smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)COC(=O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl 96330731 OJSDBYUJLSMOHF-UHFFFAOYSA-N 370.188 3.613 0 30 FHAC CON=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 254557038 CNNPNDDQLZCKFO-UHFFFAOYSA-N 358.246 3.818 0 30 FHAC C[C@H]1C[C@@H](C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 306892331 IHPVULHJXRINRU-LSDHHAIUSA-N 365.429 3.978 0 30 FHAC CCOC(=O)N1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 1035101 LWUVXGWCNCABLY-UHFFFAOYSA-N 366.870 3.905 0 30 FHAC C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 88347483 SYOFANGRIKNSTR-KUHUBIRLSA-N 365.429 3.978 0 30 FHAC O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC[C@H]1c1cccnc1 1024102 LHEOSHHKCZRSST-AWEZNQCLSA-N 357.262 3.914 0 30 FHAC CCOC(=O)C(=Cc1ccc(OCc2ccccc2)cc1)C(=O)OCC 39215581 VWHQKXNYOOUFKX-UHFFFAOYSA-N 354.402 3.775 0 30 FHAC CCOC(C(=O)OC1CCN(CC)CC1)(c1ccccc1)c1ccccc1 31622904 WZDKRIATFTUVOO-UHFFFAOYSA-N 367.489 3.994 0 30 FHAC CCOC(=O)c1[nH]c2ccccc2c1[C@H](NCCO)c1ccccc1Cl 2525361 PXHGGQMHBDLPAY-GOSISDBHSA-N 372.852 3.669 0 30 FHAC CC(C)(C)OC(=O)N1CCC(C=O)(c2ccc(Br)cc2)CC1 383558180 RTYNABGBGLMWQK-UHFFFAOYSA-N 368.271 3.917 0 30 FHAC CCCCOCCc1ccc(C(=O)O)c(C(=O)O)c1CCOCCCC 59914554 PQCMNMXXZIXYBI-UHFFFAOYSA-N 366.454 3.801 0 30 FHAC O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(-c2ccno2)s1 12340661 DWVMNMQOIQWVCQ-UHFFFAOYSA-N 372.374 3.805 0 30 FHAC O=C(C1CCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 38805013 QUBOHMUVAMYDKH-UHFFFAOYSA-N 361.898 3.912 0 30 FHAC CSc1sc(C(=O)O)c(C)c1S(=O)(=O)c1ccc(Cl)cc1 12366922 ZBFBKKVEJSRLSH-UHFFFAOYSA-N 362.881 3.963 0 30 FHAC Cc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C(C)(C)S)cc1 59838948 WSEDVPIDRVSGFP-CQSZACIVSA-N 353.484 3.894 0 30 FHAC O=C(Sc1ccccn1)c1csc([C@H]2COc3ccccc3O2)n1 1039118 JCPKOVBACUFUMY-CQSZACIVSA-N 356.428 3.983 0 30 FHAC CON=C(CN1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 254816140 BMBJJYIQCUJEBO-UHFFFAOYSA-N 361.848 3.652 0 30 FHAC O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2CC[C@@]1(C(=O)O)C2 306839027 YDTPAXDZUXCCLS-FPTDNZKUSA-N 363.413 3.875 0 30 FHAC COC(=O)C(=Cc1ccccc1)COCC(=Cc1ccccc1)C(=O)OC 2265272049 LMUCYKXICNGFAM-UHFFFAOYSA-N 366.413 3.516 0 30 FHAC CN(C)C=NC(=S)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133875 ZRJIKZNBWMZSSW-UHFFFAOYSA-N 360.792 3.810 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@H]2Nc3ccc(Br)cc3[C@@H]2C1 144969008 YMSAVEMRGDWREM-GXTWGEPZSA-N 353.260 3.968 0 30 FHAC COC(=O)c1sc2ccccc2c1OS(=O)(=O)c1ccc(C)cc1 2162617 CZVWTUOUZDRRDG-UHFFFAOYSA-N 362.428 3.764 0 30 FHAC CCOC(=O)NC(N[C@@H](C)c1ccccc1)(C(F)(F)F)C(F)(F)F 20458900 KKSQUGCSYICAHF-VIFPVBQESA-N 358.282 3.904 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@H](n2c(O)nc3ccccc32)C(F)(F)C1 607717017 UTODHPQDAGVQPV-ZDUSSCGKSA-N 353.369 3.559 0 30 FHAC COc1ccc([C@H]2C=NN[C@@H]2C(=O)c2c(OC)ccc3ccccc23)cc1 5733514 IBXNPYQHXAZLFV-NQIIRXRSSA-N 360.413 3.781 0 30 FHAC C[C@H](C(=O)O)c1ccc2c(c1)[C@@H](c1ccc(Br)cc1)C(=O)O2 33873965 PBZRXUVCWYIJPW-BJOHPYRUSA-N 361.191 3.688 0 30 FHAC CC1(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N=N1 114630509 GDWMJFRPAHGSDU-KRWDZBQOSA-N 365.389 3.550 0 30 FHAC O=C(CSc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCCO2 4366686 SBLPAAYTWLGCHE-UHFFFAOYSA-N 355.337 3.847 0 30 FHAC Cc1ccc(-c2nc(C)cc(OS(=O)(=O)c3ccc(C)cc3)n2)cc1 3129206 BXXPNBVKKWHCIO-UHFFFAOYSA-N 354.431 3.837 0 30 FHAC CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34O[C@@H]3C3=C(C)C(=O)O[C@H]3C[C@H]24)C1(C)C 257413746 FEAJKDLCGUYWFP-YJNPVRCXSA-N 374.477 3.554 0 30 FHAC biogenic CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 12495407 DBEPLOCGEIEOCV-VLIKLYJMSA-N 372.553 3.815 0 30 FHAC in-vitro Cc1csc2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ncnc12 1027163 RSEBWBRHGMGELH-UHFFFAOYSA-N 372.881 3.616 0 30 FHAC O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1 1034998 CJFJCIMRNPPZMZ-UHFFFAOYSA-N 350.852 3.832 0 30 FHAC CNC(=O)c1ccccc1Sc1cccc2cccc(C(=O)NC)c12 1039004 XBAUZTRVCMIFSO-UHFFFAOYSA-N 350.443 3.710 0 30 FHAC O=C1NNC(SCc2ccc(Br)cc2)=Nc2ccccc21 1024749 QSPZVSVKLJPDFJ-UHFFFAOYSA-N 362.252 3.618 0 30 FHAC CCN(C[C@H](C)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 70915624 IOGVUBPZZVBMBA-AWEZNQCLSA-N 353.418 3.978 0 30 FHAC CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(Cc2ccccc2)CC1 44137553 HVWKFUDPRWNXGV-UHFFFAOYSA-N 366.461 3.549 0 30 FHAC FC(F)(F)c1cccc(-c2nc(N3CCNCC3)nc3ccccc23)c1 1775954754 GCOJJOFTWFYYBT-UHFFFAOYSA-N 358.367 3.725 0 30 FHAC O=C(Cc1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 4365138 QBUVEVZCCPGHJA-UHFFFAOYSA-N 365.864 3.780 0 30 FHAC CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCCC2)s1 4334312 RQPQUPSPHCUYTK-UHFFFAOYSA-N 372.490 3.584 0 30 FHAC CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1C[C@@H](C(=O)O)C1 693054742 GLSVOHJKRSMNST-OKILXGFUSA-N 351.402 3.731 0 30 FHAC O=C(Cn1c(=O)c2ccccc2o/c1=N\c1ccc(F)cc1)c1ccccc1 1041380 OMBBFYFIWSOLPP-GYHWCHFESA-N 374.371 3.849 0 30 FHAC O=S(=O)(Cc1noc(-c2ccc(F)cc2Cl)n1)c1ccsc1 1047052 QGTYLWWLWVEDBP-UHFFFAOYSA-N 358.803 3.565 0 30 FHAC COc1ccc(NC(=O)c2cc(OC)ccc2OCC(F)(F)F)cc1 1024288 XLAVXBCZTVGGFJ-UHFFFAOYSA-N 355.312 3.897 0 30 FHAC O=C(NCc1csc(-c2cccs2)n1)c1ccc2nsnc2c1 4389380 NYUBLOXNCCNEOP-UHFFFAOYSA-N 358.473 3.806 0 30 FHAC O=C(O)C[C@@H](CC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 4371624 ABHSOIKWKFEVLM-GFCCVEGCSA-N 355.312 3.563 0 30 FHAC C[C@@H](c1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 699211763 FQDKSWKOFNLPRL-JOYOIKCWSA-N 358.232 3.531 0 30 FHAC O[C@H](CSc1nc(-c2ccccc2)n(-c2ccccc2)n1)C(F)(F)F 1034418 KYOHSNIDDCHGEE-CQSZACIVSA-N 365.380 3.950 0 30 FHAC Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(C)cnc32)cc1 79033885 ZRDWTLIBTNXVOS-UHFFFAOYSA-N 365.252 3.653 0 30 FHAC CCCc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(C)C 1044691 WNCWADNULXRBCT-UHFFFAOYSA-N 353.488 3.505 0 30 FHAC CCOC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 19835328 LXENTSMDHOQOAH-UHFFFAOYSA-N 353.344 3.532 0 30 FHAC O=C(Nc1ccccc1C(=O)N[C@@H]1CCSC1)c1cccc(Cl)c1 1024075 WQVJDLUVZOLHPJ-CQSZACIVSA-N 360.866 3.828 0 30 FHAC CCOC(=O)c1sc([S@](C)=O)c2c1C[C@H](c1ccccc1)CC2=O 4349969 PXJXJOFXDLZORR-FNODVLLQSA-N 362.472 3.575 0 30 FHAC Cc1nn(-c2ccccc2)nc1-c1nnc(S)n1-c1ccc(Cl)cc1 1037878 FNEGZYGAOIYPDR-UHFFFAOYSA-N 368.853 3.766 0 30 FHAC O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)N=C1c1ccccc1)c1ccco1 1036493 NMMYHIYEEMEJAN-QGOAFFKASA-N 374.371 3.932 0 30 FHAC O=C(O)/C=C/C(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 