smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(N2CCN(CCOc3ccccc3C(=O)O)CC2)cc1 237274191 BDUDHCANNILQJR-UHFFFAOYSA-N 356.422 2.594 10 50 FFCA CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c1C 1176493 MNIIMNRNIGAWRY-LFIBNONCSA-N 351.406 2.748 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1 845433 LKHWQDMVWNSSHG-SFQUDFHCSA-N 366.373 2.760 10 50 FFCA O=C1N=C(O)/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 4819557 DLYFSGGFGCYNOI-NTEUORMPSA-N 353.290 2.807 10 50 FFCA COc1cccc(CN2CCc3nnc(-c4ccccc4)n3CC2)c1O 20668536 ADIFCHVAJVJZMO-UHFFFAOYSA-N 350.422 2.718 10 50 FFCA COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1OC 15659308 MPXSCJKVGHBMPY-KAMYIIQDSA-N 368.414 2.535 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 2571701 HQCAXLOOJFXWST-RDQDRAATSA-N 366.420 2.905 10 50 FFCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1210501 IZTBRFOEVQMEJC-GDNBJRDFSA-N 370.455 2.867 10 50 FFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3OC)S2)CC1 2826576 KJHZMXQTQKFKML-VBKFSLOCSA-N 374.462 2.941 10 50 FFCA COC(=O)c1ccc(O)c(CNc2cc(C(=O)N(C)C)ccc2OC)c1 2325779176 MLWXHBWDZFGTFI-UHFFFAOYSA-N 358.394 2.501 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)cc1 1122354 BLFNGTHVRGTUQG-HNNXBMFYSA-N 358.413 2.950 10 50 FFCA COc1ccc2nc(O)c(CN3CCOc4cc(CN)ccc43)cc2c1 1875305392 CCCKBTRGTLIWHK-UHFFFAOYSA-N 351.406 2.807 10 50 FFCA COc1ccc(N2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 62106605 GHTIETWWRXOUGC-UHFFFAOYSA-N 368.433 2.705 10 50 FFCA COc1ccc(N2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 16577243 KOLYMGVEUJTDTG-UHFFFAOYSA-N 360.479 2.656 10 50 FFCA O=[N+]([O-])c1cc(CNc2ccc3c(c2)OCCO3)ccc1N1CCOCC1 227156763 QRYSMESNCXKYTO-UHFFFAOYSA-N 371.393 2.815 10 50 FFCA COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c1 13615138 ZUYNAAKLOUOAFJ-ZROIWOOFSA-N 371.443 2.636 10 50 FFCA Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1cccnc1 1152074 GBGJGVRSPLZAKU-VGOFMYFVSA-N 373.459 2.775 10 50 FFCA CCc1nccn1CCC(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1 82086604 RYQQHMJTJLOSEZ-UHFFFAOYSA-N 370.497 2.972 10 50 FFCA Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 100173941 ASHNZDGMHIFFLY-XUXSRRMHSA-N 360.460 2.698 10 50 FFCA CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 65362854 AIWRAMSGHVEDCG-UHFFFAOYSA-N 353.466 2.767 10 50 FFCA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(C)s1 12338797 JNGCXUATWMWFMK-DHDCSXOGSA-N 361.448 2.510 10 50 FFCA COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2cccc(C)c2)C1=O 2842364 OEPRSWKGTWCGAR-KAMYIIQDSA-N 351.362 2.582 10 50 FFCA COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)ccc1O 33373185 HDMVRUHSNFQVDW-WHGQRRHOSA-N 367.448 2.711 10 50 FFCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5043636 OMIIVUNBBSGRFP-XFFZJAGNSA-N 361.697 2.508 10 50 FFCA C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 72115860 WZBYNNOLYDWNGO-HNNXBMFYSA-N 358.413 2.919 10 50 FFCA COCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 97514229 WVGRTCNNQFHEKD-AWEZNQCLSA-N 371.437 2.960 10 50 FFCA O=S(=O)(Nc1ccccc1Br)c1cccc2nonc12 6502397 MOAFBMAFMQAJRJ-UHFFFAOYSA-N 354.185 2.786 10 50 FFCA CC(C)(C)N1C(=O)NC(=O)C(=Cc2ccc(Br)s2)C1=O 1857666670 CPCYOQACLZHUNG-UHFFFAOYSA-N 357.229 2.771 10 50 FFCA COc1ccc(CNCc2cccnc2-n2ccnc2)cc1Cn1cccn1 19338031 KZBMSUVABNROFP-UHFFFAOYSA-N 374.448 2.811 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)Cc4noc5ccccc45)C3)C2)cc1 2100556894 UUJSHGDLBRGDDB-UHFFFAOYSA-N 363.417 2.728 10 50 FFCA Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 1168805 RZEPYHWKMLAVQP-UHFFFAOYSA-N 359.385 2.747 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 1015368 IAPBUVSQTYFZDV-UHFFFAOYSA-N 355.394 2.874 10 50 FFCA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(N(C)C)cc1 968978 MTUSIMDRJZRGQW-INIZCTEOSA-N 359.451 2.576 10 50 FFCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c(C)c1 5091948 CAYKQGHCIWZHGN-JYRVWZFOSA-N 369.333 2.779 10 50 FFCA CCN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 12411988 ZWHICDKPELRIJC-PHIZWAGYSA-N 374.487 2.804 10 50 FFCA CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13673965 ZSUJHCFQJWPRHS-UHFFFAOYSA-N 373.478 2.588 10 50 FFCA COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(C)cc2)C1=O 100744593 CAJFPSNYHPIJCW-KAMYIIQDSA-N 351.362 2.582 10 50 FFCA CCCCNC(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 55307347 MKDLDOTULXFGFE-IBGZPJMESA-N 374.529 2.791 10 50 FFCA Oc1nc2ccc(CNCc3cc(F)c(N4CCOCC4)c(F)c3)cc2[nH]1 883144479 QFWLTHMSVCUQGZ-UHFFFAOYSA-N 374.391 2.673 10 50 FFCA C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 72139184 YAVNHEVVROMMQQ-QGZVFWFLSA-N 353.466 2.522 10 50 FFCA CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 2120306 DPSCUYZYNOTDOF-KTKRTIGZSA-N 369.265 2.993 10 50 FFCA O=C1NC(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1 1172015 WVKAUYRRLSJKAN-UHFFFAOYSA-N 374.755 2.808 10 50 FFCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 753053 BPEBCJOPSVMQGK-ACCUITESSA-N 368.414 2.535 10 50 FFCA Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1[N+](=O)[O-] 1197791 SRCWVGFEGNGTDV-UHFFFAOYSA-N 369.333 2.597 10 50 FFCA CC(C)n1cnnc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1 65427294 OGUBAGLVAHYNFY-UHFFFAOYSA-N 357.458 2.689 10 50 FFCA O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccncc1 13532566 KJYMKNHUIPBJCL-LCYFTJDESA-N 359.407 2.767 10 50 FFCA COc1ccc(N2C(=O)/C(=C\Nc3ccccc3F)C(=O)NC2=S)cc1 16662494 PYKUZCXMBLNYDZ-RAXLEYEMSA-N 371.393 2.578 10 50 FFCA COc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 2892957 GNWMZAVDXVBNFO-RAXLEYEMSA-N 371.393 2.578 10 50 FFCA C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1=NN(c2ccccc2)C(=O)C1 4602800 QEZWUPAAXRFDRB-LBPRGKRZSA-N 357.797 2.974 10 50 FFCA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 1185887 GSZZUMMNAHEGIW-UHFFFAOYSA-N 355.369 2.667 10 50 FFCA COc1cccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1O 104299028 KWDURXHDRGXBGK-HXUWFJFHSA-N 370.493 2.778 10 50 FFCA COc1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1054934 UBTDKEZYMYAXIC-UHFFFAOYSA-N 354.450 2.985 10 50 FFCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)c(C)c1 1228898 JAOYKQFBDIVFPO-MHWRWJLKSA-N 350.374 2.984 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1806880 AFKIJTNJGQPRIV-SEVUFMINSA-N 365.432 2.695 10 50 FFCA CN(C)c1ccc([C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 101264431 YVOKYPBRVIHUFV-GVDBMIGSSA-N 371.824 2.540 10 50 FFCA CN1CCN(c2ccc(CNC(=O)CSc3ccccc3)cc2)CC1 65363671 ZYRFRLYNRUHYRS-UHFFFAOYSA-N 355.507 2.847 10 50 FFCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cc(C)[nH]n4)C3)CC2)cc1 20453932 AJFNNBLBMOFFOO-FQEVSTJZSA-N 369.513 2.513 10 50 FFCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(O)c(OC)c1 22135392 PLAXZVIOUVRYKN-DHDCSXOGSA-N 369.373 2.867 10 50 FFCA O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 20058157 RPCJBPJVTPVNQM-DZKIICNBSA-N 372.808 2.681 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 1200920 HZKKVFCRJOHYHF-NTEUORMPSA-N 370.336 2.509 10 50 FFCA CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1786460 NQFYFJCESYRWQS-HQQGHWSLSA-N 369.489 2.800 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 2899489 BFPBXCKFHXGRIN-RDQDRAATSA-N 366.420 2.905 10 50 FFCA Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C 1163715 OVVQPMICMDOTIQ-UHFFFAOYSA-N 357.797 2.805 10 50 FFCA Cc1nn(C)cc1/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O 390834857 ITICQDOEOMLYHB-ATVHPVEESA-N 367.478 2.521 10 50 FFCA COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1O 1194883 BCAHUPKVLOSJIW-GXDHUFHOSA-N 368.414 2.541 10 50 FFCA COCc1cc(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)ccc1OC 952988282 QQYNLLPHXBMSHF-QGZVFWFLSA-N 358.438 2.829 10 50 FFCA COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2cccnc2)C1=O 13533183 KKXAHVVETAVOKK-ZROIWOOFSA-N 371.443 2.636 10 50 FFCA CN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccc2nn[nH]c2c1 2325788830 JXQDLEBJFULHMI-UHFFFAOYSA-N 355.417 2.566 10 50 FFCA COc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 957041 RVMYNLFGNQOCMX-LFIBNONCSA-N 358.463 2.818 10 50 FFCA aggregator COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)cc1 4412560 ANYXEZLIOPHZGK-UHFFFAOYSA-N 364.442 2.654 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(OC(C)=O)cc3)CC2)cc1 2881445 IENSCMCWTRSFAL-UHFFFAOYSA-N 354.406 2.583 10 50 FFCA COc1cccc(O)c1CN1CCN(Cc2ccc(C)cc2)[C@@H](CCO)C1 20600721 RURXBKSNOOAZQD-IBGZPJMESA-N 370.493 2.778 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)[C@@H](C)C2)cc1 72457893 KUSPLTBNTSTGSU-INIZCTEOSA-N 370.497 2.978 10 50 FFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/NCCSC(C)(C)C)C1=O 6208483 NHSQCXXZYYVYOU-QBFSEMIESA-N 361.467 2.583 10 50 FFCA O=C1NC(=O)C(=CNc2cc(Cl)ccc2Oc2ccccc2)C(=O)N1 100606886 XDKJRWRHVHWFPY-UHFFFAOYSA-N 357.753 2.794 10 50 FFCA Cc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 65362573 MGMWBJGIXCKUJO-UHFFFAOYSA-N 351.494 2.914 10 50 FFCA COc1cc([N+](=O)[O-])cc(CN2CCN(Cc3ccccc3)CC2)c1O 19608656 LLFDIRSSKDHUIA-UHFFFAOYSA-N 357.410 2.627 10 50 FFCA CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 239306130 GLROTKJDQOLWIP-OAGGEKHMSA-N 361.825 2.679 10 50 FFCA CN(Cc1nnc2ccccn12)C(=O)CCCCc1ccc(O)c(O)c1 2325805079 NQXABWWAUZOSBC-UHFFFAOYSA-N 354.410 2.512 10 50 FFCA Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 65363391 OBZSATPUAQSTDV-UHFFFAOYSA-N 367.493 2.750 10 50 FFCA O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91974354 KAODOMVUFOFWBL-DLBZAZTESA-N 352.434 2.834 10 50 FFCA CCOc1ccc(Br)cc1/C=C1\SC(NC(C)=O)=NC1=O 13896530 KCXHVOKMUUZOER-GHXNOFRVSA-N 369.240 2.954 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@@H](C)n3cc(C)cn3)CC2(C)C)cc1 91365135 VRCSNFGRPBTGSG-MRXNPFEDSA-N 356.470 2.889 10 50 FFCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 2964348 AZIYWQUCFGXFEA-SFQUDFHCSA-N 350.374 2.747 10 50 FFCA COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(O)c1 20451533 KQPBCCWHBCNIHH-IBGZPJMESA-N 374.456 2.609 10 50 FFCA C[C@@H](OC(=O)NC[C@H](O)c1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] 98052562 NPSOVAJKABVLMR-HWPZZCPQSA-N 362.338 2.527 10 50 FFCA in-vitro Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@]3(O)CCO[C@H]3C)c2C)c1 252491720 LRLKAUODOUZFFF-LAUBAEHRSA-N 356.466 2.981 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 1192843 CDKIJAOFMYLMFX-MHWRWJLKSA-N 366.373 2.679 10 50 FFCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-] 2830063 KPLNQDQBUVMVDS-YRNVUSSQSA-N 352.393 2.579 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 4077102 YMNOJXWETGGYMP-RDQDRAATSA-N 366.420 2.905 10 50 FFCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccccc1O 1216550 VJKKOTKDLFOPEZ-ZROIWOOFSA-N 372.427 2.644 10 50 FFCA COC[C@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1ccnn1C 1506419755 WMOFSDOOQSRJJG-FQEVSTJZSA-N 354.498 2.855 10 50 FFCA COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 15659272 CGOHQCSQPUFAJX-WJDWOHSUSA-N 366.373 2.679 10 50 FFCA Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c1 4703339 WPJKIKMNLWWZRX-UHFFFAOYSA-N 359.385 2.747 10 50 FFCA COc1ccc(O)c(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 22934557 HOYAEFISFNIJMQ-FQEVSTJZSA-N 370.493 2.512 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 5178572 AFKIJTNJGQPRIV-VNKGSWCUSA-N 365.432 2.695 10 50 FFCA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 100401455 ZSJNXTFBIDGTCO-KAMYIIQDSA-N 351.362 2.582 10 50 FFCA COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c1 13571395 XETCJQBQFLVMQJ-UVTDQMKNSA-N 371.443 2.636 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1 39394328 PRGKVWXQUZKEAZ-LJQANCHMSA-N 374.456 2.609 10 50 FFCA O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91964807 XELBOUNTDNRBAX-DOTOQJQBSA-N 370.424 2.974 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 5068505 QSPZADJHDSQNJI-UHFFFAOYSA-N 359.357 2.705 10 50 FFCA CC(=O)Oc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 15746200 IOYBMTJIOCXKLR-YHYXMXQVSA-N 358.238 2.863 10 50 FFCA COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1Cl 1131460 RKWJZXNDZAUMCU-UHFFFAOYSA-N 373.796 2.506 10 50 FFCA COc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(OC)c1OC 2812243 BXMWZGKSAZKBDC-UHFFFAOYSA-N 370.357 2.895 10 50 FFCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(Cl)c1 2959561 CPLDTDOMEREJKC-JXMROGBWSA-N 360.728 2.851 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)cc1 4815406 KNKZYXQKHRQLIK-WQLSENKSSA-N 357.347 2.631 10 50 FFCA CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 100544937 YCXZSSHRDJVAQZ-VBKFSLOCSA-N 351.362 2.664 10 50 FFCA CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@H]3CCCOC3)C2=O)cc1F 170613966 QMBLJWSJPLOZIN-WMLDXEAASA-N 363.433 2.519 10 50 FFCA O=C(NCc1ccc(O)cc1O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 91893783 KZOJOGBYUMETOJ-MRXNPFEDSA-N 360.454 2.533 10 50 FFCA O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccncc1 1210316 FLAADWAHAGTKBT-LCYFTJDESA-N 359.407 2.767 10 50 FFCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 1198422 CGQKJBWOYLMITB-RIYZIHGNSA-N 358.806 2.877 10 50 FFCA CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 4120235 GLROTKJDQOLWIP-JYJNAYRXSA-N 361.825 2.679 10 50 FFCA CN(C)CCCNc1ccc(/N=N/c2c[nH]c(=O)[nH]c2=O)c2ccccc12 71767011 LOVMZNXEIVREFB-WCWDXBQESA-N 366.425 2.995 10 50 FFCA C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 10113453 XXCZARNAKFGAER-OAHLLOKOSA-N 358.413 2.746 10 50 FFCA CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=S)N(C)C1=O 1172742 PKHQGKSGPUXNLN-UHFFFAOYSA-N 354.431 2.837 10 50 FFCA CC[C@H]1Oc2cc([C@H](C)NC(=O)Cc3ccc(N)cc3)ccc2NC1=O 161366047 VMEXKWVMTIZWIY-YVEFUNNKSA-N 353.422 2.798 10 50 FFCA CC1(C)OC(c2ccccc2)=C/C(=C/C=C2\C(=O)NC(=S)N=C2O)O1 17918234 KITMJZYLOXZDLS-WQLSENKSSA-N 356.403 2.992 10 50 FFCA CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCC(=O)N32)cc1 1114524 KXEZMVPHWBPCPI-KRWDZBQOSA-N 373.478 2.966 10 50 FFCA O=C(O)CCN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1771533 ISFMWGVYKQJBLY-POHAHGRESA-N 372.811 2.924 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c(O)c1 23375568 FJKLOTWIXMGNGQ-FQEVSTJZSA-N 370.493 2.778 10 50 FFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)cc1 1197291 RHJZMMRGJSCJNC-NTEUORMPSA-N 356.403 2.727 10 50 FFCA Cc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(C(=O)O)cc3)C2=O)s1 13752060 MBFVAYNTFXKXKZ-JYRVWZFOSA-N 356.359 2.626 10 50 FFCA Cc1cc(C(=O)N2CCCO[C@@H](CN)C2)c(C)n1-c1cccc(Cl)c1 818012218 KXVDDVYZUUBGDR-KRWDZBQOSA-N 361.873 2.937 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 8742432 GGHYGGXYCDTAMM-UHFFFAOYSA-N 370.390 2.757 10 50 FFCA O=C1NC(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1 1175768 SMRSZIYCJOPNBX-UHFFFAOYSA-N 374.755 2.808 10 50 FFCA CCOc1cc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)ccc1O 13784900 WAZRDVHQZAAHNT-YWOAEBAUSA-N 362.451 2.870 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C 9167367 XZQPGSMFRVHRTM-OQLLNIDSSA-N 357.797 2.962 10 50 FFCA COc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccccc2C)C1=O 5595892 GUZMPPTTXLOBCY-QBFSEMIESA-N 367.430 2.747 10 50 FFCA CCN1CCN(Cc2c(O)ccc(C(=O)Cc3ccccc3)c2O)CC1 22854482 LKZFDIOFNMMVIA-UHFFFAOYSA-N 354.450 2.661 10 50 FFCA biogenic COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 55060340 LUQTVROGIOLYKE-KRWDZBQOSA-N 353.466 2.695 10 50 FFCA COc1ccc(N2CCN(C(=O)Cn3nc(C)c(C)c3C)[C@@H](C)C2)cc1 72429327 IUTZVZQCMMEMAF-AWEZNQCLSA-N 356.470 2.554 10 50 FFCA COc1ccc(N2CCC(N[C@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)CC2)cc1 1857725670 HYCJOWDSXHVULR-RCZSKKKRSA-N 371.525 2.505 10 50 FFCA COCc1cccc([C@H](C(=O)O)N2CCN(c3ccc(OC)cc3)CC2)c1 95512666 AQVUBNMRDPCDED-HXUWFJFHSA-N 370.449 2.790 10 50 FFCA CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1O 16667423 WSYDCVQEAFYURX-YBEGLDIGSA-N 352.390 2.869 10 50 FFCA COc1ccc2c(C)nc(NC3=N[C@@H](c4ccccc4)CC(=O)N3)nc2c1 4520279 CCSPKYYHJNVAHB-MRXNPFEDSA-N 361.405 2.976 10 50 FFCA COc1ccc(O)c(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c1 20514510 PXWASZWSHUHEKN-IBGZPJMESA-N 362.514 2.850 10 50 FFCA O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2281216 HFRUAQJOKOCVMY-WBOGTDJTSA-N 373.908 2.728 10 50 FFCA COc1cccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c1O 1179418 ONCVDXXKRAOBDD-UHFFFAOYSA-N 368.477 2.972 10 50 FFCA COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C)cc3)C2=O)c1 100401468 AMPITOIJDBGCKE-WJDWOHSUSA-N 351.362 2.582 10 50 FFCA CCOC(=O)[C@@]12O[C@@]1(c1ccc(CC)cc1)C(=O)c1ccccc1C2=O 100555920 PTOMMMVVCKNMMJ-LEWJYISDSA-N 350.370 2.856 10 50 FFCA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCC1)c2[N+](=O)[O-] 4601892 DOIQVEPLHXRHHF-UHFFFAOYSA-N 364.357 2.996 10 50 FFCA COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](C)CC4=O)CC2)cc1 10156600 WAJJHHONJYRBRD-CQSZACIVSA-N 366.465 2.885 10 50 FFCA CCN1C[C@H]2[C@@H](c3cccc(OC)c3O)N[C@](CO)(c3ccccc3)[C@H]2C1 65431449 HHEYIDPEAJPVHB-BAYUQKDNSA-N 368.477 2.501 10 50 FFCA COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OCC(=O)O 4302927 YBPZLJSVURLTRZ-WJDWOHSUSA-N 366.373 2.965 10 50 FFCA COCCn1cnnc1CN(C)C1CCN(c2ccc3c(c2)CCC3)CC1 1506423774 JGTNFPHAWHJNJN-UHFFFAOYSA-N 369.513 2.514 10 50 FFCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 5067352 JBPOPKNABCCBIB-DHDCSXOGSA-N 366.373 2.888 10 50 FFCA Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccccc1Cl 1164008 YDXHCRRTPZTDIL-UHFFFAOYSA-N 359.838 2.662 10 50 FFCA Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 10113450 YODVVHBKPDMYOT-KRWDZBQOSA-N 354.450 2.915 10 50 FFCA O=C(NCc1ccc(O)cc1O)N1CCCN(Cc2cccs2)CC1 534637764 BZLONMMKLCMTCT-UHFFFAOYSA-N 361.467 2.577 10 50 FFCA COC[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1 1506420856 BFAGUXBKLXJEJS-SFHVURJKSA-N 355.438 2.756 10 50 FFCA O=C(O)c1cc(/N=N/c2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1 114692057 MXBBZODCMBYDCL-ISLYRVAYSA-N 358.262 2.895 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1 4841123 KILVHBKYLHVRCH-UHFFFAOYSA-N 354.406 2.583 10 50 FFCA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 1163520 RIPGZOLVSBMAMO-UHFFFAOYSA-N 361.760 2.636 10 50 FFCA CN1CCN(c2ccc(-c3nccn3-c3ccc4c(c3)nnn4C)cc2)CC1 1772806085 YVKUOHZPEXCNEF-UHFFFAOYSA-N 