFFAOYSA-N 366.436 4.915 0 50 FJAA Clc1cccc(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c1 2084329439 DMZIXAXTKWKJAI-SEIRJHJZSA-N 356.941 4.735 0 50 FJAA Cc1ccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)c(C)c1 622440 XBPXQTARGFGWKU-UHFFFAOYSA-N 374.436 4.827 0 50 FJAA CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4)c(N)c3cc2C1 661831 CPDBAZAEUXRVAJ-ZDUSSCGKSA-N 365.502 4.954 0 50 FJAA CCOc1cc(Br)cc(-c2nc3ccccc3s2)c1O 2856139 LQAMKONAMCMBLW-UHFFFAOYSA-N 350.237 4.830 0 50 FJAA Cc1nc(SCC(=O)Nc2ccccc2)sc1Cc1ccccc1 4866652 DJUAJULJLOOZTO-UHFFFAOYSA-N 354.500 4.773 0 50 FJAA Cc1ccc(Cl)c(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)c1 13425421 GAKXMGPYGDIPID-OAHLLOKOSA-N 358.869 4.561 0 50 FJAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)c2c1 77471533 JAIOFWCOJRLBGN-FQEVSTJZSA-N 363.461 4.940 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 77485593 NEASZBCMAPYENE-QFIPXVFZSA-N 361.489 4.597 0 50 FJAA Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2ccco2)s1 225781769 XFTXTAMPZPCZTP-MRXNPFEDSA-N 354.406 4.780 0 50 FJAA C/C(=C\C(=O)N[C@H]1CCCC12CCOCC2)c1ccc(C(F)(F)F)cc1 800198322 QDRLHJZPLVUEEI-CLVCIHKQSA-N 367.411 4.574 0 50 FJAA CC1(C)C[C@@]1(C(=O)Nc1cccc(CN2CCCC2)c1)c1cccs1 952984194 OWNKDVNXLWJEPQ-NRFANRHFSA-N 354.519 4.650 0 50 FJAA CCOc1cc(CN2CCC[C@@]3(CCC[C@H]3OC)C2)ccc1OC(C)C 1704297032 DEXVZCZXUZRIKL-YADHBBJMSA-N 361.526 4.654 0 50 FJAA Cc1cccc(NS(=O)(=O)c2sccc2C2CC2)c1C(F)(F)F 2325866542 OYBCLJJKAIHXRC-UHFFFAOYSA-N 361.410 4.754 0 50 FJAA Cc1nc2sccn2c1-c1csc(Nc2ccc(N(C)C)cc2)n1 753704 NLZJPRBLQZIJHC-UHFFFAOYSA-N 355.492 4.637 0 50 FJAA O=C(Nc1ccc(Br)cc1Br)c1ccccc1F 842513 NGXMMYQPLRYJAI-UHFFFAOYSA-N 373.019 4.603 0 50 FJAA COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 1022965 RXZGNXJINJVMCE-OAQYLSRUSA-N 372.424 4.553 0 50 FJAA CC1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1 1116045 SHDVWRWMCFCXLD-UHFFFAOYSA-N 373.294 4.938 0 50 FJAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C(=O)O 4819503 QHIBJPXOWNXEQL-LBPRGKRZSA-N 361.825 4.569 0 50 FJAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CC[C@@H](C)C2 5187732 ZTCYGHBQYOAEOK-GFCCVEGCSA-N 356.491 4.782 0 50 FJAA Oc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@H]32)c1 15017951 HCJUXBVEXDTXEU-WBAXXEDZSA-N 360.251 4.789 0 50 FJAA O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1 40566652 KCXQJFBOZVITBG-UHFFFAOYSA-N 355.601 4.554 0 50 FJAA in-vitro COCc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2cc(C)sc2C)o1 162704011 LNTINKGGVRLXCM-DYVFJYSZSA-N 362.495 4.712 0 50 FJAA COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(N2CCCCC2)cc1 216041166 JJZCFSOQOSMUQT-OAQYLSRUSA-N 364.489 4.663 0 50 FJAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](c2nc3ccccc3o2)C1 363700817 XDAYXPGDKCEQRG-MRXNPFEDSA-N 373.412 4.503 0 50 FJAA COc1ccc2c(C)cc(-c3ccc([C@@H](C)N4CCOCC4)cc3)nc2c1 426493184 MMOMUOAXWBOVPU-QGZVFWFLSA-N 362.473 4.612 0 50 FJAA COc1ccc(Cl)cc1-c1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1 426510539 YLPPFBAVAJYJRN-SFHVURJKSA-N 373.880 4.657 0 50 FJAA O[C@@H]1CCN(c2ccnc3cc(OC(F)(F)F)ccc23)Cc2ccccc21 1875270507 VJAJRFIIRWUJML-LJQANCHMSA-N 374.362 4.577 0 50 FJAA CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(CCC2CCCC2)C1 1875335129 SVLZJCAEHVBZGK-OAQYLSRUSA-N 356.554 4.711 0 50 FJAA CO[C@@H]1C[C@H]2C[C@H]1C[C@H]2N(C)C(=O)[C@H](c1ccccc1C)C1CCCC1 1875408228 RAKXVHLZPJSXTC-RXRQOCSWSA-N 355.522 4.541 0 50 FJAA CC(C)Oc1ccc(CNc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1O 2325826949 QRDAFXNHIIWBAK-UHFFFAOYSA-N 374.444 4.730 0 50 FJAA CCCn1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc21 623152 JMMWDVIYRBRIGG-UHFFFAOYSA-N 367.518 4.980 0 50 FJAA CCN(CC)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 946949 IPJINLLGBHKGPQ-UHFFFAOYSA-N 354.494 4.982 0 50 FJAA COc1ccc(CC(=O)Nc2ccc(Br)cc2C(C)C)cc1 1015674 KUJSFIBTJMNFRC-UHFFFAOYSA-N 362.267 4.762 0 50 FJAA Cc1ccccc1CN(c1ccccc1C)S(=O)(=O)c1ccccc1 1075522 IRJRMQKAWCTYFF-UHFFFAOYSA-N 351.471 4.699 0 50 FJAA Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccccc2)s1 1245249 HFIJJLNEIHCERC-UHFFFAOYSA-N 374.853 4.723 0 50 FJAA COc1ccc(NC(=O)N[C@H](C)c2cccc3ccccc23)cc1OC 2347455 RWXNRZDZHYMURD-CQSZACIVSA-N 350.418 4.740 0 50 FJAA Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 2793979 ACVRQDXORMQUOS-UHFFFAOYSA-N 360.385 4.972 0 50 FJAA CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 2980620 WXNJYNQXLAMFBT-UHFFFAOYSA-N 364.401 4.573 0 50 FJAA CCOc1ccc(OCCOCCOc2cc(C)c(Cl)c(C)c2)cc1 2983541 YLVUAKSDMVRNQI-UHFFFAOYSA-N 364.869 4.830 0 50 FJAA Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)c1 4593176 UYCYKBRZXGOMPH-WOJBJXKFSA-N 365.429 4.701 0 50 FJAA O=c1nc(C(F)(F)F)cc(/C=C/c2ccc(-c3cccc(Cl)c3)o2)[nH]1 5286164 CNPGNKQCCCQVIH-SNAWJCMRSA-N 366.726 4.873 0 50 FJAA Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 9331859 MOHZDXVADKEGOT-VAWYXSNFSA-N 367.499 4.791 0 50 FJAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1 15074928 KYTIWTQJRCSSTB-FQEVSTJZSA-N 367.514 4.706 0 50 FJAA COc1cc(-c2cccnc2)cc2c1OCCN(C[C@H](C)c1ccccc1)C2 19743677 RJYYCBPSIMPVFO-SFHVURJKSA-N 374.484 4.755 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N2CCCC[C@@H]2CN)cc1 97117381 KPYPGJGQBKAZSF-GOSISDBHSA-N 369.534 4.632 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1C 101895811 AGABDVAOEBUVHP-IPHXSNPTSA-N 361.441 4.797 0 50 FJAA COc1ccc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)cn1 263588600 WBXPUWUKJSJQTI-NRFANRHFSA-N 371.440 4.663 0 50 FJAA Cc1nn(C(C)C)cc1-c1cccc(C(=O)NCCc2ccccc2F)c1 299780503 JZPSMISCHSZSFH-UHFFFAOYSA-N 365.452 4.551 0 50 FJAA CC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)cs1 299792879 HGXMRORQTSZVCK-VBUUOAMHSA-N 371.477 4.949 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@H](C2CC2)O1 1857719094 CTOFJTUGGSBIEQ-WIYYLYMNSA-N 354.494 4.595 0 50 FJAA COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 834917 CHPLHBZZKHCNKN-UHFFFAOYSA-N 356.219 4.863 0 50 FJAA CCOc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 957108 SNNLVSZOAQNCDZ-UHFFFAOYSA-N 373.758 4.775 0 50 FJAA CCOc1ccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)cc1 1013755 XKSLHHHFONIWNI-UHFFFAOYSA-N 360.388 4.591 0 50 FJAA COc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1Cl 1141172 MPWSPULGQKZQMN-UHFFFAOYSA-N 354.233 4.636 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 1185455 PBMWNLXDISJDFF-UHFFFAOYSA-N 352.203 4.628 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 1215637 OHCOWJJHQSHXEI-UHFFFAOYSA-N 362.429 4.596 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1)C3 2362579 DPCFNOPUCQZUNN-SFHVURJKSA-N 353.425 4.617 0 50 FJAA Cc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)c1C 2854978 YKHXBDMWVXITEO-UHFFFAOYSA-N 357.885 4.619 0 50 FJAA NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1 3815901 UXGJAOIJSROTTN-UHFFFAOYSA-N 363.804 4.775 0 50 FJAA in-vitro Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 15078055 HUGSZSMOTITATO-OAQYLSRUSA-N 362.864 4.692 0 50 FJAA CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4cccc(C)c4C)cc3)C(=O)[C@H]2C1 18241103 YBMWWYBARGBULY-PMACEKPBSA-N 361.441 4.941 0 50 FJAA C[C@H](C(=O)NCc1cccnc1Oc1ccc(F)cc1F)c1ccccc1 67713084 UZWGIZGEHWUNCJ-AWEZNQCLSA-N 368.383 4.572 0 50 FJAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCCc1cccnc1 95526192 JBRZHMKPQWINRU-OAQYLSRUSA-N 364.876 4.616 0 50 FJAA CCCC[Sn](CCCC)(CCCC)c1ccnnc1 169794583 UDLLSOQWYYRFPP-UHFFFAOYSA-N 369.141 4.533 0 50 FJAA O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccncc1Cl 170646487 ZXSXMFLCXBZPLV-MRXNPFEDSA-N 363.269 4.969 0 50 FJAA O=C(c1ccc2oc(O)nc2c1)N(Cc1ccc(F)cc1)C1CCCCC1 485747096 VVUGHDFIVRTNMV-UHFFFAOYSA-N 368.408 4.648 0 50 FJAA CN(Cc1cccc(OCc2c(F)cccc2Cl)c1)C[C@H]1CCOC1 823709385 NQLSVTOHMMIQHR-MRXNPFEDSA-N 363.860 4.526 0 50 FJAA O=C(c1cccc(-c2cccc(F)c2)c1)N(CC1CCC1)C[C@@H]1CCCO1 826621340 DQMVFCFWSSEDOQ-QFIPXVFZSA-N 367.464 4.914 0 50 FJAA COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 1474777555 UBPXIGOKVIXIJO-UHFFFAOYSA-N 354.855 4.548 0 50 FJAA Cc1c(O)ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1C 1875345854 KNLOQPIIBSXXQG-NRFANRHFSA-N 363.482 4.858 0 50 FJAA C[C@@H](NCc1cnn(C2CCOCC2)c1)c1ccc(Cl)c2ccccc12 2325777429 ATKOTFJZRCFKOB-OAHLLOKOSA-N 369.896 4.892 0 50 FJAA O=C(COc1ccc(Br)cc1)Oc1cccc2ccccc12 1142968 UYILDVXLUFYSGO-UHFFFAOYSA-N 357.203 4.587 0 50 FJAA CCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC 1158654 NFTMZZMUQZIEKX-UHFFFAOYSA-N 353.491 4.658 0 50 FJAA CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 1175534 YMHNRWSCPCBPAB-UHFFFAOYSA-N 366.408 4.956 0 50 FJAA CCc1c2c(cc(-c3ccccc3)[n+]1CCCCCC(=O)O)CCCC2 3130474 CRWZMIGHXXUFAH-UHFFFAOYSA-O 352.498 4.727 0 50 FJAA CC(C)c1ccc(OC(=O)c2ccccc2I)cc1 4071488 DIKSOYKUBQKXRL-UHFFFAOYSA-N 366.198 4.634 0 50 FJAA Cc1ccc(OCc2nnc(-c3ccc(Br)cc3)o2)cc1C 4841125 UQUHATULTOJXGA-UHFFFAOYSA-N 359.223 4.695 0 50 FJAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc(C(F)(F)F)c1 12058534 NYWMUHDYFXSQKJ-IBGZPJMESA-N 358.363 4.681 0 50 FJAA O=C(c1ccc(-c2ccc(O)cc2)nc1)N1CCC[C@H](c2ccccc2)CC1 71415866 CSLMGPKDGIFEBU-IBGZPJMESA-N 372.468 4.864 0 50 FJAA Cc1[nH]cnc1CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71589476 AUMWVISMPQOZDD-HNNXBMFYSA-N 351.416 4.582 0 50 FJAA O=C(c1cc2sccc2[nH]1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71750708 DYRNPVCXRZQWND-HNNXBMFYSA-N 356.466 4.854 0 50 FJAA O=C(c1cc(-c2ccccc2)no1)N1CCCC[C@H]1CCc1ccccc1 77458928 WVTUMVDHHMMHEN-FQEVSTJZSA-N 360.457 4.969 0 50 FJAA COc1cc(C)ccc1CN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C 225566585 SJDYMMIAXFMMKM-OAHLLOKOSA-N 371.481 4.596 0 50 FJAA Cc1ccc(Cn2c[n+](CCCOc3ccccc3)c3ccccc32)cc1 252485419 GUXZLMXOXYYSQX-UHFFFAOYSA-N 357.477 4.755 0 50 FJAA C[C@@H](NC(=O)c1snc(O)c1Cl)c1ccc(Oc2ccccc2)cc1 253404732 DPHSKGSEDDIHLG-LLVKDONJSA-N 374.849 4.785 0 50 FJAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)N)[C@@]4(C)CC[C@H]32)C1 257347831 VJYVCSBIXCOHFV-GUCOKAMLSA-N 361.570 4.924 0 50 FJAA Fc1cccc(C2(c3nnc([C@H]4CCO[C@@H]4c4ccccc4)o3)CC2)c1 299739406 OBPRKEKMMYQRSK-ZWKOTPCHSA-N 350.393 4.534 0 50 FJAA C/C(=C\c1ccco1)CN1CCOc2ccc([C@@H](O)CC(C)C)cc2C1 299765546 BQJJSRNLPMYEGL-RKCQOLGWSA-N 355.478 4.657 0 50 FJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2c[nH]ccc2=N)cc1 426566852 GXIJALFKAPFZSJ-QFIPXVFZSA-N 374.488 4.560 0 50 FJAA Cc1sc2nc(-c3ccc(F)cn3)nc(O)c2c1-c1ccc(F)cc1 487467775 BVPZGAGMYPYTRN-UHFFFAOYSA-N 355.369 4.713 0 50 FJAA Cc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c(C)c1 741181541 UVTWPBFVPDSRIL-HZPDHXFCSA-N 363.379 4.969 0 50 FJAA C[C@@H](Cc1cccnc1)OC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 2325725144 MAAULYFTCXOCSE-VFNNOXKTSA-N 368.433 4.532 0 50 FJAA O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1cc(F)ccc1Cl 2325871372 JFKZMRIXLZKEHF-HXUWFJFHSA-N 368.839 4.934 0 50 FJAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]21 2356156121 SEBXOKKUGHDLJI-KLHJMIIUSA-N 359.897 4.973 0 50 FJAA COc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1OC 798777 UBPWMHQDSJEESG-UHFFFAOYSA-N 353.443 4.535 0 50 FJAA COc1ccccc1NC(=O)c1ccc(COc2ccccc2OC)cc1 1111722 DDUHTKUELVNBLQ-UHFFFAOYSA-N 363.413 4.535 0 50 FJAA Cc1c(C)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2oc1=O 1166158 RFCGXMXGFYKFAH-UHFFFAOYSA-N 363.196 4.936 0 50 FJAA Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1Cl 1171581 NWWDPVJCBGTZFV-UHFFFAOYSA-N 362.882 4.562 0 50 FJAA COc1ccccc1-n1c(-c2ccccc2Cl)nc2ccccc2c1=O 1176356 XAWFSGPVKVDTED-UHFFFAOYSA-N 362.816 4.715 0 50 FJAA O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 1177522 SFUXSRRXNJPMOO-UHFFFAOYSA-N 357.388 4.931 0 50 FJAA c1ccc(COc2ccc(OCCCSc3ncccn3)cc2)cc1 2844399 VCXNJMKYZJWVAQ-UHFFFAOYSA-N 352.459 4.617 0 50 FJAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1c(F)c(F)cc(F)c1F 5455493 DDVNRFNDOPPVQJ-HQJQHLMTSA-N 371.157 4.877 0 50 FJAA in-man O=C(c1csc(-c2cccs2)n1)N1CCc2[nH]c3ccccc3c2C1 11979165 OLUWWIOVXKUAGX-UHFFFAOYSA-N 365.483 4.551 0 50 FJAA Cc1cc(-n2cccn2)ccc1CN[C@@H](C)c1cnn(-c2ccccc2)c1C 12583712 IBSYDUDBUBNKRE-SFHVURJKSA-N 371.488 4.526 0 50 FJAA Cc1ccc(C2(c3noc(CN(C)Cc4ccc(C)o4)n3)CCCC2)cc1 20450710 GLPNPOSSKFHIRJ-UHFFFAOYSA-N 365.477 4.772 0 50 FJAA O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 34516301 KLYCHCROKLFIEG-UHFFFAOYSA-N 373.408 4.527 0 50 FJAA CCc1nc(C)c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)s1 64897748 GNMNYMKFFSZRSL-UHFFFAOYSA-N 352.862 4.611 0 50 FJAA COc1cccc(Cn2cnc(-c3ccccc3)c2-c2cccnc2)c1OC 65458232 GHXWSVVGNHFQID-UHFFFAOYSA-N 371.440 4.678 0 50 FJAA CN(CCC(C)(C)O)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72473017 CSGPNTZTXKWCPN-UHFFFAOYSA-N 370.880 4.721 0 50 FJAA Cc1c(Cl)cccc1Nc1ncncc1-c1nc(-c2ccccc2)no1 169775548 YOFOMQSREZIPLW-UHFFFAOYSA-N 363.808 4.899 0 50 FJAA CNc1ccc(-c2cccc(C(=O)N[C@@H](c3cc(C)ccn3)C3CC3)c2)cc1 299780873 ABXUMLKKABSGST-HSZRJFAPSA-N 371.484 4.980 0 50 FJAA Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3nc(C(C)(C)C)no3)c2C)c1 435986069 VCROYMYKAAQLMA-AWEZNQCLSA-N 353.470 4.651 0 50 FJAA Cc1cc(-c2cc3c(s2)C2(CCNCC2)OCC3)c2cc(F)ccc2n1 1857734703 NMLVKFGKNCQWRB-UHFFFAOYSA-N 368.477 4.562 0 50 FJAA COc1ccc(OC)c(Nc2nc(-c3c(C)nc4sccn34)cs2)c1 888771 UFXBHBODJVWXAU-UHFFFAOYSA-N 372.475 4.589 0 50 FJAA C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1)c1ccccc1 1145137 RBPGDMDLLLJFEV-OAHLLOKOSA-N 362.404 4.569 0 50 FJAA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccnc1 1200335 WGXGEUQSJHCURN-UHFFFAOYSA-N 350.230 4.764 0 50 FJAA COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 1210144 VLDAXIBOWKGURN-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA Cc1nc(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc1C 1903803 RXRIRWNPRXHLDY-UHFFFAOYSA-N 359.278 4.864 0 50 FJAA Cc1cccc(-n2c(S)nnc2COc2ccc(C(C)(C)C)cc2)c1 4189503 VAVDIVYQHNOFLZ-UHFFFAOYSA-N 353.491 4.741 0 50 FJAA COc1cc(NC(=O)c2ccccc2C(F)(F)F)c(OC)cc1Cl 5937339 BGJRWMCRRSEZAC-UHFFFAOYSA-N 359.731 4.628 0 50 FJAA COc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 8571159 HHURRQDTNQTLTG-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1cc2ccccc2[nH]1 12578686 WPLDTUOIIKEORV-FQEVSTJZSA-N 360.436 4.660 0 50 FJAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC1CCSCC1 12707906 RVRNGRSHRUUEJS-GOSISDBHSA-N 355.551 4.679 0 50 FJAA CCOc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 35598002 OTDJGNCGNDYANQ-UHFFFAOYSA-N 363.421 4.571 0 50 FJAA COc1cccc([C@@H]2CCCCN2C(=O)c2[nH]c3c(F)cccc3c2C)c1 77484950 ALEJWTMFENOMNY-IBGZPJMESA-N 366.436 4.991 0 50 FJAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cc(OC(F)F)n(C)n1 170616959 FKSLFPQHOPSUCV-UHFFFAOYSA-N 366.412 4.912 0 50 FJAA CCC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N(C)C(C)=O)cc2)cc1 426574965 DYEUEIVEHBHLCI-JOCHJYFZSA-N 364.489 4.741 0 50 FJAA Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)C(CC(C)C)CC(C)C 1875342966 BFHLXMVYUOABQC-SFHVURJKSA-N 355.526 4.870 0 50 FJAA O=C(CSc1ccc(F)cc1)OCc1ccc(Oc2cccnc2)cc1 2325719765 ZMKLLSKHTVVFBB-UHFFFAOYSA-N 369.417 4.849 0 50 FJAA Cc1cccc(Oc2ccc(NC(=O)/C=C/c3cncs3)cn2)c1C 2325748802 SPCIJEXNNBAKQJ-BQYQJAHWSA-N 351.431 4.599 0 50 FJAA CCSc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 671953 NSXYZOJAEMDNFX-UHFFFAOYSA-N 369.515 4.811 0 50 FJAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1C[C@H]1c1ccccc1 755101 NGPJRMALIRIVRY-PMACEKPBSA-N 353.425 4.744 0 50 FJAA COc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1 996981 BJBCCEOGNVTBJR-UHFFFAOYSA-N 355.397 4.558 0 50 FJAA O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1F 1013752 UVWCFAUGUUADDW-UHFFFAOYSA-N 368.795 4.984 0 50 FJAA Cc1ccc(C(=O)Nc2ccccc2C(=O)OCc2cccc(F)c2)cc1 1051517 IRMPDXJPDGKEMC-UHFFFAOYSA-N 363.388 4.743 0 50 FJAA O=C(Oc1ccc(Cl)c2cccnc12)c1cccc(Br)c1 1144544 LPUVAAFEYGBFMW-UHFFFAOYSA-N 362.610 4.870 0 50 FJAA C[C@@H]1CC=C2C(=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)C1 1424277 UCSKNNCJVSCLSE-CYBMUJFWSA-N 352.384 4.991 0 50 FJAA Cc1cc(Cl)cc(Br)c1OCCCSc1ncccn1 2844561 USUTVNLLSMAXFR-UHFFFAOYSA-N 373.703 4.762 0 50 FJAA Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 6314566 JQAPQWVIVFKMCC-GFCCVEGCSA-N 358.290 4.650 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 17072929 ALZQGBPKHSLVMU-VVFCZOMOSA-N 351.446 4.581 0 50 FJAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccccc3)nn12 20606899 FXIAOFIXHVKGOK-UHFFFAOYSA-N 363.804 4.503 0 50 FJAA O=C(/C=C\c1ccccc1)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 22108277 GOKMHTSYHGYMKG-XFXZXTDPSA-N 374.831 4.726 0 50 FJAA c1ccc(COC[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)O2)cc1 26522846 WSUZUZKCMDWXQS-BJKOFHAPSA-N 359.469 4.803 0 50 FJAA Cc1ccc(-c2nc(NCc3cccnc3)ncc2-c2ccncc2)cc1 65460135 ZMCBVZIEXGDJGH-UHFFFAOYSA-N 353.429 4.521 0 50 FJAA Fc1cccc(-c2cn[nH]c2C2CCN(c3cnc4ccccc4n3)CC2)c1 67676188 YXYONQBMPRIJDK-UHFFFAOYSA-N 373.435 4.543 0 50 FJAA Cc1cccc(-c2nc3cc4c(cc3cc2CN2CCC(O)CC2)CCC4)c1 72457120 OKYDXYAENJISPX-UHFFFAOYSA-N 372.512 4.656 0 50 FJAA Cc1ccc(CSc2ccccc2NC(=O)N2CCCC[C@H]2CN)cc1 97117385 KPYPGJGQBKAZSF-SFHVURJKSA-N 369.534 4.632 0 50 FJAA CCOc1ccc([C@H](Nc2ccccc2)[P@]2(=O)O[C@@H](C)[C@@H](C)O2)cc1 239338695 KZBJJSMVWRJRAD-QIICQIFZSA-N 361.378 5.213 0 50 FJAA CSc1cccc(NC(=O)N(Cc2cccc(C)c2)C[C@@H]2CCCO2)c1 252486855 