1044608 MUCFOXPQALOQOH-MDZDMXLPSA-N 369.764 3.636 0 30 FHAC O[C@@H](CSc1nc(-c2ccccc2)n(-c2ccccc2)n1)C(F)(F)F 1034417 KYOHSNIDDCHGEE-AWEZNQCLSA-N 365.380 3.950 0 30 FHAC O=C(O)[C@@H]1C[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]21 725242415 AWLKMQUTYRYYDR-MJXNMMHHSA-N 363.413 3.588 0 30 FHAC CN(C)c1cc(C(F)(F)F)nc2c(Br)c(C(C)(C)C)nn12 1039258 VCYZCHJVMQBGOR-UHFFFAOYSA-N 365.197 3.874 0 30 FHAC COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC1CCCC1 1028561 XDENQSDYGBPMGL-UHFFFAOYSA-N 365.426 3.957 0 30 FHAC O=C(N[C@]1(C(=O)O)CC[C@H]2C[C@H]21)OCC1c2ccccc2-c2ccccc21 253181002 FVKFCODFWJPGSI-NCNFXNTHSA-N 363.413 3.778 0 30 FHAC CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3cccs3)cc2)c1C 4390260 GSSRESKKVSYJBV-UHFFFAOYSA-N 369.446 3.980 0 30 FHAC CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1N1C[C@H](C)O[C@H](C)C1 20413047 HDZDTYASAUVVOT-PHIMTYICSA-N 366.820 3.818 0 30 FHAC CN(C)CCOC(=O)[C@@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1 31623015 WPQOOWXLKSEHBY-PMACEKPBSA-N 355.478 3.672 0 30 FHAC COC(=O)C1=C(Nc2ccccc2NC(=O)c2cccs2)CSC1 1037656 HIHBIRDRADORQR-UHFFFAOYSA-N 360.460 3.586 0 30 FHAC CN1C(=O)c2ccccc2[C@@H]1Nc1ccc(OCCN2CCCCC2)cc1 5318621 OSRMGAHKSUHZOH-OAQYLSRUSA-N 365.477 3.748 0 30 FHAC in-man CCN1CCC[C@@H]1CNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1OC 33607358 SXWSYDKHTJVSSA-LLVKDONJSA-N 370.280 3.697 0 30 FHAC CC(C)c1ccc(NC(=S)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 102933332 RCWFGVVBYGAMRT-NOLJZWGESA-N 362.568 3.664 0 30 FHAC COc1ccccc1-c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 138264673 YSQDSAULSHMMRP-QGZVFWFLSA-N 371.433 3.883 0 30 FHAC CN(CC(C)(C)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 307737254 ULJWEEHIHNVYKU-UHFFFAOYSA-N 353.418 3.978 0 30 FHAC COc1ccc(Oc2cccc(Cl)c2CNC(=O)CCC(=O)O)cc1 4325134 CRNNKDRRLSENRG-UHFFFAOYSA-N 363.797 3.622 0 30 FHAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(c3ccoc3)CC[C@@]12O 118939683 AEAPORIZZWBIEX-RCYRTOKTSA-N 374.521 3.986 0 30 FHAC Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 1028445 LOVCWKHQUDBQNN-UHFFFAOYSA-N 361.648 3.607 0 30 FHAC COc1ccc(C=CC(=O)NC(=S)Nc2ccc(C)cc2F)cc1OC 2265278798 MAUFMUIPMYEFGS-UHFFFAOYSA-N 374.437 3.678 0 30 FHAC CCCCCCCCCCCC(=O)N[C@H](CC)[C@@H](C(=O)O)[N+](C)(C)C 113160843 ZKLUMGXCBLRLRX-MJGOQNOKSA-O 357.559 3.962 0 30 FHAC COCc1cc(OC(=O)N(C)C)nc(Cc2c(Cl)cccc2Cl)n1 1047268 BYKPALQBGFGSOQ-UHFFFAOYSA-N 370.236 3.581 0 30 FHAC COC(=O)c1ccc(/C=C2\C(=O)Nc3ccccc32)n1-c1ccc(F)cc1 4363624 VPUIKXANGXGQEK-ATVHPVEESA-N 362.360 3.896 0 30 FHAC CC(=O)C[C@H](c1ccc(NC(C)=O)cc1)c1c(O)c2ccccc2oc1=O 199328714 BMFKPTHQJOGFQT-QGZVFWFLSA-N 365.385 3.568 0 30 FHAC COc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)n1 4363895 HXZKILJNOIQYEO-UHFFFAOYSA-N 357.288 3.641 0 30 FHAC CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(O)cc2)cc1)C(=O)O 44318429 FTAFHORHQDESIK-KRWDZBQOSA-N 357.406 3.580 0 30 FHAC Cc1cc(OC(=O)N(C)C)nc(SCc2c(F)cccc2Cl)n1 1044442 QQFAMUBLBQAYJV-UHFFFAOYSA-N 355.822 3.930 0 30 FHAC Clc1nc(N2CCCCC2)nc2c(Cl)nc(N3CCCCC3)nc12 38613465 WQLZHZNMYLIOEC-UHFFFAOYSA-N 367.284 3.707 0 30 FHAC O=C(O)CCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 1024742 MAWCWRDYVZNCQG-UHFFFAOYSA-N 354.206 3.791 0 30 FHAC CNC1=C(c2cc(Cl)ccn2)C(=O)[C@H](c2cccc(C(F)(F)F)c2)O1 95924394 HUXIYYMKKJDRLQ-HNNXBMFYSA-N 368.742 3.982 0 30 FHAC CN1[C@H]2CCC[C@H]1CC(OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 100075163 PNRNRQUPANPINL-CNNODRBYSA-N 357.494 3.623 0 30 FHAC Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1 1032939 XODFOKNVIXVECF-UHFFFAOYSA-N 371.487 3.765 0 30 FHAC CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@@H]3CO3)cc12 1854247 BHHSMTHNBZAXQA-QGZVFWFLSA-N 351.402 3.893 0 30 FHAC CS(=O)(=O)c1csc(C(=O)Nc2ccccc2Cl)c1Cl 36048342 IEIXYCHVVVYGRN-UHFFFAOYSA-N 350.248 3.711 0 30 FHAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]12 6067642 KWYNDVHEQWYGIL-YSZCXEEOSA-N 372.527 3.578 0 30 FHAC C[C@@H]1CCN(Cc2ccccc2)C[C@H]1N(C)c1nc(Cl)nc2[nH]ccc12 201801093 MXIDKFWWKNFJKE-RHSMWYFYSA-N 369.900 3.958 0 30 FHAC O=C(N[C@H](C(=O)O)c1cccnc1)OCC1c2ccccc2-c2ccccc21 2583481 MVIRKKKVCROOQJ-FQEVSTJZSA-N 374.396 3.746 0 30 FHAC O=C(C1CCC1)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 19880205 BLPPCGSJRSTKMD-UHFFFAOYSA-N 363.383 3.702 0 30 FHAC COC(=O)c1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C 585164702 KGLJNKRRIRJQBS-UHFFFAOYSA-N 354.200 3.974 0 30 FHAC c1ccc2sc(N3N=N[C@@H]4CCCCC[C@]43N3CCOCC3)nc2c1 75271821 OLEKFSLNGLGQPC-SJLPKXTDSA-N 357.483 3.845 0 30 FHAC CS(=O)(=O)c1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 4389129 DJQYMZSBZSAECB-UHFFFAOYSA-N 373.455 3.652 0 30 FHAC O=C(O)C(=NNc1ccc(Cl)cc1Cl)c1ccccc1C(=O)O 5277816 IKVUVRQKXWJLDZ-UHFFFAOYSA-N 353.161 3.592 0 30 FHAC CN(C)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1 31623014 WPQOOWXLKSEHBY-UXHICEINSA-N 355.478 3.672 0 30 FHAC O=c1cc(NCc2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1 1044251 QGKWVTGYBOOKBL-UHFFFAOYSA-N 369.424 3.601 0 30 FHAC CC1(C)[C@@H](CN)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 675045932 PECAGEGLVJAYHW-VLIAUNLRSA-N 350.462 3.899 0 30 FHAC CCCN1CCC[C@H](NC(=S)Nc2ccc(Br)cc2C)C1 4347963 XNZSKNADCZZCMP-AWEZNQCLSA-N 370.360 3.918 0 30 FHAC Cc1ccc(S(=O)(=O)N=[S@@](C)c2ccc(C(F)(F)F)cn2)cc1 4347564 WGHGGZDBBFTPOJ-JOCHJYFZSA-N 362.398 3.588 0 30 FHAC O=C(Nc1ccccc1N1CCOCC1)c1ccc(OC(F)(F)F)cc1 1033525 NBUPZMJOVQUHFX-UHFFFAOYSA-N 366.339 3.674 0 30 FHAC COC(=O)c1ccc2c(c1)CC[C@@]1(CCCN(Cc3ccccc3)C1=O)C2 585164096 DKBALBKKJMUSNE-QHCPKHFHSA-N 363.457 3.771 0 30 FHAC O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CCOCC1CC1 1846268 PLRHQQPBNXIHAZ-UHFFFAOYSA-N 368.864 3.951 0 30 FHAC in-man CC(C)(C)OC(=O)N1C[C@H](CC(=O)O)c2cc(Br)ccc21 725374337 DFQNMAJYGWPHSN-VIFPVBQESA-N 356.216 3.763 0 30 FHAC Cc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1Cl 95921884 QGHJOZOUJMQITC-UHFFFAOYSA-N 370.946 3.678 0 30 FHAC O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1ccc(I)cc1 91676178 BRTJQTYCGVEPNG-PWSUYJOCSA-N 372.202 3.755 0 30 FHAC CCOC(=O)[C@H](Br)[C@@H](Br)c1ccc(F)cc1 147231655 JFMKSUJUWMHHLT-VHSXEESVSA-N 354.013 3.588 0 30 FHAC O=C(NCc1ncccc1C(=O)O)OCC1c2ccccc2-c2ccccc21 1536220039 BHRGFWIMTUIHOT-UHFFFAOYSA-N 374.396 3.819 0 30 FHAC CCC(=O)N(c1ccccc1)C1(CO)CCN(CCc2cccs2)CC1 146051739 IKKRKSPOFAHWCV-UHFFFAOYSA-N 372.534 3.561 0 30 FHAC COc1cc(NC(=S)NC(=O)c2ccccc2)cc(C(F)(F)F)c1 1046463 RWFORAXOWIASMF-UHFFFAOYSA-N 354.353 3.841 0 30 FHAC Cc1ccc(O[C@H]2CN(C(=O)OCc3ccccc3)CCC2=O)cc1C 39136278 IREWSICBZIUXDF-FQEVSTJZSA-N 353.418 3.662 0 30 FHAC COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2ccco2)cc1 1028580 BQIBDTKCXONYKI-UHFFFAOYSA-N 365.311 3.960 0 30 FHAC CCOC(=O)c1c(Cc2ccccc2)c(O)c(=O)n(-c2ccccc2)c1C 238790508 CPZZVMJOKAHITC-UHFFFAOYSA-N 363.413 3.619 0 30 FHAC O=C(O)CSCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1025574 TUELXDWAUCCNCG-UHFFFAOYSA-N 358.444 3.720 0 30 FHAC O=C(N[C@]1(C(=O)O)CC[C@@H]2C[C@@H]21)OCC1c2ccccc2-c2ccccc21 253181007 FVKFCODFWJPGSI-OEVHLYDDSA-N 363.413 3.778 0 30 FHAC O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1 1035002 IDZXBDCBNVJAFX-UHFFFAOYSA-N 351.840 3.659 0 30 FHAC Cc1ncc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)c(CO)c1O 1040757 WLUKKTLBTKOTSG-UHFFFAOYSA-N 369.368 3.775 0 30 FHAC Fc1ccc(-c2n[nH]cc2CN2CCN(Cc3ccccc3)CC2)cc1 19722867 JJXVLYVNMJUQRJ-UHFFFAOYSA-N 350.441 3.534 0 30 FHAC Ic1cc(-c2ccccn2)nc(-c2ccccn2)c1 35654109 JMHKKVCRIHPIDQ-UHFFFAOYSA-N 359.170 3.810 0 30 FHAC CCOC(=O)c1sc([S@](C)=O)c2c1C[C@@H](c1ccccc1)CC2=O 4349964 PXJXJOFXDLZORR-OIRASMEMSA-N 362.472 3.575 0 30 FHAC CN(C)CC(=O)c1ccc2c(c1)-c1ccc(C(=O)CN(C)C)c3cccc-2c13 3590807 QCHHDVXUCJUNJK-UHFFFAOYSA-N 372.468 3.976 0 30 FHAC COC(=O)[C@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(C)O)CC1=O 96030507 JDBGHSWJPLOAHP-XBYJPMCMSA-N 362.510 3.748 0 30 FHAC in-vitro CCOC(=O)C(=CNc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 2155259 GCRDMRZCDJJIGQ-UHFFFAOYSA-N 365.735 3.781 0 30 FHAC CCCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)n[nH]c1=O 2148517 RFWYNNZTFOGVNA-UHFFFAOYSA-N 362.499 3.616 0 30 FHAC COC(=O)C=CCNC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc12 2265336320 ONZCVJIBENGLKN-UHFFFAOYSA-N 370.449 3.532 0 30 FHAC CC(C)(C)S(=O)(=O)Cc1nc(-c2ccc3c(c2)OCCCO3)cs1 1047003 CXOWZVMEACRURI-UHFFFAOYSA-N 367.492 3.685 0 30 FHAC COc1ccc(NC(=O)[C@@H]2Nc3ccccc3[C@@]23CCC[C@H](OC)C3)cc1 96334548 DBGYXVNGEGJKGX-XJABCFGWSA-N 366.461 3.955 0 30 FHAC O=S(=O)(Oc1ccc(-c2csnn2)cc1)c1ccccc1Cl 2148656 WTYHTULKJYHDFI-UHFFFAOYSA-N 352.824 3.626 0 30 FHAC Cc1ccc(N2C(=O)CC(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C 1040706 ANOMUVDWGJRAIN-UHFFFAOYSA-N 352.459 3.975 0 30 FHAC Fc1ccc(CN2CCCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 4299386 MKISMWWRVQYMSB-UHFFFAOYSA-N 361.461 3.870 0 30 FHAC O=C(CCl)Nc1cc(Cl)c(Cl)cc1I 2015089 OUYDNYHHLCOIHX-UHFFFAOYSA-N 364.397 3.775 0 30 FHAC O=C1C[C@@H](c2ccccc2)N(c2ccc(OC(F)(F)F)cc2)C(=S)N1 3126475 MPGSAWXQLWNXLB-AWEZNQCLSA-N 366.364 3.938 0 30 FHAC Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CCCC[C@H]2C)c(C)c1C 3170068 KFHZOZNISXPNDD-CQSZACIVSA-N 366.571 3.772 0 30 FHAC COC(=O)c1scc(C)c1NC(=O)C1=Cc2cc(Cl)ccc2OC1 1028604 ZPZYXHLBIDVMBL-UHFFFAOYSA-N 363.822 3.911 0 30 FHAC Cc1cc(=O)c(OCc2ccc3ccccc3n2)nn1-c1ccc(F)cc1 33893762 JIYCLWVPZDMGIB-UHFFFAOYSA-N 361.376 3.807 0 30 FHAC CC(C)CCC(=O)[C@@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1CCC(C)C 5114410 JIZQRWKUYFNSDM-QVKFZJNVSA-N 366.498 3.785 0 30 FHAC COC(C(=O)OC[C@@H]1CCCCN1C)(c1ccccc1)c1ccccc1 31622905 PIJQYMCYYIXSJW-FQEVSTJZSA-N 353.462 3.604 0 30 FHAC CC(C)c1ccc(NC(=S)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102933330 RCWFGVVBYGAMRT-DUVNUKRYSA-N 362.568 3.664 0 30 FHAC Cc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1 100209590 BXZUEAIQAQJGGS-KHPPLWFESA-N 356.227 3.816 0 30 FHAC O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 1040331 OVPOCDXVSUIAEO-UHFFFAOYSA-N 373.290 3.552 0 30 FHAC O=C1N=C(O)[C@@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 3096634 VTOLQEMXZUTSMA-MVWZDZTGSA-N 369.846 3.561 0 30 FHAC CCOC(=O)c1c(O)c(Cc2ccccc2)c(=O)n(-c2ccccc2)c1C 238790507 IHXNPRDLICFBGN-UHFFFAOYSA-N 363.413 3.619 0 30 FHAC O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)C2CCCCC2)CC1 1037002 JJOCWRUPWDPBSU-UHFFFAOYSA-N 369.292 3.858 0 30 FHAC FC(F)(F)c1ccnc(Oc2ccc(I)cc2)n1 1048495 SGBSCZFQXLSNAI-UHFFFAOYSA-N 366.080 3.892 0 30 FHAC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N1CCOCC1 1047195 IJKVQRPNITUWSW-UHFFFAOYSA-N 356.209 3.821 0 30 FHAC O=C(N[C@@H]1CC[C@@]2(C(=O)O)C[C@@H]12)OCC1c2ccccc2-c2ccccc21 1615651274 HXJXYTOFUCGTDW-NNMXDRDESA-N 363.413 3.778 0 30 FHAC O=C(C[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1I 83328474 ZPGHWWKTVPATLX-MNOVXSKESA-N 372.202 3.755 0 30 FHAC COc1ccc(-c2oc3ccccc3c(=O)c2C)cc1CN1CCOCC1 32131146 BVQQFVHBHXMHFY-UHFFFAOYSA-N 365.429 3.609 0 30 FHAC COc1ccc2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c1 4324494 LILLEVXBHLVIHZ-UHFFFAOYSA-N 363.461 3.571 0 30 FHAC O=C(c1ccco1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 1034354 QQYFPUMDKWUBMW-UHFFFAOYSA-N 374.849 3.746 0 30 FHAC COc1ccccc1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 4299518 QVPTYUBZZZUMKF-UHFFFAOYSA-N 357.429 3.574 0 30 FHAC O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(OC(F)(F)F)cc1 254618291 KXVJZEJRKIXOAW-UHFFFAOYSA-N 372.730 3.768 0 30 FHAC CN(N[C@H]1OC(=O)c2ccccc21)c1ncc(Cl)cc1C(F)(F)F 1039440 SVKWQENPNZQJRS-ZDUSSCGKSA-N 357.719 3.564 0 30 FHAC O=C(NCc1ccc(-c2cccs2)s1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 215703771 RKOPCQCANPPAFK-KUDNYVPYSA-N 359.472 3.616 0 30 FHAC O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1cccc2nsnc12 2142388 UNUWQDCBFIPNQB-UHFFFAOYSA-N 361.231 3.766 0 30 FHAC CC(C)CCn1c(Br)nc2c1CCN(C(=O)OC(C)(C)C)C2 310021507 RVRPEHZNZPHACO-UHFFFAOYSA-N 372.307 3.985 0 30 FHAC C[S@](=O)(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 100218606 WMHRLNPEYSUTQP-HXUWFJFHSA-N 364.275 3.839 0 30 FHAC COc1ccnc(C[S@](=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C 5116095 OWWKQFJLNQHYQS-RUZDIDTESA-N 369.368 3.602 0 30 FHAC Nc1ccccc1S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 1045908 GHGYRHLIIMFWTO-AWEZNQCLSA-N 367.257 4.000 0 30 FHAC Cc1c(C(=O)Oc2ccccc2Cl)sc2nc(C(F)(F)F)nn12 1032029 RGJXNQSXHMYIRY-UHFFFAOYSA-N 361.732 3.991 0 30 FHAC COc1ccnc(C[S@@](=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C 5116090 OWWKQFJLNQHYQS-VWLOTQADSA-N 369.368 3.602 0 30 FHAC CCOC(=O)c1sc([S@@](C)=O)c2c1C[C@@H](c1ccccc1)CC2=O 1037849 PXJXJOFXDLZORR-YYUOZPCZSA-N 362.472 3.575 0 30 FHAC O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCCC2)CC1 1044239 VWHRUKBAVHPHMM-UHFFFAOYSA-N 369.292 3.858 0 30 FHAC CC(C)(C)OC(=O)n1nc(I)c2cc(F)ccc21 89195657 SBFXIQSGGWRHDZ-UHFFFAOYSA-N 362.142 3.563 0 30 FHAC CC(C)n1cc(I)c2c(Br)ccnc21 206428833 BKNMFDIEMSHZAP-UHFFFAOYSA-N 365.012 3.984 0 30 FHAC Cc1ccc(O[C@@H]2CN(C(=O)OCc3ccccc3)CCC2=O)cc1C 39136277 IREWSICBZIUXDF-HXUWFJFHSA-N 353.418 3.662 0 30 FHAC CN(C(=O)[C@@H]1CC[C@@H]1C(=O)O)c1nc(-c2ccc(Cl)s2)cs1 1028529 TXVSFPFERYOHLE-SFYZADRCSA-N 356.856 3.599 0 30 FHAC CCOC(=O)CSc1nncn1-c1ccc(C2CC2)c2ccccc12 