373.464 2.573 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c(O)c1 104557108 FJKLOTWIXMGNGQ-HXUWFJFHSA-N 370.493 2.778 10 50 FFCA CCN1C[C@H]2[C@@H](c3cc(C)ccc3O)N[C@](CO)(c3ccccc3)[C@H]2C1 65398414 VQUUOTAODHGYFX-NPDDRXJXSA-N 352.478 2.801 10 50 FFCA C[C@H](NC(=O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 72117880 NQLJGLOPZYADTC-HNNXBMFYSA-N 358.413 2.919 10 50 FFCA Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3F)C(=O)NC2=S)cc1 5595823 ITKAPTSUAJVXIV-RAXLEYEMSA-N 355.394 2.878 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)C2=O)cc1 6858096 FDYKHQANRJACNC-LGMDPLHJSA-N 353.422 2.942 10 50 FFCA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S 5814017 SOXZZAZQUQZHJV-GWQWUEFDSA-N 370.455 2.979 10 50 FFCA O=c1[nH]nc(CC2CCN(Cc3ccccc3O)CC2)n1-c1ccccc1 67805117 SKSYCYJBRHKKLF-UHFFFAOYSA-N 364.449 2.721 10 50 FFCA COc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13669755 HIAUVIZHCJFBRC-INIZCTEOSA-N 370.449 2.616 10 50 FFCA CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1 1186407 FONORACXZHOVFN-UHFFFAOYSA-N 368.414 2.748 10 50 FFCA COc1ccc(N2CCN(c3nc(C)c4c(n3)C[C@H](C)CC4=O)CC2)cc1 10156599 WAJJHHONJYRBRD-AWEZNQCLSA-N 366.465 2.885 10 50 FFCA OCC[C@H]1CN(Cc2ccccc2O)CCN1Cc1ccc(F)c(F)c1 23357975 CBTOGAVRZIVBCX-KRWDZBQOSA-N 362.420 2.739 10 50 FFCA Oc1nc2ccc(CNC3CCN(c4ccc5c(c4)OCO5)CC3)cc2[nH]1 952989801 PKCXZOCCBCEZBH-UHFFFAOYSA-N 366.421 2.756 10 50 FFCA COc1ccc(N2CCN(CCC(=O)c3ccc4c(c3)OCO4)CC2)cc1 52537684 MPKQUPHPOPNTSL-UHFFFAOYSA-N 368.433 2.819 10 50 FFCA COc1ccc(CNCc2ccc3nsnc3c2)cc1Cn1cncn1 952873516 ZYNGYCYOCKPSBT-UHFFFAOYSA-N 366.450 2.630 10 50 FFCA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)NC1=S 980398 WFUWBWRPBUNKJN-NVNXTCNLSA-N 369.446 2.900 10 50 FFCA O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1O 207342041 UNQFKHRTFQWCEO-MDWZMJQESA-N 359.179 2.616 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 651929 UERSMAUGOHKMNG-UHFFFAOYSA-N 356.422 2.675 10 50 FFCA c1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)cc2)ccn1 328621123 AGLLJBZGRZKBNH-LEWJYISDSA-N 353.466 2.928 10 50 FFCA [N-]=[N+]=NCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 169743912 FQCSBODFFJKHKE-YDHLFZDLSA-N 368.507 2.699 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 6884182 BRBJMKOZCKNMHK-RDQDRAATSA-N 365.432 2.695 10 50 FFCA NC(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)CCC3)CC1 952980312 ZEUQNELAJWVSJT-QFIPXVFZSA-N 363.505 2.830 10 50 FFCA COc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)c(O)c1 20202364 PORKCVOMDYXCKY-UHFFFAOYSA-N 350.422 2.718 10 50 FFCA CCNc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 77471085 XFSJALAKGONKGO-UHFFFAOYSA-N 369.469 2.658 10 50 FFCA COCCc1ncc(CN2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 72131842 LNHDBRAXOSGDNN-UHFFFAOYSA-N 370.497 2.775 10 50 FFCA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 12753200 GHDLMSUMIGOMFU-XFXZXTDPSA-N 374.491 2.656 10 50 FFCA C[C@H](CNC1CCN(c2ccc3c(c2)OCO3)CC1)Oc1cccnc1 1506400805 GKHDRWIVJLBSRR-OAHLLOKOSA-N 355.438 2.836 10 50 FFCA COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)[C@H](C)C2)cc1 72418970 ORFPQRLDCMMOSO-OAHLLOKOSA-N 368.433 2.704 10 50 FFCA CCOc1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 55062578 NXELFXWNSSBAAR-UHFFFAOYSA-N 369.465 2.855 10 50 FFCA COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 72418971 ORFPQRLDCMMOSO-HNNXBMFYSA-N 368.433 2.704 10 50 FFCA COc1ccc(N2CCN(c3nc(CCC(C)C)cc(=O)[nH]3)CC2)cc1 22448950 DSVIQNCEHIBNQV-UHFFFAOYSA-N 356.470 2.694 10 50 FFCA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2ccc(N)cc2)CC1 1704338528 FKBCNWGMSJUDTA-UHFFFAOYSA-N 366.461 2.911 10 50 FFCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccccn2)SC1=S 5571308 KXFYJRQKTGLNHR-GXDHUFHOSA-N 355.444 2.936 10 50 FFCA CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1O 872510 MHCJXDVIRHEPPX-UHFFFAOYSA-N 359.451 2.795 10 50 FFCA COc1cccc(O)c1CN1CCN(Cc2ccc(C)cc2)[C@H](CCO)C1 104373410 RURXBKSNOOAZQD-LJQANCHMSA-N 370.493 2.778 10 50 FFCA c1cc2c(cc1N1CCC(N3CCOC4(CCNCC4)C3)CC1)CCC2 1506419348 ASHURZIVXAWNGC-UHFFFAOYSA-N 355.526 2.599 10 50 FFCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC1 1217358 SDJMTWKZFMHWQN-ZRDIBKRKSA-N 352.506 2.962 10 50 FFCA N=C1/C(=C/c2ccco2)C(=O)N=C2SC(COc3ccccc3)=NN12 30828554 SDQYDQLTQHGPBG-CRFANRBNSA-N 352.375 2.978 10 50 FFCA Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 1030891 NQXOGHWQMQBOFD-GZTJUZNOSA-N 359.385 2.840 10 50 FFCA CN1CCN(c2ccc(CNc3cnc4[nH]ncc4c3)c(Cl)c2)CC1 2325859119 OXVIMXDGXVPFAF-UHFFFAOYSA-N 356.861 2.975 10 50 FFCA COc1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1OC 1184990 JKSUGNLQOXNRJD-WGAGLLEQSA-N 358.423 2.979 10 50 FFCA C[C@H](OC(=O)NC[C@H](O)c1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] 98052561 NPSOVAJKABVLMR-QFYYESIMSA-N 362.338 2.527 10 50 FFCA in-vitro Cc1nc(C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)cc(=O)[nH]1 23379906 GOYIRZPEEOUONJ-UHFFFAOYSA-N 352.482 2.840 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1O 1197501 URNZXVRVKRQMHN-NTEUORMPSA-N 368.414 2.541 10 50 FFCA CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 12512975 UFQMWOHNXKOWGG-CSNJMMPQSA-N 360.435 2.908 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 4703628 RSUZFQRXDWPKNO-UHFFFAOYSA-N 359.357 2.705 10 50 FFCA COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](C)CC4=O)CC2)cc1 19957309 JOOSWAKYPKNSGA-CQSZACIVSA-N 352.438 2.577 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C 1219189 ZMNFFLWRBSJYBZ-UKTHLTGXSA-N 357.410 2.612 10 50 FFCA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 5648590 TZMOSBJULLISLZ-QBFSEMIESA-N 351.362 2.582 10 50 FFCA Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 65277708 FQISAPCALQRNBH-MRXNPFEDSA-N 360.479 2.871 10 50 FFCA COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3ccccn3)[nH]n2)cc1 2325780503 MOWWGJXZSGABFS-UHFFFAOYSA-N 365.437 2.689 10 50 FFCA Cc1cc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)c(C)n1-c1ccccc1 91417059 NNIJPMHBBXWSBG-NRFANRHFSA-N 351.450 2.836 10 50 FFCA O=c1nc(/C=C/c2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)[nH]1 5635187 ZMBSEHULBHKZFC-DAFODLJHSA-N 351.328 2.796 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)[C@H](C)n4ccnc4C(C)C)C3)C2)cc1 2100482387 VVJWXYVNJIFIPS-INIZCTEOSA-N 368.481 2.925 10 50 FFCA Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c(O)c1O 182486186 IYQSJSCRDUHTKN-UHFFFAOYSA-N 368.433 2.688 10 50 FFCA CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC)C2=O)c1O 15010954 YRWWXJWSSQGFBY-WDZFZDKYSA-N 354.409 2.920 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 2381758 YMNOJXWETGGYMP-SEVUFMINSA-N 366.420 2.905 10 50 FFCA CC1=CC(O)=C2N(CC(=O)N=N/C=C3/C(C)=Nc4ccccc43)N=CN2N1 334159115 OQXBSOZORQLDDN-PQNHFCOQSA-N 363.381 2.822 10 50 FFCA O=C1N=C(O)/C(=C\c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1 1151769 SPCRZGXJCZGULE-UHFFFAOYSA-N 360.713 2.629 10 50 FFCA Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c(=O)c2c1C 8856946 FBFZQTVPMLIDPV-UHFFFAOYSA-N 362.432 2.988 10 50 FFCA O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccccc4s3)o2)C(=O)N1 2870190 HYYQOMXXWFIWNS-UHFFFAOYSA-N 371.399 2.790 10 50 FFCA C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 72139246 JCIIOILJIQAKSU-INIZCTEOSA-N 371.456 2.661 10 50 FFCA CCN(CC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 4573263 JHFGKELGALVTPV-UHFFFAOYSA-N 352.346 2.852 10 50 FFCA Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)cc1[N+](=O)[O-] 1849716 KZBCQHXZKWJVRD-UHFFFAOYSA-N 357.347 2.918 10 50 FFCA COC(=O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4802515 CRUKSGZNMHWGHY-MDWZMJQESA-N 365.432 2.570 10 50 FFCA Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 65363070 KRMPCZUVCDTZFA-SFHVURJKSA-N 367.493 2.831 10 50 FFCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 5650034 BSCUCSOTMBNCOW-GDNBJRDFSA-N 355.781 2.914 10 50 FFCA CC(=O)N1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 1153000 RCKNGKVUCKSEKR-UHFFFAOYSA-N 359.407 2.694 10 50 FFCA COC(=O)COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 842818 XQGYZAXDYGLKFO-UHFFFAOYSA-N 355.302 2.920 10 50 FFCA biogenic Cc1ccc(C)c(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 72434194 SMFUGDCCERVJGW-UHFFFAOYSA-N 351.494 2.914 10 50 FFCA COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCN3)c1 2325811439 ZVJDNMPMIMZMGR-LLVKDONJSA-N 355.394 2.646 10 50 FFCA CC(=O)NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 4719529 OJPPSKWVJMPWGI-UXBLZVDNSA-N 357.254 2.701 10 50 FFCA O=C(c1cccc(O)c1O)N1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 77505779 NTZABBHOZAPZAH-OAQYLSRUSA-N 372.465 2.885 10 50 FFCA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(C(C)C)cc1 2082931225 FLTFPXORXKIDOO-INIZCTEOSA-N 361.467 2.511 10 50 FFCA C[C@@H]1CCCCN1C1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 65470753 VAZVLCXSRZOWHO-MRXNPFEDSA-N 357.498 2.943 10 50 FFCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O 1188299 SASJWEUWYFPTBJ-VZUCSPMQSA-N 365.172 2.866 10 50 FFCA COc1ccc(N2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 16579484 SWDHKVBRPMULTP-UHFFFAOYSA-N 360.479 2.656 10 50 FFCA CN(C)Cc1cc(-c2nccn2-c2cccc(-n3cncn3)c2)ccc1O 77565621 MHCGBXGJJVAZPV-UHFFFAOYSA-N 360.421 2.887 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 1192388 VUNKTMWRDBYWFB-WUXMJOGZSA-N 370.748 2.735 10 50 FFCA Cc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 65363037 PFCDIBKRPRKBPA-UHFFFAOYSA-N 351.494 2.996 10 50 FFCA Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)NC1CCCC1 19794018 MONPZKWICLPCHM-UHFFFAOYSA-N 371.481 2.867 10 50 FFCA CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 1064390 FNIJVKVXDQUCAH-UHFFFAOYSA-N 366.373 2.889 10 50 FFCA COc1ccc(OC)c(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1 4591442 DDZRJXCPIMFGRW-GAAFXGMGSA-N 362.451 2.783 10 50 FFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@H](C)c1ccccc1 1191700 JOSPBWIGPZUESR-GFCCVEGCSA-N 366.373 2.585 10 50 FFCA CCc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 91326332 XAILTVGAHHLEDJ-UHFFFAOYSA-N 354.454 2.789 10 50 FFCA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 6858100 DYTGSRRZQLFOAQ-WJDWOHSUSA-N 351.362 2.582 10 50 FFCA Cc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 2568459 WVYOALOYOODTMW-SERMCNLOSA-N 365.432 2.514 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 22107423 JRDXVHFORFPINK-GDNBJRDFSA-N 366.373 2.679 10 50 FFCA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccccc1 13703887 OILFJMYLWASPJD-HEWTWTGNSA-N 358.379 2.808 10 50 FFCA O=S1(=O)N=C(Nc2ccc(O)c(CN3CCCCC3)c2)c2ccccc21 872512 UOWOGGFKPZGUTH-UHFFFAOYSA-N 371.462 2.939 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1 831351 PZDMJPZVARSEFD-FOWTUZBSSA-N 366.373 2.760 10 50 FFCA CC(=O)c1cc(C)n(-c2ccc(C(=O)NCc3nnc(N)s3)cc2)c1C 240203813 JTQJDEMXUBKDGN-UHFFFAOYSA-N 369.450 2.660 10 50 FFCA COc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 16671407 WPVUPOQCFQGYOA-ZSOIEALJSA-N 358.781 2.819 10 50 FFCA COc1ccc(CNCc2ccccc2-n2ccnc2)cc1Cn1cncn1 952968246 BKZXOPBUMDFCEE-UHFFFAOYSA-N 374.448 2.811 10 50 FFCA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 1231260 MJBFOQGWQQBWMY-UHFFFAOYSA-N 372.833 2.833 10 50 FFCA Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3F)C(=O)NC2=S)c1 100401274 OCAFIQKSBPTGKK-RAXLEYEMSA-N 355.394 2.878 10 50 FFCA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)c(O)c2)NC(=S)N1 861719 SRVJFIKSNLOIRN-MRXNPFEDSA-N 355.419 2.529 10 50 FFCA c1cnn(CC2(CNC3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1 67587650 FTPJQEXKYJAYBB-UHFFFAOYSA-N 354.454 2.651 10 50 FFCA Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 1098336 FEGYYOHSOCLDET-MDWZMJQESA-N 359.838 2.696 10 50 FFCA CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(OCC)c1 1188285 MXMOIIYQTPEBPG-NTUHNPAUSA-N 367.448 2.770 10 50 FFCA O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N1 8739011 FOGNEXKETPZQIP-UHFFFAOYSA-N 366.329 2.554 10 50 FFCA CC(C)(C)N1C(=O)NC(=O)/C(=C/c2ccc(Br)s2)C1=O 5632396 CPCYOQACLZHUNG-VURMDHGXSA-N 357.229 2.771 10 50 FFCA COc1ccc(N2CCN(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)CC2)cc1 1227767 PKVPPFNWXFNWNT-UHFFFAOYSA-N 373.409 2.640 10 50 FFCA O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 2049286285 ULUFQQDNJHUPAN-UHFFFAOYSA-N 354.435 2.522 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 5061466 ZWPSQQHYBPISSV-DHDCSXOGSA-N 365.345 2.878 10 50 FFCA c1ccc(-n2nnnc2CNC2CCN(c3ccc4c(c3)CCC4)CC2)cc1 1506404916 SHRWOGYVSQUUMI-UHFFFAOYSA-N 374.492 2.910 10 50 FFCA CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1O 13343540 UTSVWIRGDCHBKN-LCYFTJDESA-N 367.448 2.857 10 50 FFCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN[C@@H]1CN2CCC1CC2 20254582 VYDYLXWIOHVJRQ-GOSISDBHSA-N 352.434 2.972 10 50 FFCA CCn1nc(C(=O)O)c2c1CC[C@H](NCc1ccc3c(c1)CCCO3)C2 67966824 JWQGFNDMQHERTK-HNNXBMFYSA-N 355.438 2.573 10 50 FFCA Cc1cc(C(=O)N2CC[C@]3(CCCNC3=O)C2)c(C)n1-c1ccccc1 91417058 NNIJPMHBBXWSBG-OAQYLSRUSA-N 351.450 2.836 10 50 FFCA CNC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 299739493 PDVIDWRVQBJRMB-MRXNPFEDSA-N 369.465 2.547 10 50 FFCA COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(Cl)c1O 15658728 JOTXLIKYKRJQMW-QPEQYQDCSA-N 358.781 2.824 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)cc3)C2=O)cc1 5578694 FTYCNPJDMXKMIV-GDNBJRDFSA-N 371.780 2.927 10 50 FFCA CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1227950 OAUALKCAJQCGLX-RAXLEYEMSA-N 351.449 2.850 10 50 FFCA Cc1nc([C@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)cc(=O)[nH]1 39372106 RGMQQGSKRDGGMR-SFHVURJKSA-N 352.482 2.840 10 50 FFCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)cc2OC)c1 12651377 XLADZIKKAMHOPD-UHFFFAOYSA-N 372.421 2.801 10 50 FFCA Cc1cc(N)c(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1C 1119188 BLEFOAHIPYPLRG-UHFFFAOYSA-N 374.444 2.894 10 50 FFCA COc1ccc(-n2nnnc2Cn2ccnc2-c2ccnc(Cl)c2)cc1 2325739488 HOWJJVKZKXJIEF-UHFFFAOYSA-N 367.800 2.631 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O 1178381 IMMACMVFKXSEDE-NTUHNPAUSA-N 372.764 2.721 10 50 FFCA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cn1 13543717 IITOKPQREYYCBM-SDQBBNPISA-N 374.809 2.518 10 50 FFCA Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 13670870 BOORPLKVQNXZBM-UHFFFAOYSA-N 374.506 2.927 10 50 FFCA COc1ccc(N2CCN(C(=O)Cn3nc(C)c(C)c3C)[C@H](C)C2)cc1 72429328 IUTZVZQCMMEMAF-CQSZACIVSA-N 356.470 2.554 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 893578 RFIDSXBMPQZOTN-UHFFFAOYSA-N 357.410 2.627 10 50 FFCA COc1ccc(N2CCN(C(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1 2739439 RSJZBVYPPDRQGF-UHFFFAOYSA-N 364.396 2.866 10 50 FFCA CCOc1ccc2ccc(OCC)c(C=C3C(=O)NC(=S)NC3=O)c2c1 4725200 GOYMHXBUMKNLJE-UHFFFAOYSA-N 370.430 2.552 10 50 FFCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCC1CCNCC1 100163429 QBZVLTRQFAISOS-GHRIWEEISA-N 371.441 2.571 10 50 FFCA CCOc1ccc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)cc1 104418758 TYWFUCZKAMXABQ-HXUWFJFHSA-N 370.493 2.860 10 50 FFCA O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 15722934 XIYSVWVNIXUXMI-GDNBJRDFSA-N 366.329 2.657 10 50 FFCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1OC 797852 UQUXFHLXILSLDE-CNYBTUBUSA-N 357.406 2.547 10 50 FFCA CCOc1ccccc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 55060296 PIXGJUOWUKNNFD-UHFFFAOYSA-N 369.465 2.855 10 50 FFCA COc1ccc(N2CCN(c3nc(-c4ccccc4)cc(=O)[nH]3)CC2)cc1 9355724 BWNAOQVQNUQYCZ-UHFFFAOYSA-N 362.433 2.772 10 50 FFCA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 49740691 GTUJCVUIMFNGBO-UHFFFAOYSA-N 373.522 2.534 10 50 FFCA Cc1c(CCNC(=O)c2n[nH]c3c2COCC3)c2cccc3c2n1CCC3 828211950 ZIONVIICOBGBCR-UHFFFAOYSA-N 364.449 2.664 10 50 FFCA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 2892865 YTOJHJNIIQVFNF-RAXLEYEMSA-N 371.780 2.927 10 50 FFCA COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1O 20204899 YNRRXLPQASUYBM-IBGZPJMESA-N 374.456 2.609 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C)cc3)C2=O)cc1 17086519 UZASYOIUSDIHAZ-SFQUDFHCSA-N 365.389 2.973 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)c1 1208516 KCMMNOSFWVFLFC-GZTJUZNOSA-N 350.374 2.978 10 50 FFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(F)c1 1180164 ZTFQOXIGJBTZJH-UHFFFAOYSA-N 371.437 2.832 10 50 FFCA Cc1cc(C)cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 72436836 OONIVXUHTKBJPQ-UHFFFAOYSA-N 367.493 2.750 10 50 FFCA CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 13612529 FNNJQSWSEGMPIX-UHFFFAOYSA-N 373.478 2.588 10 50 FFCA CCOc1ccccc1CN1CCN(Cc2ccccc2O)C[C@H]1CCO 104527615 XKZKIPRFOQGMAD-HXUWFJFHSA-N 370.493 2.860 10 50 FFCA Cc1nc(N)sc1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 2933634 IUTRDKUXDKXXSW-UHFFFAOYSA-N 367.481 2.548 10 50 FFCA Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 1384395 PABCTOMGZLXKRI-UHFFFAOYSA-N 374.506 2.682 10 50 FFCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 753130 QYBXGJSCHBMGDR-RVDMUPIBSA-N 352.415 2.835 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)o3)C2=O)cc1C 1180252 KUWABFOPZLEYAW-XNTDXEJSSA-N 353.378 2.629 10 50 FFCA O=C(c1cccc2[nH]c(=O)oc12)N(Cc1ccccc1O)C[C@H]1CCCO1 153891715 VKXOGHFJQFVBAM-CQSZACIVSA-N 368.389 2.648 10 50 FFCA COc1cc(OC)cc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)c1 7497011 MARWIWPFCHBGJF-UHFFFAOYSA-N 372.421 2.801 10 50 FFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CO[C@@H]6CCN2[C@@H]1[C@H]6[C@H]5C[C@H]43 25668368 ODSKQEUFTBWNLH-VNPVVWLASA-N 366.461 2.541 10 50 FFCA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3=O)c(C)n1-c1ccccc1 95375363 KNECCJWTOPDNDY-FUHWJXTLSA-N 351.450 2.787 10 50 FFCA CC(=O)Oc1cccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c1 16183067 KUWGDKJSPHNLQN-ZSOIEALJSA-N 374.755 2.866 10 50 FFCA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2C(=O)O)c(C)n1-c1ccccc1 96151718 WUIMCZBQGBVZTC-SFHVURJKSA-N 364.405 2.641 10 50 FFCA COc1cc2c(cc1OC)[C@@H](c1cccc(OC)c1O)N(C(C)=O)CC2 755790 ZGIUHEUVKWISBZ-LJQANCHMSA-N 357.406 2.912 10 50 FFCA Cc1ccc2ccccc2c1CN(/N=N/c1nonc1N)c1nonc1N 8935228 NUBWKCBLDBMBJP-LYBHJNIJSA-N 365.357 2.784 10 50 FFCA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15659292 KNIYTMDMZGATPO-BOPFTXTBSA-N 367.380 2.554 10 50 FFCA COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1OC 16667570 RFHXXMMMHZMXAM-ZROIWOOFSA-N 358.781 2.819 10 50 FFCA COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1 12420257 XEPYGRXYESJAGE-ZROIWOOFSA-N 371.443 2.636 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O 1225673 PTFVWOSGYAIBPR-UKTHLTGXSA-N 368.414 2.541 10 50 FFCA Cc1ccc(-n2cccc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Cl 2810675 DFBDGRBDWVDTLG-UHFFFAOYSA-N 357.797 2.873 10 50 FFCA COc1cccc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c1O 22852928 QUYLEIIEIOGCGT-FQEVSTJZSA-N 370.493 2.778 10 50 FFCA COc1ccc(N2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 16579658 VBWRCKCASHFYHW-UHFFFAOYSA-N 360.479 2.656 10 50 FFCA COc1ccc(-n2c(C)nnc2SCC(=O)c2ccc(O)c(O)c2)cc1 794458792 BGNDZDPAVHRIET-UHFFFAOYSA-N 371.418 2.971 10 50 FFCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccccc1 1208419 VXMDPBIOPZDOIF-UVTDQMKNSA-N 356.428 2.938 10 50 FFCA COc1ccc(N2CCN(C(=O)c3sc4ncccc4c3N)CC2)cc1 10010948 BIOSIDCKSGSTDC-UHFFFAOYSA-N 368.462 2.850 10 50 FFCA CCn1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1C 2126725 RROHGMPGJISSFK-BOPFTXTBSA-N 366.421 2.656 10 50 FFCA CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21 31361857 JIGTUJHXEHURKA-QBFSEMIESA-N 352.462 2.733 10 50 FFCA COc1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccn1 806663198 UEOWZKJSKILWIU-UHFFFAOYSA-N 360.389 2.592 10 50 FFCA COc1cc(I)cc(CNc2cc(C)on2)c1O 2544781 MYBVTNREIQZUQU-UHFFFAOYSA-N 360.151 2.914 10 50 FFCA O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1O 1214940 DWMYUQPBYRHCJQ-ZROIWOOFSA-N 372.427 2.644 10 50 FFCA COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1O 5046909 LAOMUROVLHEIPF-DHDCSXOGSA-N 352.346 2.905 10 50 FFCA biogenic O=C([C@@H]1CCOC1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 215012464 HHNRJQTUHLPUQH-LJQANCHMSA-N 366.461 2.951 10 50 FFCA COCCN1CCC(CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1 12707215 LRHAYJGWAQUGQJ-HXUWFJFHSA-N 362.514 2.732 10 50 FFCA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(C(C)C)cc1 2082931226 FLTFPXORXKIDOO-MRXNPFEDSA-N 361.467 2.511 10 50 FFCA CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCC 1158279 QJTQDAZADRVUBD-MDWZMJQESA-N 367.448 2.770 10 50 FFCA O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1CCc1ccc(F)cc1 11753982 JROQZPUVSSBNRQ-IBGZPJMESA-N 354.425 2.694 10 50 FFCA Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 72140595 DFEDMBXURAFCMA-GOSISDBHSA-N 367.493 2.831 10 50 FFCA O=C(O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1774428 VQEGBPLWBGWJNY-UITAMQMPSA-N 358.238 2.735 10 50 FFCA COc1c[nH]c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1=O 97217554 DHMVXMKHZZNWNN-AWEZNQCLSA-N 355.438 2.550 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)[C@@H](C)n4ccnc4C(C)C)C3)C2)cc1 2100482388 VVJWXYVNJIFIPS-MRXNPFEDSA-N 368.481 2.925 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)c4ccc5ccn(C)c5n4)C3)C2)cc1 2356159100 LTGCNGAMVIJBRX-UHFFFAOYSA-N 362.433 2.544 10 50 FFCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1O 1198354 SUKQZZIKSPFEBO-MDWZMJQESA-N 358.806 2.877 10 50 FFCA CCOc1ccc(/C=C2\C(=O)N(CCCOC)C(C)=C2C(=O)OC)cc1 13893935 YZHLWVPZWAVDRE-LGMDPLHJSA-N 359.422 2.794 10 50 FFCA CN1CCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC1 19361343 MYODLMXVGCTVEB-UHFFFAOYSA-N 350.418 2.913 10 50 FFCA biogenic N=C1/C(=C\c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC=NN12 4919340 PZPVLMVXWNUFOE-ZJMWYTODSA-N 366.358 2.748 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3C)C2=O)cc1 100401283 FYKILZBPKZOSSY-PTNGSMBKSA-N 351.362 2.582 10 50 FFCA COc1ccc(N2CCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)cc1 164304906 OIXXUGAYNFHMAR-UHFFFAOYSA-N 371.393 2.662 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 843150 VIEZHKFBZLEPLD-GZTJUZNOSA-N 350.374 2.978 10 50 FFCA O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2281218 HFRUAQJOKOCVMY-LAPSENCUSA-N 373.908 2.728 10 50 FFCA COc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c(OC)c1 5696359 YAILXFUFRFCLQB-WKBIFNHDSA-N 362.451 2.783 10 50 FFCA Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 54285328 MNTVNWDAJJULHR-QGZVFWFLSA-N 354.450 2.915 10 50 FFCA COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)c1 1210162 XETCJQBQFLVMQJ-GXDHUFHOSA-N 371.443 2.636 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O 1233296 NKACYUJRPBJWPM-MDWZMJQESA-N 372.764 2.721 10 50 FFCA COc1cccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1O 65395249 LQJZVNHPCAGNBH-UHFFFAOYSA-N 374.388 2.593 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 13895819 PTHKUDUHPWJYGZ-XFXZXTDPSA-N 370.336 2.509 10 50 FFCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 5789475 NVJKQGIQUXJJJW-RIYZIHGNSA-N 357.347 2.961 10 50 FFCA COc1cccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c1 22135428 ZWRDCWQFOJXTAI-GDNBJRDFSA-N 373.206 2.919 10 50 FFCA CCOc1cccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c1O 38145418 DBFZKKQIMZIJAA-GOSISDBHSA-N 374.481 2.761 10 50 FFCA CCOc1ccc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 13745124 KCDRERRFIHQHIV-UHFFFAOYSA-N 354.450 2.985 10 50 FFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 22107441 KSVSMQFBIJEXQO-NKJMRRHMSA-N 352.346 2.506 10 50 FFCA c1cc2c(cc1N1CCC(N[C@H]3COC4(CCNCC4)C3)CC1)CCC2 1506395933 JWQIUWOYHYJVBG-HXUWFJFHSA-N 355.526 2.645 10 50 FFCA Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@]3(O)CCO[C@H]3C)c2C)c1 252491722 LRLKAUODOUZFFF-UWJYYQICSA-N 356.466 2.981 10 50 FFCA COC(=O)[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1O 170600552 KZTWDLBPDHCMLT-LBPRGKRZSA-N 355.177 2.738 10 50 FFCA COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)cc2)C1=O 1857666703 CAJFPSNYHPIJCW-UHFFFAOYSA-N 351.362 2.582 10 50 FFCA CCC[C@H]1COC[C@H]2CN(C3CCN(c4ccc(OC)cc4)CC3)CCN12 1875247140 RMZKSYVHNGEEQF-LEWJYISDSA-N 373.541 2.849 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 1104720 NJTDLSLOOGLOIF-LFIBNONCSA-N 352.415 2.835 10 50 FFCA CCc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 71384664 VCSLVMRNNPJTQD-UHFFFAOYSA-N 351.494 2.860 10 50 FFCA CCOc1cccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1O 20450774 CRBZFPMBVSHDDL-KRWDZBQOSA-N 350.503 2.706 10 50 FFCA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cn1 15856259 AFDIDPRWCGUIPX-POHAHGRESA-N 374.809 2.518 10 50 FFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)C=C(C)C)C3)CC2)cc1 55271451 JEADFBYWBQJUBV-IBGZPJMESA-N 357.498 2.774 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1O 1195315 PMXNOHMCAOBKKK-NTEUORMPSA-N 368.414 2.541 10 50 FFCA CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1O 1886890 UTSVWIRGDCHBKN-UKTHLTGXSA-N 367.448 2.857 10 50 FFCA CCOc1ccc(/C=C2\C(=O)NC(=S)N(CC)C2=O)c2ccccc12 1134775 KSQCPHUFQBKKJJ-RVDMUPIBSA-N 354.431 2.885 10 50 FFCA COc1cc(C)c(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1C 1186979 OOLXTPVMBSCBMS-DHDCSXOGSA-N 354.362 2.567 10 50 FFCA CCC(=O)Oc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 4865947 DZTKTQLUEAKEKX-UHFFFAOYSA-N 368.433 2.973 10 50 FFCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCC[C@H](C(N)=O)C3)c2)c1 20820409 YDSBHNYKEUXATI-HNNXBMFYSA-N 370.449 2.774 10 50 FFCA O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c1 13809782 IVUNOEOGWUEBRN-GOSISDBHSA-N 356.427 2.766 10 50 FFCA CCOc1ccccc1CN1CCN(Cc2ccccc2O)C[C@@H]1CCO 23372844 XKZKIPRFOQGMAD-FQEVSTJZSA-N 370.493 2.860 10 50 FFCA Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 1090148 AOHGFWVTYYWCQJ-GXDHUFHOSA-N 355.444 2.936 10 50 FFCA COc1cccc(O)c1CN1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 20905482 LEAYDETUDSDRSM-SFHVURJKSA-N 374.456 2.609 10 50 FFCA CC(=O)Oc1cccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1 16182914 XRSVCGKAGGBETK-WQRHYEAKSA-N 350.374 2.690 10 50 FFCA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 68462493 OCVMBLSRWJRWMD-CQSZACIVSA-N 364.442 2.702 10 50 FFCA O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1ccccc1 969850 GMRPUDKLBOTNPQ-ZROIWOOFSA-N 372.427 2.644 10 50 FFCA CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1cccc([N+](=O)[O-])c1)O2 136710131 IAGWJPOMLYEFDO-PDLPPMLWSA-N 365.349 2.960 10 50 FFCA CC(C)c1ccc(/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 1164285 BQXBOMRHLLQHEK-LFIBNONCSA-N 357.479 2.978 10 50 FFCA Cc1cc(Br)cc2c1NC(=O)/C2=C1\SC(=S)NC1=O 100110368 VLLRKQVBZJEPMJ-CLFYSBASSA-N 355.238 2.569 10 50 FFCA CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12 631980 UILWCZJJWXYSLH-UHFFFAOYSA-N 354.431 2.837 10 50 FFCA Nc1ccc(CC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cc1 952985361 BEKKBTLPIRTZSF-FQEVSTJZSA-N 354.450 2.898 10 50 FFCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 1202527 GLBSNSXUBOLWKW-XYOKQWHBSA-N 359.179 2.616 10 50 FFCA Cc1cc(C(=O)N2CCCO[C@H](CN)C2)c(C)n1-c1cccc(Cl)c1 818012219 KXVDDVYZUUBGDR-QGZVFWFLSA-N 361.873 2.937 10 50 FFCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)cc1 84460000 TYLZLAMUMVIJRZ-HXUWFJFHSA-N 370.493 2.874 10 50 FFCA CN1C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N(C)C1=O 1193712 PXZSASXSHDCETB-UHFFFAOYSA-N 368.364 2.839 10 50 FFCA O=C1N=C(O)/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 15837475 RQKHFVHRKDHADD-RIYZIHGNSA-N 353.290 2.807 10 50 FFCA C[C@@H](NC(=O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 72117881 NQLJGLOPZYADTC-OAHLLOKOSA-N 358.413 2.919 10 50 FFCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)c1 4973907 DEGBGGINHXTVNO-UHFFFAOYSA-N 373.184 2.864 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 4543588 RPDQWSPFUXFSKS-UHFFFAOYSA-N 355.394 2.874 10 50 FFCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NC[C@H](O)c1ccccc1 17993546 WKSGVWWQEIKBOW-PNDHZVEESA-N 366.377 2.524 10 50 FFCA CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N(C)C1=O 1194670 FXEBEVWOVMKPGZ-UHFFFAOYSA-N 368.364 2.839 10 50 FFCA CCN1CCC(N(CCc2ccccn2)C(=O)Cc2ccc(N)cc2)CC1 1506414677 IFBNBNGJIIVPHD-UHFFFAOYSA-N 366.509 2.762 10 50 FFCA COc1cccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1O 107100543 WTWDTQCGQRDBLA-SFHVURJKSA-N 374.456 2.609 10 50 FFCA c1cnc(-n2cncn2)c(CNC2CCN(c3ccc4c(c3)CCC4)CC2)c1 1506400196 BMDXSAAYRIYBIN-UHFFFAOYSA-N 374.492 2.910 10 50 FFCA Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)NC1=S 16309448 WEOZXFSNJOQQMH-VBKFSLOCSA-N 365.458 2.892 10 50 FFCA COc1ccc(N2C(=O)/C(=C\Nc3ccc(F)cc3)C(=O)NC2=S)cc1 13590620 NGXJHJAFDOUMRO-GDNBJRDFSA-N 371.393 2.578 10 50 FFCA CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nnnn1-c1ccccc1 1196283 WLJHNHDMNZRFIM-HNNXBMFYSA-N 350.407 2.546 10 50 FFCA Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 100173938 ASHNZDGMHIFFLY-JMVABTLVSA-N 360.460 2.698 10 50 FFCA COc1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c(O)c1 23359977 MYQIISODMHBLBK-INIZCTEOSA-N 362.495 2.531 10 50 FFCA O=C(O)CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S 2832529 JHCHXPYFCOTUOJ-UXBLZVDNSA-N 372.811 2.924 10 50 FFCA COC[C@]1(O)CCN(C2CCN(c3ccc(OC)cc3)CC2)CC1(C)C 91547437 OELCPTHXPFCGOX-OAQYLSRUSA-N 362.514 2.773 10 50 FFCA Cc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)s1 13482899 OQQCEJZJBGRXMD-GDNBJRDFSA-N 358.394 2.900 10 50 FFCA aggregator COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 811989 NWCORAMFKOWNBA-UHFFFAOYSA-N 372.899 2.921 10 50 FFCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1S(=O)(=O)O 100244812 MPYKTAKYPNUACE-ZDBRSUKYSA-N 358.379 2.808 10 50 FFCA O=C(c1cccc(O)c1O)N1CCCN(CCCc2ccccc2)CC1 72463580 MKPZDGNLUZBCLH-UHFFFAOYSA-N 354.450 2.879 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O 1168254 LYZCMFMJGJQSAS-OQLLNIDSSA-N 366.373 2.684 10 50 FFCA C[C@@H](O)Cc1cn(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nn1 23398351 JYAPHKLXZRQOCF-QGZVFWFLSA-N 369.513 2.639 10 50 FFCA CCOC(=O)c1n[nH]cc1C=C1CCn2c1nc1sc(C)c(C)c1c2=O 1857532159 PDANSOHCDUSZHV-UHFFFAOYSA-N 370.434 2.919 10 50 FFCA COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1OC 13785451 KHGWKLJOCHPIIP-FQEVSTJZSA-N 371.482 2.875 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)c(F)c1 104422837 RDHTYHHYJFFHNX-GOSISDBHSA-N 374.456 2.609 10 50 FFCA O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299788328 RUGUOUJOCXNIPC-OTWHNJEPSA-N 352.434 2.940 10 50 FFCA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O 1195109 TZFZJRATRMFFRR-GXDHUFHOSA-N 368.414 2.622 10 50 FFCA COc1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1OC 334163629 ZHBLGTJFBMDDKC-GDNBJRDFSA-N 364.492 2.958 10 50 FFCA CN1CCN(c2ccc(CNC(=O)CSCc3ccccc3)cc2)CC1 65365550 SOKNVBOPRHESHC-UHFFFAOYSA-N 369.534 2.988 10 50 FFCA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccnc1 969595 WFAOFDVPDWTCPK-ZROIWOOFSA-N 355.444 2.922 10 50 FFCA O=C1N=C(NCCCN2CCOCC2)S/C1=C/C=C/c1ccccc1 20219055 GYVSVRIHJQJNLB-JWTPKGPHSA-N 357.479 2.525 10 50 FFCA CCc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2309327 MAKMYOFOHUCGCB-FYQHACEVSA-N 367.517 2.637 10 50 FFCA CCCCS(=O)(=O)c1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O 4694298 KDEFVKZPNLIKLL-UHFFFAOYSA-N 372.398 2.734 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)c(F)c1 19220750 RDHTYHHYJFFHNX-SFHVURJKSA-N 374.456 2.609 10 50 FFCA CN(C)C(=O)CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 897349956 HWDNUSQSMOBAFX-UHFFFAOYSA-N 362.451 2.643 10 50 FFCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)NC3CC3)ccc12 1111626 QISJFRNFIGLUBD-UHFFFAOYSA-N 353.374 2.921 10 50 FFCA COc1ccc(CN/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 3833255 SAAUFNFGJRBZER-PDGQHHTCSA-N 366.377 3.000 10 50 FFCA O=C(c1cccc(O)c1O)N1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 77505778 NTZABBHOZAPZAH-NRFANRHFSA-N 372.465 2.885 10 50 FFCA O=C(O)c1ccc(/N=N/c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O 100725222 PHDVEJUSUBVDMY-ISLYRVAYSA-N 358.262 2.895 10 50 FFCA COCCc1nc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)no1 1506398830 UYGBKYOMVKJRFV-UHFFFAOYSA-N 356.470 2.506 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1O 15659337 MAAMEHFIPKSHGS-ZROIWOOFSA-N 368.414 2.541 10 50 FFCA CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 10112177 DIUFKQMMBPBSSH-UHFFFAOYSA-N 373.478 2.588 10 50 FFCA CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3ccc(N)cc3)ccc2NC1=O 161365798 VMEXKWVMTIZWIY-SJKOYZFVSA-N 353.422 2.798 10 50 FFCA COc1ccc(N2CCN(CC(=O)Nc3nc(C)c(C)s3)CC2)cc1 19855070 RALVQJMRBYNDTI-UHFFFAOYSA-N 360.483 2.529 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1C 1208473 YDRYAQYPPRCDKY-OVCLIPMQSA-N 364.357 2.699 10 50 FFCA CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc2nsnc12 225577229 KLBJHAXRUSYPAM-UHFFFAOYSA-N 363.420 2.753 10 50 FFCA Oc1ccc(C2(CNC[C@@H](O)COc3ccccc3)CCCC2)cc1O 22589344 HMMSSCFHAFOLSO-QGZVFWFLSA-N 357.450 2.939 10 50 FFCA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O 1199613 NOUWXUCRPTWRBZ-MDWZMJQESA-N 358.781 2.906 10 50 FFCA COCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100376404 IGCSLMZTQIJQTB-HJWRWDBZSA-N 370.356 2.681 10 50 FFCA CCOC(=O)c1cnc2c(NC=C3C(=O)OC(C)(C)OC3=O)cccc2c1 214469015 UWPIJMKFBMRBHW-UHFFFAOYSA-N 370.361 2.543 10 50 FFCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1OC 1192790 PJBPCDURTPTWLX-RVDMUPIBSA-N 366.373 2.679 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cccc(NC(C)=O)c3)CC2)cc1 5392542 OMRPUFLLMNKOQT-UHFFFAOYSA-N 353.422 2.616 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 4757699 HOBYWWLYBAMFFW-UHFFFAOYSA-N 359.357 2.705 10 50 FFCA C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 10113452 XXCZARNAKFGAER-HNNXBMFYSA-N 358.413 2.746 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)o1 15009139 YZWWFVUKFLWWDL-FLIBITNWSA-N 361.151 2.709 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cnc(C)nc3C)CC2(C)C)cc1 91326377 FEWKQOKSZOSBTO-UHFFFAOYSA-N 354.454 2.843 10 50 FFCA COCc1cccc([C@@H](C(=O)O)N2CCN(c3ccc(OC)cc3)CC2)c1 95512665 AQVUBNMRDPCDED-FQEVSTJZSA-N 370.449 2.790 10 50 FFCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N=C3O)c2C)cc1[N+](=O)[O-] 1161801 XUZFLFIHMOQHIT-UHFFFAOYSA-N 368.349 2.900 10 50 FFCA COc1ccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cc1 2549322 LXFFLXZLJFRNNO-YCRREMRBSA-N 366.417 2.786 10 50 FFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(OC)cc3)S2)CC1 4754754 CHWFMJBVNDEANP-FOWTUZBSSA-N 374.462 2.941 10 50 FFCA C[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 72139183 YAVNHEVVROMMQQ-KRWDZBQOSA-N 353.466 2.522 10 50 FFCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 12412898 KNRJKTKEDIDEGN-NVNXTCNLSA-N 350.330 2.920 10 50 FFCA N/C=C1/C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 19832251 FHNLYRGSQSLTIT-BOPFTXTBSA-N 365.433 2.580 10 50 FFCA CC12CCC(CC1)N2C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1875289120 TYXLPOCLVKMNFA-SRWJYRBRSA-N 370.497 2.615 10 50 FFCA O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100616457 RPCJBPJVTPVNQM-YCPHGPKFSA-N 372.808 2.681 10 50 FFCA COCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 4832763 BNEUBBVGULIBJG-GXDHUFHOSA-N 353.465 2.942 10 50 FFCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C 100836760 IOVANGZAJUJAJT-MHWRWJLKSA-N 364.380 2.822 10 50 FFCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C)cc3)CC2)cc1 20724987 ZRZVQTKZLDCQLH-LJQANCHMSA-N 356.466 2.566 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 1124114 OTEYXHOCWMRWMU-UHFFFAOYSA-N 371.393 2.574 10 50 FFCA Cc1cc(Oc2nn(Cc3ccc(N(C)C)cc3)cc2C)n2ncnc2n1 1534067606 PXCBMJQGBOZZOR-UHFFFAOYSA-N 363.425 2.844 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 5481931 AFKIJTNJGQPRIV-YTRUQHMWSA-N 365.432 2.695 10 50 FFCA CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(CC)C1=O 1163901 WIQCTDHNKGCTBP-LCYFTJDESA-N 351.449 2.850 10 50 FFCA O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Br)cc1 13562408 PIWWUCVAJOIFNR-XFXZXTDPSA-N 353.241 2.752 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5838305 LPYQKLLCNZMFBW-UWUHSAQLSA-N 365.432 2.726 10 50 FFCA CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1 1191194 IFADTBGBYGDIQI-GXDHUFHOSA-N 364.492 2.907 10 50 FFCA O=C(O)CCN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 16677686 XGFYMHNHUOAPHS-IQQCYWCCSA-N 364.404 2.827 10 50 FFCA COc1c(Cl)cc(Br)cc1/C=C1\NC(=S)N(C)C1=O 4725629 HZQRWXOKSFPEIA-WTKPLQERSA-N 361.648 2.799 10 50 FFCA