HPKOAZNHYPYIET-IBGZPJMESA-N 370.518 4.930 0 50 FJAA CN(C)c1cccc(-c2cccc(C(=O)N(Cc3ccccn3)C3CC3)c2)c1 299797891 QUYHCSQALMKEAD-UHFFFAOYSA-N 371.484 4.619 0 50 FJAA C[C@H](NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(C(F)F)nc1 850555663 MACJAWBGICEBPV-BJOHPYRUSA-N 361.219 4.710 0 50 FJAA CC1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 1113128 FNGKHHBFRDFUEX-UHFFFAOYSA-N 373.294 4.938 0 50 FJAA O=C(/C=C/c1c(F)cccc1Cl)Nc1ccccc1Br 1114241 YEMPFXUQTHHLJF-CMDGGOBGSA-N 354.606 4.894 0 50 FJAA CCOC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 4056514 BOEPHJFFQQIWES-UHFFFAOYSA-N 364.879 4.667 0 50 FJAA Cc1cc2nc(NC(=O)c3ccccc3Br)sc2cc1C 4586146 GUEKKWNMRAKYRK-UHFFFAOYSA-N 361.264 4.928 0 50 FJAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCC2(C)CC2)C1 12021881 PZVLZBGCQMXMOR-GOSISDBHSA-N 351.494 4.582 0 50 FJAA Fc1ccc(Cn2ccc(NC(=S)Nc3ccc(Cl)cc3)n2)cc1 13330888 MVLFNBCORVQVLN-UHFFFAOYSA-N 360.845 4.533 0 50 FJAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc(F)cc1 13331523 VYZOHQAAZPZTDC-UHFFFAOYSA-N 372.831 4.985 0 50 FJAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(CO)o1 15070628 IMAGXEKKMFDPTF-XMMPIXPASA-N 372.468 4.709 0 50 FJAA CC(=O)OC1=CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C 34621179 KPJNGUPMJAHAND-VMBXEPDQSA-N 354.446 4.525 0 50 FJAA COc1ccc2c(C)c(C(=O)N(C)[C@H](C)c3nc(C)sc3C)oc2c1 82147752 XADVQGCKMROYPW-LLVKDONJSA-N 358.463 4.656 0 50 FJAA C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(OCC2CC2)c2ccccc2n1 1875357216 XKZCGTRRNQKAAY-IVZQSRNASA-N 352.478 4.722 0 50 FJAA O=C(COc1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 629869 XDDDYMCPALFXAE-UHFFFAOYSA-N 351.833 4.625 0 50 FJAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1OC 940245 IFPMKMIZWKLOIN-UHFFFAOYSA-N 356.809 4.817 0 50 FJAA CCOc1cccc(=O)c2c(C)n(-c3ccc(Br)cc3)c(C)c12 2137256 ORFWOGDOLYDXJO-UHFFFAOYSA-N 372.262 4.769 0 50 FJAA biogenic COc1cccc(OCCOCCOc2ccc(Cl)c3ccccc23)c1 4701783 PVFCAWFSHSAECR-UHFFFAOYSA-N 372.848 4.976 0 50 FJAA CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8040917 XWWZRJYTZXUSKN-UHFFFAOYSA-N 356.491 4.578 0 50 FJAA CCOC(=O)c1c(C)nc(Nc2nc3ccccc3o2)nc1-c1ccccc1 9111397 JNDBBYIJHFCBRM-UHFFFAOYSA-N 374.400 4.514 0 50 FJAA CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2cccc(C)c2)C1 11966978 UQUACJGWXYKDOC-QFBILLFUSA-N 351.494 4.513 0 50 FJAA O=c1c(-c2nc3ccccc3s2)c(C(F)(F)F)oc2cc(O)ccc12 17729191 MZNCHSRVCYMSNV-UHFFFAOYSA-N 363.316 4.794 0 50 FJAA CCc1ccc(C2(c3ccc(CC)cc3)C(=O)NCc3ccccc32)cc1 22184873 ZCNADWASLQNWPV-UHFFFAOYSA-N 355.481 4.776 0 50 FJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc2cc(OC)ccc2n1C 215400114 RZHSYJQKDAMAIH-IBGZPJMESA-N 365.477 4.585 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cccc(F)c1F)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 245254598 ATFVUDFVPCXXQB-QTIBEBJNSA-N 355.384 4.960 0 50 FJAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 753264 PRZBEXWQYPPUQH-UHFFFAOYSA-N 370.179 4.813 0 50 FJAA CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 842362 XSGQILDXFKUBRB-UHFFFAOYSA-N 373.412 4.849 0 50 FJAA Cc1nc(OCCCCCN2CCCCC2)cc(-c2ccc(F)cc2)n1 1544509 SZSHJTJCJOWMHM-UHFFFAOYSA-N 357.473 4.626 0 50 FJAA investigational O=C(CCCOc1ccc(Cl)cc1Cl)N1CCc2ccccc21 2310291 HCLKSGBEUMOORR-UHFFFAOYSA-N 350.245 4.742 0 50 FJAA Cc1cccc(OC(=O)COc2ccc(Cl)cc2Br)c1C 2886469 KCGNZGQVXKSRBR-UHFFFAOYSA-N 369.642 4.704 0 50 FJAA c1ccc(CC[C@@H]2CCCCN2Cc2nc(-c3cccs3)no2)cc1 12585321 WVSUSAKFWHBFHR-KRWDZBQOSA-N 353.491 4.785 0 50 FJAA Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)sc1-c1ccccc1 13326404 FYCNEFRKUSNGLC-UHFFFAOYSA-N 362.498 4.686 0 50 FJAA Cc1ccsc1-c1c(-c2ccccc2)ncn1C[C@@H](O)c1cccnc1 65410472 FDCOBARPGLSKPI-GOSISDBHSA-N 361.470 4.716 0 50 FJAA Cc1cccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1C 69150658 SQTGDPXKULEBLV-UHFFFAOYSA-N 363.530 4.749 0 50 FJAA Cc1cccc(OCCCN(C)C(=O)c2cc(C)nc3ccc(C)cc23)c1 77343177 NDESNBVJDKJUQS-UHFFFAOYSA-N 362.473 4.701 0 50 FJAA COc1cccc([C@H]2CC(c3c(OC)ccc4ccccc34)=NN2C(C)=O)c1 170612659 ZBHAWWLJETXFHF-OAQYLSRUSA-N 374.440 4.555 0 50 FJAA CCCc1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)cc1 239165079 NKEVONKMIIRLDD-FFQWIGKUSA-N 369.505 4.510 0 50 FJAA CC1=CCC[C@@](C)(O)C=C[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 257198503 AVRRAMZPNSQDIW-RZUBCFFCSA-N 358.478 4.627 0 50 FJAA biogenic COc1cccc([C@@H]2CCN2C(=O)c2ccc(N3CCCC3)c(Cl)c2)c1 824774931 UTAVPFQKGLKCTM-IBGZPJMESA-N 370.880 4.536 0 50 FJAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 1127625 NNRNXUNJZIWZBL-UHFFFAOYSA-N 367.232 4.603 0 50 FJAA CN(C)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 1153784 YATXZPWFDAKMDM-UHFFFAOYSA-N 373.667 4.730 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1N(C)C 1173492 YTMBJWAAGKGPCK-LBPRGKRZSA-N 367.276 4.774 0 50 FJAA Cc1[nH]c2ccccc2c1CCn1c(C)nc(=O)c(-c2ccccc2)c1C 1424542 LHVZBSQTTCQGNI-UHFFFAOYSA-N 357.457 4.560 0 50 FJAA CC1(C)CC(=O)c2cnc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2C1 2441426 OMDCKAOQTALWSP-UHFFFAOYSA-N 371.440 4.551 0 50 FJAA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 2998234 VRYBCCKPCJDQRJ-MRXNPFEDSA-N 373.452 4.850 0 50 FJAA COc1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1Cl 4689070 CDDUUHKLCNBKOE-UHFFFAOYSA-N 374.849 4.530 0 50 FJAA Cc1cc(OCC(=O)N2[C@H](C)CCC[C@H]2C)c(C)c(C)c1Br 4833592 LQOUMWIFUQKXSV-CHWSQXEVSA-N 368.315 4.543 0 50 FJAA CC1CCN(C(=S)N[C@@H](CC(=O)c2ccccc2)c2ccccc2)CC1 5218810 UVQKXKCEPSIFGT-FQEVSTJZSA-N 366.530 4.607 0 50 FJAA CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1 5643144 VCLZNSKKBGUXBB-BONVTDFDSA-N 365.886 4.615 0 50 FJAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1cccc(F)c1)C2 12034452 YLLNFAUSXWTSBD-UHFFFAOYSA-N 355.434 4.654 0 50 FJAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 15867100 MTEKOGUSNWEBTB-INIZCTEOSA-N 358.463 4.684 0 50 FJAA CC(=O)CCC(C)(C)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 131745848 YSENIKKAUHXMSE-UHFFFAOYSA-N 370.518 4.645 0 50 FJAA O[C@H](c1cccs1)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 215225578 JSFRCUZLDPMPQH-FQEVSTJZSA-N 371.550 4.531 0 50 FJAA Cc1cc(F)ccc1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 426436751 SHMFTIGIKBIIGD-FQEVSTJZSA-N 355.453 4.832 0 50 FJAA CC(=O)c1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 1506404194 BHSDYOQRSNZOTQ-OAHLLOKOSA-N 356.516 4.940 0 50 FJAA Cc1ccc(S(=O)(=O)c2nc(C)sc2Sc2ccccc2)cc1 1857799815 DXZSACYNAIQYGS-UHFFFAOYSA-N 361.513 4.744 0 50 FJAA Cc1cnn(-c2ccc([C@@H](C)NCc3cccc4cccnc34)cc2F)c1 2325723657 JITKPILDUIKFHS-MRXNPFEDSA-N 360.436 4.719 0 50 FJAA CCCCc1oc2ccccc2c1C(=O)N1CCC(c2cncn2C)CC1 2325862891 MMUYMSGIAFWRFX-UHFFFAOYSA-N 365.477 4.529 0 50 FJAA COc1ccccc1NC(=O)Oc1cccc(OC(=O)c2ccccc2)c1 641093 RXBOJLJFINKKEF-UHFFFAOYSA-N 363.369 4.525 0 50 FJAA CCc1ccc(OC(=O)c2ccc(COc3ccccc3OC)o2)cc1 649205 VYSAPIADDUSASG-UHFFFAOYSA-N 352.386 4.649 0 50 FJAA Cc1cc(C)cc(C[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 651263 XXBWSXOXCLJHPS-AWEZNQCLSA-N 362.256 4.732 0 50 FJAA CC[C@@H]1CCc2c(sc(NC(=O)CCC3CCCCC3)c2C(N)=O)C1 1218168 PFQMMDWCVPHIBL-CYBMUJFWSA-N 362.539 4.661 0 50 FJAA Cc1ccccc1C(=O)Nc1c(C)nn(Cc2cccc(Cl)c2)c1C 2796500 CSWPXKUYALBNAT-UHFFFAOYSA-N 353.853 4.762 0 50 FJAA O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nc3cccnc3s2)c1 6781362 DWJZWBMOWAIGAT-UHFFFAOYSA-N 363.417 4.679 0 50 FJAA Cc1ccc(C)c(-n2c(S)nnc2-c2cc(Br)cs2)c1 8411202 WLWFNZPFLUTTGA-UHFFFAOYSA-N 366.309 4.664 0 50 FJAA O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H]1c1cccc(F)c1 21791420 UGITVLXGXMPOJB-GOSISDBHSA-N 354.356 4.597 0 50 FJAA Cc1ccccc1N1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 23633938 WYEGJCWTKGBZEK-UHFFFAOYSA-N 351.881 4.832 0 50 FJAA Clc1ccccc1-c1cc(C2CCN(Cc3cccnc3)CC2)n[nH]1 67588403 APDONXUKETXPTD-UHFFFAOYSA-N 352.869 4.505 0 50 FJAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)n2C)c1 82098283 FKCOPJZLQCONLB-NRFANRHFSA-N 360.457 4.678 0 50 FJAA C[C@@H](Nc1ccc(N2CCCC2=O)c(F)c1)c1cnc2ccsc2c1 170592758 BWXWVGMKNDDVLF-GFCCVEGCSA-N 355.438 4.735 0 50 FJAA O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)N1CCC[C@@H]1c1ccncc1 333134085 XILJGONXJNSAIB-OWIUFQIYSA-N 368.506 4.811 0 50 FJAA CC(C)c1nc(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cs1 426489802 VLOVWRJUVZJAOB-UHFFFAOYSA-N 368.506 4.622 0 50 FJAA Cc1cc(Cl)ccc1-c1cccc(C(=O)N2CCC3(CCO3)CC2)c1 426492902 OLPNCCIROYZTKA-UHFFFAOYSA-N 355.865 4.711 0 50 FJAA OC1(c2ccc(-c3ccccc3)cc2)CCN(CC2(C(F)F)CC2)CC1 2325747437 FMKUNXJXISMPAU-UHFFFAOYSA-N 357.444 4.682 0 50 FJAA C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl 671643 IDTIFXTUWLOZQC-ZDUSSCGKSA-N 352.261 4.510 0 50 FJAA O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1 1156850 XVKWMIZOXJNNMC-UHFFFAOYSA-N 374.868 4.656 0 50 FJAA O=C1C[C@@H](c2ccccc2)c2cccc(N3CCN(c4ccccc4)CC3)c21 1388203 LMSGVNUBVSOTGJ-QFIPXVFZSA-N 368.480 4.732 0 50 FJAA CCCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 1770626 OJHXLAABIPQTIV-UHFFFAOYSA-N 369.461 4.703 0 50 FJAA COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(C(C)C)cc1 2763404 WWSNZFLJSOIOIT-UHFFFAOYSA-N 357.475 4.982 0 50 FJAA CCC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 4740583 LERSTHSTIGHXDA-UHFFFAOYSA-N 370.758 4.960 0 50 FJAA CSc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11665273 LYJIMIKPCOQMPW-GOSISDBHSA-N 369.534 4.644 0 50 FJAA COc1ccc([C@@H](CC(=O)N(C)Cc2ccncc2C)c2ccccc2)cc1 12319369 ODUBLGIXFJHMFH-QHCPKHFHSA-N 374.484 4.579 0 50 FJAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1 15867102 ACVNMXKEYSWUNP-KRWDZBQOSA-N 372.490 4.992 0 50 FJAA Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 19770494 HEKUMTWUINMLJB-UHFFFAOYSA-N 356.469 4.806 0 50 FJAA Cc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccccc4[C@H]3C2)cc1 239309025 HDPBXTWXTZJAAJ-GGAORHGYSA-N 374.871 5.891 0 50 FJAA O=C(c1cc(C2CC2)on1)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 252483574 FFKZHYRFVRGHPL-MSOLQXFVSA-N 350.462 4.667 0 50 FJAA CCc1oc2c(NC(=O)N3CCCC[C@H]3c3nc(C)no3)cccc2c1C 426567160 WWGZAUPAAYWBOL-INIZCTEOSA-N 368.437 4.754 0 50 FJAA COc1c(Cl)cc(Cl)cc1CNC(=O)c1cc2ccncc2s1 1875358695 GGPQZLGIJSSBFV-UHFFFAOYSA-N 367.257 4.542 0 50 FJAA CC1(S(=O)(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 2325874477 NWOIHYDKSBIEPP-INIZCTEOSA-N 370.301 4.555 0 50 FJAA C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2CN2CCCC2)C1 944646 AFCYYXJVKMRVHD-OAHLLOKOSA-N 354.519 4.721 0 50 FJAA Cc1cccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1C 958161 YVBWUPNYVXFBGN-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA CCOc1ccc(OCc2cccc(C(=O)N3CCCCCC3)c2)cc1 998908 MFUXQBMFODKYNP-UHFFFAOYSA-N 353.462 4.681 0 50 FJAA CC[C@@H](C)Nc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 1157952 KYFVXGOIDFBNJW-SNVBAGLBSA-N 356.495 4.610 0 50 FJAA CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2209583 HPHAQHFNZIGMRV-ZDUSSCGKSA-N 363.490 4.552 0 50 FJAA O=C(NC1CCCCCC1)c1ccc(COCC(F)(F)C(F)F)cc1 2750618 GYAGVUDZIDUVAJ-UHFFFAOYSA-N 361.379 4.556 0 50 FJAA O=C(CSCc1c(Cl)cccc1Cl)N1CCc2ccccc2C1 2843763 VPCTVQOUCHXURJ-UHFFFAOYSA-N 366.313 4.812 0 50 FJAA COc1ccc(Br)cc1-c1noc(-c2cccc(Cl)c2)n1 2884363 STOGPHCSOOFZLO-UHFFFAOYSA-N 365.614 4.828 0 50 FJAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 2986825 JRSVGSLNGKMOLL-UHFFFAOYSA-N 370.518 4.943 0 50 FJAA Cc1nc2ccccc2nc(C)c1=NOCc1ccc(Cl)cc1Cl 3620539 UQAOXCRJDWQXAG-UHFFFAOYSA-N 360.244 4.586 0 50 FJAA CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@@H]1C)Nc1ccccc1-2 4420232 VDVFMPOMKNVTKW-SUNYJGFJSA-N 368.506 4.773 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc1C 4675355 XYKAIXZTXDBZJH-PKNBQFBNSA-N 350.447 4.969 0 50 FJAA Cc1nn2c(=O)cc(Cc3ccccc3)[nH]c2c1-c1cccc2ccccc12 5611855 WTJLEHGKUIEXGZ-UHFFFAOYSA-N 365.436 4.742 0 50 FJAA Cc1cc2cc(C(=O)N[C@H](C)c3cnn(-c4ccccc4)c3C)ccc2o1 11873909 OJOOVZCNBQACNU-OAHLLOKOSA-N 359.429 4.726 0 50 FJAA O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 13325238 LMNKOFLOHIRDIH-UHFFFAOYSA-N 363.383 4.945 0 50 FJAA CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3 14928870 XUPOZHDUFRMVTF-HUYGQZFBSA-N 364.441 4.829 0 50 FJAA biogenic O=C(Nc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19594251 WGGBWHQLKQIGBR-UHFFFAOYSA-N 371.484 4.626 0 50 FJAA Cc1cc(CNC(=O)c2cc(C)on2)c2[nH]c(-c3ccccc3)c(C)c2c1 71774909 WGMPIHDRDZPPND-UHFFFAOYSA-N 359.429 4.678 0 50 FJAA FC(F)Oc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100708291 UVNTXWJNRQZKFE-INIZCTEOSA-N 374.778 4.589 0 50 FJAA Cc1ccc(CN2CCOCC2)cc1N[C@@H](C)c1csc(C(C)C)n1 186489746 RCRPIEXHDVVFBQ-INIZCTEOSA-N 359.539 4.580 0 50 FJAA CCCC(=O)Nc1cccc(CN[C@@H]2CCCc3c(OC)cccc32)c1 194853739 YYLTVFTUTVSGQQ-HXUWFJFHSA-N 352.478 4.601 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cccc(F)c1F)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245254597 ATFVUDFVPCXXQB-GMJSJGLGSA-N 355.384 4.960 0 50 FJAA CCCN(Cc1ccccn1)C(=O)c1ccc(-c2cc(C)nc(C)c2)cc1 426392819 NIALIOYXGSGRJK-UHFFFAOYSA-N 359.473 4.813 0 50 FJAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc(-c4ccccc4C)cc3)[C@H]2C1 426490296 ZJFVEDUPUMGRLA-OEMFJLHTSA-N 365.517 4.820 0 50 FJAA CCCC[C@@H]1CN(c2cc(C)c3cccc(OC)c3n2)C[C@H](C2CC2)O1 1529152817 YJGDOIQACKHNPR-YLJYHZDGSA-N 354.494 4.726 0 50 FJAA CC(C)c1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1 639335 LPHWIISNCLEIPV-UHFFFAOYSA-N 368.315 4.790 0 50 FJAA CC(=O)N[C@H](c1ccccc1Cl)c1c(OC(C)=O)ccc2ccccc12 856063 CEGUJPBPRPPKPV-OAQYLSRUSA-N 367.832 4.644 0 50 FJAA Cc1cc(OCC(=O)Nc2ccccc2Br)cc(C)c1Cl 869549 QMYSKZHVXCRSBM-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA Clc1cccc(CSc2ncnn2Cc2cccc(Cl)c2)c1 944822 MNPFQRMBSBNXTA-UHFFFAOYSA-N 350.274 4.926 0 50 FJAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C(C)=O)c1 949064 ZSVCLBLONAPRJB-UHFFFAOYSA-N 362.429 4.975 0 50 FJAA CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 2079709 IWHGVLSZTACGNG-UHFFFAOYSA-N 373.452 4.716 0 50 FJAA CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)C[C@H](c1ccccc1)C2 4912647 WCGBEPDRDNMZIB-QGZVFWFLSA-N 359.425 4.771 0 50 FJAA O=C(COc1ccc2c(-c3ccccc3)noc2c1)OCc1ccccc1 32106626 GLHLGHUMNDXGQZ-UHFFFAOYSA-N 359.381 4.617 0 50 FJAA CCC(=O)N(c1ccccc1)C1CCN(C[C@@H](C)c2ccccc2)CC1 33948625 UXIGUKSHASXDNI-LJQANCHMSA-N 350.506 4.698 0 50 FJAA in-man CCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 239165226 NSMKWGGRWAFJDI-GJEUKYARSA-N 360.501 5.123 0 50 FJAA FC(F)(F)Cn1ccnc1CSCc1cc(-c2ccccc2)no1 437253186 HPUKBKMXYHYBRE-UHFFFAOYSA-N 353.369 4.534 0 50 FJAA CC(=O)Nc1cccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)c1 1054086 CUMXNQGBMKPMSM-UHFFFAOYSA-N 350.443 4.934 0 50 FJAA O=C(COc1ccccc1Cl)Nc1cccc(C(=O)c2ccccc2)c1 1115826 ITTXZVGGQKATQM-UHFFFAOYSA-N 365.816 4.589 0 50 FJAA COc1ccc2ccccc2c1[C@@H]1OC(=O)C(C)(C)C(=O)C12CCCCC2 1139901 QNFBYJCWZFTNFD-IBGZPJMESA-N 366.457 4.992 0 50 FJAA CCOc1ccc2nc(SCC(=O)OCc3ccccc3)sc2c1 1163789 IVIAVIHPNJGMBB-UHFFFAOYSA-N 359.472 4.531 0 50 FJAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccc(Cl)c1 2978864 LRKJRSDMVPNCSF-UHFFFAOYSA-N 356.834 4.906 0 50 FJAA CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2CCC2)cc1 11700906 GXPXOOCOUHRFOC-HSZRJFAPSA-N 374.484 4.841 0 50 FJAA Cc1csc([C@@H](C)N(C)Cc2nc(-c3cc(F)ccc3F)oc2C)n1 12020582 XKGPQAXUGQPJDO-LLVKDONJSA-N 363.433 4.886 0 50 FJAA Cc1ccc(CCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(C)c1 25765234 POFRUIUDHAVFCE-UHFFFAOYSA-N 352.478 4.859 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1C 101698380 AGABDVAOEBUVHP-RVHYNSKXSA-N 361.441 4.797 0 50 FJAA O=C(Nc1ccccc1Cc1cccnc1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 170597724 KGRRQBMBEQPJIT-RTBURBONSA-N 364.395 4.693 0 50 FJAA Cc1ccc(S(=O)(=O)n2cnc(-c3ccccc3)c2-c2ccccc2)cc1 758009 POXDQTVBDQEJEV-UHFFFAOYSA-N 374.465 4.763 0 50 FJAA CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2cccnc2)c(C(C)C)c1 845486 KNTFWXVZBWNDKP-UHFFFAOYSA-N 374.550 4.930 0 50 FJAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 1115885 DRYXNMGPQNYKDM-SECBINFHSA-N 372.621 4.648 0 50 FJAA COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 1121512 PMGJTCOOASYLIO-UHFFFAOYSA-N 373.408 4.905 0 50 FJAA Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C 1167401 JIINVQONXKMLTL-UHFFFAOYSA-N 374.440 4.573 0 50 FJAA Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1 1217711 GFVNFVFLMKPFHJ-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA C[C@H]1CCCCN1C(=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 1460278 YSOVJIPKWXPXHK-AWEZNQCLSA-N 365.864 4.965 0 50 FJAA O=C(CS[C@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 2861658 UWSRESLNHSLMDP-QFIPXVFZSA-N 361.466 4.983 0 50 FJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 4647180 YZBWXUMBVMJAEN-WJTCQHJGSA-N 368.565 4.982 0 50 FJAA CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc3ccccc23)C1 4745063 IVSOCRIDXMJPBC-HSZRJFAPSA-N 372.512 4.710 0 50 FJAA C[C@H](N/C=C(/C(=O)N[C@H](C)c1ccccc1)C(F)(F)F)c1ccccc1 5285709 WQORNXYVQAVJIS-GORVFBIKSA-N 362.395 4.661 0 50 FJAA C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1C(F)(F)F 7058575 NZNRFZLURCRPGG-SNVBAGLBSA-N 365.380 4.701 0 50 FJAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2cccc(OC)c2)s1 8743176 DPMXHFUYKVGULU-MRXNPFEDSA-N 368.462 4.733 0 50 FJAA Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(Cl)ccc12 