211182712 NJUAOGSZYDJGLF-UHFFFAOYSA-N 353.447 3.953 0 30 FHAC O[C@H](CN1CCN(c2nc3ccc(Cl)cc3s2)CC1)c1ccccc1 20406002 YOUBOQIJYGWXRG-QGZVFWFLSA-N 373.909 3.805 0 30 FHAC O=C(COc1ccc(Cl)cc1)OCCN[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265381542 PLSMXIQMWYSHIV-BMWJPVITSA-N 363.885 3.820 0 30 FHAC Cc1ccc(NC(=S)Nc2ccccc2Cl)cc1NS(C)(=O)=O 1033000 QTOMTPNLGJFWKV-UHFFFAOYSA-N 369.899 3.829 0 30 FHAC C[C@H]1CCN(Cc2ccccc2)C[C@H]1N(C)c1nc(Cl)nc2[nH]ccc12 214482103 MXIDKFWWKNFJKE-WMLDXEAASA-N 369.900 3.958 0 30 FHAC CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@@H]24)C1(C)C 257413743 FEAJKDLCGUYWFP-KVZIJCQWSA-N 374.477 3.554 0 30 FHAC biogenic CCOC(=O)c1[nH]c2ccccc2c1[C@@H](NCCO)c1ccccc1Cl 4202858 PXHGGQMHBDLPAY-SFHVURJKSA-N 372.852 3.669 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@@H](n2c(O)nc3ccccc32)C(F)(F)C1 607717016 UTODHPQDAGVQPV-CYBMUJFWSA-N 353.369 3.559 0 30 FHAC CN(N[C@@H]1OC(=O)c2ccccc21)c1ncc(C(F)(F)F)cc1Cl 1039442 XLARJPUHICOQJW-CYBMUJFWSA-N 357.719 3.564 0 30 FHAC COc1ccccc1NC(=S)N1CCCN(Cc2ccc(F)cc2)CC1 4299416 FOZUIIAMEFWZPI-UHFFFAOYSA-N 373.497 3.739 0 30 FHAC CCOC(=O)c1cn(CC)c2cc(Cl)c(Br)cc2c1=O 39276016 DXNALVPWDPLPSV-UHFFFAOYSA-N 358.619 3.614 0 30 FHAC CCN(CC)CCOC(=O)[C@@H](Cc1ccc(OC)cc1)c1ccccc1 33985888 CQPQMXYPCFOBJF-NRFANRHFSA-N 355.478 3.907 0 30 FHAC O=C(Oc1ccccc1N1CCOCC1)c1sccc1Br 1032127 AYUCPFFTXJCZNR-UHFFFAOYSA-N 368.252 3.566 0 30 FHAC CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 1037008 YSZSSWAUBRRSIQ-UHFFFAOYSA-N 356.510 3.849 0 30 FHAC CCNc1nc(SCC(=O)OCC)nc2sc3c(c12)CC[C@@H](C)C3 1034715 GNMYQIQXJTWEBA-SNVBAGLBSA-N 365.524 3.903 0 30 FHAC CC(=O)Nc1ccc(C(O)(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1 98089899 QYKZXBPGFIZINQ-UHFFFAOYSA-N 374.440 3.888 0 30 FHAC CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NCc3ccncc3)ccc21 1040323 RVTACDXTIIAKTO-UHFFFAOYSA-N 362.355 3.961 0 30 FHAC CC(C)(C)c1ccc(C2=NNC(SCC(=O)c3ccccc3)=NN2)cc1 4333029 SCHHFIUJNMTCLY-UHFFFAOYSA-N 366.490 3.726 0 30 FHAC CON=C(C[S@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 254514097 RCMXYUDOJZCSBP-HSZRJFAPSA-N 351.855 3.648 0 30 FHAC CN1C(=O)c2ccccc2[C@H]1Nc1ccc(OCCN2CCCCC2)cc1 2019959 OSRMGAHKSUHZOH-NRFANRHFSA-N 365.477 3.748 0 30 FHAC in-man CNC(=O)Sc1c(-c2ccc(Cl)cc2)nn(C(=O)NC)c1SC 1043045 VUGREUGBSZUMGI-UHFFFAOYSA-N 370.887 3.544 0 30 FHAC O=C(Oc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1)c1ccccc1 34524543 HWSDZRBDEVTBSM-UHFFFAOYSA-N 365.776 3.999 0 30 FHAC CC(C)(C)NC[C@H](O)c1sc(Br)cc1Br 33829500 BWERHIASGOOKRE-ZETCQYMHSA-N 357.111 3.695 0 30 FHAC CC(C)c1nc2c3c(ccc2c(=O)n1-c1ccc(Cl)cc1)NCCO3 60325227 KLTXHDZENDMFRS-UHFFFAOYSA-N 355.825 3.967 0 30 FHAC CC(=NOC(=O)c1c(-c2ccccc2Cl)noc1C)c1cnccn1 254750919 TYJQMXJTNQFNRR-UHFFFAOYSA-N 356.769 3.674 0 30 FHAC O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc2c(c1)OCCO2 2143999 LYABSPJZJDSTQC-UHFFFAOYSA-N 370.352 3.602 0 30 FHAC C[C@@H](C(=O)O)c1ccc2c(c1)[C@H](c1ccc(Br)cc1)C(=O)O2 95935020 PBZRXUVCWYIJPW-PSLIRLAXSA-N 361.191 3.688 0 30 FHAC C[C@]12CC[C@H](O)C[C@H]1CC[C@@]1(O)[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@H]21 87493103 KTLSRQXCTIMHKT-RGIDTNOESA-N 374.521 3.604 0 30 FHAC CN1[C@H]2CC[C@H]1CC(NC(=O)CSCc1ccc(Cl)cc1Cl)C2 100243892 KWPWPDLRHPHSLD-GJZGRUSLSA-N 373.349 3.968 0 30 FHAC O=C(c1cccs1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 3137725 NXDRPZZLRZDHPS-UHFFFAOYSA-N 363.895 3.974 0 30 FHAC CCOC(=O)c1cn2nc(Oc3cccc(C(F)(F)F)c3)ccc2n1 1035226 JBRZSTVPAUPXCD-UHFFFAOYSA-N 351.284 3.717 0 30 FHAC Cc1cc(C(=O)Nc2c(-c3ccccc3)c(C(F)(F)F)nn2C)no1 1032662 QFJGLWINCBLWLY-UHFFFAOYSA-N 350.300 3.655 0 30 FHAC Cc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccccc23)cc1Cl 1367864 OJNJACWWCAJIBD-UHFFFAOYSA-N 362.882 3.959 0 30 FHAC Cc1ccc([S@](C)(=O)=NC(=O)NC(=O)c2c(F)cccc2Cl)cc1 13466099 ORUAIYLQGZFKLH-DEOSSOPVSA-N 368.817 3.794 0 30 FHAC N=C(NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 18099550 WFVPMYYGTMFXMH-UHFFFAOYSA-N 361.245 3.875 0 30 FHAC O=S(=O)(NCc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 1024165 OZRPKUNTOBWHTJ-UHFFFAOYSA-N 352.189 3.750 0 30 FHAC Cc1cn(CCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12 1030248 OLRCJSZPZCNILM-UHFFFAOYSA-N 363.461 3.815 0 30 FHAC O=C(c1ccccc1)N1CCCN(c2c(Cl)cncc2Cl)CC1 19924868 DLOHYQXXARGSCJ-UHFFFAOYSA-N 350.249 3.741 0 30 FHAC O=C1Nc2cccc(Br)c2C12CCN(Cc1ccccc1)CC2 147089689 DMKLFCXCUOCICT-UHFFFAOYSA-N 371.278 3.935 0 30 FHAC CC(C)CCC(=O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@@H]1CCC(C)C 5114418 JIZQRWKUYFNSDM-BTYIYWSLSA-N 366.498 3.785 0 30 FHAC COc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc1c(C)cccc1C 1043005 ZQHZBZUQOHNBFD-UHFFFAOYSA-N 367.327 3.688 0 30 FHAC Cc1cc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)no1 19835181 HZHPQEGNPPFHAJ-UHFFFAOYSA-N 359.429 3.511 0 30 FHAC CCOC(=O)C(F)(F)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C 91692009 GFFNVDUBYHATAD-AWEZNQCLSA-N 357.397 3.711 0 30 FHAC CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 1035259 NSRUJINKCYAVOC-UHFFFAOYSA-N 353.850 3.815 0 30 FHAC Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc(C)n1 1485869 WHXJSJBKDGZVDA-UHFFFAOYSA-N 370.355 3.992 0 30 FHAC CC1(C)Cc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2O1 1025686 PIXSROUTWPTRIJ-UHFFFAOYSA-N 364.489 3.795 0 30 FHAC O=C(O)c1ccc(Br)c2c(Br)ccc(C(=O)O)c12 2379543 OOFIFDTVRIMVFK-UHFFFAOYSA-N 373.984 3.761 0 30 FHAC COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N)cc1-c1ccccc1C 2048484308 MSGDBUMLGKBBIR-IBGZPJMESA-N 354.450 3.562 0 30 FHAC Fc1ccccc1CON=Cc1cc2c(cc1Br)OCO2 254513153 DFZYGMGGCAMGER-UHFFFAOYSA-N 352.159 3.868 0 30 FHAC C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 82557547 UZAANVFMPWVILR-UGSOOPFHSA-N 351.402 3.588 0 30 FHAC CCOP(=O)(OCC)C(CCC(=O)O)P(=O)(OCC)OCC 34490945 KBFLOZIKDSCHEB-UHFFFAOYSA-N 360.280 3.710 0 30 FHAC CC(C)(C)CC(C)(C)c1ccc(OCCOCCS(=O)(=O)O)cc1 5439324 AZEROKRLLWBBAK-UHFFFAOYSA-N 358.500 3.684 0 30 FHAC O=C(O)C[C@@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1535543416 AEARWYJCPQCILX-KGLIPLIRSA-N 369.392 3.823 0 30 FHAC COc1ccc([C@@H]2NN=C(c3ccccc3OCc3ccccc3)[C@@H]2O)cc1 1041089 IPFIJAXQQJCEBJ-JTHBVZDNSA-N 374.440 3.684 0 30 FHAC CCNC(=O)Nc1nc(-c2cncs2)c2cn(-c3ccccc3)cc2n1 536554717 YXERKILQIJNREI-UHFFFAOYSA-N 364.434 3.685 0 30 FHAC CN(N[C@H]1OC(=O)c2ccccc21)c1ncc(C(F)(F)F)cc1Cl 1039444 XLARJPUHICOQJW-ZDUSSCGKSA-N 357.719 3.564 0 30 FHAC O=C(NN=Cc1ccc([N+](=O)[O-])o1)C1c2ccccc2Oc2ccccc21 254386263 WNXHVBRQHMQXDX-UHFFFAOYSA-N 363.329 3.576 0 30 FHAC CC[C@H](CO)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1041739 