O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 13632480 IXEKJXDGZVRMEL-UHFFFAOYSA-N 374.462 2.537 10 50 FFCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)OCO2 1857666697 SEQGWEINWMHTJH-UHFFFAOYSA-N 370.748 2.735 10 50 FFCA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 190427357 YYRMHVYSJDKLNX-PMACEKPBSA-N 370.497 2.750 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1O 15013085 JTBPWSVDTZTTGL-JYRVWZFOSA-N 372.764 2.721 10 50 FFCA CN1CCN(c2ccc(/C=C3/SC(=S)N=C3O)cc2[N+](=O)[O-])CC1 19757192 OEKVPFJSCGSVFF-UKTHLTGXSA-N 364.452 2.676 10 50 FFCA OCC[C@@H]1CN(Cc2ccccc2O)CCN1Cc1ccc(F)c(F)c1 23357973 CBTOGAVRZIVBCX-QGZVFWFLSA-N 362.420 2.739 10 50 FFCA COCCN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1=S 2986555 QDYHPVHGOUKYHB-XGICHPGQSA-N 357.840 2.916 10 50 FFCA O=C1NC(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)cc2)C(=O)N1 4060632 ZRINMHRKLBYSFL-UHFFFAOYSA-N 356.765 2.668 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 1218373 SMMIVUMNKJGVNT-UHFFFAOYSA-N 357.410 2.627 10 50 FFCA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1F 1174884 OWGGFDASKLOYFA-UHFFFAOYSA-N 355.369 2.667 10 50 FFCA COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 55062723 RQZIEAXNLQXHGT-UHFFFAOYSA-N 360.845 2.504 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1ccc(N(C)C)cc1 8915110 GAYNOXXTZKUGFM-UHFFFAOYSA-N 368.462 2.915 10 50 FFCA COc1cccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)N2CCCC2)c1 225614959 WMDGOQSWPVUIRV-INIZCTEOSA-N 374.412 2.812 10 50 FFCA COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c1 1210371 ZUYNAAKLOUOAFJ-NTEUORMPSA-N 371.443 2.636 10 50 FFCA O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1CCCC1 13387817 LVMFWVIZWATSGJ-LCYFTJDESA-N 350.440 2.649 10 50 FFCA COc1ccc(N2CCN(C(=O)CCn3cc(Cl)cn3)[C@H](C)C2)cc1 72435118 KMZMTEIHKOQBFF-CQSZACIVSA-N 362.861 2.673 10 50 FFCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1OC 1192550 SDZCSSXLKZFNCM-SDNWHVSQSA-N 366.373 2.679 10 50 FFCA CCOC(=O)[C@@]12O[C@]1(c1ccc(CC)cc1)C(=O)c1ccccc1C2=O 5022945 PTOMMMVVCKNMMJ-NHCUHLMSSA-N 350.370 2.856 10 50 FFCA COc1ccc(OC)c(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1 13576554 AICGEFBMHNQWOL-BOPFTXTBSA-N 352.390 2.782 10 50 FFCA COc1ccc(CCN2C[C@H](NCc3ccc4c(c3)CCO4)CC2=O)cc1 11874422 HRMCOYGOVZCPEN-LJQANCHMSA-N 366.461 2.563 10 50 FFCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 5066600 IIGCFMZGXXGFHA-ZROIWOOFSA-N 369.333 2.978 10 50 FFCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13562190 BVPMTVKZFDNRBK-HBZGRHIISA-N 373.908 2.728 10 50 FFCA COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC 15837151 ICZLPOBPENZLSH-JYRVWZFOSA-N 358.781 2.819 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)cc1 19228495 CNTWYWLVDJZPAP-UHFFFAOYSA-N 350.422 2.614 10 50 FFCA CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 1857666685 MTZOXFWDKHNLEB-UHFFFAOYSA-N 369.421 2.723 10 50 FFCA COc1cccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1O 22851939 KWDURXHDRGXBGK-FQEVSTJZSA-N 370.493 2.778 10 50 FFCA CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2)C1=O 1182202 WVPYNQYATMXCTI-NTCAYCPXSA-N 366.373 2.760 10 50 FFCA COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 5595822 VOGBGYIGIVOYNB-WJDWOHSUSA-N 367.430 2.747 10 50 FFCA COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1O 15658713 UPIRBAVLOCIMFU-SDQBBNPISA-N 362.744 2.655 10 50 FFCA COCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=S 2929605 LBVQBZKEICVWEL-XFFZJAGNSA-N 359.856 2.902 10 50 FFCA COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1O 1194744 SUJMGDLBTPFCMK-UITAMQMPSA-N 360.254 2.994 10 50 FFCA COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1O 5073462 NCPVLQFUTPGPOM-NVNXTCNLSA-N 352.346 2.905 10 50 FFCA Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1 1177877 FHVHDYICLONCEM-UHFFFAOYSA-N 372.384 2.597 10 50 FFCA COc1cc([N+](=O)[O-])cc(CN2CCN(c3ccccc3F)CC2)c1O 4980270 PIWHDBGNBUQWQC-UHFFFAOYSA-N 361.373 2.770 10 50 FFCA CN1C(=O)C(=Cc2ccccc2OCc2ccccc2)C(=O)N(C)C1=S 1185927 YKCXNYNFAJBFFI-UHFFFAOYSA-N 366.442 2.864 10 50 FFCA O=C(Cc1nc2ccccc2o1)NCc1ccc(N2CCOCC2)cc1 32587319 NIDKSVXEGGDBIN-UHFFFAOYSA-N 351.406 2.523 10 50 FFCA O=C(O)CN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=S 1193548 QKXZSOYXAMWPPT-KRXBUXKQSA-N 364.231 2.985 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 5061678 LBAFSUHUCQGWCP-PFKGSKDKSA-N 363.329 2.817 10 50 FFCA CC(C)(C)C1(C)OC(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)O1 1182343 RXAPYLGZVSCQIB-UHFFFAOYSA-N 363.322 2.569 10 50 FFCA CCCN1C(=O)/C(=C2\SC(=S)N(CCOC)C2=O)c2ccccc21 13765939 IOAZBXZWWNQVMY-YPKPFQOOSA-N 362.476 2.661 10 50 FFCA Cc1n[nH]c(C)c1-c1cc(-c2ccc(O)c(CN(C)C)c2)c(C#N)c(N)n1 71708098 JDWGPFSTLSANBS-UHFFFAOYSA-N 362.437 2.977 10 50 FFCA O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 2746805 BHMMKEDVSRNDRD-UHFFFAOYSA-N 356.197 2.979 10 50 FFCA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1c(C)c2ccccc2n1C 1704326544 GPPYXWOPYSPKLX-UHFFFAOYSA-N 353.470 2.722 10 50 FFCA CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 1779687 SZSBPBRZCSVZIK-MDWZMJQESA-N 367.448 2.770 10 50 FFCA COc1ccc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c(O)c1 20777279 WCNXSNJILUCASS-FQEVSTJZSA-N 370.493 2.778 10 50 FFCA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(-c3ncccn3)ccc2O)C1 299797469 OZKSDZIJWGKWRM-KRWDZBQOSA-N 368.481 2.930 10 50 FFCA COc1ccc(N2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1 13331791 BPPGQEJTAWJDTA-UHFFFAOYSA-N 362.376 2.701 10 50 FFCA COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC 16667962 ZAGBLWFOJRQMDE-YBEGLDIGSA-N 352.390 2.782 10 50 FFCA Oc1ccccc1CN1CCc2[nH]cnc2[C@@H]1c1cccn1-c1ncccn1 67803889 ZZELARHTJOGBPD-FQEVSTJZSA-N 372.432 2.844 10 50 FFCA CCOc1cc(Br)cc(/C=C2\NC(=S)N(CC)C2=O)c1O 100274744 ORBTTZAKTXJGLU-POHAHGRESA-N 371.256 2.631 10 50 FFCA COc1ccc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 5041301 BGILHXBLRGDTPS-UHFFFAOYSA-N 356.382 2.958 10 50 FFCA CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2)C1=O 5092006 WVPYNQYATMXCTI-QINSGFPZSA-N 366.373 2.760 10 50 FFCA CCOc1cccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c1O 19299787 DBFZKKQIMZIJAA-SFHVURJKSA-N 374.481 2.761 10 50 FFCA CCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1OC 2938419 ZQTSANMTLWCHAK-UVTDQMKNSA-N 353.465 2.942 10 50 FFCA COc1cccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 5648587 YDQDDZVKJTUGTN-PTNGSMBKSA-N 351.362 2.582 10 50 FFCA O=S(=O)(Nc1ccc(Br)cc1)c1cccc2nonc12 653179 ICPRNDCTHGJHOZ-UHFFFAOYSA-N 354.185 2.786 10 50 FFCA O=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 11906603 DPEBSHBTNLTJKC-UHFFFAOYSA-N 374.418 2.733 10 50 FFCA COc1ccccc1N1C(=O)/C(=C\Nc2cccc(C)c2)C(=O)NC1=S 2892772 QBURGBJCCSJDJN-KAMYIIQDSA-N 367.430 2.747 10 50 FFCA COc1ccc2c(C(=O)N3CCc4ccc(N(C)C)cc4C3)cnn2c1 2325755800 SXALZAZBKIAPIJ-UHFFFAOYSA-N 350.422 2.607 10 50 FFCA Cc1ccccc1N/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 2892798 FPFZZSRDRISQBR-BENRWUELSA-N 355.394 2.878 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 6833176 BFPBXCKFHXGRIN-YTRUQHMWSA-N 366.420 2.905 10 50 FFCA O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 10113406 AQRROCIIMORRDW-UHFFFAOYSA-N 366.870 2.655 10 50 FFCA CN(CCc1nc(-c2ccccc2)no1)C(=O)NCCc1ccc(N)cc1 841962371 OMTJZVVPPTYXNE-UHFFFAOYSA-N 365.437 2.745 10 50 FFCA COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(Cl)c3)C2=O)c1 17086497 JSDXQOLCVUOESK-GDNBJRDFSA-N 371.780 2.927 10 50 FFCA COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 1119081 OXTAQYUYBVQFJR-UHFFFAOYSA-N 355.394 2.778 10 50 FFCA Cc1ccc(N2NC(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3O)C2=O)cc1 22023115 SPLWNIMEJCXKMI-PDGQHHTCSA-N 374.400 2.656 10 50 FFCA CN1CCN(c2ccc(CNC(=O)COc3cccc(Cl)c3)cc2)CC1 65364188 LNFFRRNGUGIKKM-UHFFFAOYSA-N 373.884 2.787 10 50 FFCA COc1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 13946294 OOTNGRMXGVCMHH-UHFFFAOYSA-N 372.421 2.558 10 50 FFCA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3O)C2)cc1 6729505 YFDRWMZASDIWNE-KRWDZBQOSA-N 368.389 2.943 10 50 FFCA Cc1cc(C)n(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)c(=O)n1 825132077 VWMOAGHGRKJFPT-UHFFFAOYSA-N 366.509 2.607 10 50 FFCA COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(O)cc34)CC2)cc1 54106028 ATOLKIIXQAADOH-UHFFFAOYSA-N 366.417 2.829 10 50 FFCA biogenic CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NC[C@@H](O)c1ccccc1 17967674 WKSGVWWQEIKBOW-UWKDKTGGSA-N 366.377 2.524 10 50 FFCA COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 15856911 ILWFAGQJQUWENB-RAXLEYEMSA-N 370.336 2.509 10 50 FFCA COc1cccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1O 77329634 WTWDTQCGQRDBLA-GOSISDBHSA-N 374.456 2.609 10 50 FFCA CN1C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N(C)C1=O 1092574 DUKICAGSLFYSKR-UHFFFAOYSA-N 368.364 2.839 10 50 FFCA COc1cc2c(cc1OC)[C@H](c1cccc(OC)c1O)N(C(C)=O)CC2 755791 ZGIUHEUVKWISBZ-IBGZPJMESA-N 357.406 2.912 10 50 FFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(F)cc1 980479 VDAVYJLFBZTBTB-UHFFFAOYSA-N 371.437 2.832 10 50 FFCA C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 72139247 JCIIOILJIQAKSU-MRXNPFEDSA-N 371.456 2.661 10 50 FFCA O=C1C=C(O)C[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)N1 953113944 HKRXSGKREFTPSK-IBGZPJMESA-N 356.447 2.790 10 50 FFCA CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Cl 1163089 HUFBUXCFFOPVMY-JTQLQIEISA-N 350.802 2.951 10 50 FFCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)C(=O)C2=O 2394501 QYLRKFJKZWAAJG-CVEARBPZSA-N 365.227 2.747 10 50 FFCA CCOc1cccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1O 39379537 CRBZFPMBVSHDDL-QGZVFWFLSA-N 350.503 2.706 10 50 FFCA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cn1 15856173 OJMUOMGNHKZZMQ-XGICHPGQSA-N 374.809 2.518 10 50 FFCA COc1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2C)c1 6715948 VYEFSHPBJPBTRO-UHFFFAOYSA-N 356.422 2.858 10 50 FFCA Cc1cccc(N2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)C2=O)c1 6886680 JZYIGBZKKRSIIZ-LGMDPLHJSA-N 353.422 2.942 10 50 FFCA Oc1ccc(Br)cc1CN1CCN(Cc2ccccn2)CC1 19362346 CCTJVUQVVVHZMQ-UHFFFAOYSA-N 362.271 2.868 10 50 FFCA O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1230892 BVPMTVKZFDNRBK-LAPSENCUSA-N 373.908 2.728 10 50 FFCA CN1C(=O)C(=C/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(=O)N(C)C1=O 220989029 IGXVJLJMHWMEEP-VXFWDVHGSA-N 365.433 2.831 10 50 FFCA CCN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 12411986 ZWHICDKPELRIJC-ICFTUWFRSA-N 374.487 2.804 10 50 FFCA Cc1n[nH]cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 121012572 QYBFWCMAVQSUHI-UHFFFAOYSA-N 354.376 2.863 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 4831993 OYRKJDNVXYIVJV-XFXZXTDPSA-N 357.753 2.624 10 50 FFCA C[C@H](O)Cc1cn(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nn1 23398354 JYAPHKLXZRQOCF-KRWDZBQOSA-N 369.513 2.639 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)CC2)cc1 6702876 NPZRFCZOEVLLHA-UHFFFAOYSA-N 367.449 2.924 10 50 FFCA Fc1cc(CNc2nncn2Cc2ccccc2)ccc1N1CCOCC1 159004321 MJVXXRXCKBPLNE-UHFFFAOYSA-N 367.428 2.914 10 50 FFCA [N-]=[N+]=NCCOCCOCCOCCOCCOCc1ccccc1 390835901 SEXRRFNOZVJOLP-UHFFFAOYSA-N 353.419 2.580 10 50 FFCA CCOc1cc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)ccc1O 4754827 WAZRDVHQZAAHNT-VIWCAORXSA-N 362.451 2.870 10 50 FFCA COc1ccc(N2CCN(C(=O)c3sc(N)nc3C)CC2(C)C)cc1 77342072 DQGMZFDUXUZOSC-UHFFFAOYSA-N 360.483 2.783 10 50 FFCA Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C 2755172 RTVASTUSPKFRJM-UHFFFAOYSA-N 350.465 2.753 10 50 FFCA CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1C 1124806 OUYLKFKODZVRAW-GXDHUFHOSA-N 355.369 2.930 10 50 FFCA COc1ccc(N2C(=O)/C(=C\c3sccc3C)C(=O)NC2=S)cc1 1197688 HPXLQBKEIQNVPY-LCYFTJDESA-N 358.444 2.896 10 50 FFCA O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccccc1 15008329 OPLAEPIMHFDWCH-GXDHUFHOSA-N 356.428 2.938 10 50 FFCA COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1197588 WDAWNYLYLDWAKQ-RAXLEYEMSA-N 351.449 2.850 10 50 FFCA COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(N(C)C)cc1 4757576 XAMMPWCWBWFWBZ-UHFFFAOYSA-N 365.437 2.910 10 50 FFCA COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C)cc2)c1 6715928 GGZHUHXQMVQGJH-UHFFFAOYSA-N 356.422 2.858 10 50 FFCA COc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3O)C2)c1 6730369 GUAFCOSYJSCRHT-KRWDZBQOSA-N 368.389 2.943 10 50 FFCA CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 12504456 NDUVSANREQEDRE-CQSZACIVSA-N 370.457 2.908 10 50 FFCA in-vivo CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)cc1 17198067 PYZXBGABUXRGDO-UHFFFAOYSA-N 370.386 2.878 10 50 FFCA COc1ccc(N2CCN(C[C@H](O)COc3cc(C)ccc3C)CC2)cc1 1156083 DZGAMMTYPPOLDX-FQEVSTJZSA-N 370.493 2.874 10 50 FFCA O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1CCc1ccc(F)cc1 11753983 JROQZPUVSSBNRQ-LJQANCHMSA-N 354.425 2.694 10 50 FFCA CCNC(=O)N1CCC(NC2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506404044 FKBVBHLWQORJKX-UHFFFAOYSA-N 370.541 2.928 10 50 FFCA O=C(N=c1cco[nH]1)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 368221918 OMBUMQCFZYYYJL-NSHDSACASA-N 370.331 2.643 10 50 FFCA Cc1c(CCNC(=O)N2CC[C@H](N(C)C)C2)c2cccc3c2n1CCC3 426632953 WVAJKTJMFDVCPE-KRWDZBQOSA-N 354.498 2.784 10 50 FFCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O 16676193 ZVDZBKMYYYDZNI-AWNIVKPZSA-N 374.805 2.583 10 50 FFCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 1199311 XPZBTLORZZBCKL-QGOAFFKASA-N 374.356 2.847 10 50 FFCA CO[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1c1cnn[nH]1 818285256 GOLRBQBBTDYTES-FXAWDEMLSA-N 355.486 2.718 10 50 FFCA CC(C)(C)N1C(=O)NC(=O)/C(=C\c2ccc(Br)s2)C1=O 16322839 CPCYOQACLZHUNG-SOFGYWHQSA-N 357.229 2.771 10 50 FFCA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 2843555 XIHFRXVSFKXMIW-RAXLEYEMSA-N 371.780 2.927 10 50 FFCA COCCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(C)c1 97514230 WVGRTCNNQFHEKD-CQSZACIVSA-N 371.437 2.960 10 50 FFCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1786457 NQFYFJCESYRWQS-LCFDYFRESA-N 369.489 2.800 10 50 FFCA O=CN1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1 20908273 ONQCPACJRAGWAY-UHFFFAOYSA-N 353.447 2.943 10 50 FFCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC 14011280 BKTPRQFVVNUGJZ-UITAMQMPSA-N 360.254 2.955 10 50 FFCA CC[C@]12COC(=O)N1CCN(C1CCN(c3ccc(OC)cc3)CC1)C2 1857675525 BZWYVCKUECDRLE-FQEVSTJZSA-N 359.470 2.581 10 50 FFCA COc1ccc(N2CCN(C(=S)NCCc3ccccc3)CC2)cc1 1153197 ASMIMCMFQPHHEL-UHFFFAOYSA-N 355.507 2.934 10 50 FFCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4576824 NCZDMWSFPHRCQS-QPEQYQDCSA-N 370.748 2.735 10 50 FFCA O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C[C@H](Oc2ccccc2)C1 849362590 SCFMCBSGADEBHA-JCNLHEQBSA-N 352.390 2.766 10 50 FFCA COc1ccc(N2CCN(c3nc(C)c4c(n3)CCCC4=O)CC2)cc1 4973722 DXFZMHNGOMYYKJ-UHFFFAOYSA-N 352.438 2.639 10 50 FFCA O=C(O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 966839 GRUJFJUZJHYCKW-UITAMQMPSA-N 358.238 2.735 10 50 FFCA CCOC(=O)N1CCN(Cc2cc(-c3cccc(OC)n3)ccc2O)CC1 299792796 GTNPDMWFGPCYRL-UHFFFAOYSA-N 371.437 2.737 10 50 FFCA Cn1cccc1CN1CCN(Cc2cc(Br)ccc2O)CC1 19363462 HZDBPRATIWYPGX-UHFFFAOYSA-N 364.287 2.811 10 50 FFCA Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 54285327 MNTVNWDAJJULHR-KRWDZBQOSA-N 354.450 2.915 10 50 FFCA COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(O)c1 39379933 KQPBCCWHBCNIHH-LJQANCHMSA-N 374.456 2.609 10 50 FFCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2 5091818 SEQGWEINWMHTJH-XFFZJAGNSA-N 370.748 2.735 10 50 FFCA COc1ccc2nc(NC3=N[C@H](c4ccccc4)CC(=O)N3)nc(C)c2c1 1205061 WNSKTLYAZPBULC-KRWDZBQOSA-N 361.405 2.976 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc(Cl)ccc3O)C2=O)cc1 6088238 HQUWIZPWGHUCIK-LCYFTJDESA-N 371.780 2.933 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3cccs3)[C@H](CCO)C2)c1 39379727 JZOLRQGWHDQGGX-MRXNPFEDSA-N 362.495 2.531 10 50 FFCA COC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1218744 MTUVJJADOOYHNW-POHAHGRESA-N 372.265 2.823 10 50 FFCA CN1C(=O)C(=Cc2ccccc2OCc2ccccc2F)C(=O)N(C)C1=O 1063058 WPSKJBBSRVYTJB-UHFFFAOYSA-N 368.364 2.839 10 50 FFCA Cc1cc(N2CCNC(=O)C2)ccc1CNCc1cccc2ncccc12 2325760545 QBJQIVDMVXLJHO-UHFFFAOYSA-N 360.461 2.769 10 50 FFCA O=C(N=c1cco[nH]1)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 368221917 OMBUMQCFZYYYJL-LLVKDONJSA-N 370.331 2.643 10 50 FFCA CC(C)(O)Cn1nc(COc2ccccc2)nc1Cc1ccc(N)cc1 827558840 NTTIRNDVOYKYOA-UHFFFAOYSA-N 352.438 2.801 10 50 FFCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1OC 797850 UQUXFHLXILSLDE-DFSFMLJYSA-N 357.406 2.547 10 50 FFCA Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 13669217 ISJKYVFCUFPGGZ-UHFFFAOYSA-N 354.450 2.835 10 50 FFCA CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2OC)C1=O 2496554 VCUYACVWBOXKSY-RVDMUPIBSA-N 360.410 2.746 10 50 FFCA CCOc1cccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1O 20535376 HWSNVCUOLGTTPD-IBGZPJMESA-N 362.514 2.992 10 50 FFCA Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 1202522 YWJIBBRQRVBONR-ZROIWOOFSA-N 351.318 2.570 10 50 FFCA Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C 15012845 IFFZJMGANHBOFE-DHDCSXOGSA-N 357.410 2.612 10 50 FFCA COc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] 4990818 FYXDGJBGGPRQKO-UHFFFAOYSA-N 358.759 2.763 10 50 FFCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cc(C)[nH]n4)C3)CC2)cc1 20453930 AJFNNBLBMOFFOO-HXUWFJFHSA-N 369.513 2.513 10 50 FFCA Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1 71769705 VYVLDWWHTAWXLD-UHFFFAOYSA-N 368.418 2.717 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc4nonc4c3)CC2(C)C)cc1 91713007 BKEQAFRDVQKOEW-UHFFFAOYSA-N 366.421 2.972 10 50 FFCA COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 16671074 SKMXVKXBRMYDJU-LCYFTJDESA-N 373.206 2.919 10 50 FFCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCc1ccc(F)cc1 5649344 WCMVPOWNLYQKTE-GDNBJRDFSA-N 373.771 2.736 10 50 FFCA Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1 1168697 HOYDIUADODFENZ-UHFFFAOYSA-N 359.385 2.747 10 50 FFCA CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccnc(-n2ccnc2)c1 363443863 ZVCRKSBOOVOBTC-UHFFFAOYSA-N 364.453 2.675 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)c4ccc(O)nc4C(C)C)C3)C2)cc1 