16667899 VWAXRZFUPYDQEQ-UHFFFAOYSA-N 355.844 4.662 0 50 FJAA CCOCc1ccc(OCc2nc(-c3ccco3)oc2C)c2ncccc12 67677129 OFOPAXZRZYAILG-UHFFFAOYSA-N 364.401 4.907 0 50 FJAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@H]1c1cccc(F)c1 77525302 ZNUOFJRFCNWHBS-SFHVURJKSA-N 355.438 4.645 0 50 FJAA O=C(NC1C[C@H]2[C@H](C1)C2(F)F)N1CC=C(c2cccc3ccccc23)CC1 1347192800 DSFOGWHLCSWVIO-PMACEKPBSA-N 368.427 4.682 0 50 FJAA Cc1ccc2c(C(=O)N(Cc3sccc3C)C3CCCC3)cnn2c1 1772704914 JBMAJAHIKARYJH-UHFFFAOYSA-N 353.491 4.598 0 50 FJAA Clc1cc(Cl)cc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)c1 1857709027 AGGHKNRRVOVTJX-INIZCTEOSA-N 367.276 4.758 0 50 FJAA CC(C)c1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CCCOC1 1875259068 UJCMBFFWASFFJV-KRWDZBQOSA-N 353.462 4.759 0 50 FJAA CC(C)(CNC(=O)c1cc(Cl)ccc1F)c1coc(-c2ccccc2)n1 1875316451 RXVUZHPPZZQGHY-UHFFFAOYSA-N 372.827 4.842 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1C1(C(F)(F)F)N=N1 1875355598 AKDNDCRJUMPYOV-MRXNPFEDSA-N 359.351 4.683 0 50 FJAA O=C(/C=C/c1ccccc1Cl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 943425 GVOGRXPESXVXEJ-DHZHZOJOSA-N 366.800 4.554 0 50 FJAA Cc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)cc1C 2818884 QNTRCCZGGDFCKC-ZHACJKMWSA-N 360.413 4.801 0 50 FJAA CCOc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC 2845010 CVWFAIXLKILHRK-UHFFFAOYSA-N 363.841 4.707 0 50 FJAA O=C(CCc1ccccc1)Oc1c(-c2ccccc2)oc2ccccc2c1=O 2871201 BWUQRJINIUILIE-UHFFFAOYSA-N 370.404 4.998 0 50 FJAA c1ccc(C2=C(c3ccccc3)N=c3ccccc3=c3ccccc3=N2)cc1 4773253 UDZBOPAKQDVWOP-UHFFFAOYSA-N 358.444 4.752 0 50 FJAA COc1ccc2[nH]c(CN[C@@H](C)c3cnn(-c4ccccc4)c3C)c(C)c2c1 11948748 PWGSXMSFTDHPJR-INIZCTEOSA-N 374.488 4.830 0 50 FJAA Cc1cnccc1CNc1nncc(-c2ccc(C3CCCCC3)cc2)n1 12304183 MKAHJGQNTGPVJM-UHFFFAOYSA-N 359.477 4.902 0 50 FJAA COc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)c1 17076343 ZMPYTOKJEGROHV-UHFFFAOYSA-N 372.515 4.777 0 50 FJAA CC(C)n1cc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cn1 63833949 URLJVQXHGRNCPP-INIZCTEOSA-N 362.477 4.694 0 50 FJAA COc1ccc(-c2ccc(-c3nc(CC(C)C)no3)cn2)c2cccnc12 72156351 VIKHLJGVKNJDBS-UHFFFAOYSA-N 360.417 4.554 0 50 FJAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3)c2)C1 91547509 SWCNEWKHFIZEQB-NRFANRHFSA-N 359.473 4.590 0 50 FJAA CCCC[C@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 95366704 CITDMGADSGVAON-SFHVURJKSA-N 357.457 4.868 0 50 FJAA O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]1CCc1ccccc1 135392263 JMVVIJRBQLMALZ-FQEVSTJZSA-N 373.456 4.506 0 50 FJAA CCC(CC)N(C(=O)COc1ccccc1)[C@H]1CCCc2cccnc21 170617617 QFNCPXIRPVQRCU-FQEVSTJZSA-N 352.478 4.555 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1ccccc1 1192974 XAUGNECGBVUAMG-HKWRFOASSA-N 355.393 4.610 0 50 FJAA CC(C)N(C(=O)c1ccc(F)cc1)c1ccc(-n2nc3ccccc3n2)cc1 1432127 KPFJTZIYVMXFGY-UHFFFAOYSA-N 374.419 4.615 0 50 FJAA CC1=CC(C)(C)Nc2ccc(OC(=O)COc3ccccc3Cl)cc21 2317000 JZUYUIRJTQVJEA-UHFFFAOYSA-N 357.837 4.932 0 50 FJAA Cc1nc(NCCc2c(C)[nH]c3ccccc23)c2c3c(sc2n1)CCC3 4686433 CUIPOXYNKCUSFZ-UHFFFAOYSA-N 362.502 4.933 0 50 FJAA O=C(O)c1ccccc1C(=O)O[C@H](c1ccccc1)c1cccc(Cl)c1 4799880 XPUDMIASEFZLDR-LJQANCHMSA-N 366.800 4.985 0 50 FJAA COc1ccc(CN2CCc3ccccc3C2)cc1OCc1ccccc1 4988392 IHBUIWJAMCJHMK-UHFFFAOYSA-N 359.469 4.833 0 50 FJAA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1Cl 8286531 SGOBLUSUTLNIKO-RMKNXTFCSA-N 366.642 4.763 0 50 FJAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1ccncc1)O2 11615971 YAUGIQJKPRYIRP-APWZRJJASA-N 351.793 4.570 0 50 FJAA COC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 11935397 HKGKYAXVKVCKHH-GOSISDBHSA-N 361.489 4.602 0 50 FJAA O=C(CCC(F)(F)F)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 12594290 SIVHDGMBFWRIDB-LJQANCHMSA-N 374.491 4.614 0 50 FJAA Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 16400704 ZNHBWRSMVMIORE-KPAZRMRSSA-N 369.436 4.720 0 50 FJAA Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc(Cl)cc2)n1 16579702 WQSCZIDWGALIDZ-UHFFFAOYSA-N 362.216 4.533 0 50 FJAA Cc1oc(-c2ccoc2)nc1CN1CCC[C@H](c2nc3ccccc3o2)C1 19143419 DVXLAKNXUZPLEI-HNNXBMFYSA-N 363.417 4.764 0 50 FJAA CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 20605651 BVHQLALCRHURGD-UHFFFAOYSA-N 367.808 4.732 0 50 FJAA c1ccc(CN(Cc2ccc(-n3cccn3)cc2)Cc2nccs2)cc1 55383341 SLKRLJZGWSUYBT-UHFFFAOYSA-N 360.486 4.531 0 50 FJAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71575986 WTPZXYPQTZATBW-KRWDZBQOSA-N 350.437 4.792 0 50 FJAA O[C@H]1CCCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 72479299 GZTOGFYTAQAVOV-IBGZPJMESA-N 370.855 4.651 0 50 FJAA O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 100573612 VKFHDXNFINYJJL-NSHDSACASA-N 368.647 4.769 0 50 FJAA CCCCCc1ccc(NC(=O)C(=O)Nc2cccc3cccnc23)cc1 119080538 LHKPHJTWIIQABA-UHFFFAOYSA-N 361.445 4.545 0 50 FJAA Cc1cc(O)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 153925803 JKBQFUNARLKZDC-UHFFFAOYSA-N 369.852 4.915 0 50 FJAA COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(C)=O)c2ccccc12 170615659 WVTOISBAZKIOGD-IBGZPJMESA-N 350.443 4.608 0 50 FJAA 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 257356889 KXWWWRVUYQUXMN-ZOHRDPGRSA-N 360.538 4.878 0 50 FJAA O=C(NCc1cccc(Oc2ccccc2)c1)C1(N2CCCC2)CCCC1 299757438 JNIMVKOLZLDYMJ-UHFFFAOYSA-N 364.489 4.504 0 50 FJAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccn3Cc3cccs3)C2)cc1 470565022 PWGQSSDVECJDBQ-HKUYNNGSSA-N 364.514 4.925 0 50 FJAA O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1csc(Cl)c1 1457979667 AAJHKVXKVQNFBO-UHFFFAOYSA-N 354.822 4.592 0 50 FJAA C=Cc1ccc(-c2nc(CC)nn2-c2cccc(Br)c2)cc1 1875348034 GMWNDGIRGPSFEZ-UHFFFAOYSA-N 354.251 4.902 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C1(C(F)(F)F)N=N1 1875355597 AKDNDCRJUMPYOV-INIZCTEOSA-N 359.351 4.683 0 50 FJAA O=C1OC(c2cccs2)=N/C1=C\c1cccc(OCc2ccccc2)c1 649844 FZGJVPXDPARGCY-AQTBWJFISA-N 361.422 4.672 0 50 FJAA COc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1OC 853355 RRKWDAZQMHHRPD-UHFFFAOYSA-N 355.463 4.637 0 50 FJAA O=c1[nH]c(-c2ccc(-c3ccc(F)cc3)o2)nc2sc3c(c12)CCCC3 1199069 NWKVQQHWXLCHGR-UHFFFAOYSA-N 366.417 4.930 0 50 FJAA O=C(OCc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(F)cc1 1443284 ZLTNMGBBCHHEEC-UHFFFAOYSA-N 358.372 4.793 0 50 FJAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)c(C)c1 2366207 KMNRKIARNDBMKG-UHFFFAOYSA-N 372.425 4.517 0 50 FJAA Cc1cc(C)c(N[C@@H](NC(=O)OC(C)C)C(Cl)(Cl)Cl)c(C)c1 2689722 DQMRULHNXDATKU-ZDUSSCGKSA-N 367.704 4.855 0 50 FJAA O=C(c1ccco1)n1nc(-c2ccccc2)nc1SCc1ccccc1 2841678 PMYQWUXUSNAQIM-UHFFFAOYSA-N 361.426 4.519 0 50 FJAA aggregator CCOc1cccc(OCCOCCOc2ccc(Cl)c(C)c2)c1 2984152 VBXXLYXFHUPBRC-UHFFFAOYSA-N 350.842 4.522 0 50 FJAA COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C 4843281 KEBCXXGYKSZDHV-UHFFFAOYSA-N 373.412 4.768 0 50 FJAA Cn1c(S)nnc1-c1sccc1OCc1ccc(Cl)cc1Cl 5753509 UJJSZCSLQQMCEA-UHFFFAOYSA-N 372.302 4.718 0 50 FJAA O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cccs1 9230996 LASXUFYMOMPSGM-UHFFFAOYSA-N 362.882 4.716 0 50 FJAA CC(=O)c1ccccc1-c1cccc(-c2ccn(Cc3ccncc3)n2)c1 19791326 YXPZDVKMNRPBPK-UHFFFAOYSA-N 353.425 4.863 0 50 FJAA CCc1nc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cs1 71748281 KAIJPVJJLNCBOI-HNNXBMFYSA-N 357.306 4.586 0 50 FJAA C=CC(=O)Nc1cc(NC(=O)[C@H](C)c2ccc3ccccc3c2)ccc1F 136586280 NKRQWHWCDFFWEJ-CQSZACIVSA-N 362.404 4.846 0 50 FJAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH]nc1-c1ccccc1F 170618611 ZHNWLQMWBILLBE-CQSZACIVSA-N 367.424 4.747 0 50 FJAA O=C1[C@H](c2ccccc2)c2ccccc2N1N1CCC[C@H]1c1ccccc1 257359278 ZJCDYCYJCMBPGC-JTHBVZDNSA-N 354.453 4.917 0 50 FJAA Cc1cc(C)nc(-c2ccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2)c1 534630538 SHMCEJPRMXUWGZ-HSZRJFAPSA-N 374.484 4.561 0 50 FJAA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(-c2ccccc2)nc2ccccc12 765267978 XGYOEBYMZHSLEW-JPYJTQIMSA-N 372.468 4.589 0 50 FJAA C[C@H](NC(=O)CC(C)(C)C)c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1875262830 PBGSAGFSCXJDEI-HNNXBMFYSA-N 358.526 4.625 0 50 FJAA CC1(C)C(=O)Nc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc21 2325824256 WETCYZAOZVNIQL-UHFFFAOYSA-N 353.422 4.923 0 50 FJAA Cc1ncc2c(n1)[C@]1(CCCN(c3nc4ccc(Cl)cc4s3)C1)CC2 2356156638 LHCBLZVXBBWYJL-LJQANCHMSA-N 370.909 4.533 0 50 FJAA Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c(C)c1 2878321 ORIAVGXHDCVQDO-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA FC(F)(F)CCSc1ccccc1Nc1nc(Cl)nc(Cl)n1 3151714 XAYPRUHGDLWFEJ-UHFFFAOYSA-N 369.199 4.967 0 50 FJAA C/C(=C\COc1cc(=O)[nH]c2ccccc12)CC[C@H]1OC(C)(C)OC1(C)C 4597005 KSRUHPZOGHKBJG-LBKOFNPBSA-N 371.477 4.564 0 50 FJAA biogenic O=[S@](CCSc1nc2ccccc2s1)Cc1ccc(Cl)cc1 4978131 BDHSTLIHLRUAMP-QFIPXVFZSA-N 367.948 4.991 0 50 FJAA CCOc1cc(CNCc2cccnc2)ccc1OCc1ccc(C)cc1 4999707 RDRVLSRZILNVFH-UHFFFAOYSA-N 362.473 4.658 0 50 FJAA O=C(Nc1ccc(Br)cn1)c1ccc(-c2ccccc2)cc1 13281337 QDXIXYCEOBQITN-UHFFFAOYSA-N 353.219 4.763 0 50 FJAA COc1ccc(NC(=S)Nc2cc(-c3ccccc3)n[nH]2)cc1Cl 13483414 KWHRVNJXXFGXLL-UHFFFAOYSA-N 358.854 4.548 0 50 FJAA c1ccc(-c2ncn(CCc3c[nH]c4ccccc34)c2[C@@H]2CCOC2)cc1 67473345 WELYISUTOKNSAR-LJQANCHMSA-N 357.457 4.778 0 50 FJAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)c1C 71745564 BEAAJRAVDAYRSV-IBGZPJMESA-N 366.505 4.628 0 50 FJAA Cc1ccc2nc(C)cc(C(=O)N(C)Cc3c[nH]nc3-c3ccccc3)c2c1 77287087 DPYWHSJBBKLSIG-UHFFFAOYSA-N 370.456 4.514 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)c(C)c2c1 91906652 FWHLSUZRIRMZEY-LJQANCHMSA-N 372.472 4.947 0 50 FJAA Cc1nc(C)c(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)o1 92097140 YAPCJISPLCQPAZ-UHFFFAOYSA-N 360.457 4.514 0 50 FJAA CC[C@H](C(=O)CCC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1 100721986 HZCDSUDBSKMJHK-QGZVFWFLSA-N 357.837 4.537 0 50 FJAA O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169295807 ZTRBOBVGGNZMJG-LHRGIAPCSA-N 358.485 4.875 0 50 FJAA O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(C(F)(F)F)cn1 253414091 WLPNYFOKNVJEMX-MRXNPFEDSA-N 359.351 4.520 0 50 FJAA COc1ccc(N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)cc1 302602690 OYXLARXBULQLQB-UHFFFAOYSA-N 370.452 4.952 0 50 FJAA CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 452534411 ZHLAKFKHADGKJT-LRDDRELGSA-N 360.445 4.550 0 50 FJAA CO[C@H]1Cc2ccc(NC(=O)N3CCc4ccccc4[C@@H]3C(C)C)cc2C1 752928019 BQURRVMWGMGICQ-UNMCSNQZSA-N 364.489 4.588 0 50 FJAA CCc1cc2c(N[C@H](C)c3cccc(-n4ccnc4)c3)nc(C)nc2s1 1875321441 IOWSCWZJCSPMQE-CYBMUJFWSA-N 363.490 4.921 0 50 FJAA Cc1cc([C@@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)cs1 1875338958 QYXCFWVDAJKWRB-OAHLLOKOSA-N 351.475 4.555 0 50 FJAA CCCOc1cccc2c(N[C@H]3CCc4cnn(C(C)C)c4C3)ccnc12 2325825186 ICYGOGRNVFXNEB-KRWDZBQOSA-N 364.493 4.770 0 50 FJAA Cc1oc2ccc(OCc3cccc(Br)c3)cc2c1C(=O)O 623912 MHCAJMYMPCSIRY-UHFFFAOYSA-N 361.191 4.781 0 50 FJAA Cc1c(OC(=O)c2ccc(F)cc2)cccc1OC(=O)c1ccc(F)cc1 725105 RSVDLZLTQHPLLK-UHFFFAOYSA-N 368.335 4.712 0 50 FJAA C[C@@H]1CN=C(N(CCc2ccccc2)C(=O)Nc2cccc(Cl)c2)S1 1044142 NKDGCNRHUXDIMR-CQSZACIVSA-N 373.909 4.908 0 50 FJAA Cc1nnc(SCc2ccc(C(=O)Nc3ccccc3F)cc2)s1 1114342 SFEVJWWQTILLFV-UHFFFAOYSA-N 359.451 4.530 0 50 FJAA CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1ccccc1 1124454 YVUWUCAHAQZZQZ-NRFANRHFSA-N 351.421 4.989 0 50 FJAA COc1ccccc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3 1155602 HVWGGOYETRAOGC-UHFFFAOYSA-N 350.414 4.568 0 50 FJAA biogenic Cc1ccc(C)c(OCc2cc(C(=O)N[C@H](C)c3ccc(F)cc3)no2)c1 14964404 GMQUEABZCKOKFQ-OAHLLOKOSA-N 368.408 4.501 0 50 FJAA CC(C)N(C(=O)c1ccccc1-c1ccc(CN2CCCC2)cn1)C(C)C 97813766 TYUJFKHDZJFSPA-UHFFFAOYSA-N 365.521 4.603 0 50 FJAA FC(F)(F)c1nc(-c2ccc(-c3nc(-c4ccsc4)no3)cc2)no1 170623545 CKWAZBWSCYABLU-UHFFFAOYSA-N 364.308 4.534 0 50 FJAA COc1ccccc1N=c1nc(-c2ccccc2)n(-c2ccccc2)s1 245228840 GTVRNRZHFCEDCV-UHFFFAOYSA-N 359.454 4.842 0 50 FJAA O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CC[C@@H]2CCC[C@H]21 333443330 MGOHCICCVHEFCY-BLLLJJGKSA-N 359.376 4.558 0 50 FJAA CCOC1(c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)CCCC1 809264074 HGBIHHNEBZIVSC-UHFFFAOYSA-N 370.371 4.621 0 50 FJAA CN(CC[C@@H]1CCc2ccccc21)C[C@@H](O)c1cccc(Br)c1 1460238528 QMTZLPHDIXWDLO-OXJNMPFZSA-N 374.322 4.534 0 50 FJAA CCc1ccc(-c2n[nH]c(SC[C@](C)(OC)c3ccccc3)n2)cc1 1875278168 FXLFZYHGCMPSHT-FQEVSTJZSA-N 353.491 4.688 0 50 FJAA O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 725823 WQMIDUDMZDBOJB-UHFFFAOYSA-N 371.017 4.557 0 50 FJAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 987105 RKXASYGJLKILOC-QGZVFWFLSA-N 364.489 4.665 0 50 FJAA biogenic CCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2ccc(OC)cc2)s1 1113897 ADWKRDQBQFGPEB-UHFFFAOYSA-N 373.865 4.534 0 50 FJAA NC1=N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 1273000 PHFAMCRUQQSHQC-FPOVZHCZSA-N 358.466 4.708 0 50 FJAA Cc1nc2cccc(C(=O)NCCc3c(C)[nH]c4c(Cl)cccc34)c2o1 1420956 VCHPFXXUSIVQNR-UHFFFAOYSA-N 367.836 4.552 0 50 FJAA Cc1ccccc1Cn1cc(NC(=O)Nc2cccc(Cl)c2C)cn1 2856232 CIOURFASPYMVEY-UHFFFAOYSA-N 354.841 4.846 0 50 FJAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1 2860824 SHXLOXLUOWNKHP-UHFFFAOYSA-N 361.854 4.502 0 50 FJAA CN(Cc1cccnc1)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl 12075257 LNUMSEAXCLNCSJ-FQEVSTJZSA-N 364.876 4.916 0 50 FJAA Cc1ccccc1-c1cn2c(C(=O)N(C)C(C3CC3)C3CC3)csc2n1 12314118 MKEZPHNQDFPFEV-UHFFFAOYSA-N 365.502 4.632 0 50 FJAA O=C(CCC1CCN(C2CCSCC2)CC1)Nc1ccccc1Cl 12588965 VDMWADZGHODMQV-UHFFFAOYSA-N 366.958 4.666 0 50 FJAA COCC1CCN(C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 12717798 QWQFJUQEHLGPLO-NRFANRHFSA-N 371.908 4.747 0 50 FJAA Cc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1 13591098 FQQWOLQOVOTOCC-PXLXIMEGSA-N 368.436 4.943 0 50 FJAA C[C@@]12CC3CC(C(=O)Nc4ccc(Br)cn4)(C1)C[C@](C)(C3)C2 18166244 AZDUVMNPPOBBBU-FGKMVVGBSA-N 363.299 4.779 0 50 FJAA COc1ccc(CCN(Cc2ccccc2)Cc2ccccc2)cc1OC 35271407 STZANEALKZBIMI-UHFFFAOYSA-N 361.485 4.949 0 50 FJAA CCc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)o1 42972184 HCIFUPJZSKNYMQ-AWEZNQCLSA-N 371.431 4.890 0 50 FJAA Cc1ccc2c(C(=O)N3[C@@H](C)CCC[C@H]3C)cc(-c3cncnc3)nc2c1C 63834498 KNFUCNYHONCVBU-IYBDPMFKSA-N 374.488 4.712 0 50 FJAA Cc1ccccc1CNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 238791234 HNFCMRKKWDPNKF-GOSISDBHSA-N 357.453 4.646 0 50 FJAA O=C1CCCN1c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325720320 BJWHHYCEVUGRMK-UHFFFAOYSA-N 353.422 4.820 0 50 FJAA CCOC(=O)c1cnc2ccccc2c1Nc1cc(Cl)ccc1OC 953619 QEAKQBNOADYPLY-UHFFFAOYSA-N 356.809 4.817 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Br 1157913 ARAKPXGKYOEAIF-UHFFFAOYSA-N 372.621 4.893 0 50 FJAA Cc1cc(OCc2nc(-c3ccc(Br)o3)no2)ccc1Cl 1444222 VMAKTOFMYXYGFO-UHFFFAOYSA-N 369.602 4.633 0 50 FJAA CCN(CC)CCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 2955639 FCYAXEHBEOWRNC-UHFFFAOYSA-N 366.896 4.951 0 50 FJAA O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1 5063765 ASGKCBWRWSWSLV-UHFFFAOYSA-N 360.438 4.573 0 50 FJAA CCCCC(=O)N[C@@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 5458223 CWHAIDAGVIHIBV-LBPRGKRZSA-N 359.080 4.722 0 50 FJAA Cc1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C 6402783 MDTRWDNMSXJRJF-UHFFFAOYSA-N 350.418 4.740 0 50 FJAA O=c1cc(O)c2sc3nc(-c4ccc(F)cc4)cc(C(F)F)c3c2[nH]1 12374692 CFTYWPXROQIKKT-UHFFFAOYSA-N 362.332 4.587 0 50 FJAA CC(C)c1cc(NCc2cc(-c3ccccc3Cl)no2)n2nccc2n1 72433368 HFSYJZFJCUMMAQ-UHFFFAOYSA-N 367.840 4.773 0 50 FJAA CN(C(=O)Cc1c(F)cccc1Cl)c1nc2cc(Cl)ccc2s1 225509428 VGJJKFHXLDSBHE-UHFFFAOYSA-N 369.248 4.948 0 50 FJAA CC(C)N(C)c1ccc(NC(=O)N2CCS[C@H]3CCCC[C@H]32)cc1F 230126951 HLVQLZJRZVGRLA-MSOLQXFVSA-N 365.518 4.562 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cc(F)ccc1F)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 247351428 CHVWEFCXKUCBPM-RKJZQPHBSA-N 355.384 4.960 0 50 FJAA CN(C(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1)[C@H]1CCOC(C)(C)C1 426521194 HVDYTYKHJJJPQL-KRWDZBQOSA-N 373.880 4.742 0 50 FJAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@@H]2CCC[C@H]21 429979107 ZGKWZUKZDDFXSY-JXHRLWIKSA-N 373.500 4.884 0 50 FJAA Cc1nn(C)c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1-c1ccccc1 1875303626 GBVFIUNTBQECDQ-LBPRGKRZSA-N 370.403 4.556 0 50 FJAA O=C(OCc1nc2c(F)cccc2o1)[C@H]1CCC[C@@H]1Cc1ccccc1 1875342993 BYHLDWNVTYYCPP-CVEARBPZSA-N 353.393 4.669 0 50 FJAA COc1ccccc1NC(=O)c1ccccc1NC(=O)CCc1ccccc1 645876 UJBGHUBUAORXCA-UHFFFAOYSA-N 374.440 4.519 0 50 FJAA CCc1cc(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12 949222 XAODUWVOSLXOOK-UHFFFAOYSA-N 372.804 4.625 0 50 FJAA C[C@@H](NC(=O)c1ccccc1Br)C1C2CC3CC(C2)CC1C3 1049461 GQPKFYXSJUCCOQ-NSVFZLEXSA-N 362.311 4.640 0 50 FJAA Cc1cccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NC[C@H](C)S2)n1 1059869 JMULMBIABYMCRJ-LBPRGKRZSA-N 360.870 4.573 0 50 FJAA O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 1115092 FNFWMSRFIDXYKV-UHFFFAOYSA-N 369.679 4.609 0 50 FJAA COc1ccccc1[C@@H](CCN(Cc1ccccc1)C(C)=O)c1ccco1 1322143 LTDRKXAONKOYBC-OAQYLSRUSA-N 363.457 4.859 0 50 FJAA biogenic Cc1ccc(N(Cc2ccccc2)C(=O)c2cc3ccccc3oc2=O)cc1 4991052 AZYUWZTUWPXSAN-UHFFFAOYSA-N 369.420 4.948 0 50 FJAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 6966313 CZZHCLLGFHEOEO-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA CSc1ncccc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11665274 LYJIMIKPCOQMPW-SFHVURJKSA-N 369.534 4.644 0 50 FJAA C[C@H](NC(=O)c1cc(Cc2ccc(F)cc2)no1)c1ccc(Cl)cc1 11998802 RZKMFBSDVUFBJJ-LBPRGKRZSA-N 358.800 4.549 0 50 FJAA CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 12138623 SLJXRIJAKQWTKR-UHFFFAOYSA-N 354.450 4.568 0 50 FJAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)c1 14968495 YUGMHJATZKEZGW-FQEVSTJZSA-N 369.505 4.786 0 50 FJAA Fc1cccc(-c2cccc(N3CCC(NCc4ccncc4)CC3)c2)c1 20915791 HMHDMJCIAFKYIR-UHFFFAOYSA-N 361.464 4.646 0 50 FJAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CC12CCCC2 67447293 LQRADPLOPPAHSV-GOSISDBHSA-N 350.462 4.687 0 50 FJAA FC(F)(F)c1ccc(CN2CCC[C@H](c3nccn3CC3CC3)C2)cc1 82125876 VVYFYMXJMNSKDH-KRWDZBQOSA-N 363.427 4.692 0 50 FJAA COc1cccc2c(C)cc(N3CCC[C@H](c4nccn4C(C)C)C3)nc12 95374751 HMHYKDUVLYDRCG-KRWDZBQOSA-N 364.493 4.713 0 50 FJAA CC(C)c1noc([C@@H]2CCCCN2Cc2coc(-c3ccccc3)n2)n1 97717168 LQNHUJIOFOEXAX-KRWDZBQOSA-N 352.438 4.575 0 50 FJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 247964744 GYKROQWGSBMGEA-IFMALSPDSA-N 362.517 4.741 0 50 FJAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C[C@@H]1C[C@H]2C=C[C@H]1C2 252540585 POOQSCRGWGGCAC-BPUTZDHNSA-N 363.486 4.584 0 50 FJAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)C1 426491349 CPMJSSPCIKZEIN-OAHLLOKOSA-N 364.272 4.911 0 50 FJAA CP(C)(=O)c1ccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1 931314931 IZBMTBXXFTYXQH-UHFFFAOYSA-N 371.392 4.546 0 50 FJAA O=C(OCc1nc2c(F)cccc2o1)[C@H]1CCC[C@H]1Cc1ccccc1 1875342994 BYHLDWNVTYYCPP-HOTGVXAUSA-N 353.393 4.669 0 50 FJAA Cc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1Cl 1218590 DFSYEPHLYRRNEO-UHFFFAOYSA-N 368.849 4.696 0 50 FJAA COc1ccc(CNCC[C@@H](c2ccccc2)c2ccco2)cc1OC 1795595 KLMDJZOUXBMXPS-IBGZPJMESA-N 351.446 4.609 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc([C@@H](C)c3ccccc3)s2)cc1 2223828 KOTWFFRVVDAGNU-ZDUSSCGKSA-N 368.462 4.733 0 50 FJAA CC(=O)c1cccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 12572090 HYOJDFKTIFXSFW-CYBMUJFWSA-N 369.415 4.512 0 50 FJAA CSCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 12596012 PLHNCHJWMSNLGB-UHFFFAOYSA-N 373.472 4.579 0 50 FJAA O=C(/C=C/c1cccs1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 12713446 ITZXFGPHAVLXDK-CZQLGGELSA-N 372.578 4.656 0 50 FJAA COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCCCCC3)cc1OC 17076512 VVXSAZUMAXINGF-CQSZACIVSA-N 373.518 4.915 0 50 FJAA COC[C@@H]1CCN(C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)C1 19145319 DIAVIOCZVDKVHY-HXUWFJFHSA-N 364.533 4.599 0 50 FJAA CCOCCn1cnc(-c2ccccc2)c1-c1cnc2cc(O)ccc2c1 65434821 QZTPQNNASOCTQN-UHFFFAOYSA-N 359.429 4.507 0 50 FJAA Cc1conc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 123730062 YFWYLSQWPNJHAE-UHFFFAOYSA-N 363.392 4.842 0 50 FJAA Cc1ncc(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)c(-c2ccccc2)n1 215382486 UQGVXONGXQJOFD-MRXNPFEDSA-N 363.461 4.732 0 50 FJAA CCn1c(C)cc2cc(NC(=O)N3CCC(c4ccncc4)CC3)ccc21 299777793 OYBXOCOTGWJFPJ-UHFFFAOYSA-N 362.477 4.776 0 50 FJAA O=C(Nc1cccc(-c2cnco2)c1)c1ccc(F)c(COCC2CC2)c1 1875260762 SCYTUFBGMNCYCE-UHFFFAOYSA-N 366.392 4.660 0 50 FJAA CC1(Cc2ccccc2)CN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 1875262783 TZQZRGJDVVALFH-UHFFFAOYSA-N 358.441 4.579 0 50 FJAA CO[C@]1(c2cccc(Cl)c2)CCCN(c2cncc3ccccc23)C1=O 2325820668 YZGBUNKDXWNRHI-NRFANRHFSA-N 366.848 4.557 0 50 FJAA CCc1sc(C(=O)OCc2scnc2Cl)cc1Br 2325874506 PCGJJWNJTXYDOX-UHFFFAOYSA-N 366.689 4.540 0 50 FJAA Cc1c(CC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 4043994 ZGJRIPYPWSYVCH-UHFFFAOYSA-N 366.344 4.589 0 50 FJAA biogenic CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccc(Cl)cc1 4813672 JHSUXLZQFXLRRM-UHFFFAOYSA-N 373.865 4.609 0 50 FJAA Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1 4845071 DQYSNTTXXFVILZ-CCEZHUSRSA-N 356.425 4.899 0 50 FJAA COc1ccccc1CN1CCC[C@@H](C(=O)c2ccccc2SC)C1 11872904 RSAONVIUHFBLSA-QGZVFWFLSA-N 355.503 4.512 0 50 FJAA CC(C)CCN1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 12434563 DAAKEJXZGLPYJD-UHFFFAOYSA-N 367.493 4.571 0 50 FJAA O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 13151808 ZUXHVMXOTOYINI-UTKZUKDTSA-N 360.438 4.501 0 50 FJAA O=C(NCCOc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 19809304 GJGLIXMDXUAJFA-UHFFFAOYSA-N 350.201 4.548 0 50 FJAA S=C(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19842686 CICPQHDQKSQEKO-UHFFFAOYSA-N 372.537 4.769 0 50 FJAA COc1ccccc1N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 55543690 LCXPGDOUMIOKCS-UHFFFAOYSA-N 374.484 4.810 0 50 FJAA CSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 77392081 VCUKFUXZZHNCJO-QGZVFWFLSA-N 366.490 4.664 0 50 FJAA Cc1cccc(Cl)c1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 132275396 KHXMULAAOAAINK-IBGZPJMESA-N 372.852 4.692 0 50 FJAA Cn1c(=O)cc([C@@H]2O[C@@H]3CCCC[C@H]3c3sccc32)c2ccccc21 245226264 MZUCILPNLOGHPD-LXGCGDOSSA-N 351.471 4.746 0 50 FJAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(-c2ccccc2)nc2ccccc12 765267976 XGYOEBYMZHSLEW-FDDCHVKYSA-N 372.468 4.589 0 50 FJAA Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)C(CC(C)C)CC(C)C 1875342965 BFHLXMVYUOABQC-GOSISDBHSA-N 355.526 4.870 0 50 FJAA O=C(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccco1 1077688 UOOOQUMZFKOLEU-UHFFFAOYSA-N 366.756 4.926 0 50 FJAA biogenic CCOc1ccccc1NC(=O)c1cc(Br)ccc1Cl 1116175 YNAXBVKSKJYJPG-UHFFFAOYSA-N 354.631 4.754 0 50 FJAA CCOc1ccc2nc(SCCC(=O)Nc3ccccc3)sc2c1 1174964 QQBRRHIYESKCNH-UHFFFAOYSA-N 358.488 4.816 0 50 FJAA O=C1c2ccccc2C(=O)N1c1nc(-c2cccc3ccccc23)cs1 2867426 AMBXDXZMTMSUTC-UHFFFAOYSA-N 356.406 4.764 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2cccc(Br)c2C)cc1C 8301334 DTUPIXLXPKRGIN-CSKARUKUSA-N 360.251 4.726 0 50 FJAA COc1ccc([C@@]2(CCNCc3ccccc3)CCOC(C)(C)C2)cc1 12384394 GXKOSANWZUHEGJ-QHCPKHFHSA-N 353.506 4.702 0 50 FJAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 12596379 HPEUSQYOVIGOPH-DVQDXYAYSA-N 371.839 4.614 0 50 FJAA CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@@H]1C 13574134 XVMYIMXBHZVAHC-PARPOCPVSA-N 369.505 4.647 0 50 FJAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)on2)cc1 21791063 NLRSMLRGEQCDJV-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA Cc1ccccc1-c1cccc(N2CCC(NC[C@@H]3CCCOC3)CC2)c1 23368111 HKAULDVXNZREEO-FQEVSTJZSA-N 364.533 4.647 0 50 FJAA CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 39319157 ZSYJRRQUQLNWGN-UHFFFAOYSA-N 350.205 4.521 0 50 FJAA Cc1ccc2oc(C(=O)N3CCCC[C@H]3CCn3ccnc3C)c(C)c2c1 77343518 QCAYBLLBUVJYGC-SFHVURJKSA-N 365.477 4.640 0 50 FJAA c1ccc(Cn2ccnc2[C@H]2CCCN(c3ccc4ccccc4n3)C2)cc1 82134241 VNHIIGZWHPYZBQ-NRFANRHFSA-N 368.484 4.864 0 50 FJAA C[C@@H]1CC(C)(C)c2c(F)ccc(NC(=O)c3cn(C)nc3C(F)F)c21 141887300 XCGBHLLWJZOLEM-SECBINFHSA-N 351.372 4.534 0 50 FJAA Cc1ccc(Cl)c2ccc(NC(=O)N[C@H](c3nccs3)C3CC3)nc12 170593132 WKNQVIOSMLBSEH-INIZCTEOSA-N 372.881 4.926 0 50 FJAA COc1cc(-c2ccc(C(F)(F)F)cc2)nc(NC2CCCCC2)n1 936069054 XZQPKRXLQDGSLD-UHFFFAOYSA-N 351.372 4.916 0 50 FJAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NC[C@H]1CCC2(CCC2)[C@H]1O 1875342707 DKQGAHIPHPEPGC-NCWZLXQNSA-N 361.570 4.677 0 50 FJAA Cc1ccc(-c2nc(C(=O)O[C@H]3CCC[C@@H]3c3cccnc3)cs2)o1 2325743026 VJOWNGVPEHSHTJ-ZBFHGGJFSA-N 354.431 4.600 0 50 FJAA O=S(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O 608214 RPAJWWXZIQJVJF-UHFFFAOYSA-N 372.056 4.878 0 50 FJAA in-man Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccco3)cc12 695877 XGPHGTSBJBRRFU-UHFFFAOYSA-N 358.441 4.829 0 50 FJAA aggregator COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1Cl 1777414 AAHIHNXHDWHSQE-UHFFFAOYSA-N 354.233 4.800 0 50 FJAA O=C(NCc1ccc(Cl)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 2085557 YPTMIARJWUGOBB-UHFFFAOYSA-N 370.104 4.619 0 50 FJAA O=C(O)Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2386089 YRZJNRXNEUSRLW-UHFFFAOYSA-N 373.408 4.675 0 50 FJAA in-vitro CCCC(=O)N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 2667181 SNRFHSOCOUZTFJ-HNNXBMFYSA-N 359.684 4.864 0 50 FJAA CCn1nc(C)c2c(C(F)(F)Cl)cc(-c3ccc(OC)cc3)nc21 2732620 PQROUNSFIIMQRV-UHFFFAOYSA-N 351.784 4.723 0 50 FJAA COc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)oc1ccccc12 3661948 QADDIITVKZLKJF-UHFFFAOYSA-N 371.389 4.535 0 50 FJAA COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1 3893194 XAUPVHSAPIALPD-OAQYLSRUSA-N 356.425 4.687 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1Br 4542016 BGYKBOLQVMFPCN-UHFFFAOYSA-N 350.159 4.782 0 50 FJAA CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 5127547 NOYHAZNPSRDERO-UHFFFAOYSA-N 359.385 4.541 0 50 FJAA O=C(Nc1ccc2c(c1)COc1ccccc1O2)c1c(F)cccc1F 6668566 CXDUFVLGCBUNFH-UHFFFAOYSA-N 353.324 4.902 0 50 FJAA Cc1ccsc1CN(Cc1ccccn1)Cc1cc(C(C)(C)C)[nH]n1 55120026 RZUZWBFMFZQUAN-UHFFFAOYSA-N 354.523 4.675 0 50 FJAA COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(Cl)ccc3O)ccc21 170621119 VQVVAJRDTBUIFW-UHFFFAOYSA-N 372.852 4.516 0 50 FJAA CC1(C)C[C@]1(C(=O)NCCSCc1ccccc1)c1ccc(F)cc1 216165104 NCNMIAZUJBJLCK-OAQYLSRUSA-N 357.494 4.543 0 50 FJAA Cc1ccc(F)c(C(=O)Nc2nnc(SCC(C)C)s2)c1Cl 2356164030 BKLKZUXYBDTYAB-UHFFFAOYSA-N 359.879 4.639 0 50 FJAA COc1cc(OC)c(NC(=O)Oc2ccc(F)cc2Cl)cc1Cl 641592 RTCVWQWOJNUWAX-UHFFFAOYSA-N 360.168 4.761 0 50 FJAA CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)cc1 702536 JWVSXKVFSSHJGL-UHFFFAOYSA-N 372.515 4.508 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1Br 943492 NSOTVYMVDWINMC-VQHVLOKHSA-N 360.251 4.726 0 50 FJAA Cn1c(SCc2ccc(F)c3ccccc23)nc2ccccc2c1=O 1064426 KMNATZIEDGNSAS-UHFFFAOYSA-N 350.418 4.518 0 50 FJAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Br)cc1 1214296 AGQYUOMNMCLQOF-JQWIXIFHSA-N 363.082 4.979 0 50 FJAA O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)C(Cl)(Cl)Cl)cc1 3122337 RLIYWCYKKUIBDP-UHFFFAOYSA-N 373.619 4.585 0 50 FJAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 4511311 RKEWOVBZUKDYNC-VIFPVBQESA-N 368.264 4.599 0 50 FJAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OC(C)C)CC(=O)N2 4986646 XOTCGYLRXKJSNY-MRXNPFEDSA-N 369.461 4.745 0 50 FJAA Cc1cccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 6967676 GIJDHDZAJPTXNC-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA FC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2Cl)CC1 19781697 CNZNMNYXNCCLNK-UHFFFAOYSA-N 368.830 4.677 0 50 FJAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)cc1 21525314 PAMUOUFFORZTDO-IBGZPJMESA-N 350.393 4.766 0 50 FJAA CC[C@H](C)Oc1ccc(CNCc2nnc(-c3ccccc3)o2)cc1Cl 55166323 ZHQGQALBFJCFFS-AWEZNQCLSA-N 371.868 4.857 0 50 FJAA CC(C)(C)OC(=O)N1CCC[C@H](c2cc(C(C)(C)C)ccc2C(=O)O)C1 72233814 IDDNJWPJGGNMBM-AWEZNQCLSA-N 361.482 4.797 0 50 FJAA Cc1cccc2cc(CO)c(-c3cc(NC4CCCC4)nc4[nH]ccc34)nc12 72410453 ATDNBYWJQJJJTR-UHFFFAOYSA-N 372.472 4.933 0 50 FJAA CCn1nc(CC(C)C)cc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 91663424 JPCDUIKVKBLIPS-LJQANCHMSA-N 357.473 4.608 0 50 FJAA CN1CCOc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc21 175078836 FKJGQDBUQOGUTH-QGZVFWFLSA-N 371.868 4.538 0 50 FJAA CC(C)(CO)[C@H](CN[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 242147541 WSNXKPNHQJYBFB-QZTJIDSGSA-N 351.412 4.682 0 50 FJAA CN(CCCN1CCCCCC1)Cc1ccc([C@H]2CCCCO2)s1 952864379 YPVZNCVWIRZLEP-LJQANCHMSA-N 350.572 4.688 0 50 FJAA Clc1ccc2nc(N3CCC[C@@H](OCc4ccccn4)C3)sc2c1 1506398163 MCBLQHQFQGBNRF-OAHLLOKOSA-N 359.882 4.530 0 50 FJAA O=C(CN1CC[C@H]2CCCC[C@@H]21)Nc1ccccc1Oc1ccccc1 1875258201 PPUHJILOGWNGTL-XLIONFOSSA-N 350.462 4.682 0 50 FJAA CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C1CCC1 672907 KIYABYHYDFYOFD-UHFFFAOYSA-N 373.474 4.729 0 50 FJAA CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C 706794 VLYLPSOGMQFDSH-UHFFFAOYSA-N 362.303 4.713 0 50 FJAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)o1 830134 XGYZVKRLSDCLNC-UHFFFAOYSA-N 354.203 4.866 0 50 FJAA aggregator Oc1cc2ccccc2cc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 835668 ZGXJZVQZFJPZSL-UHFFFAOYSA-N 372.453 4.744 0 50 FJAA CCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 1134315 GJVAIPDJGFDQGE-OAHLLOKOSA-N 350.414 4.622 0 50 FJAA biogenic COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1c(F)cccc1Cl 1397650 LBUNFDUXLKICFY-GFCCVEGCSA-N 355.192 4.662 0 50 FJAA O=C1CC[C@H](CCNCc2cccc(C(F)(F)F)c2)N1C1CCCCC1 12034421 IKHUMNJVPYDCOH-GOSISDBHSA-N 368.443 4.509 0 50 FJAA C[C@H](c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)N1CCCC1 72161382 JKBIPLYZIKMACN-OAHLLOKOSA-N 360.461 4.833 0 50 FJAA CC[C@@H](C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C)c1c(C)noc1C 331078007 WLGONJFHXOLTLO-DZGCQCFKSA-N 363.527 4.893 0 50 FJAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc2nc(C)n(C)c2c1 332114362 UQZVXDMXDKSMDK-CYBMUJFWSA-N 370.522 4.603 0 50 FJAA Cc1nc([C@H](C)NC(=O)N(Cc2cccs2)CC(C)C)c(C)s1 426420082 NDKYJNLMBLBTNL-LBPRGKRZSA-N 351.541 4.750 0 50 FJAA C[C@@H](COCC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 1467463932 OTFSZOPDJZQLIF-QSFXBCCZSA-N 357.881 4.523 0 50 FJAA c1csc(CC[C@H]2CCCCN2Cc2cc(-c3ccncc3)no2)c1 1529126356 FZHZJFANIXWNJK-QGZVFWFLSA-N 353.491 4.785 0 50 FJAA Cc1c(C(=O)N[C@H](C)CC(=O)c2cccs2)[nH]c2cc(Cl)ccc12 1875310418 PCDJCYXOSIAAJO-SNVBAGLBSA-N 360.866 4.583 0 50 FJAA O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1cccc2nsnc12 2325852603 MITJTFZBVPEBSI-UHFFFAOYSA-N 374.421 4.877 0 50 FJAA CCOc1ccccc1-c1cc(C(=O)NC2CCCC2)c2ccccc2n1 685942 GFSFGSVMAPYJLQ-UHFFFAOYSA-N 360.457 4.973 0 50 FJAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 759621 YGUAAIYZYQDTNU-UHFFFAOYSA-N 357.397 4.804 0 50 FJAA COc1ccc(Cl)cc1NC(=O)N1CCC(Cc2ccccc2)CC1 1121909 XIQUQZGKISEXEP-UHFFFAOYSA-N 358.869 4.835 0 50 FJAA Clc1ccc(OCc2nc(-c3ccccc3)no2)c(Br)c1 1212924 XPHJKLVUCAWMLX-UHFFFAOYSA-N 365.614 4.732 0 50 FJAA O=C1C[C@H](c2ccc(-c3ccccc3)cc2)c2cc3c(cc2N1)OCCO3 1461067 MNXZWKYOQVQKGL-GOSISDBHSA-N 357.409 4.599 0 50 FJAA Cc1cccc(OCCCC(=O)Nc2ccc(C)cc2Br)c1 1773794 DZQNWOTUPMLRIV-UHFFFAOYSA-N 362.267 4.864 0 50 FJAA CC(C)(C)OC(=O)n1cc(C=O)c2ccc(OCc3ccccc3)cc21 2563726 BIGAKQBLDWFYEU-UHFFFAOYSA-N 351.402 4.816 0 50 FJAA COc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 2868711 SJMZTWPXAFKAPM-UHFFFAOYSA-N 371.396 4.665 0 50 FJAA CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccccc3OCC)c12 4810868 VFKDTPHFPWFXDY-UHFFFAOYSA-N 366.413 4.672 0 50 FJAA Cc1ccc(CSCc2nnc(S)n2-c2ccc(F)cc2F)cc1 6400768 RKACECFLPCQHGN-UHFFFAOYSA-N 363.458 4.576 0 50 FJAA CSc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19782015 XWKMOTFEZMVVPW-UHFFFAOYSA-N 362.542 4.880 0 50 FJAA Fc1cccc(-c2noc3c2CN(CCc2c[nH]c4ccccc24)CC3)c1 67758928 BGIOXZKRANFGIZ-UHFFFAOYSA-N 361.420 4.563 0 50 FJAA Cc1cc([C@@H](C)OC(=O)CCCOc2cccc(Cl)c2Cl)no1 225855831 KDDXWWFVVYXARC-LLVKDONJSA-N 358.221 4.753 0 50 FJAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 239121231 JNSHLLYGGNDDOC-MBZVMHRFSA-N 367.832 4.668 0 50 FJAA Cc1cccc2c1OCCC[C@@H]2NCCc1nc2ccccc2n1C(F)F 2325722190 NQJUEEZLQZFQAC-INIZCTEOSA-N 371.431 4.786 0 50 FJAA O=c1c2ccccc2nc(SCCc2ccccc2)n1-c1ccccc1 647234 MMHGNMUIUFGUMU-UHFFFAOYSA-N 358.466 4.721 0 50 FJAA CCc1ccccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 888512 FYDYNEVFRKJRAN-UHFFFAOYSA-N 357.504 4.601 0 50 FJAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2Cl)CC1 1071382 BKVCRAUDKGYXOF-UHFFFAOYSA-N 364.276 4.656 0 50 FJAA COc1ccc(OC)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 1110069 SLIXDGPDRSWCSQ-UHFFFAOYSA-N 357.262 4.820 0 50 FJAA Cc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1C 1113047 ICEAPOXKPXQTOO-UHFFFAOYSA-N 350.506 4.563 0 50 FJAA Cc1ccccc1-n1c(S)nnc1COc1ccc(Cl)cc1Cl 1142357 KFRUUBYTSWPSKB-UHFFFAOYSA-N 366.273 4.750 0 50 FJAA C[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1ccccc1O 1175211 CFWPSADUAIPBNB-PGRDOPGGSA-N 359.469 4.662 0 50 FJAA CC(C)(C[C@]1(C)OC(=O)N(CCc2ccccc2)[C@]1(C)O)c1ccccc1 1430570 YJHBCMPHAAFJDH-XZOQPEGZSA-N 367.489 4.516 0 50 FJAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C 1925611 HANPNNRRFLHJQT-UHFFFAOYSA-N 367.898 4.755 0 50 FJAA CCOc1cc(CNCc2ccccc2)cc(Br)c1OCC 4670834 ZMJFIIDLPSDJKA-UHFFFAOYSA-N 364.283 4.536 0 50 FJAA O=C(Nc1ccc(Br)cn1)C(c1ccccc1)c1ccccc1 4719085 RVVHQCKRUNIKQW-UHFFFAOYSA-N 367.246 4.615 0 50 FJAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4866609 LEFKXNCNBNDCJX-PSLIRLAXSA-N 371.742 4.526 0 50 FJAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cc(Cc2ccccc2)no1 11783964 QYQSZNGBUWGDLU-DEOSSOPVSA-N 374.484 4.705 0 50 FJAA CCN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(-c2ccco2)c1 96163998 QHHVMSMXKXBSOM-UHFFFAOYSA-N 352.438 4.778 0 50 FJAA Fc1cccc(-c2cnc(CN3CCC(OCc4ccccc4)CC3)o2)c1 175024032 JMSHNMUQMYJMQR-UHFFFAOYSA-N 366.436 4.662 0 50 FJAA 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 253501633 QXKRUGDXPWHXHL-ICWWQFESSA-N 374.521 4.813 0 50 FJAA CC(C)c1ccc(NC(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)cc1 263616497 JASPIKAJLLLREW-HXUWFJFHSA-N 361.445 4.530 0 50 FJAA CCc1ccc(CN(C)C(=O)c2cc(C[C@H](C)c3ccccc3)no2)cc1 299766082 BTQASAAGQGEBLJ-KRWDZBQOSA-N 362.473 4.855 0 50 FJAA CC[C@H](NC(=O)c1cccc(-c2ccc(SC)cc2)c1)c1nc(C)no1 299777491 MZQCVABZVWFMKG-SFHVURJKSA-N 367.474 4.648 0 50 FJAA C[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc2ccncc2s1 850470011 XPTZEWJAVIWNSU-NHYWBVRUSA-N 366.408 4.699 0 50 FJAA