SXVRUVXKNPXCKU-SECBINFHSA-N 360.323 3.782 0 30 FHAC c1ccc(CN(Cc2ccccc2)c2c3c(nc4ncnn24)CCC3)cc1 1033705 NVIZIKCWSUVDOI-UHFFFAOYSA-N 355.445 3.820 0 30 FHAC O=C(O)CCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 4334864 FVFSNVYWTARGNS-UHFFFAOYSA-N 355.177 3.984 0 30 FHAC O[C@@H](CN1CCN(c2nc3ccc(Cl)cc3s2)CC1)c1ccccc1 20406001 YOUBOQIJYGWXRG-KRWDZBQOSA-N 373.909 3.805 0 30 FHAC CC(C)(C)NC[C@H](O)COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 2002718 CHWRJTDXQNPRBQ-INIZCTEOSA-N 367.445 3.588 0 30 FHAC O=C(NC(=O)c1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 4382857 VGONCHJXRWICTA-UHFFFAOYSA-N 371.607 3.542 0 30 FHAC Cc1ccc([S@@](C)(=O)=NC(=O)NC(=O)c2c(F)cccc2Cl)cc1 100218554 ORUAIYLQGZFKLH-XMMPIXPASA-N 368.817 3.794 0 30 FHAC CC(C)n1cc(CCNC(=O)c2ccc3c(c2)OCO3)c2ccccc21 888104000 SAMKLMUEACQXAA-UHFFFAOYSA-N 350.418 3.923 0 30 FHAC O=C(NCCNc1ccc(C(F)(F)F)cn1)Nc1ccccc1Cl 20406004 WBXYTIRGTPMDGR-UHFFFAOYSA-N 358.751 3.987 0 30 FHAC NC(=O)c1ccc(-c2ccnc(-c3ccc(Br)s3)n2)cc1 1029675 DMVKFHDZPJPWNH-UHFFFAOYSA-N 360.236 3.734 0 30 FHAC O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(OC(F)(F)F)cc1 1029614 RHZBGCDUOOIEOC-UHFFFAOYSA-N 372.349 3.869 0 30 FHAC CCOC(=O)c1cnn2c1nc(N1C[C@H](C)C[C@@H](C)C1)c1ccccc12 1043133 FQXULOQCKPVZHL-ZIAGYGMSSA-N 352.438 3.542 0 30 FHAC C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)C1 35606167 RYFTUMKGUYBEQC-RISCZKNCSA-N 356.388 3.975 0 30 FHAC C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc12 116925581 MXIDKFWWKNFJKE-YOEHRIQHSA-N 369.900 3.958 0 30 FHAC CCOC(=O)C1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 1033413 XLZCFWVDOCRMPE-UHFFFAOYSA-N 358.463 3.534 0 30 FHAC O=C(C[C@@H]1CCCC[C@@H]1C(=O)O)c1cccc(I)c1 2579649 KRBZJRBTKJYOEH-GWCFXTLKSA-N 372.202 3.755 0 30 FHAC CC(C)(C)OC(=O)C[C@H](NCc1ccccc1)C(=O)OCc1ccccc1 34997031 CQQXCMARFHZJTO-IBGZPJMESA-N 369.461 3.620 0 30 FHAC COc1ccc([C@@H]2C=NN[C@@H]2C(=O)c2c(OC)ccc3ccccc23)cc1 5733480 IBXNPYQHXAZLFV-RXVVDRJESA-N 360.413 3.781 0 30 FHAC Cc1ccc(N2CC(=O)Nc3c(sc4nc(C)cc(C)c34)C2=O)cc1 1036160 CIRVNSRBCMRDJD-UHFFFAOYSA-N 351.431 3.820 0 30 FHAC CC1=C2N=C([C@@H]3C[C@H]3c3nc4c5ccccc5ccn4c3C)NN2[C@H](C)C=N1 575440543 PVHHGQWFGIUWAJ-NXOUGTEYSA-N 370.460 3.780 0 30 FHAC O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1cccc(I)c1 2579661 QWMNFTRKCUFPLU-PWSUYJOCSA-N 372.202 3.755 0 30 FHAC COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 1024508 XDPRBFWRMIFCNU-UHFFFAOYSA-N 360.218 3.581 0 30 FHAC C[C@H]1CN(c2ccc(NC(=S)NCc3cccs3)cc2)C[C@@H](C)O1 13468256 BYVWQKJHXFQLQF-OKILXGFUSA-N 361.536 3.848 0 30 FHAC Cc1nc(C)c(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)s1 1034865 IJNMSMXGEHXPBK-UHFFFAOYSA-N 364.517 3.967 0 30 FHAC CCOC(=O)C(=Cc1cc2cccc(CC)c2nc1Cl)C(=O)OCC 32099779 SKMOPHLZECKSSW-UHFFFAOYSA-N 361.825 3.960 0 30 FHAC CCN(CC)CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 33895647 IUGHRWRPBJSPNC-IBGZPJMESA-N 355.434 3.689 0 30 FHAC CCCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)cc1 4297063 ZRGQIHGDPUGPBC-UHFFFAOYSA-N 359.447 3.891 0 30 FHAC O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCCCC1 1028718 LXYLSHMOWBXWRE-UHFFFAOYSA-N 353.344 3.952 0 30 FHAC O=C(C[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(I)cc1 83328502 PBRAGIZIEINLNK-YPMHNXCESA-N 372.202 3.755 0 30 FHAC O=C(C[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(I)cc1 2579650 PBRAGIZIEINLNK-AAEUAGOBSA-N 372.202 3.755 0 30 FHAC COC(=O)c1sccc1OC(=O)c1cccnc1Oc1ccccc1 1042622 KQTVPVCNVFAVQT-UHFFFAOYSA-N 355.371 3.941 0 30 FHAC Brc1cc(Br)cc(CN2CCSCC2)c1 59860047 LIQJHVSMGDFDRI-UHFFFAOYSA-N 351.107 3.760 0 30 FHAC CCOC(=O)[C@@H](Br)[C@H](Br)c1ccc(F)cc1 147231839 JFMKSUJUWMHHLT-ZJUUUORDSA-N 354.013 3.588 0 30 FHAC CCOC(=O)c1c(CC)noc1-c1cccc(I)c1 39119894 VZISMOPEZBOPJX-UHFFFAOYSA-N 371.174 3.685 0 30 FHAC C[C@@H](c1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 699211759 FQDKSWKOFNLPRL-CABZTGNLSA-N 358.232 3.531 0 30 FHAC Brc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2)cc1 1041333 HOHIGTOPDUFJPX-UHFFFAOYSA-N 368.194 3.747 0 30 FHAC O=C(O)[C@H](CS)NC(c1ccccc1)(c1ccccc1)c1ccccc1 113356841 IDRDASGJVNARKR-FQEVSTJZSA-N 363.482 3.951 0 30 FHAC Cn1ncc(Br)c1NC(=O)CSc1ccc(Cl)cc1 1027596 IFGPPTJFFKIJIC-UHFFFAOYSA-N 360.664 3.567 0 30 FHAC COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccco2)cc1 299805630 YMSRNCNETWBLDF-IBGZPJMESA-N 357.431 3.665 0 30 FHAC O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(Cl)ccc2[nH]1 1034297 ZWRSRQRJFXUWQL-UHFFFAOYSA-N 355.825 3.910 0 30 FHAC O=C(O)/C(Cl)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 96331630 QTASTLGMYDHNTR-ZSOIEALJSA-N 366.200 3.748 0 30 FHAC CCCCCCCCCCCCSC[C@H](C)C(=O)NCCNCCN 136770424 TUGMAMKNPZRQQK-IBGZPJMESA-N 373.651 3.941 0 30 FHAC COc1ccc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1 1032938 VWSANYUVHQRELR-UHFFFAOYSA-N 351.431 3.917 0 30 FHAC O=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 254623984 MUIVZQOWWTWYIR-UHFFFAOYSA-N 365.614 3.952 0 30 FHAC CCOC(=O)CC1=Nn2c(nnc2-c2cc(Cl)cc(Cl)c2)SC1 1043256 LEHADPXDCMZLNN-UHFFFAOYSA-N 371.249 3.515 0 30 FHAC COc1ccc([C@H]2C=NN[C@H]2C(=O)c2c(OC)ccc3ccccc23)cc1 5733516 IBXNPYQHXAZLFV-WIYYLYMNSA-N 360.413 3.781 0 30 FHAC CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 40566132 VGGHSNNQLCWMCC-UHFFFAOYSA-N 363.822 3.708 0 30 FHAC CCCc1cc(OC(=O)c2c(O)cc(O)cc2CCC)cc(O)c1C(=O)O 15122271 KDWGMSJHASISHI-UHFFFAOYSA-N 374.389 3.626 0 30 FHAC biogenic CCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1 1047146 IHDMBCSAMYKUSY-UHFFFAOYSA-N 357.815 3.527 0 30 FHAC COc1ccc([C@H]2NN=C(c3ccccc3OCc3ccccc3)[C@H]2O)cc1 4368772 IPFIJAXQQJCEBJ-GGAORHGYSA-N 374.440 3.684 0 30 FHAC COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(F)(F)F 139676075 AQZVKEDGCQCGJX-UHFFFAOYSA-N 368.267 3.653 0 30 FHAC CC(=NOC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1cnccn1 254633068 ZZDAZXBTBGUNLV-UHFFFAOYSA-N 374.759 3.814 0 30 FHAC C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H]1C(=O)O 307689931 LFXMJNWXWBTVFL-HUUCEWRRSA-N 365.429 3.978 0 30 FHAC COc1ccc(OC[C@H](O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 1032796 PFRSHKUTRGBASJ-QGZVFWFLSA-N 372.465 3.554 0 30 FHAC C[C@]1(OCCN2CCCCC2)C(=O)N(Cc2ccccc2)c2ccccc21 95934678 YULVVEUROXJDEB-HSZRJFAPSA-N 364.489 3.951 0 30 FHAC CC(=O)Nc1ccc(S(=O)(=O)Oc2c(Cl)cccc2Cl)cc1 3131819 RMDJBNVRQDUQMD-UHFFFAOYSA-N 360.218 3.720 0 30 FHAC Cc1nc(-c2cccc(NC(=O)Nc3ccc4nsnc4c3)c2)no1 12340895 LNGFIHVEENIRMU-UHFFFAOYSA-N 352.379 3.694 0 30 FHAC O=C(N[C@@H]1C=CC[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 714209816 BMYSYUOLLGYGLW-LSDHHAIUSA-N 363.413 3.945 