2100539562 NZQCQZCMZQZMCQ-UHFFFAOYSA-N 367.449 2.882 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)c4cccc5c4COC5)C3)C2)cc1 2100557628 XDHCVYGNBXXFDU-UHFFFAOYSA-N 350.418 2.688 10 50 FFCA COC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 4860721 UTRWIKJBMSQPCT-UXBLZVDNSA-N 372.265 2.823 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@H](C)n3cc(C)cn3)CC2(C)C)cc1 91365134 VRCSNFGRPBTGSG-INIZCTEOSA-N 356.470 2.889 10 50 FFCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNCCCN1CCOCC1 12278664 RBTDMURDTAHUJA-UHFFFAOYSA-N 370.449 2.600 10 50 FFCA Cc1cc(C)n(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 4084301 UMLTZPIPIQHVDB-UHFFFAOYSA-N 366.398 2.512 10 50 FFCA CC(C)(C)NC[C@@H](O)COc1cccc2c1C(=O)c1ccccc1C2=O 96028115 GBTWAPVFXUKHOI-CYBMUJFWSA-N 353.418 2.590 10 50 FFCA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(C4CC4)o3)cc2)C1 1875271425 NRXQUMMJRCYGBL-INIZCTEOSA-N 367.449 2.789 10 50 FFCA COc1ccc(N2CCN([C@H]3CCCN(Cc4c[nH]c(C)n4)C3)CC2)cc1 20452220 RCKNHIOCNSZBGA-FQEVSTJZSA-N 369.513 2.513 10 50 FFCA C[C@H]1CCCN(c2ccc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)cc2)C1 97756317 PRNRTEJNPUYSBU-AWEZNQCLSA-N 366.465 2.814 10 50 FFCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2 1177512 SEQGWEINWMHTJH-YRNVUSSQSA-N 370.748 2.735 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 6884334 BRBJMKOZCKNMHK-SEVUFMINSA-N 365.432 2.695 10 50 FFCA COc1cccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)N2CCCC2)c1 225614987 WMDGOQSWPVUIRV-MRXNPFEDSA-N 374.412 2.812 10 50 FFCA COc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)cc1[N+](=O)[O-] 2832373 IKUYOXKDAAMLQJ-UHFFFAOYSA-N 373.346 2.618 10 50 FFCA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2892701 CVJWSCIQILGMSP-GDNBJRDFSA-N 371.780 2.927 10 50 FFCA COc1ccc(N2CCC(N3CCCN(C(=O)C4CCC4)CC3)CC2)cc1 1772817998 LCMGWDMKMVCOAB-UHFFFAOYSA-N 371.525 2.998 10 50 FFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1O 2916462 ZEYZQRKEMAZIKU-NTUHNPAUSA-N 374.805 2.583 10 50 FFCA COc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3O)C2)c1 6730372 GUAFCOSYJSCRHT-QGZVFWFLSA-N 368.389 2.943 10 50 FFCA COc1ccc(CNC(=O)C2CCN(Cc3ccccc3O)CC2)cc1 584904480 KZWGVUGGQVXPMA-UHFFFAOYSA-N 354.450 2.929 10 50 FFCA COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)ccc3C)CC2)cc1 1156082 DZGAMMTYPPOLDX-HXUWFJFHSA-N 370.493 2.874 10 50 FFCA CN(C1=NC(=O)/C(=C2\C(=O)Nc3ccccc32)S1)c1ccc(O)cc1 13130214 CTGTZVNHTVFMNA-CCEZHUSRSA-N 351.387 2.821 10 50 FFCA Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c(C)c1 660042 DQIXTYSKNFFUFV-UHFFFAOYSA-N 353.447 2.625 10 50 FFCA O=C(O)CCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1916934 KGSCKRDJVKGYIN-FLIBITNWSA-N 352.393 2.661 10 50 FFCA CCCc1cnc(N2CCN(Cc3cccc(OCC)c3O)CC2)nc1 65395571 ITLLNGMKUSDFGL-UHFFFAOYSA-N 356.470 2.856 10 50 FFCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 15659754 RNLGHTGJAREYND-DHDCSXOGSA-N 367.317 2.805 10 50 FFCA C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 72115861 WZBYNNOLYDWNGO-OAHLLOKOSA-N 358.413 2.919 10 50 FFCA CCn1c(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nn(C)c1=O 67740883 UVZWVSUHNGZBNF-UHFFFAOYSA-N 369.513 2.582 10 50 FFCA COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1OC 2928082 RAUSPIUJPSYNSG-UHFFFAOYSA-N 351.409 2.509 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1 104412625 LIAMVZOFBZKLKU-HXUWFJFHSA-N 370.493 2.778 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cc(=O)cc(C)o3)CC2(C)C)cc1 218993816 ZRUUJSKRMLSOEA-UHFFFAOYSA-N 356.422 2.698 10 50 FFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1O 5059069 VFGNFRDHTBUVBW-UKTHLTGXSA-N 358.806 2.877 10 50 FFCA CCOC(=O)CCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 1786580 CWZPKUIQKWJCIA-RAXLEYEMSA-N 351.449 2.850 10 50 FFCA O=C(NCc1ccc(N2CCCCC2)cc1)N1CCC[C@H]1Cn1cncn1 2325727923 VXHFPHYMWXWEFZ-IBGZPJMESA-N 368.485 2.643 10 50 FFCA COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)ccc1O 978000 HDMVRUHSNFQVDW-FFXRNRBCSA-N 367.448 2.711 10 50 FFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O[C@@H](C)c1ccccc1 1191698 JOSPBWIGPZUESR-LBPRGKRZSA-N 366.373 2.585 10 50 FFCA CN(C)c1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 100557236 YVOKYPBRVIHUFV-ZACQAIPSSA-N 371.824 2.540 10 50 FFCA COc1ccccc1N1C(=O)/C(=C\Nc2ccccc2C)C(=O)NC1=S 16662464 BWIXCRKKIKGPNV-QBFSEMIESA-N 367.430 2.747 10 50 FFCA O=C([C@H]1CCOC1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 215012512 HHNRJQTUHLPUQH-IBGZPJMESA-N 366.461 2.951 10 50 FFCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 1180479 NCUTXPFCZWXANS-RVDMUPIBSA-N 369.352 2.685 10 50 FFCA O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1cccnc1 13533513 LLJRZEYWNMGHKC-JYRVWZFOSA-N 359.407 2.767 10 50 FFCA CCOc1ccc(/C=C2/SC(=S)N(CN3CCOCC3)C2=O)cc1 19853724 FGOZRXXXHYBAHC-RVDMUPIBSA-N 364.492 2.576 10 50 FFCA CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 239306131 GLROTKJDQOLWIP-XHSDSOJGSA-N 361.825 2.679 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 1192846 YFGZGXMQDUFQHG-XNTDXEJSSA-N 366.373 2.679 10 50 FFCA O=C(COc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 13645989 YLHHCSZBUISAEB-UHFFFAOYSA-N 360.841 2.872 10 50 FFCA Cc1c(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)n(C)c2ccc(F)cc12 426406105 KPJDERLDCWJPSX-OAHLLOKOSA-N 367.428 2.815 10 50 FFCA O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1CCSCC1 426648181 RVCDZCGIZDKJFF-UHFFFAOYSA-N 361.488 2.850 10 50 FFCA COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c(OC)c1 1476220 IWKOLNQWNOOBIW-MDWZMJQESA-N 367.448 2.770 10 50 FFCA CCOC(=O)c1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1 100802551 MQPIFLDFZUCYGW-UHFFFAOYSA-N 359.378 2.920 10 50 FFCA Cc1ncc2n1CCN(CC(=O)c1cc(C)n(-c3ccc(F)cn3)c1C)C2 2325771765 OHVYUSQUFWYBDR-UHFFFAOYSA-N 367.428 2.832 10 50 FFCA CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113621 YTGSRASCFRVXCX-UHFFFAOYSA-N 373.478 2.724 10 50 FFCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 1214231 YSOFHIAMTVMDPW-OVCLIPMQSA-N 364.357 2.699 10 50 FFCA Cc1cccc(N2C(=O)NC(=O)/C(=C/NCc3cccs3)C2=O)c1C 5648259 TWFBSIZFBGEFSA-UVTDQMKNSA-N 355.419 2.621 10 50 FFCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 7496935 QOYKKNVLTNSGNS-UHFFFAOYSA-N 372.421 2.801 10 50 FFCA COc1ccc(N2CCN(C(=O)CCn3nccc3C)CC2(C)C)cc1 82121871 QJTWDZSAHAXENT-UHFFFAOYSA-N 356.470 2.718 10 50 FFCA COc1ccc(OC)c(N2C(=O)/C(=C/c3cccs3)C(=O)N=C2O)c1 986661 ATGUXLPBNYPHHP-FMIVXFBMSA-N 358.375 2.636 10 50 FFCA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(N(C)C)cc1 968979 MTUSIMDRJZRGQW-MRXNPFEDSA-N 359.451 2.576 10 50 FFCA COc1ccc2nc(NC3=N[C@@H](c4ccccc4)CC(=O)N3)nc(C)c2c1 1205060 WNSKTLYAZPBULC-QGZVFWFLSA-N 361.405 2.976 10 50 FFCA Cc1n[nH]c(C)c1CCCNC1CCN(c2ccc3c(c2)OCO3)CC1 67852413 RTKMMIMRFORVKR-UHFFFAOYSA-N 356.470 2.946 10 50 FFCA CN1C(=O)C(=Cc2cccc(OCc3ccccc3F)c2)C(=O)N(C)C1=O 1024259 WMIQMNDJOFZSBJ-UHFFFAOYSA-N 368.364 2.839 10 50 FFCA CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cc3ccc(N)cc3)ccc2NC1=O 161365940 VMEXKWVMTIZWIY-PXAZEXFGSA-N 353.422 2.798 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 16309503 VHQBLFDKZDUWNW-UVTDQMKNSA-N 366.373 2.679 10 50 FFCA CN(C)c1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 101264434 YVOKYPBRVIHUFV-BRWVUGGUSA-N 371.824 2.540 10 50 FFCA O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 3952881 IPOKCKJONYRRHP-FMQUCBEESA-N 357.322 2.710 10 50 FFCA fda CN(C)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19537234 NOMNIKYOJAYTRW-UHFFFAOYSA-N 353.466 2.799 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 6238684 YMNOJXWETGGYMP-YTRUQHMWSA-N 366.420 2.905 10 50 FFCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccccn4)C3)CC2)cc1 22851627 SCHYUYOMXOUPND-NRFANRHFSA-N 366.509 2.877 10 50 FFCA CCCOc1ccc(/C=C2/SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 2315686 KBURPSTWNCYMGJ-GHRIWEEISA-N 373.478 2.610 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5381490 HQCAXLOOJFXWST-YTRUQHMWSA-N 366.420 2.905 10 50 FFCA COc1cccc([C@@H](O)CNC2CCN(c3ccc4c(c3)CCC4)CC2)n1 2356137303 JJCZPTRBCYCJNU-NRFANRHFSA-N 367.493 2.871 10 50 FFCA O=C(O)CN1C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)SC1=S 2830304 CVPLUAOCXVDQHH-MDWZMJQESA-N 366.439 2.712 10 50 FFCA C=CC(=O)Nc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 744379985 HIPYNWCNPDXABE-UHFFFAOYSA-N 351.406 2.916 10 50 FFCA COCCN1CCC(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 12707207 LRHAYJGWAQUGQJ-FQEVSTJZSA-N 362.514 2.732 10 50 FFCA Cc1cc(/N=N/c2nccs2)c(C(=O)O)cc1NCS(=O)(=O)O 101146674 ZIDGWNWSQFOYHF-FOCLMDBBSA-N 356.385 2.822 10 50 FFCA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S 1135648 KQIYJTAFFWFRAO-MHWRWJLKSA-N 371.437 2.880 10 50 FFCA CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OCC 1184626 HFWCEZSCNNPVIQ-FOWTUZBSSA-N 362.451 2.787 10 50 FFCA COc1ccc(N2CC3(CN(Cc4ccc5c(c4)OCCO5)C3)C2)cc1 2100545561 WMGOHRZJICNWDJ-UHFFFAOYSA-N 352.434 2.789 10 50 FFCA O=C1CN(c2ccc(CN=c3[nH]c(Cl)cc4ccccc34)cc2)CCN1 1875337207 QKUXQVZLMILXLY-UHFFFAOYSA-N 366.852 2.858 10 50 FFCA CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C1=O 1152205 ZTMMRJAVFIVWRU-GXDHUFHOSA-N 355.369 2.715 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 1184265 OSEHRZOLUSOCJW-DTQAZKPQSA-N 365.389 2.936 10 50 FFCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C)c(C)c3)CC2)cc1 85842848 LDIAPJSWBBATLC-HXUWFJFHSA-N 370.493 2.874 10 50 FFCA C[C@@H](CNC1CCN(c2ccc3c(c2)OCO3)CC1)Oc1cccnc1 1506400802 GKHDRWIVJLBSRR-HNNXBMFYSA-N 355.438 2.836 10 50 FFCA COc1ccc(N2CCC(N3CCCn4nc([C@@H](C)O)cc4C3)CC2)cc1 221288007 WMXYQQHIPLNHRI-MRXNPFEDSA-N 370.497 2.820 10 50 FFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)cc1 1197294 OXTNSWDNVQKYKF-OQLLNIDSSA-N 356.403 2.727 10 50 FFCA CCOc1ccc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc1 22925718 TYWFUCZKAMXABQ-FQEVSTJZSA-N 370.493 2.860 10 50 FFCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC 15836572 GZSZNUKWEVJREK-PTNGSMBKSA-N 372.421 2.888 10 50 FFCA CCOc1cccc(CN2CCC(C(=O)NCc3ccco3)CC2)c1O 15855968 GKSLLOCEZUFHPE-UHFFFAOYSA-N 358.438 2.912 10 50 FFCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(N)=O)c4ccccc34)[C@H]21 217613608 MFJYXBFXVVVVCA-NRFANRHFSA-N 374.444 2.664 10 50 FFCA biogenic CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1806878 AFKIJTNJGQPRIV-RDQDRAATSA-N 365.432 2.695 10 50 FFCA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nccs1 1220230 QHVORIFPUGROMI-FLIBITNWSA-N 361.473 2.983 10 50 FFCA CCCCN1C(=O)/C(=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21 12729934 TYVYEMOEGXTVQB-NXVVXOECSA-N 371.462 2.506 10 50 FFCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 1185900 HNIAQKUEHGCOQI-KPKJPENVSA-N 360.728 2.851 10 50 FFCA COc1ccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1 13135225 QUVVUCWFWQCQBG-UHFFFAOYSA-N 366.461 2.912 10 50 FFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C=C(C)C)C3)CC2)cc1 55271453 JEADFBYWBQJUBV-LJQANCHMSA-N 357.498 2.774 10 50 FFCA COC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1766258 UTRWIKJBMSQPCT-POHAHGRESA-N 372.265 2.823 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)Cn4ccc5ccccc54)C3)C2)cc1 2100537465 NUNMJZMVANAXAW-UHFFFAOYSA-N 361.445 2.999 10 50 FFCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc2c(c1)OCO2 1090821 HMTMYCCYVGUWKG-NVNXTCNLSA-N 367.357 2.881 10 50 FFCA Oc1ccc(C2(CNC[C@H](O)COc3ccccc3)CCCC2)cc1O 22589339 HMMSSCFHAFOLSO-KRWDZBQOSA-N 357.450 2.939 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCO4)[C@H](C)C2)cc1 72478290 JUVPWOFMRKORFX-OAHLLOKOSA-N 352.434 2.981 10 50 FFCA COc1ccc(N2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1704297783 FEJVPJUKIBLCFH-XMSQKQJNSA-N 367.493 2.906 10 50 FFCA CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)CC1 19787331 VSMLQNUBARVEKK-UHFFFAOYSA-N 350.418 2.913 10 50 FFCA biogenic CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 12796908 NYXKHLIHQFNBQL-BENRWUELSA-N 374.491 2.738 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 2842361 RTKUJRGLJZNIQX-UHFFFAOYSA-N 356.422 2.675 10 50 FFCA O=C1c2ccccc2C(=O)c2c1c(O)cc1c2-c2ccccc2S1(=O)=O 1848444188 SXKCBMQASAVDJP-UHFFFAOYSA-N 362.362 2.981 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 106721057 JZOLRQGWHDQGGX-INIZCTEOSA-N 362.495 2.531 10 50 FFCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cccc(O)c1 2837432 PSYSCVNDSMOHOI-ZROIWOOFSA-N 357.753 2.624 10 50 FFCA Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@]3(O)CCO[C@@H]3C)c2C)c1 252491719 LRLKAUODOUZFFF-DYESRHJHSA-N 356.466 2.981 10 50 FFCA COc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1OC 71775340 RDBBNRSBQWKOHL-UHFFFAOYSA-N 352.394 2.783 10 50 FFCA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S 5814018 SOXZZAZQUQZHJV-MFYHJKBNSA-N 370.455 2.979 10 50 FFCA CC(=O)N(C(C)=O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 4106690 JGEFVPMVNLYHAB-GHXNOFRVSA-N 354.840 2.851 10 50 FFCA CCOc1cc(N2CCN(CCOC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC 225559311 HDKGCGVCIDEPCX-AWEZNQCLSA-N 367.446 2.549 10 50 FFCA C=CC(=O)NCCC(=O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1 2325888041 SOSIQJUPSRFURQ-UHFFFAOYSA-N 363.820 2.548 10 50 FFCA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4457058 GRGFUEOYQKBHAY-RVDMUPIBSA-N 360.435 2.886 10 50 FFCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4c[nH]c(C)n4)C3)CC2)cc1 20452218 RCKNHIOCNSZBGA-HXUWFJFHSA-N 369.513 2.513 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)CCc4c(C)noc4C)C3)C2)cc1 2100534522 MGZHNRDUQCNYFI-UHFFFAOYSA-N 355.438 2.581 10 50 FFCA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3O)C2)cc1 6729507 YFDRWMZASDIWNE-QGZVFWFLSA-N 368.389 2.943 10 50 FFCA COc1nc(C)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C 159344455 KWMFXWMODOQBPB-UHFFFAOYSA-N 360.433 2.814 10 50 FFCA COc1cccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c1O 22926237 RQJAYPXPAHPQFN-IBGZPJMESA-N 362.514 2.850 10 50 FFCA CCN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(CC)C1=S 206629001 JBLJBMIMRNXFHG-BQYQJAHWSA-N 357.479 2.688 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 6703721 FTBNJAUHNOLNCT-UHFFFAOYSA-N 353.422 2.616 10 50 FFCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCOCC1 13398582 LNAPOSKNJPCHNY-LCYFTJDESA-N 354.884 2.831 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCCC3)C2=O)cc1OC 16183824 ZPJGRZVJWRFQLM-PTNGSMBKSA-N 372.421 2.888 10 50 FFCA CCc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 15722887 YSEZCPMXOQNXAR-ATVHPVEESA-N 350.374 2.924 10 50 FFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CO[C@@H]6CCN2[C@H]1[C@@H]6[C@H]5C[C@H]43 247955625 ODSKQEUFTBWNLH-PJVXQWENSA-N 366.461 2.541 10 50 FFCA Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 30873575 SABFDMDCOHQELP-KRWDZBQOSA-N 354.450 2.915 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cn4ccc(Cl)cc4n3)CC2)cc1 11866166 PGAWXGQTJLMDEL-UHFFFAOYSA-N 370.840 2.959 10 50 FFCA O=C(NCCNC1CCN(c2ccc3c(c2)CCC3)CC1)c1cccnc1 1506399585 ARMNNUPZDRDSJN-UHFFFAOYSA-N 364.493 2.559 10 50 FFCA O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 7991402 RPCJBPJVTPVNQM-FMKPAKJESA-N 372.808 2.681 10 50 FFCA Cn1c(O)nc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc21 920286673 OOOVWLJAUCALRI-UHFFFAOYSA-N 350.422 2.809 10 50 FFCA O=C(O)CCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 1916932 KGSCKRDJVKGYIN-DHZHZOJOSA-N 352.393 2.661 10 50 FFCA COc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c([N+](=O)[O-])c1 2302437 OCCFRVAXCPAFEC-UHFFFAOYSA-N 373.346 2.618 10 50 FFCA CNC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 299739492 PDVIDWRVQBJRMB-INIZCTEOSA-N 369.465 2.547 10 50 FFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(N(C)C)cc2)C1=O 5593440 SGCDLXXXDQWJEQ-VBKFSLOCSA-N 364.405 2.640 10 50 FFCA COc1ccc(N2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1 55543665 NYIOWTJACMURKZ-UHFFFAOYSA-N 358.438 2.740 10 50 FFCA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 1152518 YHBLQKUCAYAHRQ-NTEUORMPSA-N 371.418 2.698 10 50 FFCA O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2282296 BVPMTVKZFDNRBK-WBOGTDJTSA-N 373.908 2.728 10 50 FFCA CN1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)CC1 49740640 WFBFKPMUXXBIBV-UHFFFAOYSA-N 357.885 2.951 10 50 FFCA COc1ccc(O)c(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 22853002 HOYAEFISFNIJMQ-HXUWFJFHSA-N 370.493 2.512 10 50 FFCA CCN1C(=O)/C(=C2\SC(=S)NC2=O)c2cc(Br)ccc21 16730312 SUGDYLSBSCUVMJ-KTKRTIGZSA-N 369.265 2.675 10 50 FFCA COc1ccc(N2CCN(c3ncc4c(n3)C[C@H](C)CC4=O)CC2)cc1 19957305 JOOSWAKYPKNSGA-AWEZNQCLSA-N 352.438 2.577 10 50 FFCA CN1CCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)CC1 19790515 PWHQXMQJSMBRMC-RAXLEYEMSA-N 366.284 2.667 10 50 FFCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 4322648 PPGDBDIMGZEDKQ-AUKFAXFOSA-N 365.501 2.631 10 50 FFCA CCN1C(=O)/C(=C/c2c(NC(C)C)nc3ccccn3c2=O)SC1=S 1302256 OWXSBDVBKXYSDO-XFXZXTDPSA-N 374.491 2.736 10 50 FFCA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(c2ccc3c(c2)CCC3)CC1 1875261412 ZGKBIGFBGUODQF-OAQYLSRUSA-N 369.509 2.519 10 50 FFCA CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 1176023 ZCYXAYBZDZMADP-UHFFFAOYSA-N 352.346 2.583 10 50 FFCA CCOc1cccc(CN2CCC(C(=O)NCc3ccccn3)CC2)c1O 6350715 JQVCBBVZICWPSB-UHFFFAOYSA-N 369.465 2.714 10 50 FFCA Cc1nonc1CN(C)C(=O)NCCc1c(C)n2c3c(cccc13)CCC2 426597336 AWJGIQQGQWJOII-UHFFFAOYSA-N 367.453 2.971 10 50 FFCA COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)c1 2074869 FLRGNXMHYGMGRB-MHWRWJLKSA-N 361.357 2.843 10 50 FFCA C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1cccc([N+](=O)[O-])c1 2700369 NOFJATKPGOUODH-WQLSENKSSA-N 352.393 2.661 10 50 FFCA CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 966729 MGQXIIBLTNLNMI-BNDQCTAISA-N 365.432 2.870 10 50 FFCA CC12CCC(CC1)N2C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1875289119 TYXLPOCLVKMNFA-AFJQURTJSA-N 370.497 2.615 10 50 FFCA Cc1cc(OC(F)F)ccc1NS(=O)(=O)c1cccc2nonc12 6502350 ANWKNJQHMBQSSB-UHFFFAOYSA-N 355.322 2.933 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)COCc4ccccc4)C3)C2)cc1 2100480701 QUGHFHGYUWKJMX-UHFFFAOYSA-N 352.434 2.561 10 50 FFCA Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 10113451 YODVVHBKPDMYOT-QGZVFWFLSA-N 354.450 