O=C(CCc1cccc2ccccc12)Nc1cnc(-c2cccc(O)c2)nc1 1472503502 OYCZDLZSSGUQJM-UHFFFAOYSA-N 369.424 4.574 0 50 FJAA CSc1ccc2c(C)cc(N3CCCN(C4CCCC4)CC3)nc2c1 1506421184 GIPZRJDPBFMDKX-UHFFFAOYSA-N 355.551 4.720 0 50 FJAA CC(C)(C)c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 917391 UMHBHVIKEDUIHX-UHFFFAOYSA-N 365.502 4.996 0 50 FJAA CCOc1ccc([C@H]2CC(=O)n3nc(-c4cccc(C)c4)nc3S2)cc1 935554 LNTJQAWTFIXSSU-QGZVFWFLSA-N 365.458 4.530 0 50 FJAA C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1118566 KQVYVWYJWZGIJK-SECBINFHSA-N 361.722 4.904 0 50 FJAA CCCC(=O)NC(=S)Nc1cccc(-c2nc3cc(CC)ccc3o2)c1 1180116 KCMMCGCVZFETNR-UHFFFAOYSA-N 367.474 4.670 0 50 FJAA CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(OCC)c1OCC 1189856 YJYLFDIEWLRQOP-UHFFFAOYSA-N 357.450 4.752 0 50 FJAA C[C@@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 1241720 DIPVGTMKHUDFPF-LLVKDONJSA-N 374.853 4.976 0 50 FJAA CSc1ccc(Cl)c(C(=O)Nc2ccc3nc(C)c(C)nc3c2)c1 1428817 LOENSCIYDMSPTC-UHFFFAOYSA-N 357.866 4.874 0 50 FJAA CC(=O)OCCCCCCCCCCCS(=O)(=O)c1ccccc1 4829968 LURLSUSWLBXCKX-UHFFFAOYSA-N 354.512 4.534 0 50 FJAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc2ccccc12 4839909 MDQIIHYUUCHJEW-UHFFFAOYSA-N 358.441 4.718 0 50 FJAA C[C@@H](Cc1cc(C(=O)NCc2cccc(Cl)c2)on1)c1ccccc1 11882452 WNOOTNUIGUGYLE-AWEZNQCLSA-N 354.837 4.604 0 50 FJAA COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCCCC3)cc1 15952558 CJTUEBYSLRDGIV-UHFFFAOYSA-N 353.873 4.820 0 50 FJAA CC[C@H](C)NC(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C 20573099 NXJYUMUJVOXOBJ-JTQLQIEISA-N 369.296 4.775 0 50 FJAA COc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc12 22586686 YWZCFDJMGQYGGF-JXMROGBWSA-N 372.512 4.679 0 50 FJAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccccc3F)C2)cc1 23339502 LIEYDEQPOBLZMT-KRWDZBQOSA-N 353.416 4.735 0 50 FJAA CCCCCn1cc(C(=O)Cc2ccccc2OC)c2cc(O)ccc21 71746266 BZBRKUXWVBPICN-UHFFFAOYSA-N 351.446 4.971 0 50 FJAA in-vitro COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)n(C)c2c1 77505558 ONPPJPLMVFLSDD-LJQANCHMSA-N 366.436 4.693 0 50 FJAA Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C 152074502 FFMIKZDQZANUMJ-CHWSQXEVSA-N 372.900 4.721 0 50 FJAA C[C@H](C(=O)Nc1cc(F)ccc1F)c1cccc(C(=O)c2ccccc2)c1 238791230 YSKJAAMQSYTRQE-AWEZNQCLSA-N 365.379 4.938 0 50 FJAA C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 239173815 OSTLLWRZYOJDGD-PRFUNPLHSA-N 365.542 5.461 0 50 FJAA C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)[C@]1(C)O 239284810 CBNTXTSZXBMDJP-VHIUKIOLSA-N 364.316 5.402 0 50 FJAA O=C(O)c1cccc2c1N[C@H](c1cc(F)ccc1F)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 247351442 CHVWEFCXKUCBPM-ZKIYCNIBSA-N 355.384 4.960 0 50 FJAA C[C@H](N[C@H](C)C[C@@H](O)c1cccs1)c1ccc(-c2ccncc2)cc1 763415951 SSOHJQTYAOZBLG-GQIGUUNPSA-N 352.503 4.973 0 50 FJAA CC(C)c1noc(C2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1 1529186312 BMTGGTUOINCNQJ-UHFFFAOYSA-N 356.857 4.779 0 50 FJAA CCN(C(=O)c1cccc(-c2ccccc2SC)c1)[C@H]1CCCC[C@@H]1O 1565511755 YWZLLNIDGPCKND-PMACEKPBSA-N 369.530 4.841 0 50 FJAA Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1Oc1ccc(Cl)cc1 2325864323 MGHSZKKIVRSAEV-KZNAEPCWSA-N 357.837 4.947 0 50 FJAA COC(=O)c1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1 1133484 XGQDMOPFLQYJBN-UHFFFAOYSA-N 373.387 4.966 0 50 FJAA COc1ccc(NCC(=O)N2c3ccccc3Sc3ccccc32)cc1 1176870 RUTUNVFZVCPQDA-UHFFFAOYSA-N 362.454 4.937 0 50 FJAA O=C(Cc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl 1182775 MGBHQGCMLROJMJ-UHFFFAOYSA-N 359.050 4.937 0 50 FJAA COc1ccccc1OCCOc1c(C)cc(C)cc1Br 2984277 APKFDYKACMSEOT-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA CCCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)Nc1ccccc1-2 3664270 QLMLYTJVSIXODK-GOSISDBHSA-N 364.474 4.852 0 50 FJAA CCOC(=O)c1ccc(-c2ccc(CNCc3ccc(F)cc3)o2)cc1 4643891 GMDJOBOZZFFXNS-UHFFFAOYSA-N 353.393 4.552 0 50 FJAA O=C(CCCC(=O)NC1CCCCCCC1)NC1CCCCCCC1 4902507 GPVQTNOHSPUMJP-UHFFFAOYSA-N 350.547 4.615 0 50 FJAA COc1ccc([C@]2(CCNCc3ccccc3)CCOC(C)(C)C2)cc1 12384395 GXKOSANWZUHEGJ-HSZRJFAPSA-N 353.506 4.702 0 50 FJAA CCn1ccnc1Cn1ccc(-c2cccc(-c3sc(C)nc3C)c2)n1 20865142 UYCDLRROTKVTLU-UHFFFAOYSA-N 363.490 4.555 0 50 FJAA Cc1cccc(-c2ncc(CN(C)Cc3cccc4ncccc34)cn2)c1 55154019 IPQDUMPAYBWKNS-UHFFFAOYSA-N 354.457 4.632 0 50 FJAA Cc1n[nH]c([C@@H](C)n2cnc(-c3ccccc3)c2-c2ccc3occc3c2)n1 67713005 BEKXPEPXINDILR-CQSZACIVSA-N 369.428 4.999 0 50 FJAA O=C(c1ncccc1C(F)(F)F)N1CC=C(c2c[nH]c3ccccc23)CC1 179791218 OXQLBVUHBCDBLD-UHFFFAOYSA-N 371.362 4.511 0 50 FJAA CCc1onc(C)c1NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 293429016 LLIAEJPXIWFOBH-UHFFFAOYSA-N 363.845 4.558 0 50 FJAA O=C(NCCCOC1CCCCC1)c1ccc(-c2cccc(F)c2O)cc1 426470850 RRZXMWUDTHUDOP-UHFFFAOYSA-N 371.452 4.668 0 50 FJAA Cc1cc2c(cn1)CN(C(=O)c1cc(-c3ccccc3Cl)oc1C)C2 1857672367 UMLOOMSEYZDWCH-UHFFFAOYSA-N 352.821 4.768 0 50 FJAA CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 636834 JCEGMKCMMJFKGB-UHFFFAOYSA-N 360.885 4.821 0 50 FJAA CCOc1ccccc1Nc1nc(-c2c(C)nc3ccccn23)cs1 643743 QOKDNNPNPXCKOK-UHFFFAOYSA-N 350.447 4.909 0 50 FJAA CCC1=C(OC(=O)c2ccccc2)C(C)(C)[C@@H](c2ccccc2)OC1=O 709843 FEWXNYDYEILDTL-GOSISDBHSA-N 350.414 4.832 0 50 FJAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 946991 YGDFRHRSMYOXAF-KPKJPENVSA-N 350.443 4.779 0 50 FJAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 1062189 SSVNIOCHVGZPNY-ZDUSSCGKSA-N 371.864 4.989 0 50 FJAA Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 1122603 YLQILFCKULZPHH-UHFFFAOYSA-N 372.621 4.568 0 50 FJAA Cc1cc(C)cc(NC(=O)Cc2ccc(OC(=O)C3CCCCC3)cc2)c1 1384186 CEGBGPWMPCYVFC-UHFFFAOYSA-N 365.473 4.970 0 50 FJAA CC1=CC(C)(C)N(C(=O)CSc2nccc(C)n2)c2cc(C)c(C)cc21 2502194 PCVWLGZUUQQRHH-UHFFFAOYSA-N 367.518 4.723 0 50 FJAA COc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3877688 ICERNUJHEKAYPK-UHFFFAOYSA-N 363.457 4.879 0 50 FJAA biogenic CC1CCN(C(=S)N[C@H](CC(=O)c2ccccc2)c2ccccc2)CC1 5218814 UVQKXKCEPSIFGT-HXUWFJFHSA-N 366.530 4.607 0 50 FJAA CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@H]1C/C=C\CCCC(=O)O 27640163 LLVVDFDWPQHXBA-XDDURRFNSA-N 364.526 4.916 0 50 FJAA in-vitro Cc1ccc(CN2CCc3onc(-c4ccccc4)c3C2)c2cccnc12 67541377 RKWCJLVONBRASY-UHFFFAOYSA-N 355.441 4.757 0 50 FJAA Cc1noc(C)c1[C@H]1CCCN1C(=O)CSCc1ccccc1Cl 244875059 XLWBNNPNLXLLQJ-MRXNPFEDSA-N 364.898 4.542 0 50 FJAA O=C(CC[C@H]1CC1(Cl)Cl)OCc1cncc(-c2ccsc2)c1 851051134 YGLWWBDFUCOHLD-AWEZNQCLSA-N 356.274 4.827 0 50 FJAA CC(C)c1noc(C2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)n1 1704312533 TXBJGBOLTCRFJT-UHFFFAOYSA-N 372.469 4.840 0 50 FJAA C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1nc(-c2cccc(Cl)c2)cs1 1875319571 IFCSXFIRKTWELP-VXGBXAGGSA-N 364.898 4.537 0 50 FJAA c1ccc(CN2CCO[C@H](c3nc(CCC4CCCC4)cs3)C2)cc1 1875356369 JHFQHUVSENNZKI-FQEVSTJZSA-N 356.535 4.839 0 50 FJAA CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1 935609 BGVYKDXOVNNAOL-QGZVFWFLSA-N 359.425 4.962 0 50 FJAA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1 944967 LQIASQGVZKIKQF-UHFFFAOYSA-N 362.267 4.764 0 50 FJAA Cc1ccc(C(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)cc1 1165178 WCDGZDCNSFTETR-JOCHJYFZSA-N 360.409 4.790 0 50 FJAA CCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3C)s2)c1 1168562 MCJOYYBXJOICKL-UHFFFAOYSA-N 354.435 4.556 0 50 FJAA Cc1nc2c(-c3ccc(Cl)cc3)cnn2c(N)c1-c1ccc(F)cc1 1386152 ADKOFHQQCJIEPK-UHFFFAOYSA-N 352.800 4.746 0 50 FJAA CC[C@@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1 4522928 XJURLICCSYKNIU-MRXNPFEDSA-N 371.893 4.915 0 50 FJAA CCCOC(=O)c1ccc(OC(=O)Nc2cccc(C(F)(F)F)c2)cc1 6043518 SKEUPQFQRKGFHG-UHFFFAOYSA-N 367.323 4.883 0 50 FJAA Cc1ccc(-n2cnc3c(sc4nc(C(F)F)cc(C)c43)c2=O)c(C)c1 6787875 UGCNLQKHWBHFQD-UHFFFAOYSA-N 371.412 4.858 0 50 FJAA Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)c1 12583421 DFFWYNZOMJQDNS-FQEVSTJZSA-N 357.453 4.883 0 50 FJAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccc(F)cc2)c1C 13331415 IPJWHIHGVSYYCN-UHFFFAOYSA-N 352.413 4.640 0 50 FJAA CCCN1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 16579869 IUFTYRMAVURPDU-OAQYLSRUSA-N 368.546 4.511 0 50 FJAA Cc1cc(C)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 176033434 JVGYWVGXHWFVQR-UHFFFAOYSA-N 358.825 4.711 0 50 FJAA Clc1ccc([C@@H](NCc2cccc(Cn3cccn3)c2)C2CC2)cc1 225546299 CSAJMZJGYZXHJX-NRFANRHFSA-N 351.881 4.826 0 50 FJAA 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 253612512 UHRMATMIZQHEIP-RLTRBBCRSA-N 374.521 4.670 0 50 FJAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CCCC[C@@H]1CC31OCCO1 257348009 ANVUQRJIXAVQDA-GXVHQLLKSA-N 360.538 4.977 0 50 FJAA COc1ccccc1-c1cccc(NC(=O)N(C)CCC2(O)CCCC2)c1 299764681 CBWIWFRNCBPLBR-UHFFFAOYSA-N 368.477 4.521 0 50 FJAA CCSCCN(C(=O)c1cccc(-c2cncnc2)c1)C1CCCCC1 299789329 ZNFGXGLHEZPBCJ-UHFFFAOYSA-N 369.534 4.672 0 50 FJAA CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 334161486 ZTPHNJFWVFYKDE-PWIZWCRZSA-N 366.509 4.855 0 50 FJAA CCCC[C@@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@H](C2CC2)O1 1857722859 QFQCDAAIVAXPSM-IEBWSBKVSA-N 370.518 4.620 0 50 FJAA COc1ccc2c(c1)CCC[C@@H](NC(=O)Nc1ccc3[nH]cc(C)c3c1)C2 1875331376 XMFOHNYDGJCFBI-QGZVFWFLSA-N 363.461 4.554 0 50 FJAA C[C@@H](NCc1ccc(-c2cnco2)cc1)c1ccccc1Br 1875338546 BCOYZLKOVBZZRC-CYBMUJFWSA-N 357.251 4.955 0 50 FJAA O=C(NC1CCCC1)c1ccc(COc2cc(Cl)ccc2Cl)o1 1083432 YVTKMOFBSWUZQJ-UHFFFAOYSA-N 354.233 4.838 0 50 FJAA COc1ccc(CCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 1200422 JWIVOYDOPLDEIP-UHFFFAOYSA-N 359.469 4.576 0 50 FJAA CCCCC1CCC(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 2866572 QQBGZJMKBAVIJK-UHFFFAOYSA-N 362.539 4.661 0 50 FJAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccc(C(F)(F)F)c1 12058535 NYWMUHDYFXSQKJ-LJQANCHMSA-N 358.363 4.681 0 50 FJAA O=C(c1sc2cccc(F)c2c1Cl)N1CCN(c2ccccc2)CC1 13745241 ZXUKXBMNQHYPCL-UHFFFAOYSA-N 374.868 4.656 0 50 FJAA CC(C)=CCC[C@H](C)CN1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 15062460 SOMOJDXMDHWBMT-SFHVURJKSA-N 374.573 4.887 0 50 FJAA CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@H]2CO[C@@H]1C2 43772637 VGRVXLWYKKBTNM-IRLKGHHESA-N 352.515 4.560 0 50 FJAA in-vitro O=C(N[C@H]1C[C@@H](c2ccncc2)O[C@@H](C2CCCCC2)C1)c1ccccc1 65404150 CJNURFFEMHDGMR-VSKRKVRLSA-N 364.489 4.681 0 50 FJAA Cc1noc(C)c1NC(=O)c1cccc(CN2CC[C@@H]3CCCC[C@H]3C2)c1 67726261 KQXSFGFITNBSAS-ICSRJNTNSA-N 367.493 4.556 0 50 FJAA Cc1n[nH]c(C)c1Cn1cnc(-c2ccccc2)c1-c1cc(F)ccc1F 67982413 QEPLTJBZMFQTDX-UHFFFAOYSA-N 364.399 4.884 0 50 FJAA O=C(N[C@H]1CC[C@H]1NC1CCCCC1)c1ccccc1Oc1ccccc1 72454431 PVFJBRXCIMZGLW-RTWAWAEBSA-N 364.489 4.662 0 50 FJAA FC(F)(F)c1cccc([C@@H](NCc2nc(-c3ccco3)no2)C2CC2)c1 180069925 WKDKIFUOMJTKIV-INIZCTEOSA-N 363.339 4.589 0 50 FJAA C[S@](=O)c1ccc(CNCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 408513115 VGHYYCFGKBAFBL-QHCPKHFHSA-N 370.345 4.798 0 50 FJAA CN(Cc1cccc(OCc2ccccn2)c1)[C@@H](c1ccccn1)C1CC1 952988131 MNYGMXFYTYXXSL-HSZRJFAPSA-N 359.473 4.639 0 50 FJAA Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Cl 678983 DEXHGYWMBIXQMY-UHFFFAOYSA-N 372.799 4.794 0 50 FJAA CCCc1cc(=O)oc2cc(OCc3ccccc3OC)c(Cl)cc12 1165835 DJCPEUVWXWCPML-UHFFFAOYSA-N 358.821 4.987 0 50 FJAA biogenic C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 2750535 JETKTRNNIIVGIM-SNVBAGLBSA-N 358.652 4.731 0 50 FJAA C[C@@H](CN(C)CCc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 4827741 IRQLUPGLMPPWEH-NVQXNPDNSA-N 373.540 4.928 0 50 FJAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(Cl)c1 6702368 UXURXJRCGVNXPD-UHFFFAOYSA-N 370.840 4.833 0 50 FJAA Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc(-c2cc3ccccc3o2)n1 9316054 PVDCZLHQIULCCQ-UHFFFAOYSA-N 372.215 4.917 0 50 FJAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(CC2CC2)C1 11775560 NNYWPYSVAVCMFN-LJQANCHMSA-N 352.453 4.553 0 50 FJAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 44933463 LSWIXJYMKAWWST-KRWDZBQOSA-N 370.924 4.738 0 50 FJAA CC1(C)C[C@H]1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67714179 BEANMXLKOZDRHN-HNNXBMFYSA-N 364.367 4.555 0 50 FJAA Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c(C)n1C1CCCCC1 150989329 PDIIDYQXFIJCQI-UHFFFAOYSA-N 365.477 4.747 0 50 FJAA CN(C(=O)C(C)(C)C)c1ccc(OCc2csc([C@@H]3CCCO3)n2)cc1 153549205 HUFUNMQGWWZJOW-KRWDZBQOSA-N 374.506 4.583 0 50 FJAA CCCCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(C)C 225542309 DXCATIZJBHQKNF-UHFFFAOYSA-N 373.518 4.740 0 50 FJAA CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 239121033 JEFAQWROLRPOIV-NEYJZJCJSA-N 372.553 5.106 0 50 FJAA CCCc1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)cc1 239165077 NKEVONKMIIRLDD-ACLGETGGSA-N 369.505 4.510 0 50 FJAA Cc1noc(C)c1-c1ccc(OC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 239366874 AGMCRXBUHDNWJT-WMZOPIPTSA-N 369.367 4.946 0 50 FJAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 239434097 YZBWXUMBVMJAEN-VEDXQQSGSA-N 368.565 4.982 0 50 FJAA CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 452534410 ZHLAKFKHADGKJT-BLLLJJGKSA-N 360.445 4.550 0 50 FJAA COc1cccc(NC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1 1348137868 KYMQTRXGPAWIEJ-UHFFFAOYSA-N 371.440 4.903 0 50 FJAA CC(C)(C)c1ccc(-c2cccc(NC(=O)NCCc3cnccn3)c2)cc1 2325723346 BMUSLRKLIGCSPI-UHFFFAOYSA-N 374.488 4.805 0 50 FJAA Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 1117440 MDKWOJOPMISKKF-UHFFFAOYSA-N 372.380 4.784 0 50 FJAA aggregator CC(C)C(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)cc1Cl 1149053 ARANLLQWYROCTF-UHFFFAOYSA-N 366.244 4.945 0 50 FJAA COc1cc(NC(=O)CSc2ccc(Cl)cc2)c(OC)cc1Cl 1156608 CLIVKPUHPNFJHB-UHFFFAOYSA-N 372.273 4.741 0 50 FJAA CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 1161344 POTHXMPVCVBLHS-UHFFFAOYSA-N 367.232 4.603 0 50 FJAA Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)ccc1Cl 2877084 NVHHWGQVBAXXNF-JTQLQIEISA-N 364.829 4.803 0 50 FJAA O=c1cc(-c2ccccc2)nc(SCCCOc2ccccc2Cl)[nH]1 6460694 LAFCUMNVEPDVKP-UHFFFAOYSA-N 372.877 4.652 0 50 FJAA CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1)c1ccccc1 12138273 YAALKQDSDVXAQX-UHFFFAOYSA-N 374.440 4.614 0 50 FJAA COCC[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C 12761402 BEKYWIQELIMHPI-SFHVURJKSA-N 372.509 4.666 0 50 FJAA Clc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1Cl 13131445 IOUCPTPGGGJRIL-STQMWFEESA-N 351.262 4.793 0 50 FJAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C2CCCCC2)C3)cc1 14950563 NAZNGOXBWMWCDU-UHFFFAOYSA-N 367.489 4.898 0 50 FJAA COc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)c2ccccc12 19634676 LLJDFCUUSWGPMJ-UHFFFAOYSA-N 360.501 4.787 0 50 FJAA FC(F)Oc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 100716242 AYACJSIUYYHDAD-OAHLLOKOSA-N 374.778 4.589 0 50 FJAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Sc1ccccc1 102309225 OBWXFODKMAXEFK-QAMTZSDWSA-N 367.470 4.523 0 50 FJAA COCc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCc3c(Cl)cccc32)o1 162880050 WZFNVTKAMRLYNC-QZTJIDSGSA-N 374.868 4.613 0 50 FJAA Nc1cc(F)c(Oc2cc(Cl)nc3[nH]cc(C(F)(F)F)c23)c(F)c1 214486709 BDOGNXJDEFNIBE-UHFFFAOYSA-N 363.673 4.888 0 50 FJAA COc1cc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OCc1c(C)noc1C 247922807 YHMSQQLGCFGBKM-STXHMFSFSA-N 372.509 4.793 0 50 FJAA O=C1C[C@@H](c2ccncc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585245 GQQXGPUTIOMMCL-SFHVURJKSA-N 353.425 4.559 0 50 FJAA biogenic O=C(CCc1ccc(-c2cccs2)o1)N[C@@H]1COC2(CCCCC2)C1 299759254 DQBCFPJAJBOGBR-HNNXBMFYSA-N 359.491 4.549 0 50 FJAA Cc1ccc2cccnc2c1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1875342306 KNMBKCVWXXLLIH-UHFFFAOYSA-N 356.429 4.598 0 50 FJAA CC(C)(C)c1ccc(Oc2ccc(C(=O)NCc3cncs3)cn2)cc1 2325734257 KRYQPYGUZGYRTQ-UHFFFAOYSA-N 367.474 4.558 0 50 FJAA COc1cc(OC)c(NC(=O)Nc2cccc(Cl)c2C)cc1Cl 640905 GVABPIOUYRHBPJ-UHFFFAOYSA-N 355.221 4.963 0 50 FJAA COc1cc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc(OC)c1OC 725346 FOZVCULQOHTZIK-UHFFFAOYSA-N 370.445 4.979 0 50 FJAA CC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1 1112512 QTNYSSWJUAFDDI-UHFFFAOYSA-N 362.454 4.829 0 50 FJAA COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4C)n3)cc2c1 1192162 ILMMVRRQRADVBB-UHFFFAOYSA-N 364.426 4.977 0 50 FJAA NC(=O)c1cc(-c2ccc(COc3ccccc3)cc2)nc2ccccc12 1306668 LQLJOECAAYCXKG-UHFFFAOYSA-N 354.409 4.580 0 50 FJAA CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1 3291702 FPBHDMFHPWYIRL-GFCCVEGCSA-N 356.472 4.618 0 50 FJAA COc1ccc(-n2ncc([C@H](C)NCc3ccc(F)cc3Cl)c2C)cc1 12075022 FVFSFMWIYPLFKU-ZDUSSCGKSA-N 373.859 4.833 0 50 FJAA COc1ccc(-c2nc(CN(C)[C@H](C)c3nc(C)cs3)c(C)o2)cc1C 12300600 YFOZZGOPBODDSM-CQSZACIVSA-N 371.506 4.925 0 50 FJAA CCC[C@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)cccc12 63856013 CLQZCVFOUUJHGC-INIZCTEOSA-N 362.477 4.651 0 50 FJAA Cc1ccc(-c2cc(C(=O)N(C)Cc3nc(C)c[nH]3)c3ccccc3n2)cc1 72172685 ZSYWTECRJVPECF-UHFFFAOYSA-N 370.456 4.514 0 50 FJAA OCC1(CCCc2ccccc2)CCN(Cc2cccc3cccnc23)CC1 76846963 VZQHMRZMBVWNIG-UHFFFAOYSA-N 374.528 4.832 0 50 FJAA Cc1cc([C@H]2CCCN(C(=O)c3cccc(N[C@@H](C)C(C)C)c3C)C2)[nH]n1 225430468 OCOINZAAQCFAOV-ROUUACIJSA-N 368.525 4.503 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 257350156 VFBOQACQHXYULH-UDKBLKEYSA-N 360.538 4.977 0 50 FJAA C[C@H](OC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccncc1 860208175 SDXQZGQMTMGQJR-ZBEGNZNMSA-N 368.260 4.752 