0 30 FHAC CC(C)(C)OC(=O)Nc1cc(Br)nc(Br)c1 575442105 ICVRVLLQWSDSCV-UHFFFAOYSA-N 352.026 3.954 0 30 FHAC CCOCCOCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 536952157 KRHFYAVGWONFOK-KRWDZBQOSA-N 370.445 3.617 0 30 FHAC Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)N2CCOCC2)c(C)c1C 1048101 ARHNQRHHGNJVOJ-UHFFFAOYSA-N 365.473 3.932 0 30 FHAC CCCCCCCCCCCC(=O)N[C@@H](CC)[C@@H](C(=O)O)[N+](C)(C)C 113160840 ZKLUMGXCBLRLRX-HKUYNNGSSA-O 357.559 3.962 0 30 FHAC CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)OCc1ccccc1)C2 145840405 UTVRIQBGQZKNST-JXFKEZNVSA-N 360.454 3.702 0 30 FHAC NCCc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 6095846 SOLDHABFOYNUBA-UHFFFAOYSA-N 361.397 3.626 0 30 FHAC O=c1nc2n(c3ccccc13)Cc1ccccc1C2=Cc1ccc(O)c(O)c1 4160052 ZIBXDULTPFSJAJ-UHFFFAOYSA-N 368.392 3.758 0 30 FHAC O=C(O)C[C@H](CC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 4371623 ABHSOIKWKFEVLM-LBPRGKRZSA-N 355.312 3.563 0 30 FHAC O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@@H]2C[C@@]21C(=O)O 675074347 VAOPUOOWIHHJOX-PEBXRYMYSA-N 363.413 3.875 0 30 FHAC Cc1ncc(C)n2nc([C@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12 210248790 ZLHNYULRKIEGAY-CVEARBPZSA-N 369.432 3.517 0 30 FHAC CN(C(=O)[C@@H]1CC[C@H]1C(=O)O)c1nc(-c2ccc(Cl)s2)cs1 1028525 TXVSFPFERYOHLE-HTQZYQBOSA-N 356.856 3.599 0 30 FHAC O=C(C[C@H]1CCCC[C@@H]1C(=O)O)c1cccc(I)c1 83328493 KRBZJRBTKJYOEH-MFKMUULPSA-N 372.202 3.755 0 30 FHAC Cc1ccc(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)cc1 1024875 FTUSIRCRIQWVMI-UHFFFAOYSA-N 352.459 3.976 0 30 FHAC COCc1cc(OC(=O)N(C)C)nc(-c2cc(Cl)cc(Cl)c2)n1 1044785 SSXXTZROKXGEDJ-UHFFFAOYSA-N 356.209 3.657 0 30 FHAC COc1ccccc1N/C=C/c1nnnn1-c1ccc(Br)cc1 100209631 QIYSJPQXIIHWSJ-ZHACJKMWSA-N 372.226 3.516 0 30 FHAC COC(=O)[C@@H]1SCCN1C(=O)c1cc(-c2ccc(Cl)cc2)oc1C 1047125 LURPJXLMSYCNRS-INIZCTEOSA-N 365.838 3.597 0 30 FHAC COc1ccc(C(=O)NC(=O)Nc2ccccc2)cc1OC1CCCC1 1040092 DXXIZDDCFJIUTI-UHFFFAOYSA-N 354.406 3.979 0 30 FHAC COc1ccc(CCNC(=O)c2c(Cl)cccc2Cl)cc1OC 1033114 WOMQSMZQWHAMJP-UHFFFAOYSA-N 354.233 3.983 0 30 FHAC COc1cc2cc(OS(=O)(=O)c3ccc(C)cc3)nc(C)c2cc1OC 4336119 ICBJECGHLXEFSQ-UHFFFAOYSA-N 373.430 3.637 0 30 FHAC O=C(NCc1csc(-c2cccs2)n1)c1cccc2c1OCCCO2 1034829 WUUGGHMWJNWAJW-UHFFFAOYSA-N 372.471 3.963 0 30 FHAC CC(C)(C)c1cc(C(=O)NCc2ccco2)n(Cc2ccc(F)cc2)n1 1035943 NCCSZLUNEHTXMM-UHFFFAOYSA-N 355.413 3.891 0 30 FHAC Cn1c(SCc2ccc(-c3csnn3)cc2)nnc1C(F)(F)F 1039048 SADREGOTXPWRJE-UHFFFAOYSA-N 357.386 3.645 0 30 FHAC CCOC(=O)c1cc(Sc2cccc(OC)c2)cc(C(=O)OCC)n1 3138405 ILBKJZFDQRQWOM-UHFFFAOYSA-N 361.419 3.595 0 30 FHAC CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34O[C@@H]3C3=C(C)C(=O)O[C@H]3C[C@@H]24)C1(C)C 257413745 FEAJKDLCGUYWFP-XUBJBJHNSA-N 374.477 3.554 0 30 FHAC biogenic COc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 1044666 GNDRQWHVBHNMEL-UHFFFAOYSA-N 369.204 3.973 0 30 FHAC COc1ccc(C(=O)C(C=O)=NNc2ccc(C(F)(F)F)cc2)cc1 254871652 DLSRPJKOYNVQAZ-UHFFFAOYSA-N 350.296 3.564 0 30 FHAC Cn1nc(C(F)(F)F)c(C=NOCc2ccc([N+](=O)[O-])cc2)c1Cl 254305652 STZIFSIYBGWWDQ-UHFFFAOYSA-N 362.695 3.551 0 30 FHAC CCOC(=O)c1nn(CC)c(-c2ccc(Br)cn2)c1Cl 2265356104 XSBCUIASQNJOIJ-UHFFFAOYSA-N 358.623 3.558 0 30 FHAC CCNC(=O)c1cccc(NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c1 93906658 LCZZMHNNEKYNNA-UHFFFAOYSA-N 368.433 3.644 0 30 FHAC Cc1cc(OCC(=O)N(C)c2ccccc2)cc2c1C(=O)CC(C)(C)O2 1043278 CZNWJRYCWQHFNA-UHFFFAOYSA-N 353.418 3.781 0 30 FHAC O=C(C[C@H](c1ccsc1)n1cccc1)N1CCN(c2ccccc2)CC1 888105026 UYGLKPYPHVFDGG-HXUWFJFHSA-N 365.502 3.878 0 30 FHAC COc1ccc([C@@H]2C[C@@H]2C(C)=NOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4084833 ALJDGBQIAAKFDF-MSOLQXFVSA-N 354.362 3.940 0 30 FHAC C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O 226845102 YLOIPWYYPLYLFH-DJJJIMSYSA-N 351.402 3.731 0 30 FHAC CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 1037278 FUQQYRCZSKTHAY-UHFFFAOYSA-N 366.870 3.668 0 30 FHAC Cc1ncc(C)n2nc([C@@H]3C[C@@H]3c3nc4c5cccnc5ccn4c3C)nc12 210248704 ZLHNYULRKIEGAY-JKSUJKDBSA-N 369.432 3.517 0 30 FHAC C=C(C)C(=O)OCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 33606591 RYKLYVSCHKVVCC-UHFFFAOYSA-N 361.397 3.675 0 30 FHAC CCN1CCC[C@H]1CNC(=O)c1[nH]c2c(Cl)cc(Cl)cc2c1OC 33607360 SXWSYDKHTJVSSA-NSHDSACASA-N 370.280 3.697 0 30 FHAC COc1ccc(-c2[nH]c3ccc(OC)cc3c2SCc2nn[nH]n2)cc1 5733539 RZSKANGVWOPCHS-UHFFFAOYSA-N 367.434 3.658 0 30 FHAC Cc1ccc(S(=O)(=O)NCc2csc(-c3cccs3)n2)cc1 1033324 MDBTVZZZZDKCBV-UHFFFAOYSA-N 350.490 3.659 0 30 FHAC CCOC(=O)NC(Nc1ccc(C(C)=O)cc1)(C(F)(F)F)C(F)(F)F 3103545 QFRVLDPDXIFDAU-UHFFFAOYSA-N 372.265 3.868 0 30 FHAC Cc1oc2ccc3c(C)cc(=O)oc3c2c1NC(=O)CN1CCCCC1 6069654 NIVBBFJSSJJTOT-UHFFFAOYSA-N 354.406 3.580 0 30 FHAC O=S(=O)(Oc1ccc(-c2csnn2)cc1)c1ccc(F)c(Cl)c1 2148653 BOBUPUGEPJWCGI-UHFFFAOYSA-N 370.814 3.765 0 30 FHAC COc1ccc2[nH]c(C(=O)Nc3ncc(C)cc3Br)cc2c1 1047157 DMVJRWLNUZBFAF-UHFFFAOYSA-N 360.211 3.895 0 30 FHAC O=C1N(Cc2ccc(Cl)cc2Cl)c2cccnc2C12CCNCC2 953056165 YAYXQHUODSRJAQ-UHFFFAOYSA-N 362.260 3.556 0 30 FHAC Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(C)(C)C)cc1 4325275 QCZCDOJYDCJQJA-UHFFFAOYSA-N 374.506 3.795 0 30 FHAC CCN1CCC[C@H](OC(=O)C(OC)(c2ccccc2)c2ccccc2)C1 31622902 MUTNDHLVYPXZBN-FQEVSTJZSA-N 353.462 3.604 0 30 FHAC CCOC(=O)C1CCN(C(=S)Nc2ccccc2C(F)(F)F)CC1 1043283 FTRZWQZPNBQXDR-UHFFFAOYSA-N 360.401 3.677 0 30 FHAC COC(Cn1c(SCc2ccccc2)nnc1-c1ccccc1)OC 1031596 ARELGDKVKUSYGV-UHFFFAOYSA-N 355.463 3.856 0 30 FHAC CCCC[Sn](CCCC)(CCCC)c1cnn(C)n1 202037361 NNUKQYGBHQGULF-UHFFFAOYSA-N 372.145 3.871 0 30 FHAC O=C(N[C@@H]1C=CC[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 685945640 BMYSYUOLLGYGLW-HUUCEWRRSA-N 363.413 3.945 0 30 FHAC CCn1cc(C(=O)N(C)c2ccc(Cl)cc2)c(C(F)(F)F)cc1=O 1043018 BGAOJPPMVOOXHJ-UHFFFAOYSA-N 358.747 3.817 0 30 FHAC CCOC(=O)NC(Nc1cccc(C(C)=O)c1)(C(F)(F)F)C(F)(F)F 3103546 FVELOSCVJXVIRW-UHFFFAOYSA-N 372.265 3.868 0 30 FHAC CC1(C)CCc2cc(CC(=O)N3CCN(c4ccccc4)CC3)ccc2O1 888105597 WQVNGECCCBCRAC-UHFFFAOYSA-N 364.489 3.682 0 30 FHAC CC1(C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1CN 675045933 PECAGEGLVJAYHW-XOBRGWDASA-N 350.462 3.899 0 30 FHAC O=c1[nH]nc(SCc2csc(-c3ccccc3)n2)n1Cc1ccco1 1034328 GNFAFQJJJRPNMU-UHFFFAOYSA-N 370.459 3.629 0 30 FHAC C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O 6067909 IRQUJNVGEAJGSD-WUOGMODZSA-N 374.477 3.905 0 30 FHAC CCCC[C@H](O)[C@@H](C[C@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)OC 96347690 AOGNNEJTJVVELO-ZGXWSNOMSA-N 366.498 3.680 0 30 FHAC CSc1nnc(C)c(C=CNOCc2ccc(Cl)cc2Cl)n1 2265276878 HLLNUFBMUQUSDC-UHFFFAOYSA-N 357.266 3.901 0 30 FHAC CC(=O)Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1C 