2.915 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)c1 843343 DBBKYKMXMJFPCC-GZTJUZNOSA-N 350.374 2.978 10 50 FFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 18285406 PCWXBCDAVXXNPD-UHFFFAOYSA-N 372.833 2.833 10 50 FFCA CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1OC 967010 VYIZULHTDXUVGN-UKTHLTGXSA-N 367.448 2.770 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3OC)CC2)cc1 7380949 BSDMZFNUASWCKQ-INIZCTEOSA-N 370.449 2.820 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccccc3NC(C)=O)CC2)cc1 6702704 OZMTYQZBGSNWTB-UHFFFAOYSA-N 353.422 2.616 10 50 FFCA COc1ccc(N2CCN(C(=O)CCn3cc(Cl)cn3)[C@@H](C)C2)cc1 72435121 KMZMTEIHKOQBFF-AWEZNQCLSA-N 362.861 2.673 10 50 FFCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1 1196179 WXPJUTARGLMYMA-UHFFFAOYSA-N 367.317 2.764 10 50 FFCA NC(=O)CCCn1cc(-n2ccnc2-c2ccc(N3CCCC3)cc2)cn1 1857685917 ZTXMYBKZPZCCGA-UHFFFAOYSA-N 364.453 2.602 10 50 FFCA O=C(O)CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S 2897439 BWPWULDRWQFRMW-RUDMXATFSA-N 358.784 2.534 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3OC)CC2)cc1 7380967 BSDMZFNUASWCKQ-MRXNPFEDSA-N 370.449 2.820 10 50 FFCA COc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])cc(OC)c2O)CC1 4980278 NCGRNHDQFACPMF-UHFFFAOYSA-N 373.409 2.640 10 50 FFCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/Nc3cccc(O)c3)C2=O)c(C)c1 100704439 UQEJDFQRKDCAPA-YBEGLDIGSA-N 365.389 2.896 10 50 FFCA OC[C@@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)OCO3)CC1 1506414165 OWIHZKTUZWUMCO-GOSISDBHSA-N 354.450 2.577 10 50 FFCA COc1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1OC 1225842 HYPRUHBRBDARAD-PTNGSMBKSA-N 366.373 2.712 10 50 FFCA CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 5960798 JTMHWUQRWYGWFD-ZTFCMROMSA-N 367.448 2.768 10 50 FFCA Cc1cc(C)cc(N2CCN(Cc3ccc(O)c(CN(C)C)c3)CC2=O)c1 72153470 IHLFFXSHGMMGJU-UHFFFAOYSA-N 367.493 2.919 10 50 FFCA N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(c3ccco3)=NN12 1164082 OKAFTULHFHXHNQ-VUPRQACXSA-N 366.358 2.676 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(OC)c1 1195891 XKYWRUAWEOZAKH-XNTDXEJSSA-N 368.414 2.535 10 50 FFCA CCOc1cccc(N2C(=O)/C(=C/c3ccccc3)C(=O)NC2=S)c1 1203483 UCZRKHXWVURVQW-LFIBNONCSA-N 352.415 2.917 10 50 FFCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1786464 GUDOSHXDNHLWRU-LCFDYFRESA-N 369.489 2.800 10 50 FFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 766540 NZBRMBDSQWNCBN-NTEUORMPSA-N 358.806 2.877 10 50 FFCA CC1=CC(O)=C2N(CC(=O)N=NC=C3C(C)=Nc4ccccc43)N=CN2N1 1857666346 OQXBSOZORQLDDN-UHFFFAOYSA-N 363.381 2.822 10 50 FFCA CN1CCN(c2ccc(CNC(=O)COc3ccccc3Cl)cc2)CC1 65364350 GTJGUDUZIZHKRL-UHFFFAOYSA-N 373.884 2.787 10 50 FFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 2892695 ZQVCPHRNMNHUND-ZROIWOOFSA-N 359.357 2.709 10 50 FFCA O=C(NCCCn1ccnc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4626185 UOFJMWAQXXZZCL-UHFFFAOYSA-N 362.393 2.544 10 50 FFCA CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Cl 1163088 HUFBUXCFFOPVMY-SNVBAGLBSA-N 350.802 2.951 10 50 FFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1 1184273 YUWRULSSEHDKOB-UHFFFAOYSA-N 353.447 2.693 10 50 FFCA CC(C)(C)c1cccc(CN2CCC(C(=O)N3CCOCC3)CC2)c1O 67755484 GMMKSCOBXOKAJG-UHFFFAOYSA-N 360.498 2.761 10 50 FFCA CSc1ncc(/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cn1 15856663 PUCHNBHAFDAMFE-ZROIWOOFSA-N 372.450 2.551 10 50 FFCA COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1208567 SFYAGEVJBPCZQY-XFXZXTDPSA-N 365.432 2.539 10 50 FFCA CC(C)(C)NC[C@H](O)COc1cccc2c1C(=O)c1ccccc1C2=O 96028114 GBTWAPVFXUKHOI-ZDUSSCGKSA-N 353.418 2.590 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 1192411 FMJDMKLUBPUYDL-NBVRZTHBSA-N 361.401 2.953 10 50 FFCA COc1ccc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1 55062638 UAHULEMHYSHEIT-UHFFFAOYSA-N 373.884 2.787 10 50 FFCA Cc1cc(C)n(C2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)n1 1506420337 CWQFDLZNXGKCTM-UHFFFAOYSA-N 354.454 2.754 10 50 FFCA CCOc1cc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1O 4754828 WAZRDVHQZAAHNT-HELSFGJNSA-N 362.451 2.870 10 50 FFCA Cc1c[nH]ccc1=NCCNC1CCN(c2ccc3c(c2)CCC3)CC1 825253693 UPDDEFRRGKGIPK-UHFFFAOYSA-N 350.510 2.971 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1213267 LPYQKLLCNZMFBW-TZQNSNDFSA-N 365.432 2.726 10 50 FFCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 912509 PFNRRKPZQREFEY-UHFFFAOYSA-N 366.870 2.860 10 50 FFCA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccccc1 100077554 OILFJMYLWASPJD-ZDBRSUKYSA-N 358.379 2.808 10 50 FFCA COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C)cc2)C1=O 15800118 CAJFPSNYHPIJCW-SDNWHVSQSA-N 351.362 2.582 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1 22919039 LIAMVZOFBZKLKU-FQEVSTJZSA-N 370.493 2.778 10 50 FFCA CCN1C(=O)/C(=C/c2cn(CC(C)C)c3ccccc23)C(=O)NC1=S 2830407 GDWYJGGKWGHXHS-OQLLNIDSSA-N 355.463 2.944 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 15659270 ZYSCZVQIXITRLS-YBEGLDIGSA-N 366.373 2.679 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 1054636 VJRVRNWSMDCPBS-UHFFFAOYSA-N 355.394 2.874 10 50 FFCA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCO4)[C@@H](C)C2)cc1 72478291 JUVPWOFMRKORFX-HNNXBMFYSA-N 352.434 2.981 10 50 FFCA Cc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1 2892756 ZFTZIPNQWORGPG-GDNBJRDFSA-N 355.394 2.878 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C 1214325 MKMDDHUNZXKJQT-LFIBNONCSA-N 350.374 2.978 10 50 FFCA CCOC(=O)[C@]12O[C@]1(c1ccc(CC)cc1)C(=O)c1ccccc1C2=O 100555922 PTOMMMVVCKNMMJ-RTWAWAEBSA-N 350.370 2.856 10 50 FFCA O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccncc1 33343876 FLAADWAHAGTKBT-UKTHLTGXSA-N 359.407 2.767 10 50 FFCA CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1)n1cccn1 92078616 FLBMXYIGVYFZQW-SFHVURJKSA-N 356.470 2.970 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(Cl)c3)C2=O)cc1 100345459 NNKQLSYFAASCCM-GDNBJRDFSA-N 371.780 2.927 10 50 FFCA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1O 625749 YZWYLKSXEJBAJF-KRWDZBQOSA-N 353.378 2.667 10 50 FFCA COc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1O 58059921 PNMNNUSWDIXADU-GDNBJRDFSA-N 352.346 2.905 10 50 FFCA Oc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1cccn1-c1ncccn1 67803890 ZZELARHTJOGBPD-HXUWFJFHSA-N 372.432 2.844 10 50 FFCA COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1OC 13785453 KHGWKLJOCHPIIP-HXUWFJFHSA-N 371.482 2.875 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c(O)c1 105904091 UPLKJQQIVSNXDX-SFHVURJKSA-N 374.456 2.609 10 50 FFCA CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(C)C1=S 1172830 FODLRYBLNCNVIH-UHFFFAOYSA-N 366.442 2.864 10 50 FFCA COc1ccc(N2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 54172796 VJSQMSGNPOCXEW-QGZVFWFLSA-N 365.477 2.795 10 50 FFCA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)cc2)cn1 328636826 OGSFSAMJYDYRMA-LEWJYISDSA-N 370.497 2.750 10 50 FFCA O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1n[nH]c2c1CCCCC2 190386016 DGHHGUCRNHNNQW-UHFFFAOYSA-N 372.444 2.584 10 50 FFCA COCCN1C[C@@H]2CC[C@H]1CN(C1CCN(c3ccc(OC)cc3)CC1)C2 248138402 OIXPAHFANYXUNU-RXVVDRJESA-N 373.541 2.707 10 50 FFCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN[C@H]1CN2CCC1CC2 20254584 VYDYLXWIOHVJRQ-SFHVURJKSA-N 352.434 2.972 10 50 FFCA COc1ccc(-c2csc(NC=C3C(=O)OC(C)(C)OC3=O)n2)cc1 643581 AXWYMYMINDUAOY-UHFFFAOYSA-N 360.391 2.951 10 50 FFCA O=C(NCc1ccc(O)cc1O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 91893784 KZOJOGBYUMETOJ-INIZCTEOSA-N 360.454 2.533 10 50 FFCA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 6714301 KZYUOKMBMDKCQQ-UHFFFAOYSA-N 360.479 2.769 10 50 FFCA O=S(=O)(Nc1cccc(Br)c1)c1cccc2nonc12 6502385 DUGXFCHNSKIPBR-UHFFFAOYSA-N 354.185 2.786 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 2958287 ZVPRDFDOMJFREM-GZTJUZNOSA-N 350.374 2.978 10 50 FFCA CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 15823101 BYCINVXTVHNUME-VBKFSLOCSA-N 352.415 2.917 10 50 FFCA COc1ccc(N2CCOCC2)c(NC(=O)COc2cccc(C)c2)c1 6715860 HVVAWMIJZRVMBN-UHFFFAOYSA-N 356.422 2.858 10 50 FFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)o2)C1=O 5101226 DBUUXPJIHDEXEH-NTCAYCPXSA-N 365.389 2.855 10 50 FFCA CC(C)(C)c1cc(C=C2C(=O)NC(=S)NC2=O)cc(C(C)(C)C)c1O 4672680 NMYXWYUOOVSKIF-UHFFFAOYSA-N 360.479 2.902 10 50 FFCA Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 54285086 MOOIPWZCSKFQPL-UHFFFAOYSA-N 354.450 2.835 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)cc1C 104371238 DWYWECVZSAFVLH-HXUWFJFHSA-N 370.493 2.778 10 50 FFCA CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(O)c(OC)c2)C1=O 4724560 KGJSIAOJDBAHDX-UVTDQMKNSA-N 366.373 2.630 10 50 FFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1F 16662480 PAHNFAKXYNGJSV-XFXZXTDPSA-N 359.357 2.709 10 50 FFCA COc1ccc(N2CCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 6901799 AYSDTCMOTRXVHZ-UHFFFAOYSA-N 355.438 2.915 10 50 FFCA O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(F)c2)C(=O)N1 1175724 UIHRVJDKMNGOBS-UHFFFAOYSA-N 374.755 2.808 10 50 FFCA NC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 6858658 UHWUSNOJEOPTEH-UHFFFAOYSA-N 354.428 2.666 10 50 FFCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\N(C)C)cc1 32645649 NCOLKDNNJMJERS-ATVHPVEESA-N 366.377 2.800 10 50 FFCA Cn1nnc2cc(-n3ccnc3-c3ccc(N4CCOCC4)cc3)ccc21 1775976494 APWGHPBYPSOCOE-UHFFFAOYSA-N 360.421 2.658 10 50 FFCA C[C@H]1CCCCN1C1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 65470755 VAZVLCXSRZOWHO-INIZCTEOSA-N 357.498 2.943 10 50 FFCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccco1 5067778 RNUHOCBGZSFLBT-XYOKQWHBSA-N 361.151 2.709 10 50 FFCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 5789472 JGMVYZPHPPNLGF-RIYZIHGNSA-N 356.359 2.751 10 50 FFCA CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nnnn1-c1ccccc1 100524065 WLJHNHDMNZRFIM-OAHLLOKOSA-N 350.407 2.546 10 50 FFCA COc1cccc([C@H](O)CNC2CCN(c3ccc4c(c3)CCC4)CC2)n1 2356137304 JJCZPTRBCYCJNU-OAQYLSRUSA-N 367.493 2.871 10 50 FFCA COCCn1c(C)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1C 2313388 NFBGVSSPSPZRLC-MHWRWJLKSA-N 371.393 2.847 10 50 FFCA CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1)n1cccn1 92078618 FLBMXYIGVYFZQW-GOSISDBHSA-N 356.470 2.970 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3)C2=O)cc1 100241408 PFXLUAFUTQTGTN-LFIBNONCSA-N 369.352 2.803 10 50 FFCA CC[C@@H](CO)NCc1cc(Br)cc(Br)c1O 132567964 JJOHGQQCXYMVFN-VIFPVBQESA-N 353.054 2.778 10 50 FFCA CCCCNC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 55307348 MKDLDOTULXFGFE-LJQANCHMSA-N 374.529 2.791 10 50 FFCA COCc1nn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)c(=O)o1 164465259 XTINOIDWMUTTIS-UHFFFAOYSA-N 355.394 2.582 10 50 FFCA O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 104288260 RPCJBPJVTPVNQM-LZWOXQAQSA-N 372.808 2.681 10 50 FFCA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1c(O)ccc2c1CCCC2 830597976 XKSUNTVPGZDVAQ-IBGZPJMESA-N 363.461 2.939 10 50 FFCA Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)NC2=S)cc1 4825216 VBXASWUMDTVHOY-WQLSENKSSA-N 373.415 2.796 10 50 FFCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1S(=O)(=O)O 100244820 MPYKTAKYPNUACE-HEWTWTGNSA-N 358.379 2.808 10 50 FFCA CCN(CC)CCNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623063 CZTSTLYORARMEM-UHFFFAOYSA-N 353.426 2.599 10 50 FFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)CC1 4754864 RVBSBSGSHNADCP-RVDMUPIBSA-N 360.435 2.638 10 50 FFCA COc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)c(O)c1 39490447 MYQIISODMHBLBK-MRXNPFEDSA-N 362.495 2.531 10 50 FFCA Nc1ccc(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1 1704352360 DUYQIQGMRJAWAQ-UTKZUKDTSA-N 361.445 2.733 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/NCCCC(C)C)C2=O)cc1 22781384 ZSYZETVMJHXKEV-VBKFSLOCSA-N 359.426 2.578 10 50 FFCA CCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 692528 PALGJGDFETVZQU-UHFFFAOYSA-N 352.346 2.643 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c(O)c1 39552301 UPLKJQQIVSNXDX-GOSISDBHSA-N 374.456 2.609 10 50 FFCA O=C(O)CCN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S 1811639 XGFYMHNHUOAPHS-GYRQOCMCSA-N 364.404 2.827 10 50 FFCA COc1ccc(N2CCC(N3CCCn4nc([C@H](C)O)cc4C3)CC2)cc1 221287952 WMXYQQHIPLNHRI-INIZCTEOSA-N 370.497 2.820 10 50 FFCA COc1cccc(-c2ccc(O)c(CNCCCN3CCCC3=O)c2)n1 299784451 ONWHAGIJWBQDBH-UHFFFAOYSA-N 355.438 2.565 10 50 FFCA Cc1cc(O)c(O)cc1C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 1875321698 RKHFFQAEBOPVKE-UHFFFAOYSA-N 365.433 2.846 10 50 FFCA CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 2902487 VQLVLTUGTJAVKO-RAXLEYEMSA-N 351.449 2.850 10 50 FFCA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 1181852 XTIAERWYDGPRBL-WUXMJOGZSA-N 360.728 2.851 10 50 FFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OC)c1 15835768 CSHOXPAZXUQLHP-LCYFTJDESA-N 370.336 2.509 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1c[nH]nc1-c1ccccc1 2049286266 YSSTXNAOMMMIKU-UHFFFAOYSA-N 358.357 2.743 10 50 FFCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\NCc1ccccc1F 2892660 DBNTWZZNDOTVNA-BENRWUELSA-N 373.771 2.736 10 50 FFCA O=C(O)c1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1O 757653839 DJGKTTKIKAWXTF-UHFFFAOYSA-N 350.377 2.501 10 50 FFCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCC[C@@H](C(N)=O)C3)c2)c1 20820406 YDSBHNYKEUXATI-OAHLLOKOSA-N 370.449 2.774 10 50 FFCA COc1cccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)c1O 39445134 RQJAYPXPAHPQFN-LJQANCHMSA-N 362.514 2.850 10 50 FFCA O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1cccnc1 1107745 RIWJJRANLSUCRL-JYRVWZFOSA-N 359.407 2.767 10 50 FFCA COc1cc(-c2nc(COc3cccnc3N)c(C)o2)cc2c1OCO2 67691978 HMCLCLYYMKMTKN-UHFFFAOYSA-N 355.350 2.944 10 50 FFCA CCOC(=O)[C@]12O[C@@]1(c1ccc(CC)cc1)C(=O)c1ccccc1C2=O 5022950 PTOMMMVVCKNMMJ-SFTDATJTSA-N 350.370 2.856 10 50 FFCA O=C(COc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 54285235 PEJJNDSPFYZAJB-UHFFFAOYSA-N 360.841 2.872 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1 257372085 SAXXKEWBDYUOQG-SFHVURJKSA-N 374.456 2.609 10 50 FFCA O=C(NC1=NN(c2ccc(Cl)cc2)C(=O)C1)c1cccc([N+](=O)[O-])c1 5714359 LVJUPCSXWKDVML-UHFFFAOYSA-N 358.741 2.728 10 50 FFCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccncc2)SC1=S 4468037 ZFIIMFBWPFOYHH-GXDHUFHOSA-N 355.444 2.936 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 20600592 PRGKVWXQUZKEAZ-IBGZPJMESA-N 374.456 2.609 10 50 FFCA CCCCC1(C)OC(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)O1 1890667 PLHAZWHZLVWQBH-UHFFFAOYSA-N 363.322 2.713 10 50 FFCA CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O 13108114 VQEMYDVBZOWFAX-ZSOIEALJSA-N 358.781 2.906 10 50 FFCA COc1ccccc1N1C(=O)/C(=C\c2ccc(C)s2)C(=O)NC1=S 1184742 NRSCSYUTGSZEIY-XFXZXTDPSA-N 358.444 2.896 10 50 FFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 1197369 QLPLVLPWRHBOTQ-HYZSBJHASA-N 362.385 2.913 10 50 FFCA CCN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(CC)C1=S 1139727 IIPUOUJEJQNUBW-UHFFFAOYSA-N 357.479 2.666 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1 5953630 GPANKMZHUNHTJZ-ATVHPVEESA-N 366.373 2.760 10 50 FFCA COc1ccc(N2CCN(C(=O)Nc3nc(C)ns3)CC2(C)C)cc1 55371349 ZYDJSGAOYWIQSR-UHFFFAOYSA-N 361.471 2.988 10 50 FFCA COc1ccc(N2CCN(C(=O)c3csc(CN(C)C)n3)[C@H](C)C2)cc1 72457442 QDZHTGGGWKVWBX-CQSZACIVSA-N 374.510 2.564 10 50 FFCA COc1ccc(N2CCN(C(=O)C3(Cn4cccn4)CC3)CC2(C)C)cc1 91494031 CXJBNYLUEKQPQO-UHFFFAOYSA-N 368.481 2.799 10 50 FFCA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccc2c(c1)CCN2C 886079980 OMFWTDOOQNWLMX-NQIIRXRSSA-N 354.498 2.897 10 50 FFCA O=C1N=C(O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1 1215420 NIVJFRXBWFQANK-UHFFFAOYSA-N 367.317 2.764 10 50 FFCA Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 68462517 FQISAPCALQRNBH-INIZCTEOSA-N 360.479 2.871 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5838410 LPYQKLLCNZMFBW-XEVNVYFWSA-N 365.432 2.726 10 50 FFCA O=C1C=C(O)C[C@@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)N1 936069145 HKRXSGKREFTPSK-LJQANCHMSA-N 356.447 2.790 10 50 FFCA O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(N2CCOCC2)cc1 54284700 KTKLSWWHLVIJJG-UHFFFAOYSA-N 368.433 2.501 10 50 FFCA Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N=C2O)c1C 20034884 JYGJUZCGJWQTKR-UHFFFAOYSA-N 367.361 2.690 10 50 FFCA COc1ccc(N2CCC(N3CCC(CN(C)C)(OC)CC3)CC2)cc1 2356137860 CIGAMHDZLXPYIQ-UHFFFAOYSA-N 361.530 2.707 10 50 FFCA CC1=C(C(=O)Oc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2O)NC(=O)N1 22018066 DXMIOKHPKNUKEP-INIZCTEOSA-N 369.333 2.534 10 50 FFCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(C)cc3)CC2)cc1 20724993 ZRZVQTKZLDCQLH-IBGZPJMESA-N 356.466 2.566 10 50 FFCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13562191 BVPMTVKZFDNRBK-ZWIPKHHJSA-N 373.908 2.728 10 50 FFCA COc1cccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)NC2=S)c1 1197568 IXSCPKYVULGTPG-NTEUORMPSA-N 358.444 2.896 10 50 FFCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1OC 13382172 VYIZULHTDXUVGN-LCYFTJDESA-N 367.448 2.770 10 50 FFCA O=C(CCCOc1ccccc1)NCc1ccc(N2CCOCC2)cc1 13649195 GALMXPXKARBIJL-UHFFFAOYSA-N 354.450 2.999 10 50 FFCA CC(=O)N1CCN(c2ccc(CNC3CC(c4cccnc4)C3)cc2)CC1 2325799320 MZDAHWDXSGNJSR-UHFFFAOYSA-N 364.493 2.786 10 50 FFCA CCN(C(C)=O)c1nc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1 205710249 OZNPZAREBFDTOK-UKTHLTGXSA-N 364.496 2.972 10 50 FFCA Cc1ccc(N2NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1Cl 4839144 YZUNUSTVZQWTGF-MLPAPPSSSA-N 356.765 2.839 10 50 FFCA COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccccc2Cl)C1=O 17086494 DVLWXSZTFFYVKL-KHPPLWFESA-N 371.780 2.927 10 50 FFCA Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 1178489 SJYKAVWSVREAIA-OVCLIPMQSA-N 368.349 2.934 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 1170519 CEOMZUDEQWDHMB-MDWZMJQESA-N 372.764 2.721 10 50 FFCA COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 4687743 IDRMDJAVYJPFEJ-RVDMUPIBSA-N 360.435 2.886 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 6833154 YMNOJXWETGGYMP-VNKGSWCUSA-N 366.420 2.905 10 50 FFCA CC(=O)N1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 1155373 FPKNSXGEEVPNML-UHFFFAOYSA-N 359.407 2.694 10 50 FFCA O=C(c1cccc(O)c1O)N1CCC([C@@H](O)CCc2ccccc2)CC1 