0 50 FJAA Cc1cc([C@@H](NC(=O)c2ocnc2-c2ccccc2)C2CC2)ccc1F 1356580560 FNKQSXGGPRXTOJ-SFHVURJKSA-N 350.393 4.670 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](c3ccccc3)C2)cc1F 1875307588 FGWHZLDLTKMREK-OXFYSEKESA-N 354.469 4.587 0 50 FJAA Cc1nn2c(c1C(C)C)-n1nc(C)c(C(C)C)c1-n1nc(C)c(C(C)C)c1-2 855925 OHQOTNXCBXHMEU-UHFFFAOYSA-N 366.513 4.853 0 50 FJAA C[C@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C[C@H](C)O1 940562 IPLAPXVSBNNRIV-KBPBESRZSA-N 353.853 4.564 0 50 FJAA O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1cccc(Cl)c1 1146634 FFXOTHRFIGMYND-UHFFFAOYSA-N 359.878 4.721 0 50 FJAA O=C1N(Nc2ccccc2)[C@@H](c2ccc(Br)cc2)C12CCCC2 2393798 KPHMGMVKIODVRX-KRWDZBQOSA-N 371.278 4.920 0 50 FJAA CCc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 2838066 GGPUNJDMCUOAHE-UHFFFAOYSA-N 372.493 4.947 0 50 FJAA Cc1ccc(C(C)C)cc1OCCCCn1cnc2ccccc2c1=O 3000376 SLWLRVZAGCJSCW-UHFFFAOYSA-N 350.462 4.688 0 50 FJAA NCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5490541 SNIDIFUWWWOHFE-UHFFFAOYSA-N 351.473 4.934 0 50 FJAA Cc1nn2c(NCCCn3ccnc3)cc(C(C)C)nc2c1-c1ccccc1 8618279 BTPIRKJWQCDSII-UHFFFAOYSA-N 374.492 4.527 0 50 FJAA CCc1nnc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)s1 9058781 JNRQQYVZZKOJIE-UHFFFAOYSA-N 368.245 4.920 0 50 FJAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20419454 UCWIRCHDOWPFQU-GOSISDBHSA-N 369.468 4.811 0 50 FJAA Cc1csc([C@H](C)N(C)Cc2nc(-c3cccc(F)c3F)oc2C)n1 20535716 IGAMBTJWJWHUBI-NSHDSACASA-N 363.433 4.886 0 50 FJAA CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCCCC(=O)O 35876755 JUBMLVBCKBUAQW-LGGHEYRBSA-N 362.510 4.715 0 50 FJAA in-vitro CC(C)c1c(-c2ccccc2)ncn1[C@H]1CCCN(C(=O)c2ccco2)C1 65382713 CGKJXFQLXJJPLO-SFHVURJKSA-N 363.461 4.744 0 50 FJAA O=C(c1cccc2cccnc12)N1CCCC[C@@H]1CCc1cccs1 82139051 MTSSRAAVYJHVJP-QGZVFWFLSA-N 350.487 4.924 0 50 FJAA CC1(C)CN(C(=O)c2csc([C@@H]3CCCO3)n2)c2cccc(Cl)c21 179388312 DSDHSCUDSBCEOD-AWEZNQCLSA-N 362.882 4.586 0 50 FJAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccnc2ccccc12 670452711 ZDYFMXOXOYVPHX-HSZRJFAPSA-N 373.500 4.582 0 50 FJAA CC(C)CC(=O)Nc1ccc(NC(=O)c2scc3c2CCCC3)cc1 820943523 YYFVFARYVLSPCD-UHFFFAOYSA-N 356.491 4.864 0 50 FJAA CC(C)c1nc(CN[C@@H](CCc2cc(F)cc(Cl)c2)C2CCC2)no1 1772804030 CZZZAXHTCAVHNG-KRWDZBQOSA-N 365.880 4.877 0 50 FJAA Cc1c(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCOCC3)ccc2ccccc12 1875344036 CCFAHWMYXRQYTD-FGZHOGPDSA-N 367.533 4.991 0 50 FJAA CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)c3ccco3)cc12 728026 DKEDXEDKYKWNCG-UHFFFAOYSA-N 356.374 4.719 0 50 FJAA biogenic O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 1178902 ISEVVAINKWSMQD-UHFFFAOYSA-N 364.348 4.578 0 50 FJAA Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 1216457 IWUGSGCIBPSWHB-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA CCOC(=O)C(=Cc1cccc(Oc2ccc(CC)cc2)c1)C(=O)OCC 4106761 HEEPGHIGRRYGLO-UHFFFAOYSA-N 368.429 4.551 0 50 FJAA Cc1ccccc1NC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4856721 MFIGZORZLQCJBQ-UHFFFAOYSA-N 355.397 4.964 0 50 FJAA COC(=O)c1c(NC(=S)Nc2ccccc2Cl)sc(C)c1C 8686271 CVALFFXBOVMQAE-UHFFFAOYSA-N 354.884 4.614 0 50 FJAA CC(=O)c1cc(Cn2ccc(-c3cccc(-c4ccc(C)nn4)c3)n2)cs1 19850822 NTFHFHYWINJOBC-UHFFFAOYSA-N 374.469 4.628 0 50 FJAA Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@@H](C)n2cccc2)c1 55360682 MOBALZTVBVPMKY-QGZVFWFLSA-N 361.445 4.557 0 50 FJAA COc1cccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)c1 248175718 ACVCKOAEWFQOOF-NQIIRXRSSA-N 362.454 4.999 0 50 FJAA COc1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 622159 WPQPNRRHYPPYKL-UHFFFAOYSA-N 356.805 4.523 0 50 FJAA biogenic COc1ccc(OC)c(NC(=O)C2c3ccccc3Oc3ccccc32)c1 851838 JGCLHFUHIQVAQO-UHFFFAOYSA-N 361.397 4.580 0 50 FJAA Cc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)c(C)c2oc1=O 949224 ZUEGGRXKNBGIMW-UHFFFAOYSA-N 372.804 4.679 0 50 FJAA CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)Nc1ccccc1-2 1191409 GYNUZZYAJSADMA-INIZCTEOSA-N 370.865 4.807 0 50 FJAA Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1C 1207142 VYBRAPKOMKVZJZ-UHFFFAOYSA-N 368.658 4.737 0 50 FJAA CCC(=O)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 2971200 ZSAWJCUUUXVZRW-UHFFFAOYSA-N 356.250 4.539 0 50 FJAA CCOc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccc(C)cc2)cc1 4034860 KPZXSMXLBZMPHW-NRFANRHFSA-N 359.429 4.560 0 50 FJAA Cc1nc2ccccc2n1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 4787979 OIWGYANTCZGSCB-UHFFFAOYSA-N 372.325 4.949 0 50 FJAA Cc1nn(C(C)C)c(C)c1CN[C@@H](C)c1cnn(-c2cccc(F)c2)c1C 12197152 BKWGVHIZABJING-AWEZNQCLSA-N 369.488 4.565 0 50 FJAA Fc1ccc2[nH]c([C@@H]3CCCN3Cc3cncn3C3CCCCC3)nc2c1 72172395 OWWPEDFCBXEULO-FQEVSTJZSA-N 367.472 4.741 0 50 FJAA Cc1cnc2c(c1)N(C(=O)c1cc(-c3ccc(F)cc3)c(C)s1)CCO2 126312808 AUWMXFBUEAPSMT-UHFFFAOYSA-N 368.433 4.605 0 50 FJAA CC(C)c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 225492678 XTIQXJCDCIXSFM-UHFFFAOYSA-N 361.850 4.779 0 50 FJAA CCOc1ccccc1-c1nc(-c2ccc(CCNC(C)=O)s2)cs1 253426334 NAAGUVNOFZEHQN-UHFFFAOYSA-N 372.515 4.616 0 50 FJAA CC(C)c1noc([C@H](NCc2csc3ccccc23)C2CCOCC2)n1 328645371 ZPPYMHOUUQXIQE-GOSISDBHSA-N 371.506 4.665 0 50 FJAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 477767945 JORYQSDHOXQPIP-FOIQADDNSA-N 351.494 4.984 0 50 FJAA CC(=O)c1ccc2ccccc2c1NC(=O)c1cnccc1C(F)(F)F 1437480218 LTXOBGYNDOPCNV-UHFFFAOYSA-N 358.319 4.709 0 50 FJAA c1ccc(CN2CCC[C@]3(CCCN(c4nccc5ccncc45)C3)C2)cc1 1529188707 AQRAWUKBLZCHOJ-DEOSSOPVSA-N 372.516 4.512 0 50 FJAA Fc1ccc([C@H](N[C@@H]2CCCCNCC2)c2cnc3ccccc3c2)cc1 2325758829 LXQJLHXRCQEIRH-GGAORHGYSA-N 363.480 4.585 0 50 FJAA O=C(Cc1ccc2sccc2c1)NCCC(C(F)(F)F)C(F)(F)F 2325800060 KNOPVLJEQMGASV-UHFFFAOYSA-N 369.330 4.691 0 50 FJAA CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 640311 QTJKADZPYFJSEQ-NRFANRHFSA-N 360.457 4.623 0 50 FJAA biogenic,in-vitro Cc1cc(NC(=O)c2csc3c2CCCC3)ccc1Br 659750 OXKSLJLISDYMPI-UHFFFAOYSA-N 350.281 4.950 0 50 FJAA Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 1110047 GVWVKGQUQAOSMS-UHFFFAOYSA-N 371.440 4.864 0 50 FJAA CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(OC)c(OC)c1 1172659 WBWXHDONRQYJLV-UHFFFAOYSA-N 372.446 4.625 0 50 FJAA Cc1cc(C)c(NC(=O)CSc2nc3cc(C)c(C)cc3[nH]2)c(C)c1 1230629 XHCZFVXJEZDXCG-UHFFFAOYSA-N 353.491 4.836 0 50 FJAA COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 1230679 PQCBJFIJRTUNGI-UHFFFAOYSA-N 364.879 4.689 0 50 FJAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccccc3C)s2)cc1C 1251626 QARFBAPTXOGDIT-UHFFFAOYSA-N 368.462 4.686 0 50 FJAA CCCCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 2875472 DZAGYLFTEOHJDE-UHFFFAOYSA-N 353.447 4.925 0 50 FJAA COc1ccc(CNCc2ccccc2OCc2ccc(F)cc2)cc1 4870053 JKNFRRKJPONVJV-UHFFFAOYSA-N 351.421 4.703 0 50 FJAA CCn1nc(C)c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1C 5126457 AGXYWDVAXTUXRK-UHFFFAOYSA-N 363.417 4.680 0 50 FJAA COc1ccccc1C(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 12528769 YLXRTLVGEQPFLL-UHFFFAOYSA-N 357.413 4.571 0 50 FJAA CC(C)c1nc2cc(C(=O)N3CC[C@H](c4ccccc4F)C3)ccc2o1 12592455 KWQYEOFZXORBPQ-HNNXBMFYSA-N 352.409 4.720 0 50 FJAA COc1ccccc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331472 JYFSOPFJMVUZQA-UHFFFAOYSA-N 364.449 4.509 0 50 FJAA CCC(CC)N1CCC2(CC1)Nc1ccccc1N(CC(C)(C)C)C2=O 63834250 CQGIJPNIWZYAPL-UHFFFAOYSA-N 357.542 4.514 0 50 FJAA CC(C)(O)CCc1cccc(C(=O)N(Cc2ccccc2Cl)C2CC2)c1 72479513 CHCJCSNTDXRQPB-UHFFFAOYSA-N 371.908 4.848 0 50 FJAA CCn1ccnc1-c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 157229340 NOHTXTMLOXHYTA-UHFFFAOYSA-N 361.232 4.524 0 50 FJAA CO[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(NC(=O)N4CCCCCC4)cc3)C[C@@H]2C1 333356997 CFQFPINCEVZRSD-FRFXWMEGSA-N 371.525 4.710 0 50 FJAA C[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccsc1 534655238 FEOGPTXGACWIQT-ZDUSSCGKSA-N 355.463 4.540 0 50 FJAA CC(C)(C)c1ccc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1 1704343608 KWTIJTQMWKKVMI-YKSBVNFPSA-N 374.528 4.568 0 50 FJAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](c3ccccc3)C2)cc1F 1875307590 FGWHZLDLTKMREK-SYNHAJSKSA-N 354.469 4.587 0 50 FJAA O=C(/C=C/c1cncs1)Nc1cccc(COc2cccc(F)c2)c1 2325748861 BQBYGOYMBSLEGO-BQYQJAHWSA-N 354.406 4.513 0 50 FJAA Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3cccnc3)ccc12 755627 KZOQUWHHUUQEEL-UHFFFAOYSA-N 365.845 4.825 0 50 FJAA COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1c(F)cccc1Cl 1397649 LBUNFDUXLKICFY-LBPRGKRZSA-N 355.192 4.662 0 50 FJAA O=C(Nc1cccc(C(F)(F)F)c1)c1noc2c1CCc1ccccc1-2 3909446 JRQTZYGBFFAQOJ-UHFFFAOYSA-N 358.319 4.711 0 50 FJAA CC(C)c1csc(CN2CCC[C@](CO)(CCCc3ccccc3)C2)n1 11844045 AIVWWUBVRNUWTF-JOCHJYFZSA-N 372.578 4.864 0 50 FJAA Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(C[C@H]2CC=CCC2)C1 12242621 ZPNSOHUNLGXFFF-HOTGVXAUSA-N 357.448 4.891 0 50 FJAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCOc2ccccc2C1 12571293 BSAWYUNPKCQTME-UHFFFAOYSA-N 354.837 4.698 0 50 FJAA COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC 13756931 NJLHHCITDFZZSE-KRWDZBQOSA-N 370.880 4.576 0 50 FJAA in-vitro Cc1nc(CNC(=O)Nc2ccccc2CN(C)C2CCCCC2)cs1 45345038 IRODFHGIRBWEBR-UHFFFAOYSA-N 372.538 4.538 0 50 FJAA COc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)o2)cc1 96133121 VGMSBPWYTPGUDP-IBGZPJMESA-N 362.429 4.718 0 50 FJAA OC1=C[C@@]2(CCC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 100671117 CEGXVWAWDVNTOW-TZIWHRDSSA-N 350.393 4.691 0 50 FJAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 239309026 HDPBXTWXTZJAAJ-GMAHTHKFSA-N 374.871 5.891 0 50 FJAA Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 946383 IQKHBHKGFZEQRP-UHFFFAOYSA-N 357.759 4.993 0 50 FJAA O=C(Cc1ccccc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 1184412 YQXLITNTPQZZEI-UHFFFAOYSA-N 363.804 4.724 0 50 FJAA Cc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1 1225245 BHBPBIOTHIHPLR-UHFFFAOYSA-N 350.462 4.687 0 50 FJAA C[C@H]1CC(C)(C)C[C@@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)O)C1 4092768 QQLVXYUIIGTHTC-KPZWWZAWSA-N 371.399 4.951 0 50 FJAA Cc1ccc(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c23)cc1 8603631 YRYPDNKWBZEPHA-UHFFFAOYSA-N 364.836 4.901 0 50 FJAA COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 15009910 ZKRFRGHBDXXRID-YBEGLDIGSA-N 359.834 4.585 0 50 FJAA Cc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 19760643 NEBLNBYMDBPDJL-UHFFFAOYSA-N 356.469 4.806 0 50 FJAA COc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)on2)c1 21791073 ZZYVDXIAEYPLEB-FQEVSTJZSA-N 362.429 4.636 0 50 FJAA CCn1nc(C)c(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)c1C 65394969 MORLJNGVEUHBCI-UHFFFAOYSA-N 372.472 4.804 0 50 FJAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc4cccc(C)c4n3C)[nH]c2c1 95353610 PGDDOYBNXSNTRG-IBGZPJMESA-N 372.472 4.649 0 50 FJAA O=C(Nc1c(F)cc(Cl)cc1F)N(C[C@H]1CCCO1)C1CCCC1 182797295 UZEAHPKMSFVXIS-CYBMUJFWSA-N 358.816 4.574 0 50 FJAA Cc1cc(C)cc(C(=O)Nc2ccccc2-c2nc3ccccc3nc2O)c1 239352618 ACTJMSXQYBBNMR-UHFFFAOYSA-N 369.424 4.872 0 50 FJAA O=C(NCc1ccccc1)c1cc(-c2ccccc2)nc2onc(C3CC3)c12 2325708517 VWEIYWUJTLQVJX-UHFFFAOYSA-N 369.424 4.697 0 50 FJAA COC(=O)c1sc(NC(=O)c2cc(C)c(-c3ccccc3)s2)nc1C 1053513 IWWRHOFJKKOCBL-UHFFFAOYSA-N 372.471 4.527 0 50 FJAA COc1ccc2ccccc2c1[C@H]1OC(=O)C(C)(C)C(=O)C12CCCCC2 1139898 QNFBYJCWZFTNFD-LJQANCHMSA-N 366.457 4.992 0 50 FJAA COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(Cl)c(Cl)c1 3002453 IVEHNWZXEQAEOI-INIZCTEOSA-N 354.258 4.781 0 50 FJAA O[C@@H](CN1CCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4159669 VXMFEHUNDKFMOF-HNNXBMFYSA-N 363.288 4.558 0 50 FJAA CCCn1c2ccccc2c2nnc(SCCOc3ccccc3)nc21 4623393 MCNQBHXVFALAOH-UHFFFAOYSA-N 364.474 4.561 0 50 FJAA OCC1(Cc2ccccc2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 12192705 NDWHGHUASWOFEF-UHFFFAOYSA-N 363.423 4.523 0 50 FJAA CC(C)CCN1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1 12587589 UUWPVMFNOYZRMJ-UHFFFAOYSA-N 357.523 4.507 0 50 FJAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(NCCC3=CCCCC3)c12 15003624 WKKSESHQFIAIFF-UHFFFAOYSA-N 372.538 4.783 0 50 FJAA CC(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 17118269 WBXGKUUECPTGHU-IEBWSBKVSA-N 371.278 4.975 0 50 FJAA CC(C)C(NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)C(C)C 19850225 WKFBFLSXYQHAFO-UHFFFAOYSA-N 364.533 4.655 0 50 FJAA CC(C)(C)OC(=O)N1CCC(COc2cccc(C(F)(F)F)c2)CC1 39954022 IJESRANHCPWDHN-UHFFFAOYSA-N 359.388 4.731 0 50 FJAA in-vitro Clc1cccc2ccc(CN3CCc4[nH]nc(-c5ccccc5)c4C3)nc12 67885019 DAODFIXEBQHJCD-UHFFFAOYSA-N 374.875 4.837 0 50 FJAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3cccc4ncccc34)c(C)c2c1 92022773 DDURSZLWGMQDBU-UHFFFAOYSA-N 357.457 4.914 0 50 FJAA Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 170630944 XGEZHQDJNPCJIE-RXVVDRJESA-N 366.505 4.628 0 50 FJAA Clc1cccc(CSc2nnc(NCCc3cccs3)s2)n1 174593056 MQPSMEXSHGRBGD-UHFFFAOYSA-N 368.940 4.595 0 50 FJAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc2cccnc12 253426076 FPNZJMIIPXODDG-UHFFFAOYSA-N 367.257 4.651 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(Cl)nc2)cc1 299794735 NOAFNGVTMBHPBS-SFHVURJKSA-N 372.900 4.556 0 50 FJAA C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)c1ccccc1Br 1473112303 KBTZCALXFSYBSU-YVEFUNNKSA-N 368.702 4.829 0 50 FJAA CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1C 1125196 LDPJBPJZJIFCJV-UHFFFAOYSA-N 362.267 4.646 0 50 FJAA COc1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl 1129070 QXMIBRCCYRGWOV-UHFFFAOYSA-N 370.301 4.552 0 50 FJAA COc1ccc(OCCOc2cc(C)c(Br)cc2C)cc1 2985334 ROQMHXICHTYYNU-UHFFFAOYSA-N 351.240 4.532 0 50 FJAA CCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 3772507 RPBOVUWGOQOEDY-KBXCAEBGSA-N 368.506 4.918 0 50 FJAA CCCCOc1ccc(C(=O)Nc2cccc(C(=O)OCC(C)C)c2)cc1 4957239 GQGJWZWRJPMLDS-UHFFFAOYSA-N 369.461 4.931 0 50 FJAA OCCCn1cnc(-c2ccccc2)c1-c1ccc([C@H]2CCCO2)s1 65385244 YJHHBQHRIGJVAJ-MRXNPFEDSA-N 354.475 4.513 0 50 FJAA Cn1c(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)cc2ccccc21 67871874 AFULMNBNMPOQCF-UHFFFAOYSA-N 367.456 4.675 0 50 FJAA C[C@H]1CCC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 96027853 DOMLQNJBAMPKKT-ZRCGQRJVSA-N 352.522 4.751 0 50 FJAA c1ccc(C2CCC(CN3CCC(OC[C@@H]4CCCO4)CC3)CC2)cc1 225450290 KGGVADKXESQGMO-IRSIHTCSSA-N 357.538 4.620 0 50 FJAA Cc1ccc(-c2c(C)sc3nc([C@H]4CCO[C@@H](C)C4)[nH]c(=O)c23)cc1 225559646 QMNRYINLNNVNGV-WFASDCNBSA-N 354.475 4.551 0 50 FJAA Cc1nc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(Cl)c1 252489772 JZYRYGGNIJWCBS-UHFFFAOYSA-N 362.820 4.635 0 50 FJAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CCC[C@]2(CCNC2)C1 299762336 UHZUQEQHKQKHGL-OAQYLSRUSA-N 369.896 4.614 0 50 FJAA CC(C)CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 485006014 BKNGSYUCFPJZQM-HNNXBMFYSA-N 369.465 4.524 0 50 FJAA CC(C)c1nc(SCCOc2ccc(Cc3ccccc3)cc2)n[nH]1 1875379420 UQDACJMMSAEQJU-UHFFFAOYSA-N 353.491 4.690 0 50 FJAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CCCCC2)s1 792743 BOFOJQBFTGZOOO-UHFFFAOYSA-N 368.462 4.802 0 50 FJAA O=S(=O)(NC1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1 953562 KKRVUVICDSKWSD-UHFFFAOYSA-N 365.882 4.743 0 50 FJAA CCOC(=O)c1cnc2c(OC)cccc2c1N[C@@H](C)c1ccccc1 953671 XGDWFWAYKFMITO-AWEZNQCLSA-N 350.418 4.593 0 50 FJAA O=C(OCC(=O)c1cccc2ccccc12)c1cccc(Br)c1 992878 MWIXQOSLDXAQNB-UHFFFAOYSA-N 369.214 4.642 0 50 FJAA COC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCC2 996653 JVHMARSQIAVDHI-UHFFFAOYSA-N 370.257 4.583 0 50 FJAA COc1ccccc1N1C(=O)c2ccc(Oc3ccc(C)c(C)c3)cc2C1=O 1155550 KAXJRYUVDFCLIJ-UHFFFAOYSA-N 373.408 4.905 0 50 FJAA CN(Cc1ccccc1)C1CCN(Cc2cccc(Br)c2)CC1 1166737 NPENXYMJUZLDCD-UHFFFAOYSA-N 373.338 4.546 0 50 FJAA CCc1ccccc1NC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2763510 ZZQPYYCLXFBXBQ-UHFFFAOYSA-N 369.358 4.918 0 50 FJAA COc1cc(C=O)ccc1OCCCCOc1cccc2ccccc12 2983523 KSGJCFZJHMBSRS-UHFFFAOYSA-N 350.414 4.899 0 50 FJAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 2991382 AEZWAZQWJNOWSK-UHFFFAOYSA-N 362.882 4.564 0 50 FJAA COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2C(=O)O)cc1 4012741 DWFYXILMWNVSHQ-JOCHJYFZSA-N 372.424 4.749 0 50 FJAA Cc1nc(SCC(=O)c2cccs2)c2c3c(sc2n1)CCCC3 4538761 MFANTNDNIXQANS-UHFFFAOYSA-N 360.529 4.915 0 50 FJAA Cc1cc(-n2cccn2)ccc1CN[C@H](C)c1cnn(-c2ccccc2)c1C 12583706 IBSYDUDBUBNKRE-GOSISDBHSA-N 371.488 4.526 0 50 FJAA CN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl 12762889 HBHKXDRUAROFLB-QGZVFWFLSA-N 370.905 4.977 0 50 FJAA O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)N2CCCCC2)c1 14567954 RQFNSZUPIRSIAG-UHFFFAOYSA-N 357.841 4.610 0 50 FJAA CC1CCN(C(=O)c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)CC1 20113016 XYGNPKRUMJMQFI-UHFFFAOYSA-N 371.868 4.856 0 50 FJAA C(=C/c1ccco1)\CN1CC[C@@H](c2ccnc(-c3ccc4c(c3)OCO4)c2)C1 65382061 QQWYCLGKHVBKAS-VUQTYRPGSA-N 374.440 4.573 0 50 FJAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1CCCNc1cccnc1 65455765 UKIDROHDVUBUHZ-KRWDZBQOSA-N 366.534 4.741 0 50 FJAA COc1cc(-c2c(-c3ccccc3)ncn2C2CC=CC2)cc(OC)c1O 65500059 CUCPNWZJMKFSAT-UHFFFAOYSA-N 362.429 4.831 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc23)cc1 77564336 SAFIWAUZDJTFRD-QHCPKHFHSA-N 373.500 4.664 0 50 FJAA O=C(c1ccc([C@@H]2CCCNC2)cc1)N(Cc1cccc(Cl)c1)C1CC1 215103644 PTZPWIYVMQSNGB-LJQANCHMSA-N 