1028576 PFPFAHQPOHKYJK-UHFFFAOYSA-N 362.149 3.827 0 30 FHAC CCOC(=O)c1cn(CC)c2cc(-c3cc(C)nc(C)c3)ccc2c1=O 33506532 COLYZJTVSVOCJZ-UHFFFAOYSA-N 350.418 3.877 0 30 FHAC CC[C@@H](CO)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1041738 SXVRUVXKNPXCKU-VIFPVBQESA-N 360.323 3.782 0 30 FHAC NC(=O)C1=CN(Cc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F 3129639 MQXMREFSYJYELP-SNVBAGLBSA-N 353.171 3.747 0 30 FHAC O=C(N[C@@H](CCCF)C(=O)O)OCC1c2ccccc2-c2ccccc21 220437294 STIMERJJIUNUER-SFHVURJKSA-N 357.381 3.728 0 30 FHAC CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)OCc1ccccc1)C2 145840206 UTVRIQBGQZKNST-OXJNMPFZSA-N 360.454 3.702 0 30 FHAC O=C(OCC1CC1)c1cnc(Sc2ccccn2)nc1C(F)(F)F 1027031 PFAJMSXRQGLDJP-UHFFFAOYSA-N 355.341 3.608 0 30 FHAC COC(OC)c1ccnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1 1047954 AYUOQVWPMGGGPJ-UHFFFAOYSA-N 361.467 3.622 0 30 FHAC CCOC(=O)C(=Cc1cc2cc(F)ccc2nc1Cl)C(=O)OCC 32099783 XURRAOQISCGDEK-UHFFFAOYSA-N 351.761 3.537 0 30 FHAC CCCN1C[C@@H](NC(=O)N(CC)CC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 3798387 FCRJELOYDVBTGW-ILZDJORESA-N 368.525 3.712 0 30 FHAC in-man CCN(CC)CCOC(=O)[C@H](Cc1ccc(OC)cc1)c1ccccc1 33985889 CQPQMXYPCFOBJF-OAQYLSRUSA-N 355.478 3.907 0 30 FHAC CCOc1ccc(NC(=O)[C@H](C)N(C(C)=O)c2ccc(OCC)cc2)cc1 38806861 YMTDWGXTPNZACB-HNNXBMFYSA-N 370.449 3.864 0 30 FHAC CNC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(OC)cc1 1035526 IWNRIDIWCGYDCZ-PKOBYXMFSA-N 351.475 3.523 0 30 FHAC CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cc1 145626118 ZOVZLNNQYBZRMB-UHFFFAOYSA-N 356.378 3.984 0 30 FHAC O=C1c2ccccc2-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 1616057388 HRSABYZFFCSYHU-UHFFFAOYSA-N 353.374 3.838 0 30 FHAC CCC(=O)O[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]21 39095119 VBXHTTHHRPGGOW-YHSLUMHMSA-N 360.494 3.811 0 30 FHAC O=C(Oc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 20443400 KPRNTLZWEAQATQ-UHFFFAOYSA-N 350.340 3.922 0 30 FHAC O=C(O)[C@@H]1NC(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 95616901 WQCYNFCRMTXSMS-KGLIPLIRSA-N 351.189 3.718 0 30 FHAC C=CCOc1ccc([C@@H]2[C@@H](CCC(=O)O)C(=O)N2c2ccc(F)cc2)cc1 165720216 HUSMDMRNQIZPGE-UYAOXDASSA-N 369.392 3.959 0 30 FHAC CC1=C2N=C([C@@H]3C[C@@H]3c3nc4c5ccccc5ccn4c3C)NN2[C@@H](C)C=N1 575440545 PVHHGQWFGIUWAJ-UYHISHBKSA-N 370.460 3.780 0 30 FHAC Cc1ccc(C(=O)CSc2nnc(-c3snnc3C)n2C2CC2)cc1 1034107 WTDCHIYWHZQTSJ-UHFFFAOYSA-N 371.491 3.723 0 30 FHAC O=c1cc(CSc2nc(-c3ccccc3)n[nH]2)c2ccc(O)cc2o1 4394882 LVWUDCBUGXQVGY-UHFFFAOYSA-N 351.387 3.576 0 30 FHAC CC(C)C[C@@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 83261182 JOACFOPTTPUWSD-INIZCTEOSA-N 350.459 3.852 0 30 FHAC CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118938823 WZTUZRFSDWXDRM-SJEPZQCDSA-N 364.913 3.973 0 30 FHAC COc1ccc2[nH]c(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc2c1 1028906 LAGDLDKMXOMGNG-UHFFFAOYSA-N 372.428 3.809 0 30 FHAC CSC1=NCCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1024685 SVWLSPHKFWXNOL-UHFFFAOYSA-N 373.714 3.760 0 30 FHAC CSCC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2562485 NEUMQDFIIJNLGB-AWEZNQCLSA-N 357.475 3.639 0 30 FHAC CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 256088512 CNWGPXZGIIOYDL-NNOPKQJHSA-N 368.514 3.865 0 30 FHAC COc1ccccc1N1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 1032687 KRMAHKMVCHBAEG-UHFFFAOYSA-N 356.466 3.857 0 30 FHAC O=S(=O)(Nc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1048290 UYWIWEJRVAKQMM-UHFFFAOYSA-N 370.274 3.920 0 30 FHAC O=C(NCCSCc1cccc(C(F)(F)F)c1)N1CCSCC1 2143899 ABAOKWPANHWKPD-UHFFFAOYSA-N 364.458 3.697 0 30 FHAC CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cccs1 4395031 ZXZVWYFSGRKFNA-QGZVFWFLSA-N 372.490 3.726 0 30 FHAC CCOC(=O)c1cccc(NC(=O)Nc2ncccc2Br)c1 39711893 IZPLFCABAIJPHN-UHFFFAOYSA-N 364.199 3.665 0 30 FHAC CCCN/C(C)=C(/C(=O)OCC)C(=S)Nc1ccc(OCC)cc1 100224832 BYBULGBSLMCBTG-DTQAZKPQSA-N 350.484 3.661 0 30 FHAC CN(C)CC(=O)c1ccc2sc3ccc(C(=O)CN(C)C)cc3c2c1 1488394 LHEGATUXJNBGRM-UHFFFAOYSA-N 354.475 3.543 0 30 FHAC O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 20224067 OXEISWMILONJCX-UHFFFAOYSA-N 369.774 3.716 0 30 FHAC CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ccc(C)cc3)C2=O)cc1 1045144 FXQKSXOIJNVTAH-QGZVFWFLSA-N 369.442 3.596 0 30 FHAC Cc1ccc(F)cc1NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 4334889 YQCIBAXMSOBQMK-UHFFFAOYSA-N 351.422 3.609 0 30 FHAC CC12CN(C(=O)OCC3c4ccccc4-c4ccccc43)C(C(=O)O)(C1)C2 688624336 CKOVLYIWQWFXDG-UHFFFAOYSA-N 363.413 3.875 0 30 FHAC CON=C(CSc1ccccc1Cl)c1sc2ncnn2c1C 254379614 DMLTXXVGQNYHLL-UHFFFAOYSA-N 352.872 3.895 0 30 FHAC COc1cc(O)c2c(=O)c3c(oc2c1)-c1ccc(O)cc1OC(C)(C)CC3 13416070 LRBWGBCDUCRXLG-UHFFFAOYSA-N 368.385 3.983 0 30 FHAC endogenous,in-man O=C(O)/C=C/C(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 3138500 OZRCXQHCYJMEBF-MDZDMXLPSA-N 367.279 3.957 0 30 FHAC CCN(CC)CCOC(=O)N(C)[C@H](C)COc1c(C)cc(C)cc1C 5649945 NPBQZHJMZLBKDW-GOSISDBHSA-N 350.503 3.789 0 30 FHAC Cc1ccc(NC(=S)N2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c1 1023434 ZQJRTIKNMBERBD-UHFFFAOYSA-N 363.527 3.943 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@H]2Nc3ccc(Br)cc3[C@H]2C1 144969214 YMSAVEMRGDWREM-TZMCWYRMSA-N 353.260 3.968 0 30 FHAC Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(C)c1C(N)=O 1043851 FLTCFFNMBGOXSJ-UHFFFAOYSA-N 352.143 3.914 0 30 FHAC CCOCCOCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 536952167 KRHFYAVGWONFOK-QGZVFWFLSA-N 370.445 3.617 0 30 FHAC C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O 226845094 YLOIPWYYPLYLFH-YJYMSZOUSA-N 351.402 3.731 0 30 FHAC Cc1cc(Br)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1 221838177 QTRJYMPEDABQBT-UHFFFAOYSA-N 369.303 3.810 0 30 FHAC CSc1nnc(C)c(C=CNOCc2cccc(Cl)c2Cl)n1 2265278859 HRQWGTSJGZAKCY-UHFFFAOYSA-N 357.266 3.901 0 30 FHAC O=C1C[C@H](c2ccccc2)N(c2ccc(OC(F)(F)F)cc2)C(=S)N1 3126474 MPGSAWXQLWNXLB-CQSZACIVSA-N 366.364 3.938 0 30 FHAC CC(C)(C)NC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 3137722 PANABARNZMYIGH-UHFFFAOYSA-N 352.891 3.580 0 30 FHAC C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)C1 35606176 RYFTUMKGUYBEQC-SMDDNHRTSA-N 356.388 3.975 0 30 FHAC COC(=O)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)CC1=O 96030510 JDBGHSWJPLOAHP-WUDZGKMJSA-N 362.510 3.748 0 30 FHAC in-vitro O=c1cc(CSc2nc(-c3cccs3)n[nH]2)c2ccc(O)cc2o1 4394881 DMTKYRZBEDNLMY-UHFFFAOYSA-N 357.416 3.638 0 30 FHAC CCCCN1CCC(CNC(=O)c2ccncc2)(c2ccccc2)CC1 5821253 YATCATULOMOQHN-UHFFFAOYSA-N 351.494 3.645 0 30 FHAC