77524369 CELAFUHSAYQDRU-SFHVURJKSA-N 355.434 2.944 10 50 FFCA Cc1ccccc1NC(=O)CNC1CCN(c2ccc3c(c2)OCO3)CC1 67696206 LPEPEJDYGUXWFC-UHFFFAOYSA-N 367.449 2.921 10 50 FFCA COc1ccc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc1C 20599944 DWYWECVZSAFVLH-FQEVSTJZSA-N 370.493 2.778 10 50 FFCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 16694589 SDTALAAOTIVAGO-CHHVJCJISA-N 350.330 2.920 10 50 FFCA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccccc1Cl 1086678 WXGSUMNICKRTTE-UHFFFAOYSA-N 372.833 2.833 10 50 FFCA COc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c(O)c1 22851175 QQTFAAVWFYDZSH-HXUWFJFHSA-N 370.493 2.512 10 50 FFCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1OC 15010770 VZQNNVNXDKECQL-UVTDQMKNSA-N 353.465 2.942 10 50 FFCA COc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c(OC)c1 20605921 YAILXFUFRFCLQB-PPCFUKRJSA-N 362.451 2.783 10 50 FFCA Cc1[nH]cnc1CSCCNC(=O)c1cc(-c2ccccc2F)n[nH]1 91593751 DLHDVLQIPWOSEH-UHFFFAOYSA-N 359.430 2.911 10 50 FFCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(C)c(C)c3)CC2)cc1 85842849 LDIAPJSWBBATLC-FQEVSTJZSA-N 370.493 2.874 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2(C)C)cc1 82125845 XPVYVLQDBMDHQL-INIZCTEOSA-N 356.470 2.655 10 50 FFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 1219400 CTEDAORQYWZERK-XYOKQWHBSA-N 358.806 2.877 10 50 FFCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O 2854858 WQIMGUOJOXJDLG-XNTDXEJSSA-N 366.373 2.766 10 50 FFCA CN(Cc1nc(C2CC2)no1)C1CCN(c2ccc3c(c2)OCO3)CC1 65455264 GYDLFXRUUJIHIZ-UHFFFAOYSA-N 356.426 2.777 10 50 FFCA COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 65365096 OFYBEQXLFAEWKT-UHFFFAOYSA-N 364.442 2.913 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC)c1 1225743 GFJGLMFVQZVQRJ-XNTDXEJSSA-N 366.373 2.679 10 50 FFCA COCc1cc(=O)n(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cn1 121567650 DETRBTSXSCGQAY-UHFFFAOYSA-N 369.396 2.819 10 50 FFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)o3)C2=O)cc1 1185881 PZDASWKDRUARGT-FOWTUZBSSA-N 365.389 2.855 10 50 FFCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccco1 8112671 GEGVVFXOWNIEEO-MDWZMJQESA-N 361.400 2.996 10 50 FFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(O)c1 1198673 HLYPUAZRZACUNS-NTEUORMPSA-N 358.806 2.877 10 50 FFCA CN(C)c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1[N+](=O)[O-] 5285577 JZTDZMHBQGTOOS-HWKANZROSA-N 354.288 2.933 10 50 FFCA COc1c[nH]c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1=O 97217552 DHMVXMKHZZNWNN-CQSZACIVSA-N 355.438 2.550 10 50 FFCA Cc1c(CCNC(=O)N2CC[C@@H](N(C)C)C2)c2cccc3c2n1CCC3 426632954 WVAJKTJMFDVCPE-QGZVFWFLSA-N 354.498 2.784 10 50 FFCA O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565528761 XELBOUNTDNRBAX-WBVHZDCISA-N 370.424 2.974 10 50 FFCA CCc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 54285079 HMSGCQTUNHPWSU-UHFFFAOYSA-N 354.450 2.781 10 50 FFCA CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br 13940704 SEYJIGAIYJNVLJ-GHXNOFRVSA-N 369.240 2.954 10 50 FFCA COc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)cc1 55060341 LUQTVROGIOLYKE-QGZVFWFLSA-N 353.466 2.695 10 50 FFCA COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccco1 5799058 KIKMSKYEKCTLFB-AQTBWJFISA-N 353.378 2.609 10 50 FFCA COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 1066955 ZMGYDUYQWSKLHP-RVDMUPIBSA-N 366.373 2.679 10 50 FFCA COc1ccc(N2CCN(Cc3nc(N)c4cc(C)ccc4n3)CC2)cc1 32503286 MVUDZNAFKGMANG-UHFFFAOYSA-N 363.465 2.851 10 50 FFCA COc1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 4881741 OKVWZJBNIRJTPE-UHFFFAOYSA-N 356.382 2.958 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C 1130074 BQFFFTUKFKVTBU-OQLLNIDSSA-N 371.824 2.957 10 50 FFCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1155812 ONSWWEYRXJCPJJ-BOPFTXTBSA-N 368.364 2.886 10 50 FFCA Cc1cc(/C=C2\C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 15723095 GTJODDGEZASBKB-DHDCSXOGSA-N 368.349 2.934 10 50 FFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 1195350 JWYASFJYEAXERS-SFQUDFHCSA-N 365.458 2.892 10 50 FFCA Cc1cc(=O)oc2c(CN[C@@H](Cc3ccccc3)C(=O)O)c(O)ccc12 1518796 MRUNGDSDRLASQM-INIZCTEOSA-N 353.374 2.593 10 50 FFCA biogenic O=c1cc(-c2cn(Cc3ccc(CO)cc3)nn2)c2cccc3c2n1CCC3 91831069 WKZOCOFTRKAWIK-UHFFFAOYSA-N 372.428 2.747 10 50 FFCA CN1C(=O)C(=CNc2ccccc2Oc2ccccc2)C(=O)N(C)C1=O 5603394 UUEQQCPCPVDXNK-UHFFFAOYSA-N 351.362 2.825 10 50 FFCA COCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 2987826 CSTYPPSBODTZPZ-LCYFTJDESA-N 369.464 2.560 10 50 FFCA c1cnc(N2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)cn1 1506407010 NFJYFASUWHOTOA-UHFFFAOYSA-N 363.509 2.756 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 2381745 BFPBXCKFHXGRIN-SEVUFMINSA-N 366.420 2.905 10 50 FFCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S1 5789474 RCDPXECGGHRFJU-RIYZIHGNSA-N 356.359 2.751 10 50 FFCA CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@H]3CCCOC3)C2=O)cc1F 170613965 QMBLJWSJPLOZIN-YOEHRIQHSA-N 363.433 2.519 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1C1CC1 1161159 JBVXTPBYVVLLCH-CXUHLZMHSA-N 353.378 2.695 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C)cc3)C2=O)cc1 2892900 ZSQCCZNSMIPDSV-WJDWOHSUSA-N 351.362 2.582 10 50 FFCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccccn4)C3)CC2)cc1 22851626 SCHYUYOMXOUPND-OAQYLSRUSA-N 366.509 2.877 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1 1122356 BLFNGTHVRGTUQG-OAHLLOKOSA-N 358.413 2.950 10 50 FFCA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13562188 SDCSVFBCYXRDHD-BZPKPHBRSA-N 373.908 2.728 10 50 FFCA CN1CCN(c2ccc(CNC(=O)CCc3ccc(F)cc3)cc2)CC1 72441525 JDJYOSSJKKBBAL-UHFFFAOYSA-N 355.457 2.827 10 50 FFCA COc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] 16667588 IFWWMEKPFDEKSI-QPEQYQDCSA-N 373.752 2.718 10 50 FFCA COc1ccc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c(O)c1 104380100 WCNXSNJILUCASS-HXUWFJFHSA-N 370.493 2.778 10 50 FFCA CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cc3ccc(N)cc3)ccc2NC1=O 161366179 VMEXKWVMTIZWIY-SJCJKPOMSA-N 353.422 2.798 10 50 FFCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/N1CCc2ccccc21 101323558 JLEZEVDUHOKDSD-ACCUITESSA-N 367.405 2.520 10 50 FFCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(O)c1 1188454 OQKZRPMHAHLXIB-BJMVGYQFSA-N 365.172 2.866 10 50 FFCA Oc1ccc(Br)cc1CN1CCN(Cc2ccncc2)CC1 19292785 CTOOSNHALJCVTK-UHFFFAOYSA-N 362.271 2.868 10 50 FFCA Cc1cc(I)cc(CN(C)CCCN(C)C)c1O 2390008 GFSRNGJEVLAEDY-UHFFFAOYSA-N 362.255 2.689 10 50 FFCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 96431514 ZPDFOHDCGABSDT-AUWJEWJLSA-N 367.317 2.805 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1O 1175068 NWBXAGWOSDDJHD-NTEUORMPSA-N 366.373 2.684 10 50 FFCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)o1 875989 ISRLAJVEBDEGBE-ACCUITESSA-N 369.352 2.685 10 50 FFCA COc1ccc(N2C(=O)/C(=C\c3ccc(C)s3)C(=O)NC2=S)cc1 1197689 UWNQYMDXSHYJFE-ZROIWOOFSA-N 358.444 2.896 10 50 FFCA O=S(=O)(NCCCSc1nccs1)C1=Cc2ccccc2OC1 170608411 ZOUGVRNRNJBSMP-UHFFFAOYSA-N 368.505 2.978 10 50 FFCA COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O 16667721 NZYIZHFMXVCXMI-ZSOIEALJSA-N 373.752 2.718 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2(C)C)cc1 77300072 BKQLNOBWALIDGD-UHFFFAOYSA-N 369.465 2.741 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(C)c3)C2=O)cc1 2892904 DOWSAHXRMXVHTO-WJDWOHSUSA-N 351.362 2.582 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 5214033 HQCAXLOOJFXWST-SEVUFMINSA-N 366.420 2.905 10 50 FFCA Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 13532445 AOHGFWVTYYWCQJ-UVTDQMKNSA-N 355.444 2.936 10 50 FFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/NCCC2=CCCCC2)C1=O 100401279 CCGXORZDFUSPTN-SSZFMOIBSA-N 353.422 2.942 10 50 FFCA CC1CCN(S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CC1 4134553 LDJHQWKWCJUYHN-UHFFFAOYSA-N 369.442 2.883 10 50 FFCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1 4704223 JRKPXKNEDFUKHG-GDNBJRDFSA-N 366.373 2.630 10 50 FFCA Cc1c(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cnn1C 390834876 LBCOEKQPPAZJAB-ATVHPVEESA-N 367.478 2.521 10 50 FFCA COc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)N=C2O)c1 8837680 UMWKECNWLQGLGP-WQLSENKSSA-N 373.346 2.536 10 50 FFCA COc1cccc(O)c1CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 39406589 LEAYDETUDSDRSM-GOSISDBHSA-N 374.456 2.609 10 50 FFCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1 1213597 OQRPRZOTIDEORQ-GZTJUZNOSA-N 350.374 2.978 10 50 FFCA CCc1cccc2c(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c[nH]c12 16266849 ZEIWGCKUUWNQAQ-SXGWCWSVSA-N 363.373 2.985 10 50 FFCA Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccncc1 14009081 DOBKCUFNORKXIA-RIYZIHGNSA-N 373.459 2.775 10 50 FFCA CN1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccnc1 328642442 RAQFXQUOZHPJMT-UNMCSNQZSA-N 366.509 2.701 10 50 FFCA CN1CCc2cc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc21 225421701 WOTKLRGWRGVCBH-UHFFFAOYSA-N 350.378 2.998 10 50 FFCA Cc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O 1146989 GEGWCTDDFLTKFD-UHFFFAOYSA-N 357.479 2.584 10 50 FFCA O=C(C1CCN(Cc2ccccc2O)CC1)N(CCO)Cc1ccccc1 4725530 XOIUVCHOMLLUNO-UHFFFAOYSA-N 368.477 2.625 10 50 FFCA O=C(CCC1CCN(Cc2cc(Cl)ccc2O)CC1)N1CCOCC1 14980971 LLFRJEOIZLSFLL-UHFFFAOYSA-N 366.889 2.897 10 50 FFCA COc1ccc(N2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 54172797 VJSQMSGNPOCXEW-KRWDZBQOSA-N 365.477 2.795 10 50 FFCA CN(Cc1ccc2c(c1)CCCN2C)c1cc([C@H]2CCCNC2)ncn1 106705207 ILWKIGHVCRCENF-SFHVURJKSA-N 351.498 2.962 10 50 FFCA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2Cl)C1=O 2892774 LLEHGSGGLAFTIH-KHPPLWFESA-N 371.780 2.927 10 50 FFCA Cn1cncc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F 237936876 JABYLLWTPHHRGK-UHFFFAOYSA-N 354.376 2.565 10 50 FFCA O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C/c1ccco1 39869932 UCFIYDZLAYAORV-KPKJPENVSA-N 358.331 2.758 10 50 FFCA COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 72446727 UXTAGDFRAOBSTI-UHFFFAOYSA-N 353.466 2.685 10 50 FFCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 2850165 AVRXRMFWJGYHPR-UHFFFAOYSA-N 369.333 2.597 10 50 FFCA COC(=O)c1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1 334163454 SPOXFOQPELAXSU-UVTDQMKNSA-N 362.476 2.728 10 50 FFCA COC[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1 1506420846 BFAGUXBKLXJEJS-GOSISDBHSA-N 355.438 2.756 10 50 FFCA COc1ccc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)[C@H](C)C2)cc1 72457891 KUSPLTBNTSTGSU-MRXNPFEDSA-N 370.497 2.978 10 50 FFCA COc1ccc(CN2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1 1309720 FDMVPVMYMRUYSC-MDWZMJQESA-N 371.305 2.699 10 50 FFCA CCN(CC)c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1 19691181 UVIWKFADOKMKEF-UHFFFAOYSA-N 361.511 2.513 10 50 FFCA CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)cc2C1=O 4826348 GZOPVDIRVNRXTL-UHFFFAOYSA-N 358.737 2.516 10 50 FFCA COc1cc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)ccc1O 977998 HDMVRUHSNFQVDW-OTAKNEKHSA-N 367.448 2.711 10 50 FFCA COCCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 16212429 WYMIHWSQJMDRDB-WOJGMQOQSA-N 371.412 2.983 10 50 FFCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O 1225753 IXDIMCCXKQJTBD-GXDHUFHOSA-N 366.373 2.766 10 50 FFCA COCc1cc(CN[C@H]2CCCN(C(=O)c3ccco3)C2)ccc1OC 952988277 QQYNLLPHXBMSHF-KRWDZBQOSA-N 358.438 2.829 10 50 FFCA Cc1c(CCNC(=O)/C=C/c2cnc(N)nc2)c2cccc3c2n1CCC3 952870112 SDLOUUOSRLXCAK-BQYQJAHWSA-N 361.449 2.640 10 50 FFCA COc1ccc(N2CCN(C(=O)c3csc(CN(C)C)n3)[C@@H](C)C2)cc1 72457444 QDZHTGGGWKVWBX-AWEZNQCLSA-N 374.510 2.564 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 6049869 BFPBXCKFHXGRIN-VNKGSWCUSA-N 366.420 2.905 10 50 FFCA CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O 19788543 FNWLFFBPRHXVLU-PTNGSMBKSA-N 366.373 2.766 10 50 FFCA O=C(c1ccncc1)N1CCC(NCc2ccc3c(c2)CCCO3)CC1 921559703 FNQIMDZITNYJGQ-UHFFFAOYSA-N 351.450 2.801 10 50 FFCA COc1ccc(OC)c(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1 18283942 DDZRJXCPIMFGRW-GGTJGZGTSA-N 362.451 2.783 10 50 FFCA COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 1386689 HSZGAXPVRRWCCS-UHFFFAOYSA-N 369.421 2.821 10 50 FFCA CSCC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)C(=O)O 426490716 OYPQVWYVHBTBSF-KRWDZBQOSA-N 364.511 2.999 10 50 FFCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 4322647 PPGDBDIMGZEDKQ-VHHYUNCXSA-N 365.501 2.631 10 50 FFCA CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 4700964 XQKPSOPEDGAOGD-UHFFFAOYSA-N 358.737 2.516 10 50 FFCA COC(=O)[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1O 170600551 KZTWDLBPDHCMLT-GFCCVEGCSA-N 355.177 2.738 10 50 FFCA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(-c3ncccn3)ccc2O)C1 299797476 OZKSDZIJWGKWRM-QGZVFWFLSA-N 368.481 2.930 10 50 FFCA O=C(O)c1cc(N/N=N\c2cccc(S(=O)(=O)O)c2)cc([N+](=O)[O-])c1 18126608 VCGONBIWYJBEHK-UHFFFAOYSA-N 366.311 2.651 10 50 FFCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 1201238 XHTYXDUIHCSFBV-XNTDXEJSSA-N 366.373 2.630 10 50 FFCA CCOc1c(Cl)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 1161908 QODIIGQMCMGLQW-GHXNOFRVSA-N 354.815 2.854 10 50 FFCA CCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC 16671905 QAVWRKCTUJFKQY-WJDWOHSUSA-N 352.390 2.864 10 50 FFCA Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1cccc(C(=O)O)c1 15837260 OACGSVHLTRIBPK-OQLLNIDSSA-N 367.361 2.724 10 50 FFCA COc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c(OC)c1 663634 OODPMKXHUVCJLB-KPKJPENVSA-N 374.443 2.597 10 50 FFCA COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 6714445 RFWMPRAJUUXWIN-UHFFFAOYSA-N 369.421 2.836 10 50 FFCA O=C1N=C(O)/C(=C\c2cccc(OCCOc3ccccc3)c2)C(=O)N1 2997139 YPFCMUIWRNDYLL-UHFFFAOYSA-N 352.346 2.734 10 50 FFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CO[C@@H]6CCN2[C@H]1[C@H]6[C@H]5C[C@H]43 247955628 ODSKQEUFTBWNLH-YRWJUIEASA-N 366.461 2.541 10 50 FFCA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCCCC3)cc2)cn1 275396850 CEGJLQAGGFYMQM-CTNGQTDRSA-N 367.497 2.520 10 50 FFCA COC(=O)c1sc2nc3c(c(C(F)(F)F)c2c1N)CN(C(C)=O)CC3 1431298 XLXMGNLPGGFHSW-UHFFFAOYSA-N 373.356 2.589 10 50 FFCA COc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(O)=NC2=S)c1 1197582 BJJOUOCRTUVMGB-XYOKQWHBSA-N 373.346 2.868 10 50 FFCA Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 237669014 AAASMAMDPMUTRQ-UHFFFAOYSA-N 354.376 2.565 10 50 FFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 1176571 LXUGVQDEFVXRQX-NTCAYCPXSA-N 367.430 2.711 10 50 FFCA O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1 1029042 OPLAEPIMHFDWCH-UVTDQMKNSA-N 356.428 2.938 10 50 FFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1O 986610 GFJJNSLCJQVABG-DHZHZOJOSA-N 372.764 2.721 10 50 FFCA CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 967113 ROXVSAIZMAXPIL-UKTHLTGXSA-N 350.465 2.819 10 50 FFCA Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)N=C2O)cc1C 8914478 HJUMUWWZTWNEIF-MDWZMJQESA-N 355.306 2.675 10 50 FFCA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)O)c(C)n1-c1ccccc1 96151717 WUIMCZBQGBVZTC-GOSISDBHSA-N 364.405 2.641 10 50 FFCA Cc1c(C(=O)NCc2nnnn2-c2ccccc2)n(C)c2ccc(F)cc12 426537727 QBOUMBKAWBVCRU-UHFFFAOYSA-N 364.384 2.532 10 50 FFCA CCOc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)cc1 2873504 GINUOIYBXJCKOP-GXDHUFHOSA-N 358.444 2.978 10 50 FFCA C[C@H](CN(C)C)Nc1ccc(/N=N/c2c[nH]c(=O)[nH]c2=O)c2ccccc12 71767016 HNNFJEIGERJMOE-LIPRLMJMSA-N 366.425 2.994 10 50 FFCA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)c(O)c2)NC(=S)N1 861720 SRVJFIKSNLOIRN-INIZCTEOSA-N 355.419 2.529 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 893580 RQPGSGXJPDMBHZ-UHFFFAOYSA-N 357.410 2.627 10 50 FFCA O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 1916895 OTXLDXUEYYRUQY-LCYFTJDESA-N 367.448 2.944 10 50 FFCA CN(Cc1ccc2c(c1)CCCN2C)c1cc([C@@H]2CCCNC2)ncn1 67868753 ILWKIGHVCRCENF-GOSISDBHSA-N 351.498 2.962 10 50 FFCA CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 121410897 LZAKDCUEJMXPMK-UHFFFAOYSA-N 371.349 2.758 10 50 FFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5381450 HQCAXLOOJFXWST-VNKGSWCUSA-N 366.420 2.905 10 50 FFCA CC[C@@]12COC(=O)N1CCN(C1CCN(c3ccc(OC)cc3)CC1)C2 1857675526 BZWYVCKUECDRLE-HXUWFJFHSA-N 359.470 2.581 10 50 FFCA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)c(C)n1-c1ccccc1 248029337 KNECCJWTOPDNDY-AEFFLSMTSA-N 351.450 2.787 10 50 FFCA c1cc2nonc2cc1CNC1CCN(c2ccc3c(c2)OCO3)CC1 1506419085 XBVVOBUFMDKDQA-UHFFFAOYSA-N 352.394 2.710 10 50 FFCA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(C)n(-c2ccccc2Cl)c1C 67805150 ZUKQHVDBUYFYRN-APWZRJJASA-N 374.916 2.785 10 50 FFCA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 49740569 GWFCZZSEAGSAST-UHFFFAOYSA-N 360.479 2.619 10 50 FFCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nn1c(C)nc2ccccc2c1=O 5009634 DYBDENPZSYODOV-ATVHPVEESA-N 359.389 2.555 10 50 FFCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccnc2)SC1=S 4468028 RJHWRNMQUXZPMS-NTEUORMPSA-N 355.444 2.936 10 50 FFCA Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 65363071 KRMPCZUVCDTZFA-GOSISDBHSA-N 367.493 2.831 10 50 FFCA COc1ccc(O)c(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)c1 39518590 PXWASZWSHUHEKN-LJQANCHMSA-N 362.514 2.850 10 50 FFCA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3O)CC2)cc1 19313377 ZFMJKTTZSLCSEZ-UHFFFAOYSA-N 360.479 2.516 10 50 FFCA CCC1=NN2C(=N)/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)N=C2S1 4656093 ZLMPIFFSSPUUHU-IAHQFIEOSA-N 374.422 2.742 10 50 FFCA O=C(NCc1ccc(N2CCCCC2)cc1)N1CCC[C@@H]1Cn1cncn1 2325727924 VXHFPHYMWXWEFZ-LJQANCHMSA-N 368.485 2.643 10 50 FFCA CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 5960469 JTMHWUQRWYGWFD-DELQEKLWSA-N 367.448 2.768 10 50 FFCA O=C(NCc1cc(Br)cc(C(=O)O)c1O)c1ccccc1 186805 QSFIQIIUBUQZFM-UHFFFAOYSA-N 350.168 2.783 10 50 FFCA COc1ccc(N2CCCCC2)cc1NC(=O)CCNC(=O)C1CCC1 2325809439 FIRUBMLWTMQZQG-UHFFFAOYSA-N 359.470 2.930 10 50 FFCA COc1ccc(OC)c(N2C(=O)/C(=C\c3ccco3)C(=O)N=C2S)c1 6858447 DYOKRGAYEGWMIS-WQLSENKSSA-N 358.375 2.539 10 50 FFCA COc1cc(OC)c(/C=C2\SC(=S)NC2=O)cc1Br 13881295 XBLRXIHCCOCSLO-WMZJFQQLSA-N 360.254 2.955 10 50 FFCA Cc1c(CCNC(=O)NC2(C(N)=O)CCCC2)c2cccc3c2n1CCC3 426421101 JEEMHVYAKREXMX-UHFFFAOYSA-N 