368.908 4.612 0 50 FJAA Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)o1 225554833 KTFMGRDYKBLJLI-SJFMBGHLSA-N 361.445 4.745 0 50 FJAA COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1cccc(C)c1 252483631 FGDYXDQCAPIROX-LJQANCHMSA-N 360.413 4.588 0 50 FJAA Cc1nc(C(=O)Nc2cc(F)c(F)c(F)c2)c(-c2ccc(F)cc2)s1 888104045 WZKNYQBBRCMIND-UHFFFAOYSA-N 366.339 4.927 0 50 FJAA CN(Cc1cc(O)ccc1Cl)[C@@H](CO)c1cccc(Cl)c1Cl 1473623801 VWLSEXRIHATGCZ-HNNXBMFYSA-N 360.668 4.518 0 50 FJAA C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ncc(-c2ccc(F)cc2)o1 1875322758 GKHRMNDMCDZTET-CYBMUJFWSA-N 365.408 4.929 0 50 FJAA C[C@@H](COC(=O)c1ccccc1Oc1ccccn1)c1cccc(F)c1 1875355022 XQCIPYBQKUIHFJ-HNNXBMFYSA-N 351.377 4.974 0 50 FJAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccccc1Cl 818523 XPUCHERNEUEEQV-UHFFFAOYSA-N 352.821 4.526 0 50 FJAA Cc1cccc(NC(=O)CSCc2cccc(Br)c2)c1 1168186 JQBVANHLSOWTBT-UHFFFAOYSA-N 350.281 4.629 0 50 FJAA O=C(CS[C@@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 2861659 UWSRESLNHSLMDP-JOCHJYFZSA-N 361.466 4.983 0 50 FJAA COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCCCC2 4611740 RNJGHYDPPHWQIY-UHFFFAOYSA-N 361.438 4.585 0 50 FJAA CCN(C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 5073580 QPLCNJXQNMFSGK-OCKRMRLHSA-N 363.586 4.625 0 50 FJAA Cc1cc(C)cc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1 8335836 GGZSMYDQTAFCIY-UHFFFAOYSA-N 366.440 4.948 0 50 FJAA COc1ccc2ccccc2c1CN1CCN(c2cc(C)ccc2C)CC1 19632813 NGIRFDAYSSAPMF-UHFFFAOYSA-N 360.501 4.787 0 50 FJAA Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccco3)C2)n1 20543400 UQVTWHOLPUWQII-QGZVFWFLSA-N 351.425 4.564 0 50 FJAA CCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3csc(C)n3)CC2)C1 91793806 LXQPKPUJVLKAQJ-FQEVSTJZSA-N 369.578 4.543 0 50 FJAA O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@@H]1CCc1ccccc1 135392282 JMVVIJRBQLMALZ-HXUWFJFHSA-N 373.456 4.506 0 50 FJAA O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)c1cc2c(F)ccc(F)c2[nH]1 164608647 KVFFXKYOEZSYSI-ACJLOTCBSA-N 374.431 4.590 0 50 FJAA CCCc1ccc(Oc2c(C)oc3c(C)c(C(=O)OC)ccc3c2=O)cc1 632212 BBDBAYCCAKPMQB-UHFFFAOYSA-N 366.413 4.941 0 50 FJAA COc1cc(/C=C/C(=O)NCc2ccccc2)ccc1OCc1ccccc1 951290 GXTIXFCMVWOQGS-FYWRMAATSA-N 373.452 4.604 0 50 FJAA Cc1ccc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1C 990815 UVHAMOYBMBXFII-UHFFFAOYSA-N 372.420 4.967 0 50 FJAA CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(C)c(Cl)c1 1114061 VFVBZZKKZGCGHQ-UHFFFAOYSA-N 371.893 4.902 0 50 FJAA Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1Cl 1124723 BLJAPQGKPPAVBL-VOTSOKGWSA-N 358.850 4.941 0 50 FJAA O=C(NC(=S)Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 1191132 OUZPZAPJAHIDAX-UHFFFAOYSA-N 356.834 4.727 0 50 FJAA COc1cccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)c1 1204046 KDFURNFASYQFII-UHFFFAOYSA-N 358.397 4.685 0 50 FJAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 1252047 CXMHWNROUDPUIX-UHFFFAOYSA-N 374.853 4.901 0 50 FJAA COC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C)cc2)cc1 1390721 WVLOAGFNLFSTDL-UHFFFAOYSA-N 361.397 4.826 0 50 FJAA CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)cc2)cc1 1771164 VFJOWUFYVQBHPQ-OVCLIPMQSA-N 367.445 4.694 0 50 FJAA C[C@@H]1CCc2c(sc3ncnc(SCCOc4ccccc4)c23)C1 1783374 ZZNAFZIFFZSIGG-CYBMUJFWSA-N 356.516 4.987 0 50 FJAA C[C@H]1CCC[C@@H](N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 2735243 SFOSMKKSCGZSAJ-WMZHIEFXSA-N 362.517 4.690 0 50 FJAA CC[C@@H](C)c1ccc(OCCOCCOc2ccc(C)cc2OC)cc1 2984804 SQXSCDRCSDLJPE-GOSISDBHSA-N 358.478 4.992 0 50 FJAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccs2)on1 3908489 DVQWTDIFTGGJCE-UHFFFAOYSA-N 354.309 4.554 0 50 FJAA COc1ccc(CN(C)Cc2nc(-c3ccc(C)s3)oc2C)cc1OC 12054255 FBILCMKKPXFYSA-UHFFFAOYSA-N 372.490 4.669 0 50 FJAA Cc1nc(-c2cccnc2)sc1C(=O)NC1CCC(C(C)(C)C)CC1 20607109 ZPCLYJYBZMBSTC-UHFFFAOYSA-N 357.523 4.848 0 50 FJAA CCN(Cc1nc(-c2cccs2)no1)C(=O)Nc1cccc(Cl)c1 65364006 HXNALOAPOPIKAQ-UHFFFAOYSA-N 362.842 4.506 0 50 FJAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N(Cc1ccsc1)C1CCCC1 95390415 JMHYOMMMEYIYNQ-GOSISDBHSA-N 372.534 4.525 0 50 FJAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)c(C)nc2c1 97619440 AIMRYLIIUDICFL-NRFANRHFSA-N 362.477 4.645 0 50 FJAA COc1ccc([C@@H]2CCCN2c2nsc(-c3ccccc3)n2)c(OC)c1 170606572 XLUVYVUJMKDZJO-KRWDZBQOSA-N 367.474 4.564 0 50 FJAA CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 239432779 WKJWFESSCHFAQW-GJEUKYARSA-N 374.528 5.511 0 50 FJAA CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 253596545 SPFIKHYEPDYDPC-IUSWFGLUSA-N 360.538 4.689 0 50 FJAA O[C@H](CNCc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 328589197 LINGJMRDKPJEKX-JOCHJYFZSA-N 367.876 4.742 0 50 FJAA CCCCOc1ccccc1C(=O)Nc1cccc(N2C(=O)CC[C@@H]2C)c1 952985366 BJUSLTYTWKDIJG-INIZCTEOSA-N 366.461 4.633 0 50 FJAA C[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1cccc(Br)c1 937222 HLESOSRNWJPNSY-NSHDSACASA-N 369.642 4.613 0 50 FJAA CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 1165921 YGAFLSYUSNRWEP-VQHVLOKHSA-N 363.244 4.994 0 50 FJAA CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Cl 1188598 NVCOSBIPZRVBSL-UHFFFAOYSA-N 354.631 4.754 0 50 FJAA C[C@H]1CC=C2C(=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)C1 1424276 UCSKNNCJVSCLSE-ZDUSSCGKSA-N 352.384 4.991 0 50 FJAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCC)cc2)cc1 2053713 KFIDWXPDRCRMRI-UHFFFAOYSA-N 356.491 4.555 0 50 FJAA CCc1cccc(NC(=O)CCCCC(=O)Nc2cccc(CC)c2)c1 2086654 POPIRJJEMIAYJB-UHFFFAOYSA-N 352.478 4.949 0 50 FJAA COc1cccc(C=O)c1OCCCOc1ccc(Cl)c2cccnc12 2863171 ZIAUTYNHGZPXGC-UHFFFAOYSA-N 371.820 4.557 0 50 FJAA CCOc1ccccc1OCCOCCOc1cc(C)ccc1C(C)C 2984335 GXJFPZFWAYRBKP-UHFFFAOYSA-N 358.478 4.992 0 50 FJAA COc1ccccc1CNCc1ccc(OC)c(OCc2ccccc2)c1 4133530 WRJGVDKLCQBWEF-UHFFFAOYSA-N 363.457 4.573 0 50 FJAA O=C(C[C@@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 5633784 NUIKPFYSXNMSBI-OAHLLOKOSA-N 355.242 4.812 0 50 FJAA CC(C)NC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 11842890 XJPVBBJBVJCUHK-SFHVURJKSA-N 368.452 4.505 0 50 FJAA CC[C@@H](C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 12242382 SEEAGKFBAOHZCY-AEFFLSMTSA-N 361.489 4.982 0 50 FJAA O=C(CC1=CCCCC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 12298136 UXLKTBRVFQDVKH-DEOSSOPVSA-N 371.484 4.928 0 50 FJAA Clc1ccc(-c2noc(-c3cccnc3NCc3ccco3)n2)cc1 20898177 VPLKKGQONTXYKB-UHFFFAOYSA-N 352.781 4.657 0 50 FJAA O=C(c1ccccc1)N1CCCC[C@H]1c1nc(-c2ccccc2Cl)no1 20912319 XPRZYRVBMJTMQJ-KRWDZBQOSA-N 367.836 4.757 0 50 FJAA O=C(c1ccccc1-c1ccccc1)N1CCCC[C@@H]1CCn1ccnc1 92037976 WLTRUWMSFSYZNS-HXUWFJFHSA-N 359.473 4.635 0 50 FJAA Cc1cc(C)cc(NC(=O)CSc2ccc(Br)cc2)c1 1134549 UMOLAKXYZHUFDP-UHFFFAOYSA-N 350.281 4.797 0 50 FJAA CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)ccc1O 1205840 CIVNAGHCGNNCOV-JOCHJYFZSA-N 374.440 4.870 0 50 FJAA O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)C1CCCCC1 2999083 YXTKLFGOROVLKV-UHFFFAOYSA-N 366.530 4.670 0 50 FJAA Cc1cccc(CSc2nnc(NC(=O)c3ccccc3C)s2)c1 3105525 PRTYQUDKFLQJKR-UHFFFAOYSA-N 355.488 4.700 0 50 FJAA O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccc(O)cc1 4802124 BMLBYSBCQNRQRS-VGOFMYFVSA-N 374.827 4.915 0 50 FJAA Cc1c([C@H](C)NCc2ccc(OC(F)F)cc2)cnn1-c1ccccc1 12030213 NBXFXGYKSGTDAM-AWEZNQCLSA-N 357.404 4.633 0 50 FJAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccccc2)c(Cl)c1 13846061 GVPLMAJOTQRHCH-HZPDHXFCSA-N 353.805 4.588 0 50 FJAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCCC[C@H]1CO 15072490 PNJICVHJGOOWOE-NRFANRHFSA-N 362.473 4.664 0 50 FJAA Cc1ccc(N[C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1C 15074357 CXINDQBHBZLVEM-LJQANCHMSA-N 366.534 4.627 0 50 FJAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)s1 15867140 NNMDBAHRADABPD-OAHLLOKOSA-N 358.463 4.934 0 50 FJAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 19228116 GCJVVHJCXORYCH-INIZCTEOSA-N 371.406 4.874 0 50 FJAA CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccco3)nc21 20603597 PRWOWGGLSTVEGF-MRVPVSSYSA-N 351.378 4.623 0 50 FJAA COc1c(F)cc(-c2ccc(C(=O)N3CCC[C@H](C)CC3)cc2)cc1F 426550991 CRRULGTVLFBOOG-AWEZNQCLSA-N 359.416 4.903 0 50 FJAA O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cc(-c2ccc(F)cc2)no1 952985734 GWVWUANFRDTYHT-UHFFFAOYSA-N 368.452 4.703 0 50 FJAA CSc1ccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)cc1 1506400408 MJYKGABMXLCIGD-UHFFFAOYSA-N 353.447 4.631 0 50 FJAA Cc1cc(C(=O)Nc2ccccc2SC2CCCC2)cc2nn[nH]c12 1875337494 WHVGTSJZNQPCEA-UHFFFAOYSA-N 352.463 4.553 0 50 FJAA CC(C)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)Cc2ccccc21 1875347247 SBQSSFIHHZOHCB-UHFFFAOYSA-N 368.908 4.629 0 50 FJAA O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N1CC2(CCC2)C[C@H]1C(F)(F)F 1875408247 RLESAGKOLMKXOW-XHSDSOJGSA-N 355.375 4.653 0 50 FJAA Cc1ccccc1C[C@H](CO)CN[C@H](C)C1(c2ccccc2)CCCC1 2325841579 AFZZYYXCSUSFPO-RTWAWAEBSA-N 351.534 4.636 0 50 FJAA CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccc3ccccc3c1)C2=O 792443 MOVUUDCSMCDLKQ-UHFFFAOYSA-N 365.388 4.996 0 50 FJAA C[C@@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1 852647 KNWDGZUFTMYBGN-ZHRRBRCNSA-N 374.484 4.706 0 50 FJAA COc1ccc(Cl)cc1Nc1ncnc2ccc(Br)cc12 951926 NMWMICPMLKZPNY-UHFFFAOYSA-N 364.630 4.798 0 50 FJAA CC[C@@H](C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C)c1ccccc1 1054985 CCRXFUPPFXRVLB-OAQYLSRUSA-N 361.489 4.989 0 50 FJAA Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc2)cc1 1072611 TVMNEIYQHVMIAU-UHFFFAOYSA-N 355.434 4.530 0 50 FJAA Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(Cl)cc1)CCC3 1149108 ONMPYEKLNCWFBC-UHFFFAOYSA-N 351.759 4.866 0 50 FJAA O=C(O)CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 2876014 KJSCFLBFCUTSBL-UHFFFAOYSA-N 368.216 4.979 0 50 FJAA Cc1ccccc1C1=N/C(=C(\c2ccccc2)c2ccccc2F)C(=O)O1 3129808 RTVRDCGAJMEWFW-QZQOTICOSA-N 357.384 4.897 0 50 FJAA CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1 5626886 YXEOMQVSXCTERS-CYBMUJFWSA-N 350.443 4.557 0 50 FJAA CCN(C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccccc1 6700633 JNVHYHFBPIZPPZ-UHFFFAOYSA-N 358.441 4.535 0 50 FJAA Cc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19770344 DLFJEYJDKJLRAF-UHFFFAOYSA-N 356.469 4.806 0 50 FJAA CCCc1cc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)no1 21719184 JBLIKDZPIBAISL-GOSISDBHSA-N 357.454 4.640 0 50 FJAA Cc1cccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)O)c1 25781540 HEMGJEQMDBBDMT-UHFFFAOYSA-N 365.191 4.992 0 50 FJAA CCN(Cc1ccncc1)C(=O)C[C@H](c1ccccc1)c1ccc(C)cc1 55357732 SZGTZHZRIMUHID-HSZRJFAPSA-N 358.485 4.961 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CCCC[C@H]3c3cccnc3)c2c1 72161405 FKMNMIPDOUSSSP-QFIPXVFZSA-N 359.473 4.868 0 50 FJAA Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1ccc2c(Cl)ccc(C)c2n1 170593129 HVVWEOSPUJBBCH-LLVKDONJSA-N 372.856 4.554 0 50 FJAA c1ccc(COc2ccc3c(Cn4nnc5ccccc54)c[nH]c3c2)cc1 1772572661 NEIGWBPKSFDTPH-UHFFFAOYSA-N 354.413 4.540 0 50 FJAA COc1cccc2c1OC[C@H](n1ccnc1-c1c(F)cccc1Cl)C2 1857734460 SRSFUEAREFKIJP-CYBMUJFWSA-N 358.800 4.527 0 50 FJAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)o1 704654 IHRCQZORFZBSIX-UHFFFAOYSA-N 368.536 4.967 0 50 FJAA COc1cc(OC)c(NC(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 2853064 KJSQCLRTAAUICX-UHFFFAOYSA-N 359.184 4.794 0 50 FJAA C/C=C/c1ccc(OCCOCCOc2ccc(C)c(C)c2)c(OC)c1 2986875 IOEATPZTEVIQSP-AATRIKPKSA-N 356.462 4.820 0 50 FJAA CCCC[C@@H](CC)Cn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 3169430 FWFRCBGFMVREKW-CQSZACIVSA-N 368.481 4.560 0 50 FJAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1cccs1)C3 4502358 YTFDULZHMSWNCQ-OAHLLOKOSA-N 359.454 4.679 0 50 FJAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 4911102 JJOTYPJJHAHWOU-CYBMUJFWSA-N 359.853 4.702 0 50 FJAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccn2)C1 12305071 DNTGSFAWVLLJCK-JOCHJYFZSA-N 356.469 4.844 0 50 FJAA O=C(c1ccc(F)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289837 UYPLDJVHOQKKTN-UHFFFAOYSA-N 358.775 4.860 0 50 FJAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCc2cccnc21 225505740 SSRWQGVSAXQOOM-HSZRJFAPSA-N 370.496 4.840 0 50 FJAA COc1ccc(-n2nc(C(=O)O[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2C)cc1 1352369482 GGZNMNFOLFFAQG-MBOZVWFJSA-N 368.477 4.705 0 50 FJAA C[C@H](C(=O)NCc1ccc(-c2cccc(Cl)c2)o1)c1ccc(O)cc1 1772811086 ONEWLZFMHRENMA-ZDUSSCGKSA-N 355.821 4.726 0 50 FJAA O=C(N1CC[C@H]2CC[C@@H](C2)C1)[C@]1(Cc2ccccc2)CCc2ccccc21 2325817783 WOUVLAPNKMSJJG-QVNIBDNGSA-N 359.513 4.762 0 50 FJAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)Cc1ccccc1 2588492 WUTXIZUDNIOOFH-ZDUSSCGKSA-N 354.837 4.664 0 50 FJAA CCOc1ccccc1OCCCOc1ccc(Br)cc1 2991409 IIKHQVUYFMNNIT-UHFFFAOYSA-N 351.240 4.696 0 50 FJAA Cc1ccc(-n2ncc3c(N(CC(C)C)CC(C)C)ncnc32)c(C)c1 3912231 QLMGUTMPFXNXME-UHFFFAOYSA-N 351.498 4.551 0 50 FJAA C[C@H]1C[C@H](C)CN(CCOCCOc2cccc(Oc3ccccc3)c2)C1 4914596 AKMNCHYPLKUWEV-PMACEKPBSA-N 369.505 4.852 0 50 FJAA Cc1ccc(Cn2ccc(NC(=S)Nc3cccc(Cl)c3)n2)cc1 13330866 XAPRPWCTMRXLPB-UHFFFAOYSA-N 356.882 4.702 0 50 FJAA CCC[C@H](C)c1n[nH]c2c1CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 19608370 MZUGPDVKLYDSDC-KXBFYZLASA-N 357.498 4.706 0 50 FJAA CCc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3cccc(OC)c3)c2c1 77340149 DKGAJKRMGOIPRQ-JOCHJYFZSA-N 360.457 4.701 0 50 FJAA C[C@@H](CCN(C)C(=O)c1ccc(-c2cc(F)ccc2F)cc1)N1CCCC1 426430973 FULMQULGMKSHTB-INIZCTEOSA-N 372.459 4.578 0 50 FJAA COc1ccccc1Oc1ccc(NC(=O)c2csc(C(C)C)n2)cn1 824827483 BPFYUCBJLYVWHT-UHFFFAOYSA-N 369.446 4.715 0 50 FJAA CC(=O)c1ccc(C(=O)N(Cc2ccccc2)Cc2scnc2C)s1 1506396060 FNOCJRJHKWYQKJ-UHFFFAOYSA-N 370.499 4.558 0 50 FJAA COCCN(Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)[C@H]1CCC[C@@H]1C 1875355879 DDZQQSNPVUWCGX-YWZLYKJASA-N 373.928 4.742 0 50 FJAA CN(C)CC[C@@H](N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cccnc1 2325828240 BRKZLORPXMPWRL-MSOLQXFVSA-N 364.320 4.658 0 50 FJAA O=C(c1csc2ccccc12)N1CCOC[C@H]1c1cccc(Cl)c1 2325864684 WQOMISUXSYBTAE-KRWDZBQOSA-N 357.862 4.768 0 50 FJAA Fc1ccccc1N1CCN(CC(c2ccccc2)c2ccccc2)CC1 753460 PQYUGFBLWRFQTR-UHFFFAOYSA-N 360.476 4.780 0 50 FJAA C[C@@H](NC(=O)CSCc1cccc(Br)c1)c1ccccc1 754770 KGHWVVDUKMPSJY-CYBMUJFWSA-N 364.308 4.560 0 50 FJAA CCN1C(=O)c2cccc3c(NC(=O)c4cccc(Cl)c4)ccc1c23 954858 OUCHGUFADSRMLY-UHFFFAOYSA-N 350.805 4.726 0 50 FJAA Cc1cc(C)cc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)c1 1075401 HJZWNDGKCPNRGV-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA CCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 1203991 YHEZOZMOYZINOK-UHFFFAOYSA-N 351.233 4.984 0 50 FJAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 3904016 BQGYJXUCEMXLFA-UHFFFAOYSA-N 363.804 4.724 0 50 FJAA O=C1OC(c2ccccc2)=N/C1=C\c1cccc(OCc2ccccc2F)c1 4627743 FNDWWTNHRMVYSZ-STZFKDTASA-N 373.383 4.749 0 50 FJAA CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 13030944 YCVSHZCZXMZACN-CQSZACIVSA-N 355.869 4.715 0 50 FJAA CC1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)CC1 20112868 PKWJHDUVYZCNGV-UHFFFAOYSA-N 371.868 4.856 0 50 FJAA O=C(CCCCCCCCC(=O)[C@H]1CCCCC1=O)[C@@H]1CCCCC1=O 25627909 RAOXNINWQAFWNG-HDICACEKSA-N 362.510 4.764 0 50 FJAA CC(=O)c1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 55031674 SCGHTACBHPYRDD-UHFFFAOYSA-N 363.288 4.518 0 50 FJAA CO[C@@H](Cn1cnc(-c2ccccc2)c1CCSC)c1cccs1 63845010 VRYVVJVXXAIKGL-KRWDZBQOSA-N 358.532 4.905 0 50 FJAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1 63846725 NXVXMRSLGSRLGF-HNNXBMFYSA-N 372.472 4.502 0 50 FJAA CCC(CC)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67896392 SFFDMSXKVPVVTK-UHFFFAOYSA-N 366.383 4.945 0 50 FJAA O=C(c1cccs1)[C@@H]1CCCN(Cc2cncn2C2CCCCC2)C1 1506404343 CITMNQJHERXMHW-MRXNPFEDSA-N 357.523 4.545 0 50 FJAA C[C@H](C(=O)Nc1nccc(-c2ccccc2)n1)c1ccc(F)c(Cl)c1 1875332301 VKEGHFUGHMOVGD-LBPRGKRZSA-N 355.800 4.678 0 50 FJAA CC(C)(C)c1ccc(C2(CNC(=O)c3cc(O)nc4ccccc34)CC2)cc1 1875341117 GZOQSBUULUDIEF-UHFFFAOYSA-N 374.484 4.700 0 50 FJAA O=C1CCc2cc(NC3CC(c4ccccn4)C3)ccc2N1CC1CCC1 2325734427 QWQQOLJKTXGCPV-UHFFFAOYSA-N 361.489 4.519 0 50 FJAA CSc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C)c2c1 758713 GEXVYMGUKFUFCA-UHFFFAOYSA-N 367.493 4.731 0 50 FJAA Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1I 1175228 GTXDDMQMTSBSNS-UHFFFAOYSA-N 371.605 4.505 0 50 FJAA Cc1c(NC(=O)COc2ccccc2)cccc1-c1nc2ccccc2o1 1212513 MFSGQJDZVQDLCC-UHFFFAOYSA-N 358.397 4.821 0 50 FJAA Cc1ccc(C)c(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)c1 5027807 STWFQBGVFHLJTE-UHFFFAOYSA-N 369.461 4.838 0 50 FJAA c1nc2sc3c(c2c2nc(CC45CC6CC(CC(C6)C4)C5)nn12)CCC3 6830017 XTTZDOAHIOGBPO-UHFFFAOYSA-N 364.518 4.587 0 50 FJAA Cc1ccc(Cl)c(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)c1 13425422 GAKXMGPYGDIPID-HNNXBMFYSA-N 358.869 4.561 0 50 FJAA COc1ccc2ccccc2c1CN1CCN(c2cccc(Cl)c2)CC1 16662751 MLUICTWTQYKFSY-UHFFFAOYSA-N 366.892 4.824 0 50 FJAA CCCCOP(=O)(OCCCC)O/C(C)=C/C(=O)N1CCCCC1 22014736 CSTLSQQVQSEGQE-FOCLMDBBSA-N 361.419 4.661 0 50 FJAA CC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 25558330 FEMOJAYPUQHRMJ-SJLPKXTDSA-N 357.251 4.729 0 50 FJAA CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)cc1 44935792 QTLBTQNDHRDJAT-QFIPXVFZSA-N 368.496 4.614 0 