368.481 2.536 10 50 FFCA C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 65277669 OCVMBLSRWJRWMD-AWEZNQCLSA-N 364.442 2.702 10 50 FFCA Cc1c(N(C)/N=N/c2ccc(C(N)=O)cc2)c(=O)n(-c2ccccc2)n1C 22203602 VKGCJJIPRNOYPF-QURGRASLSA-N 364.409 2.718 10 50 FFCA CC[C@@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 13819459 NDUVSANREQEDRE-AWEZNQCLSA-N 370.457 2.908 10 50 FFCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 4262929 QLOWRQGENQBSNC-UHFFFAOYSA-N 355.415 2.637 10 50 FFCA CN(Cc1ccccc1O)Cc1nnc(SCc2ccncc2)n1C 55053761 QPWPATHFOSLUHT-UHFFFAOYSA-N 355.467 2.840 10 50 FFCA COc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c(OC)c1 20605920 YAILXFUFRFCLQB-PTJDSBPESA-N 362.451 2.783 10 50 FFCA COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)n1 225724799 WACWLLCDQLVTBN-UHFFFAOYSA-N 355.438 2.507 10 50 FFCA CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1786467 GUDOSHXDNHLWRU-HQQGHWSLSA-N 369.489 2.800 10 50 FFCA COc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c(O)c1 22930817 QQTFAAVWFYDZSH-FQEVSTJZSA-N 370.493 2.512 10 50 FFCA O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 219556856 KAODOMVUFOFWBL-SJORKVTESA-N 352.434 2.834 10 50 FFCA Cc1c(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)n(C)c2c(C)cccc12 1857722088 DVOJCGWNCPIMAU-JENIJYKNSA-N 367.493 2.777 10 50 FFCA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1 2810733 ZFVGZPBLCNUXIZ-UHFFFAOYSA-N 359.385 2.997 10 50 FFCA CCNC(=O)c1ccnc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)c1 96166073 WTWBJHWZZVIBFK-UHFFFAOYSA-N 368.481 2.945 10 50 FFCA OCCN(Cc1cccs1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506422382 QUVWEBWJDIRLST-UHFFFAOYSA-N 360.479 2.940 10 50 FFCA CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 13570324 BUMUYZUAVMIMLY-UHFFFAOYSA-N 353.447 2.571 10 50 FFCA CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)NC1=S 1163640 AKRDGQUAPXDRIO-POHAHGRESA-N 371.256 2.544 10 50 FFCA Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 72140594 DFEDMBXURAFCMA-SFHVURJKSA-N 367.493 2.831 10 50 FFCA COCCN1C[C@H]2CC[C@@H]1CN(C1CCN(c3ccc(OC)cc3)CC1)C2 95381314 OIXPAHFANYXUNU-WIYYLYMNSA-N 373.541 2.707 10 50 FFCA COc1ccc(N2CCC(N3CCC(c4n[nH]c(C)n4)CC3)CC2)cc1 670445458 OMNSNAGXRUWRES-UHFFFAOYSA-N 355.486 2.970 10 50 FFCA O=C(CSc1nccs1)NS(=O)(=O)c1cc(Cl)ccc1F 1875255665 HEFQQKHJOMVMCX-UHFFFAOYSA-N 366.848 2.533 10 50 FFCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC 15012442 FDYOZZGPRUWQHX-PTNGSMBKSA-N 366.373 2.679 10 50 FFCA Cc1cc(=O)oc2c(CN[C@H](Cc3ccccc3)C(=O)O)c(O)ccc12 1518799 MRUNGDSDRLASQM-MRXNPFEDSA-N 353.374 2.593 10 50 FFCA biogenic CCOc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1O 39519053 HWSNVCUOLGTTPD-LJQANCHMSA-N 362.514 2.992 10 50 FFCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 4834183 RWMQNBBEBKECLU-DHDCSXOGSA-N 364.357 2.644 10 50 FFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CO[C@@H]6CCN2[C@@H]1[C@@H]6[C@H]5C[C@H]43 247955621 ODSKQEUFTBWNLH-FJNZEDANSA-N 366.461 2.541 10 50 FFCA CCN1C(=O)C(=Cc2ccc(N3CCCC3)cc2C)C(=O)N(CC)C1=S 1150764 YGTPKWFLNDYBCH-UHFFFAOYSA-N 371.506 2.974 10 50 FFCA Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 1134394 FJGJGBVTTMNJPF-CSKARUKUSA-N 364.188 2.998 10 50 FFCA C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1=NN(c2ccccc2)C(=O)C1 4602803 QEZWUPAAXRFDRB-GFCCVEGCSA-N 357.797 2.974 10 50 FFCA CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 1214969 UDFSBHUETNVHNA-UKTHLTGXSA-N 359.769 2.665 10 50 FFCA CN1C(=O)/C(=C/c2ccc(OS(C)(=O)=O)c(Cl)c2)SC1=S 2823640 YDBUBHMCKCLMFV-POHAHGRESA-N 363.869 2.509 10 50 FFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1F 1180454 FRIQWAHYSYQJJE-UHFFFAOYSA-N 371.437 2.832 10 50 FFCA O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1cccs1 6270540 DCXBQAWGHDTMSZ-UHFFFAOYSA-N 354.438 2.524 10 50 FFCA COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 100401599 QIJIMNAGHMDXTR-RAXLEYEMSA-N 371.780 2.927 10 50 FFCA CN1CCN(c2ccc(CNC(=O)Cc3cccc(Cl)c3)cc2)CC1 71375362 BASKYCXYLVDHHN-UHFFFAOYSA-N 357.885 2.951 10 50 FFCA CNc1nc(C(=O)N2CCN(c3ccc(OC)cc3)C(C)(C)C2)cs1 77322407 WFMFURLHJHCMGU-UHFFFAOYSA-N 360.483 2.934 10 50 FFCA CCOc1cccc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)c1O 15746089 KCNUSADNCKOYAU-VBKFSLOCSA-N 352.390 2.815 10 50 FFCA CN1C(=O)/C(=C/c2ccc(I)o2)SC1=S 1086679 BTMHRRFXALZZLQ-XQRVVYSFSA-N 351.190 2.715 10 50 FFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3C)C2=O)cc1 1208285 MJPJJCXOVWYSKM-GZTJUZNOSA-N 366.373 2.679 10 50 FFCA Cc1cc(C)cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 13674018 TUEWJSUYTCELJC-UHFFFAOYSA-N 354.450 2.835 10 50 FFCA Oc1cc2c(cc1O)C1c3cc(O)c(O)cc3C2c2cc(O)c(O)cc21 221342725 KCRLQRDIZWMUFI-UHFFFAOYSA-N 350.326 2.907 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc(N(C)C)cc1 8914542 KZHMVFVSNQRAQZ-UHFFFAOYSA-N 352.394 2.750 10 50 FFCA COc1cc(C)c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1C 1170523 KZIIFTAQDQTTBY-GZTJUZNOSA-N 364.401 2.974 10 50 FFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 9170833 WQEIAMDHOYATLU-UHFFFAOYSA-N 364.835 2.999 10 50 FFCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCCN1CCOCC1 100111188 FRFPVOHFLKRJBH-OBGWFSINSA-N 374.460 2.524 10 50 FFCA COc1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1100384 QTGWDPLXHRUYNI-UHFFFAOYSA-N 366.870 2.860 10 50 FFCA COc1ccc(N2CCC(NC[C@H](O)c3cccc(OC)c3)CC2)cc1 161328092 OGQQHFNCVWUDSU-NRFANRHFSA-N 356.466 2.996 10 50 FFCA O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)N1CCCCC1 3902079 LYUZOXNETFFKST-UHFFFAOYSA-N 355.415 2.637 10 50 FFCA Cc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 12462078 KSXYNLBSIJQSJP-SFQUDFHCSA-N 362.458 2.740 10 50 FFCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 15012304 DIQTTXAHYVMYBX-GDNBJRDFSA-N 366.373 2.684 10 50 FFCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\NCCC1=CCCCC1 100401622 HOMBYHPWJGJCTF-OWBHPGMISA-N 357.385 2.773 10 50 FFCA CCOc1cc(N2CCN(CCOC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC 252535909 HDKGCGVCIDEPCX-CQSZACIVSA-N 367.446 2.549 10 50 FFCA Cc1cc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)no1 1811509 UAHUXSYGUMTESC-WQLSENKSSA-N 359.432 2.823 10 50 FFCA COc1ccc(N2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 55058965 XSKUIBNAOHUZQV-UHFFFAOYSA-N 357.498 2.824 10 50 FFCA COc1ccc(N2CCN(c3ncc(C(=O)O)c(C(C)C)n3)CC2)cc1 169751633 RCEBWLNPBVLXNH-UHFFFAOYSA-N 356.426 2.633 10 50 FFCA O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(Br)c1 1056653 ATRHUQHPDMLIOA-FMIVXFBMSA-N 353.241 2.752 10 50 FFCA O=C(COc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1 54285135 YUFFQTWDJVGHEN-UHFFFAOYSA-N 360.841 2.872 10 50 FFCA CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@@H]3CCCOC3)C2=O)cc1F 170613964 QMBLJWSJPLOZIN-RHSMWYFYSA-N 363.433 2.519 10 50 FFCA CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)ccc1O 13388688 ZPJGFMLIXUSUMT-LCYFTJDESA-N 367.448 2.555 10 50 FFCA O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 1185528 MONWEWUWDAIFQV-UHFFFAOYSA-N 369.285 2.506 10 50 FFCA COc1ccc(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2(C)C)cc1 77298667 LWJNDQFHEIXBKS-UHFFFAOYSA-N 369.465 2.741 10 50 FFCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 842973 GGILMKGWWCUWHR-YBEGLDIGSA-N 357.406 2.802 10 50 FFCA CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 16212390 HCPAWGMZJCNIJJ-YBEGLDIGSA-N 369.421 2.723 10 50 FFCA CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3 18142864 CPLHVPAYUQAHAW-UHFFFAOYSA-N 361.467 2.771 10 50 FFCA COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1O 39364560 YNRRXLPQASUYBM-LJQANCHMSA-N 374.456 2.609 10 50 FFCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\N1CCCc2ccccc21 18158728 MNFWQASJLJPACM-VKAVYKQESA-N 361.401 2.602 10 50 FFCA COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O 6070309 ZMDXTRSTKHTSCE-UHFFFAOYSA-N 358.346 2.510 10 50 FFCA endogenous,in-man CN1CCN(c2ccc(CNC(=O)CCc3ccccc3F)cc2)CC1 72446807 WCHIHBWVXJFGGP-UHFFFAOYSA-N 355.457 2.827 10 50 FFCA COC[C@@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1ccnn1C 1506419759 WMOFSDOOQSRJJG-HXUWFJFHSA-N 354.498 2.855 10 50 FFCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)cc2)C1 97756316 PRNRTEJNPUYSBU-CQSZACIVSA-N 366.465 2.814 10 50 FFCA C[C@@H](CN(C)C)Nc1ccc(/N=N/c2c[nH]c(=O)[nH]c2=O)c2ccccc12 71767015 HNNFJEIGERJMOE-YRMYODQKSA-N 366.425 2.994 10 50 FFCA CCOC(=O)CC1(c2ccc(OC)c(OC)c2)C(=O)c2ccccc2C1=O 5072396 YSVHPRBZNNADQG-UHFFFAOYSA-N 368.385 2.974 10 50 FFCA Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 30873569 SABFDMDCOHQELP-QGZVFWFLSA-N 354.450 2.915 10 50 FFCA Oc1ccc(Br)cc1CN1CCN(Cc2cccnc2)CC1 19339215 NPSMFTUJUPRLPQ-UHFFFAOYSA-N 362.271 2.868 10 50 FFCA COc1ccc(CCN2C[C@@H](NCc3ccc4c(c3)CCO4)CC2=O)cc1 11874423 HRMCOYGOVZCPEN-IBGZPJMESA-N 366.461 2.563 10 50 FFCA CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100591236 GLROTKJDQOLWIP-PMPSAXMXSA-N 361.825 2.679 10 50 FFCA Nc1ccc(CC(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)cc1 952985363 BEKKBTLPIRTZSF-HXUWFJFHSA-N 354.450 2.898 10 50 FFCA CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(C)C1=O 2930804 CQVHHFXWZOZTGX-UHFFFAOYSA-N 350.374 2.699 10 50 FFCA COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 1192850 YKWNWIJJWQPWJT-LFIBNONCSA-N 366.373 2.679 10 50 FFCA COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC 6017650 BYWLLSQTJBXAPV-UHFFFAOYSA-N 360.318 2.603 10 50 FFCA biogenic,in-vitro CC1=C(C(=O)Oc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2O)NC(=O)N1 22018063 DXMIOKHPKNUKEP-MRXNPFEDSA-N 369.333 2.534 10 50 FFCA COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 1090152 DHQPCIWJIMCPJK-GXDHUFHOSA-N 371.443 2.636 10 50 FFCA CCOc1ccc(Br)cc1/C=C1\SC(=S)N(N)C1=O 15016254 WCTVRKXYSGBOMA-POHAHGRESA-N 359.270 2.923 10 50 FFCA O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12 754758 NAGCNIXZISTDLA-UHFFFAOYSA-N 369.811 2.844 10 50 FFCA c1cc2c(cc1N1CCC(N[C@@H]3COC4(CCNCC4)C3)CC1)CCC2 1506395923 JWQIUWOYHYJVBG-FQEVSTJZSA-N 355.526 2.645 10 50 FFCA COc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc(Cl)c1O 4872943 FEVQTMNFSGVPPP-QPEQYQDCSA-N 358.781 2.824 10 50 FFCA COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1C 1181875 QHCIPTKLFXHWFQ-LFIBNONCSA-N 350.374 2.666 10 50 FFCA CCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1190588 JKTJNKVHYQWIML-JYRVWZFOSA-N 365.432 2.570 10 50 FFCA COc1ccc(N2CCN(C(=O)CCCc3cn[nH]c3)CC2(C)C)cc1 77437543 HNRHLPKXBGDWMV-UHFFFAOYSA-N 356.470 2.868 10 50 FFCA Cc1c(CCNC(=O)N(C)Cc2ncon2)c2cccc3c2n1CCC3 426530868 PKJOVWIJZQTSCC-UHFFFAOYSA-N 353.426 2.663 10 50 FFCA CCCCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O 7499208 MOCACEVNFVJVDR-UHFFFAOYSA-N 356.470 2.756 10 50 FFCA Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 8742383 LJMUMSFXMCWURL-UHFFFAOYSA-N 354.322 2.592 10 50 FFCA CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1ccc3c(c1)CCCO3)C2 67966822 JWQGFNDMQHERTK-OAHLLOKOSA-N 355.438 2.573 10 50 FFCA CC1=CC(O)=C2N(CC(=O)N=N/C=C3\C(C)=Nc4ccccc43)N=CN2N1 334159116 OQXBSOZORQLDDN-RCTVDGIPSA-N 363.381 2.822 10 50 FFCA COc1cc(Br)cc(/C=C2/SC(=S)N(C)C2=O)c1O 13550599 SGQRPWKSBNPINH-RUDMXATFSA-N 360.254 2.994 10 50 FFCA Cc1cc(CNS(=O)(=O)NCc2ccccc2)ccc1N1CCCC1 72168804 LMUUXTZPEDWNPB-UHFFFAOYSA-N 359.495 2.719 10 50 FFCA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 3124923 APXAQZWWOAYMAR-UHFFFAOYSA-N 373.184 2.864 10 50 FFCA Cc1cccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1C 65362175 SBHJGHGUXYBCMK-UHFFFAOYSA-N 367.493 2.750 10 50 FFCA COc1cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1O 15659772 QIOVFDFEGJTFRP-WDZFZDKYSA-N 362.744 2.655 10 50 FFCA CCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)C(=O)N(CC)C1=S 755165 QDTPOQLOXNTTDL-UHFFFAOYSA-N 359.495 2.912 10 50 FFCA COc1ccc(CN(/N=N/c2nonc2C)c2nonc2C)cc1[N+](=O)[O-] 8952561 FYHQPPQODWUISI-HMMYKYKNSA-N 374.317 2.692 10 50 FFCA COc1ccc(N2CCN(C(=O)[C@H](C)Cn3cccn3)CC2(C)C)cc1 82125847 XPVYVLQDBMDHQL-MRXNPFEDSA-N 356.470 2.655 10 50 FFCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)c1 22170628 REEFZOZNVZTUQC-MHWRWJLKSA-N 364.357 2.668 10 50 FFCA CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@@H]3CCCOC3)C2=O)cc1F 170613963 QMBLJWSJPLOZIN-PBHICJAKSA-N 363.433 2.519 10 50 FFCA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(C4CC4)o3)cc2)C1 1875271426 NRXQUMMJRCYGBL-MRXNPFEDSA-N 367.449 2.789 10 50 FFCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCc1cccnc1 18250800 PWKZSDWBDXGDQU-SFQUDFHCSA-N 351.366 2.776 10 50 FFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(F)cc3)C2=O)cc1 723601 NRXZPOSFQVNJJJ-LFIBNONCSA-N 354.337 2.891 10 50 FFCA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13562186 SDCSVFBCYXRDHD-VPMLRQHESA-N 373.908 2.728 10 50 FFCA COc1ccc(N2CC3(CN(C(=O)c4nn(C)c5ccccc45)C3)C2)cc1 2100483525 BKCQOLJOJISMIF-UHFFFAOYSA-N 362.433 2.544 10 50 FFCA Cc1nc([C@@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)cc(=O)[nH]1 23191791 RGMQQGSKRDGGMR-GOSISDBHSA-N 352.482 2.840 10 50 FFCA COc1ccccc1N1C(=O)/C(=C\Nc2ccccc2F)C(=O)NC1=S 16662446 GMAPXJTVTZMETN-KHPPLWFESA-N 371.393 2.578 10 50 FFCA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1O 625747 YZWYLKSXEJBAJF-QGZVFWFLSA-N 353.378 2.667 10 50 FFCA COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1114122 PEHHOAGJUNCDTJ-UHFFFAOYSA-N 366.464 2.535 10 50 FFCA COc1cccc2c1C1(CCN(C(=O)Cc3ccc(N)cc3)CC1)OCC2 1704335965 DSJSISWKJAWQOW-UHFFFAOYSA-N 366.461 2.911 10 50 FFCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(C)cc3C)CC2)cc1 84460001 TYLZLAMUMVIJRZ-FQEVSTJZSA-N 370.493 2.874 10 50 FFCA COc1ccc(O)c(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1 77252005 SAXXKEWBDYUOQG-GOSISDBHSA-N 374.456 2.609 10 50 FFCA Cc1c(C(=O)N[C@H]2CCCN(c3cnccn3)C2)n(C)c2ccc(F)cc12 426406103 KPJDERLDCWJPSX-HNNXBMFYSA-N 367.428 2.815 10 50 FFCA COCCn1c(C)cc(/C=C2/C(=O)N=C(O)N(C3CCCCC3)C2=O)c1C 17138023 NCOARQBZBTXEMN-ATVHPVEESA-N 373.453 2.750 10 50 FFCA COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCN3)c1 2325811440 ZVJDNMPMIMZMGR-NSHDSACASA-N 355.394 2.646 10 50 FFCA CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 12412126 IJYMQNNYJOMRBU-GDNBJRDFSA-N 359.407 2.873 10 50 FFCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 5668718 KUYGVYFIDZUETM-RIYZIHGNSA-N 357.347 2.961 10 50 FFCA COc1ccc(OC)c(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1 4591440 DDZRJXCPIMFGRW-LNDOMPNFSA-N 362.451 2.783 10 50 FFCA CCOc1cccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1 1203352 DSYQSWFYAQGDAR-GXDHUFHOSA-N 358.444 2.978 10 50 FFCA COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)ccc1O 33373186 HDMVRUHSNFQVDW-BWODNOAJSA-N 367.448 2.711 10 50 FFCA CC(=O)Oc1cccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c1 16182865 QIJDOXIPGPEHFH-SXGWCWSVSA-N 356.765 2.727 10 50 FFCA COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 26466140 SFYAGEVJBPCZQY-FMIVXFBMSA-N 365.432 2.539 10 50 FFCA COc1cccc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1O 104306728 QUYLEIIEIOGCGT-HXUWFJFHSA-N 370.493 2.778 10 50 FFCA O=C(c1cccc2[nH]c(=O)oc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 153891605 VKXOGHFJQFVBAM-AWEZNQCLSA-N 368.389 2.648 10 50 FFCA CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SCC(=O)N32)cc1 1114526 KXEZMVPHWBPCPI-QGZVFWFLSA-N 373.478 2.966 10 50 FFCA O=C1NC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C(=O)N1 263639991 RSLLDLOXVZMFMP-UHFFFAOYSA-N 361.279 2.517 10 50 FFCA Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NC1CCCC1 19794003 JNICCNQEAQMESB-UHFFFAOYSA-N 358.438 2.951 10 50 FFCA Cc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 23550130 WVYOALOYOODTMW-OYGDSYQHSA-N 365.432 2.514 10 50 FFCA COc1ccc(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3O)CC2)cc1 130430827 PROBTEQSNFVIMZ-UHFFFAOYSA-N 371.393 2.662 10 50 FFCA CCc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1154345 MAKMYOFOHUCGCB-OZYJXZHSSA-N 367.517 2.637 10 50 FFCA CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 966731 MGQXIIBLTNLNMI-QVASGMJFSA-N 365.432 2.870 10 50 FFCA Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@]3(O)CCO[C@@H]3C)c2C)c1 252491721 LRLKAUODOUZFFF-UTKZUKDTSA-N 356.466 2.981 10 50 FFCA CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 15822998 IAGXNKGINIWPFD-QINSGFPZSA-N 352.415 2.917 10 50 FFCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc3c(c2)OCCO3)c1 7496686 OABUOELNRFUMNK-UHFFFAOYSA-N 370.405 2.555 10 50 FFCA N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=NN12 20158758 GASFUAMXCPRLON-NFFPZGGSSA-N 366.358 2.894 10 50 FFCA COc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13669756 HIAUVIZHCJFBRC-MRXNPFEDSA-N 370.449 2.616 10 50 FFCA CS(=O)(=O)Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl 170677792 KYKDWKYZWPHGQZ-UHFFFAOYSA-N 352.843 2.648 10 50 FFCA O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c1 13809783 IVUNOEOGWUEBRN-SFHVURJKSA-N 356.427 2.766 10 50 FFCA O=C(c1cccc(O)c1O)N1CCC([C@H](O)CCc2ccccc2)CC1 77524372 CELAFUHSAYQDRU-GOSISDBHSA-N 355.434 2.944 10 50 FFCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(O)c(O)c1 17242514 ISJWGZSOJNKATF-GDNBJRDFSA-N 374.352 2.917 10 50 FFCA COc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc1 55060314 BISJGGIRXCWHMY-UHFFFAOYSA-N 361.392 2.734 10 50 FFCA COc1ccc(N2CCC(NC[C@@H](O)c3cccc(OC)c3)CC2)cc1 161328206 OGQQHFNCVWUDSU-OAQYLSRUSA-N 356.466 2.996 10 50 FFCA COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc([N+](=O)[O-])c1O 1185764 WHKNZDBWVAYMGO-UHFFFAOYSA-N 365.338 2.555 10 50 FFCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1Cl 22108423 XRODALWPPVLWDX-SDQBBNPISA-N 373.752 2.724 10 50 FFCA CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2)C1=O 1857666677 WVPYNQYATMXCTI-UHFFFAOYSA-N 366.373 2.760 10 50 FFCA CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(Br)cc1O 1134038 MPHVCMYLXAQQBE-UHFFFAOYSA-N 371.183 2.773 10 50 FFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1213269 LPYQKLLCNZMFBW-MVXISAMASA-N 365.432 2.726 10 50 FFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NC12CC3CC(CC(C3)C1)C2 19535437 DDFFJWCWYZHPDG-SFQUDFHCSA-N 365.433 2.712 10 50 FFCA O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C1\C(=O)Nc2ccccc21 1425533 WJARWJUNNLIDGE-YPKPFQOOSA-N 374.183 2.777 10 50 FFCA