50 FJAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccc(F)cc2)CCO3)s1 67821628 CLCJIWWXQBSZGX-UHFFFAOYSA-N 369.461 4.963 0 50 FJAA Cc1[nH]cnc1CN1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71749371 LGQORFXWGJDKFR-MRXNPFEDSA-N 351.416 4.582 0 50 FJAA c1ccc(-c2cc(CN3CCCC[C@@H]3CCc3cccs3)on2)nc1 77341744 JANCJAJJZWEDQL-MRXNPFEDSA-N 353.491 4.785 0 50 FJAA Cc1ccc2nc([C@H]3CCCN3Cc3cc(-c4ccccc4)no3)[nH]c2c1 77503248 MGROQUZCUXKBBW-OAQYLSRUSA-N 358.445 4.863 0 50 FJAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3nc(C(C)C)no3)oc2c1 91636567 KTASUDHFZBGDQV-INIZCTEOSA-N 367.449 4.923 0 50 FJAA Cc1ccc2nc(C)c(C)c(C(=O)N(C)Cc3nc4c(C)cccc4[nH]3)c2c1 95497855 XRUAKRBGUAHJAF-UHFFFAOYSA-N 372.472 4.617 0 50 FJAA O=C(Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1)C1CC1 170633582 PNYBAMLDIYMGRR-UHFFFAOYSA-N 373.334 4.789 0 50 FJAA Cc1c(COC(C)C)cccc1NC(=O)c1cc(C)n(-c2ccccc2)n1 173338863 AAYLYZDEMWXKPP-UHFFFAOYSA-N 363.461 4.666 0 50 FJAA CCOc1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239297295 DZBNRLJJOLPANB-MAKQCAJESA-N 368.304 4.880 0 50 FJAA CN(Cc1ccc(OC2CCNCC2)cc1)Cc1cc2ccccc2s1 299790976 CDYCKVSWPKAGDX-UHFFFAOYSA-N 366.530 4.664 0 50 FJAA Cc1cc(F)ccc1N1CCC(N[C@H](c2ncccc2C)C2CC2)CC1 1506402945 LCKOPQLPKUPZQW-QFIPXVFZSA-N 353.485 4.547 0 50 FJAA C[C@@H](CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccs1 1875260746 UGEHSNYJGQNZSF-LBPRGKRZSA-N 354.450 4.846 0 50 FJAA COC(=O)c1ccc2nc(N3CCCC[C@@H]3c3ccc(F)cc3F)oc2c1 1875307261 LVQPPOFTGXYWNC-QGZVFWFLSA-N 372.371 4.624 0 50 FJAA COc1ccc2c(CC(=O)NC3CCC(c4ccccc4)CC3)c[nH]c2c1 1875332843 NORQJCXJBACDSG-UHFFFAOYSA-N 362.473 4.562 0 50 FJAA Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 633956 BFQKOOUXEDUCTH-HOTGVXAUSA-N 363.223 4.870 0 50 FJAA Cn1c2ccccc2c2nnc(SCc3ccc(F)cc3Cl)nc21 1068183 TXUSCZDMSOFHDV-UHFFFAOYSA-N 358.829 4.601 0 50 FJAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccccc2)cc1 1177148 FSSGRJBCLORENC-UHFFFAOYSA-N 370.408 4.767 0 50 FJAA Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 1461207 HBZQALZMAAWLFO-CYBMUJFWSA-N 357.475 4.787 0 50 FJAA CC(C)CCN1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 11881048 KBBACMDSWHHXTE-JOCHJYFZSA-N 353.506 4.593 0 50 FJAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2Cl)cc1 18176500 TZFHBGLWXOGWNA-CALCHBBNSA-N 367.832 4.896 0 50 FJAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4Cl)cc3)C(=O)[C@@H]21 18241344 DQBMCXZHIPBGIK-ACWOFJMJSA-N 367.832 4.834 0 50 FJAA CC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 53033331 MMDSMVDUSXQYCV-UHFFFAOYSA-N 363.288 4.518 0 50 FJAA COc1ccc(-c2nc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)c(C)o2)cc1C 102103922 GFGJVVOCBZCZCS-NXWIVVFCSA-N 366.505 4.978 0 50 FJAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1NC(=O)C1[C@@H]2CCCC[C@@H]12 247993048 NWCBYUQVZYGLIH-LYYGHALDSA-N 366.505 4.744 0 50 FJAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)/C(=C/CO)CC[C@H]32)C1 253612388 MIPBKEDUAJVNOP-LIAUPHTBSA-N 358.522 4.800 0 50 FJAA Fc1cc(Cl)cnc1N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 466829687 XQXSMUMBTDCZKT-AWEZNQCLSA-N 351.212 4.745 0 50 FJAA CO[C@H](c1ccccc1F)[C@H](C)Nc1nc2cc(C)nn2c2ccccc12 1458275077 HDIVWEALCYGIPV-XOBRGWDASA-N 364.424 4.518 0 50 FJAA CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(CCC2CCCC2)C1 1875335128 SVLZJCAEHVBZGK-NRFANRHFSA-N 356.554 4.711 0 50 FJAA Cc1cc(-c2ccccc2)ccc1NC(=O)NCCCOc1ccncc1 2325740117 PMARFVAHVMDQMM-UHFFFAOYSA-N 361.445 4.648 0 50 FJAA Cc1nc2ncccn2c1-c1csc(Nc2cccc(Cl)c2C)n1 643735 DLISEPJWPLBKED-UHFFFAOYSA-N 355.854 4.867 0 50 FJAA COC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 951922 KJFBJZLCKKGVAF-UHFFFAOYSA-N 361.426 4.889 0 50 FJAA CC1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1 953561 BNUDFIZGAVVYSK-UHFFFAOYSA-N 365.882 4.553 0 50 FJAA Cc1cc(C)nc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 1073797 KAIHKONGLVPKKK-UHFFFAOYSA-N 354.413 4.561 0 50 FJAA CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 1206641 DZVGWBXKGMSKFM-UHFFFAOYSA-N 373.412 4.929 0 50 FJAA O=C(NC1CCCC1)c1ccc(COc2ccccc2Br)cc1 2752217 KHOOCPLENNYZMX-UHFFFAOYSA-N 374.278 4.701 0 50 FJAA COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4247983 OBQVWYLPVNCYNB-UWJYYQICSA-N 362.454 4.999 0 50 FJAA O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 4312506 UTOIMBUDMVVBPN-JOCHJYFZSA-N 369.399 4.966 0 50 FJAA COc1ccc(-n2c(/C=C/c3ccc(C)cc3)nc3ccccc3c2=O)cc1 4873190 RSZSWIJSHIHQFT-LFIBNONCSA-N 368.436 4.873 0 50 FJAA CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1c(F)cccc1Cl 8587044 OJHBIUMMDSOMIZ-IBGZPJMESA-N 371.843 4.561 0 50 FJAA Cc1ccc(NC(=O)Nc2nnc(Cc3ccccc3F)s2)cc1C 8739262 BUIMYEJAGGTCCC-UHFFFAOYSA-N 356.426 4.529 0 50 FJAA Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)n1 12299998 BFCUQMFZVJPDEM-SFHVURJKSA-N 367.880 4.552 0 50 FJAA CC(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 16651258 SHQDGADJDHALFU-UHFFFAOYSA-N 372.424 4.702 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 36620356 IKXVAIDZLYWJAN-LJQANCHMSA-N 352.434 4.541 0 50 FJAA CCN(Cc1cnn(CC)c1)C(=O)Nc1cccc(SC(F)(F)F)c1 96135782 YQDQAYNIOZUODJ-UHFFFAOYSA-N 372.416 4.569 0 50 FJAA O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 166714381 TYRSUUSHGPMFIA-QGTPRVQTSA-N 373.374 4.779 0 50 FJAA O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 170635770 ISZJDLKIEWEXHY-LSDHHAIUSA-N 367.811 4.678 0 50 FJAA Cc1ccccc1-c1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1 220206038 XUVYNSVWGCVBSS-UHFFFAOYSA-N 362.517 4.753 0 50 FJAA C[C@@H](C(=O)Nc1cc(F)ccc1F)c1cccc(C(=O)c2ccccc2)c1 238791229 YSKJAAMQSYTRQE-CQSZACIVSA-N 365.379 4.938 0 50 FJAA CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2ncccc2N)cc1)c1cccnc1 426526862 LIYFIBAAGMUAHN-HXUWFJFHSA-N 374.488 4.633 0 50 FJAA C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccsc1 1875260969 PEFQRJGXFBLZQQ-HNNXBMFYSA-N 373.481 4.892 0 50 FJAA Cc1ncc2c(n1)[C@@]1(CCCN(c3nc4ccc(Cl)cc4s3)C1)CC2 2356156637 LHCBLZVXBBWYJL-IBGZPJMESA-N 370.909 4.533 0 50 FJAA Cc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 1104454 NHFDXVVSUBBWCA-UHFFFAOYSA-N 366.442 4.643 0 50 FJAA CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc(C)c1CC 1113655 QGJMCZBMRGLUMQ-MRXNPFEDSA-N 359.491 4.928 0 50 FJAA Cc1ccc(-c2nc(=S)c3c(n2C[C@@H]2CCCO2)CC(C)(C)OC3)cc1 1122669 BZFRFPLPCLWNCP-INIZCTEOSA-N 370.518 4.618 0 50 FJAA Brc1ccc(-c2noc(COc3ccc4ccccc4c3)n2)o1 1444575 ZPBQWWORHUMUCN-UHFFFAOYSA-N 371.190 4.824 0 50 FJAA CC1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc23)CC1 1460378 WTPVDBVFXGEBSS-UHFFFAOYSA-N 365.864 4.822 0 50 FJAA Cc1ccc(-n2c(S)nnc2CSCc2ccccc2C)cc1C 6401683 KKRZTKOADGILGP-UHFFFAOYSA-N 355.532 4.915 0 50 FJAA Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 8619094 LKXXXMKKIHSXTF-JOCHJYFZSA-N 370.452 4.639 0 50 FJAA Cc1csc(NC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)n1 12000155 WUVFYNAXILIWQF-ZDUSSCGKSA-N 357.504 4.736 0 50 FJAA O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCCCCCC1 12476316 WKDRENWRWGPZAL-FQEVSTJZSA-N 365.473 4.730 0 50 FJAA Cc1cc(Nc2ccc(Br)cc2)nc(-c2ccccc2O)n1 13126129 ITTBNSBANZGQEU-UHFFFAOYSA-N 356.223 4.664 0 50 FJAA Cc1ccccc1NC(=S)Nc1ccn(Cc2c(F)cccc2Cl)n1 13330348 NYFZHKXNFWQGGK-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA CCc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)s1 15011164 SDQVRCFRWVGNIG-ATVHPVEESA-N 373.499 4.734 0 50 FJAA COC1(OC)[C@@]2(Cl)C=C(c3ccccc3)[C@@]1(Cl)C(Cl)=C2Cl 100285641 ZJISSEZHGZUVDT-ZIAGYGMSSA-N 366.071 4.731 0 50 FJAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1C 100648065 KUKBSHVJLPOOSH-SNHGZMDHSA-N 361.441 4.631 0 50 FJAA O=c1[nH]c(-c2nccs2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 225746723 CHOOZGLVHUVRJE-UHFFFAOYSA-N 373.359 4.732 0 50 FJAA CCc1nc2cc(NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)ccc2o1 252481041 CHAWPMBAPPFCPR-ZDUSSCGKSA-N 355.360 4.585 0 50 FJAA CC(C)c1nc2ccccc2n1Cc1noc(C2(Cc3ccccc3)CC2)n1 445660794 WVMKOSPKACYFPH-UHFFFAOYSA-N 372.472 4.865 0 50 FJAA Cc1ncsc1CCN(C)C(=O)c1ccc(CSc2ccccc2)o1 1506397632 WYHZACRAKGJVPE-UHFFFAOYSA-N 372.515 4.652 0 50 FJAA c1ccc(CCC[C@@H]2CCCN(C3=NCCN3Cc3ccccc3)C2)cc1 1875345343 WOBIGSSVCORTIV-HSZRJFAPSA-N 361.533 4.593 0 50 FJAA CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCCC1)C[C@H]3O 2084329492 QYTWXTDWXNMJCJ-MRXNPFEDSA-N 356.462 4.963 0 50 FJAA Cc1cc(C)nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1 834741 CQAKAYSDHPAQEJ-UHFFFAOYSA-N 365.458 4.617 0 50 FJAA CCn1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cn1 2762464 PGZJEEIDWPXIHM-UHFFFAOYSA-N 362.458 4.740 0 50 FJAA Nc1c(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c2ccccc2[nH]c1=O 4552253 LNRZCKGLQZHZPL-UHFFFAOYSA-N 372.268 4.815 0 50 FJAA O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccccc1F 4699374 ZXABSZMWPOAWPQ-KGENOOAVSA-N 372.399 4.586 0 50 FJAA Cc1noc(-c2ccc(-c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)n1 8600959 NLYYYHDWEUOBHO-UHFFFAOYSA-N 372.306 4.781 0 50 FJAA C[C@H](Cc1cc(C(=O)NCc2cccc(Cl)c2)on1)c1ccccc1 11882453 WNOOTNUIGUGYLE-CQSZACIVSA-N 354.837 4.604 0 50 FJAA O=C(c1ccc(CN2CCCC2)o1)N(Cc1ccsc1)C1CCCCC1 97553390 PVTRNSLMGGWARQ-UHFFFAOYSA-N 372.534 4.912 0 50 FJAA c1ccc(-c2ncc(CN3CCCC[C@H]3CCc3cccs3)cn2)nc1 952960156 ANXFXXQVELGDCI-SFHVURJKSA-N 364.518 4.587 0 50 FJAA Cc1nc(C(C)C)sc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C 952990637 XKBVFBHPPSITCF-UHFFFAOYSA-N 373.522 4.664 0 50 FJAA CC1(C)CCc2cc(NC(=O)Nc3c[nH]nc3-c3ccccc3)ccc2O1 1875332004 JMNCYQVVXQRZTF-UHFFFAOYSA-N 362.433 4.824 0 50 FJAA CCCCC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)c1ccccc1 2325842257 SHUHTTVDAHPRFW-KRWDZBQOSA-N 367.424 4.526 0 50 FJAA O=C(Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1)c1ccccc1 828497 AUCDGWBCUYSRAV-UHFFFAOYSA-N 350.805 4.845 0 50 FJAA O=c1oc2cc(OCc3cccc(Br)c3)ccc2c2c1CCC2 1153002 FRDHOCSGHQBJOU-UHFFFAOYSA-N 371.230 4.623 0 50 FJAA COc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1Cl 1158879 QXHLUILLGNFIAF-UHFFFAOYSA-N 354.631 4.672 0 50 FJAA COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)OC1=O 1189615 LYKBOMJGMCMKTQ-JLHYYAGUSA-N 369.829 4.908 0 50 FJAA CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ccc3ccccc3n2)cc1 5626884 YXEOMQVSXCTERS-ZDUSSCGKSA-N 350.443 4.557 0 50 FJAA CC1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CC1 10460615 RBASLFAXMJRNCU-UHFFFAOYSA-N 371.868 4.856 0 50 FJAA CCCN(Cc1cccnc1)CC1CCN(Cc2ccccc2C)CC1 11937792 GSBDJZKERJKFIH-UHFFFAOYSA-N 351.538 4.514 0 50 FJAA Cc1ncc(C(=O)N(Cc2ccco2)[C@@H](C)C(C)C)c(-c2ccccc2)n1 215382443 UQGVXONGXQJOFD-INIZCTEOSA-N 363.461 4.732 0 50 FJAA O=C(Nc1ccc(Cl)cc1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 263639768 ICLFKKYPFGGENU-IUCAKERBSA-N 374.712 4.935 0 50 FJAA Cc1c(C(=O)O)sc2ncnc(NCc3cc4ccccc4s3)c12 299788808 XQLKYUGYJBAFOZ-UHFFFAOYSA-N 355.444 4.525 0 50 FJAA Cc1c(-c2ccccc2)oc2c(C(=O)N3C[C@@H]4CCCC[C@@H]43)cccc2c1=O 855062418 LVPREOZKWOYZSV-PXNSSMCTSA-N 373.452 4.783 0 50 FJAA C[C@H](c1ccccc1Cl)N(C)C[C@@H](O)c1ccccc1Br 1473112302 KBTZCALXFSYBSU-SJKOYZFVSA-N 368.702 4.829 0 50 FJAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 676863 YEHSAGBONZQHDI-ZDUSSCGKSA-N 362.267 4.980 0 50 FJAA COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 806980 YIQXVZNVTZETOY-UHFFFAOYSA-N 374.396 4.764 0 50 FJAA Cn1c(=O)cc2c3c(c(Oc4ccccc4)ccc31)C(=O)c1ccccc1-2 826730 KYXGKZOHYMAYHE-UHFFFAOYSA-N 353.377 4.542 0 50 FJAA Cc1occc1C(=O)Nc1sc(C)c(C)c1C(=O)NC1CCCCC1 1056179 BJNZNWLPGMEUJH-UHFFFAOYSA-N 360.479 4.581 0 50 FJAA C[C@H](CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1 1157194 JRRGRGRVKOQUPO-CYBMUJFWSA-N 371.893 4.915 0 50 FJAA Cc1ccc(C(=O)C[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 1213637 CWPMAAZRCOYOMN-OAQYLSRUSA-N 368.454 4.684 0 50 FJAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 4834333 ROJYUGWKHIRYCK-FQEVSTJZSA-N 366.505 4.559 0 50 FJAA CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1 5626738 IMXYZXQAJSKCKC-CQSZACIVSA-N 350.443 4.557 0 50 FJAA Cc1cc(C)c(C(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)o1 12712414 HOCVJGBYFJYMMP-GOSISDBHSA-N 363.461 4.506 0 50 FJAA Cc1ccc(Cl)cc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1 13330906 SWNQEYAZRKNIQX-UHFFFAOYSA-N 374.872 4.841 0 50 FJAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 15077495 IKPXAEVVZRHRAG-OAHLLOKOSA-N 374.937 4.770 0 50 FJAA O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)Nc1ccccc1F 17163238 CLCMKCHUXQLAGZ-UHFFFAOYSA-N 372.469 4.789 0 50 FJAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36620818 DAOCGHNGQVNEQO-SFHVURJKSA-N 372.852 4.886 0 50 FJAA CC(C)CC1=C2CC[C@H](OCOCC[Si](C)(C)C)[C@@]2(C)CC[C@@H]1O 169830265 WUECEMOVPCTGRY-UFYCRDLUSA-N 354.607 4.981 0 50 FJAA Cn1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)cn1 210092662 FKJSWHYKDJNFJM-IHPCNDPISA-N 356.473 4.553 0 50 FJAA O=C(c1ccc(C(F)(F)F)cc1)N1CCc2ccc(N3CCCC3)cc21 1857797677 DGGQAQGIXOMVPN-UHFFFAOYSA-N 360.379 4.509 0 50 FJAA Cc1ccc(-n2cc(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)nn2)cc1 1875317828 JZPOBMGQSPBMNW-HSZRJFAPSA-N 371.488 4.784 0 50 FJAA CC(C)(C)c1cccc(CCNC(=O)CCCc2nc3ccccc3o2)c1 2325729473 UJGHBCZEMOGILK-UHFFFAOYSA-N 364.489 4.807 0 50 FJAA O=C1C[C@@H](CNCc2cccc(-c3ccccc3F)c2)c2ccccc2N1 2325743960 JLAJBKMTKMVEJO-SFHVURJKSA-N 360.432 4.708 0 50 FJAA Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 2325817737 RHBFECPCYPDPCD-IMACORPNSA-N 369.508 4.922 0 50 FJAA CCOc1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 678484 LOYBTKDGMKWHFY-UHFFFAOYSA-N 356.491 4.510 0 50 FJAA COCc1cc(C)nc2sc(C3=NC(C)(C)Cc4ccccc43)c(N)c12 974271 IXBPGFDDXMJLFX-UHFFFAOYSA-N 365.502 4.505 0 50 FJAA Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1F 1063674 AWZWYFYJJXIZFV-UHFFFAOYSA-N 364.445 4.928 0 50 FJAA c1ccc(CNCC[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 1833887 DAQYQXCZLPUQGW-QFIPXVFZSA-N 359.469 4.922 0 50 FJAA biogenic Cc1cccc(NC(=O)CSc2nccc(-c3cccs3)n2)c1C 2805475 RMKBTAPFLFRPPF-UHFFFAOYSA-N 355.488 4.553 0 50 FJAA CCCOc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2830030 CHALJKDWVIVQCX-UHFFFAOYSA-N 367.367 4.684 0 50 FJAA COc1ccccc1-n1cnc2cc(NC(=O)c3cccc(C)c3)ccc21 4811897 LYRRMFIMWRSQQP-UHFFFAOYSA-N 357.413 4.595 0 50 FJAA COc1ccc(-n2c([C@@H]3C[C@@H]3c3ccc(Cl)cc3)n[nH]c2=S)cc1 7275914 QKLMFWKDGOWBSV-HZPDHXFCSA-N 357.866 4.863 0 50 FJAA Fc1ccccc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 19359624 OWMKMECJCDRYTM-UHFFFAOYSA-N 352.497 4.670 0 50 FJAA CCOC(=O)c1ccc(C)nc1Oc1ccc(NC(=O)OC(C)(C)C)cc1 44124323 FPPBTPFZXUPANU-UHFFFAOYSA-N 372.421 4.706 0 50 FJAA Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)CCc1cccnc1 55253659 DNKVOFHEWHJGHF-UHFFFAOYSA-N 373.456 4.522 0 50 FJAA Cc1nc(-c2cc([C@@H](C)N[C@H](C)c3nnc4n3CCCC4)cs2)cs1 130961420 GGZSAJUIUKGONC-VXGBXAGGSA-N 373.551 4.520 0 50 FJAA O=C(OCC[C@H]1CC1(F)F)c1ccccc1SCc1cscn1 851378625 SHVHSDVKWAWXRW-NSHDSACASA-N 355.431 4.638 0 50 FJAA COc1c(F)c(F)c(CN(C)[C@@H](C)c2nc(C)sc2C)c(F)c1F 1772703181 ZMPMDHPYPHDZGO-ZETCQYMHSA-N 362.392 4.518 0 50 FJAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1C[C@@H]2CCCCC[C@@H]21 2325747191 IYLMZDAXBGVLJO-JTSKRJEESA-N 357.457 4.702 0 50 FJAA COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2SCCC3)cc1 623137 AXWUWOOJFFNRST-UHFFFAOYSA-N 357.886 4.590 0 50 FJAA O=C(NC(=O)c1cccc2ccccc12)Nc1ccccc1Br 625521 XGNQQVNWQFLWNZ-UHFFFAOYSA-N 369.218 4.564 0 50 FJAA COc1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 671603 GCFGWXBMCBZLHL-UHFFFAOYSA-N 364.397 4.599 0 50 FJAA COc1ccc(C2(CNC(=O)c3ccccc3Cl)CCCC2)cc1OC 797608 FBIQPQGUALVDCL-UHFFFAOYSA-N 373.880 4.599 0 50 FJAA CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4Cl)ccc1c23 934392 FNCDSJPIKXJOMA-UHFFFAOYSA-N 350.805 4.726 0 50 FJAA Cc1ccccc1NC(=O)Nc1nnc(COc2ccccc2Cl)s1 1168784 XKEMCKDUNZOORB-UHFFFAOYSA-N 374.853 4.723 0 50 FJAA Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c(C)c1 1221337 ANTOKMBZUBDKBE-UHFFFAOYSA-N 355.459 4.729 0 50 FJAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 1775675 WIHQTHGZJMRXAI-NTUHNPAUSA-N 369.461 4.923 0 50 FJAA Brc1ccccc1CNCc1ccccc1Br 2382612 LJFMBTCJNJSOJE-UHFFFAOYSA-N 355.073 4.501 0 50 FJAA COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2OC)cc1Cl 4956970 NUTVQVZCTUVDPW-UHFFFAOYSA-N 371.820 4.771 0 50 FJAA COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 12080484 OBQVWYLPVNCYNB-DYESRHJHSA-N 362.454 4.999 0 50 FJAA CC(C)CCN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 12317914 UKRXLKSGUJDVER-OAQYLSRUSA-N 367.493 4.713 0 50 FJAA CCOc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 12575455 VRCVATNTWXYAJU-HNNXBMFYSA-N 353.441 4.569 0 50 FJAA CC1(C)[C@H]2c3c(cc(O)c(C(=O)c4ccccc4)c3O)O[C@@]3(C)CC[C@@H]1[C@@H]23 13403686 BQIVXBUAUNSLAJ-KKIPCARGSA-N 364.441 4.630 0 50 FJAA biogenic,in-vitro CCN(Cc1ccsc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 20455930 GKDRDQFBAIXGIS-FQEVSTJZSA-N 372.578 4.533 0 50 FJAA CCc1nc(C)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 77356456 GSEOQBUWUTYKBR-AWEZNQCLSA-N 357.504 4.601 0 50 FJAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 77556480 FEXDZPDCRFWILT-QFIPXVFZSA-N 361.489 4.597 0 50 FJAA CC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1CN1CCCCC1 95518213 DNKXRTOKBQKQDM-NRFANRHFSA-N 366.509 4.683 0 50 FJAA