OC[C@@]12C[C@@H](NC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]1O2 521836525 HIDDPUDMYMCTNU-VXNXHJTFSA-N 371.480 3.860 0 30 FHAC O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc3ccccc3n2)c1 1044670 OTWVUBYTKJKBBP-UHFFFAOYSA-N 369.833 3.989 0 30 FHAC Cc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1 1027981 NKJRKAHQVZYWFW-UHFFFAOYSA-N 362.195 3.837 0 30 FHAC C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 34355417 XEJDJFHDOJHPJB-UHFFFAOYSA-N 368.385 3.942 0 30 FHAC CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 101166903 DBEPLOCGEIEOCV-SOCMIKLXSA-N 372.553 3.815 0 30 FHAC in-vitro C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118931554 REJBTXQSIQFRRE-HIVMMEFGSA-N 372.505 3.813 0 30 FHAC O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(-c2cccs2)s1 247421933 RKOPCQCANPPAFK-DPDCMNJDSA-N 359.472 3.616 0 30 FHAC CNC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(OC)cc1 1035524 IWNRIDIWCGYDCZ-HKUYNNGSSA-N 351.475 3.523 0 30 FHAC C[C@]12CC[C@H](OS(=O)(=O)O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2562832 CZWCKYRVOZZJNM-DTZQYVILSA-N 368.495 3.706 0 30 FHAC biogenic O=C(Nc1cccc2ccccc12)OCCn1ncc2ccccc2c1=O 1031094 FDJBQGLRHFQBMZ-UHFFFAOYSA-N 359.385 3.798 0 30 FHAC O=C(O)C=Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2265352400 YPMUIQDGERASRJ-UHFFFAOYSA-N 351.206 3.538 0 30 FHAC COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c(SC)c2)cc1 33605403 CRDBXRWQBYVTGN-IFXJQAMLSA-N 361.507 3.767 0 30 FHAC CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2ccc(O)cc2)cc1)C(=O)O 44318430 FTAFHORHQDESIK-QGZVFWFLSA-N 357.406 3.580 0 30 FHAC O=C(O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1 4324959 OFZXOMIGEAVZOG-UHFFFAOYSA-N 365.838 3.566 0 30 FHAC COc1cc(C(F)(F)F)nc2c(Br)c(C(C)(C)C)nn12 1039256 LMSJLWIPJUDMCE-UHFFFAOYSA-N 352.154 3.817 0 30 FHAC CC(=O)C[C@@H](c1ccc(NC(C)=O)cc1)c1c(O)c2ccccc2oc1=O 199328693 BMFKPTHQJOGFQT-KRWDZBQOSA-N 365.385 3.568 0 30 FHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@H]2CCCCC[C@@H]2OS1(=O)=O 2265352111 QSDNYKGYNCKXFS-JSRQGNBESA-N 373.515 3.862 0 30 FHAC O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccc(-c3cccs3)s2)[C@H]2C=C[C@H]1C2 100381775 RKOPCQCANPPAFK-GREKMHCPSA-N 359.472 3.616 0 30 FHAC CCNc1ncccc1NC(=O)c1cc(Br)cnc1Cl 71973364 FGAWMWXLCMDXFM-UHFFFAOYSA-N 355.623 3.577 0 30 FHAC CO[C@@H](C)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 34114398 JFUZJQRRXWYJQC-IBGZPJMESA-N 366.505 3.762 0 30 FHAC CC[C@@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 146852455 RPXBKCGCQQBIKE-PMACEKPBSA-N 367.445 3.820 0 30 FHAC CN(C)Cc1ccc(CSCCNC(=O)Nc2ccc(F)cc2)o1 4324775 AZFLQLXJHMKORH-UHFFFAOYSA-N 351.447 3.535 0 30 FHAC O=C(N[C@H]1CC[C@@]2(C(=O)O)C[C@@H]12)OCC1c2ccccc2-c2ccccc21 725271147 HXJXYTOFUCGTDW-CNNODRBYSA-N 363.413 3.778 0 30 FHAC O=C(N[C@]1(C(=O)O)CCC12CC2)OCC1c2ccccc2-c2ccccc21 2265383657 LMSHTKKTILKGNC-QFIPXVFZSA-N 363.413 3.923 0 30 FHAC Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N1C(=O)c2ccccc2C1=O 1043815 SSCJBXPGBXUCFT-UHFFFAOYSA-N 371.318 3.907 0 30 FHAC COc1ccc([C@H]2C[C@@H]2C(C)=NOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4084829 ALJDGBQIAAKFDF-QZTJIDSGSA-N 354.362 3.940 0 30 FHAC CC1(C)C=Cc2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)O1 13398322 OKQQXHUICMLKQI-UHFFFAOYSA-N 352.342 3.761 0 30 FHAC endogenous,in-man Cc1cc(C)n(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)n1 1042644 FPLMUCPKAGXBAM-UHFFFAOYSA-N 373.869 3.663 0 30 FHAC CCNc1nc(SCC(=O)OCC)nc2sc3c(c12)CC[C@H](C)C3 1034714 GNMYQIQXJTWEBA-JTQLQIEISA-N 365.524 3.903 0 30 FHAC COC(C(=O)OC[C@H]1CCCCN1C)(c1ccccc1)c1ccccc1 31622906 PIJQYMCYYIXSJW-HXUWFJFHSA-N 353.462 3.604 0 30 FHAC CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(SC(F)(F)F)cc1 226768447 KWVLNYLWJARMHN-JTQLQIEISA-N 351.346 3.949 0 30 FHAC O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Br)cc1F 1044551 BZOKMSRLJOEZCH-UHFFFAOYSA-N 373.128 3.828 0 30 FHAC CCN1c2ncc(Br)cc2C(=O)N(C)c2ccc(Cl)nc21 39054281 XTNKGNXBMWKAIJ-UHFFFAOYSA-N 367.634 3.641 0 30 FHAC CC(C)(C)OC(=O)N1CCCN(C(=S)Nc2ccc(F)cc2F)CC1 1023438 PNXSESMXRHVEON-UHFFFAOYSA-N 371.453 3.604 0 30 FHAC CCOC(=O)c1cnn2c1nc(N1C[C@@H](C)C[C@@H](C)C1)c1ccccc12 18114506 FQXULOQCKPVZHL-OKILXGFUSA-N 352.438 3.542 0 30 FHAC CCCc1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(OC)cc3)c2[nH]1 100233482 DNPMVXDLFXYNLJ-UHFFFAOYSA-N 351.328 3.670 0 30 FHAC C[S@](=O)(=NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 100218532 FINVOMLVBSZCJP-LJQANCHMSA-N 370.304 3.901 0 30 FHAC CCOC(=O)Cc1csc(-c2ncc(C(F)(F)F)cc2Cl)n1 1043535 TWOAYOMXDTUIOV-UHFFFAOYSA-N 350.749 3.983 0 30 FHAC CC[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 34136843 RPXBKCGCQQBIKE-UXHICEINSA-N 367.445 3.820 0 30 FHAC O=C(Sc1ccccn1)c1csc([C@@H]2COc3ccccc3O2)n1 4347579 JCPKOVBACUFUMY-AWEZNQCLSA-N 356.428 3.983 0 30 FHAC CON=C(C[S@@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 254514098 RCMXYUDOJZCSBP-QHCPKHFHSA-N 351.855 3.648 0 30 FHAC Cn1c(CNC(=O)OC(C)(C)C)nnc1SCc1ccc(Cl)cc1 1040268 DPMLTBBFNQDPGB-UHFFFAOYSA-N 368.890 3.786 0 30 FHAC NC(=O)C1=CN(Cc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F 3129640 MQXMREFSYJYELP-JTQLQIEISA-N 353.171 3.747 0 30 FHAC CCCC[Sn](CCCC)(CCCC)c1ncnn1C 195756943 KZBBXMWBVDNMND-UHFFFAOYSA-N 372.145 3.871 0 30 FHAC CN1C(=O)C(=Cc2ccccc2I)c2ccccc21 2265272054 MZZKEHWONMVXCS-UHFFFAOYSA-N 361.182 3.808 0 30 FHAC O=C1CCCN=C(N(C(=O)c2ccco2)c2ccc(F)cc2F)S1 1044862 DXXCTDAMLFBZEQ-UHFFFAOYSA-N 350.346 3.614 0 30 FHAC O=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCCC1 1049019 HFKBBEYOIHRJQW-UHFFFAOYSA-N 365.101 3.602 0 30 FHAC O=C(N[C@@]1(C(=O)O)CCC12CC2)OCC1c2ccccc2-c2ccccc21 2265383656 LMSHTKKTILKGNC-JOCHJYFZSA-N 363.413 3.923 0 30 FHAC CC(=O)Nc1c(Br)cc(Br)cc1Br 1845987 FQSQCZNNIXYDIH-UHFFFAOYSA-N 371.854 3.933 0 30 FHAC CC(C)(C)NSc1nc(NC(C)(C)C)nc(SNC(C)(C)C)n1 38645691 VQQATQRXSKKPPV-UHFFFAOYSA-N 358.581 3.872 0 30 FHAC O=C1C(=NO)c2cc([N+](=O)[O-])ccc2N1Cc1ccc(Cl)cc1Cl 254397685 BKUZHIPLKWHDDM-UHFFFAOYSA-N 366.160 3.627 0 30 FHAC COc1ccccc1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1043340 FERCFOCPHAOWBF-UHFFFAOYSA-N 367.417 3.542 0 30 FHAC COC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 1024495 RUNGZCJDDNCNLZ-UHFFFAOYSA-N 370.474 3.898 0 30 FHAC CN(C)c1ccc2nc(/C=C/c3ccc(/C=C/C(=O)O)cc3)c(=O)oc2c1 5140630 IBKDGFLXNQKJGK-SMTGYRLFSA-N 362.385 3.522 0 30 FHAC CCN1CCC[C@@H](OC(=O)C(OC)(c2ccccc2)c2ccccc2)C1 31622901 MUTNDHLVYPXZBN-HXUWFJFHSA-N 353.462 3.604 0 30 FHAC COc1ccc(C=CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc12 2265279719 ZPHNQFGKRLKKFA-UHFFFAOYSA-N 373.456 3.605 0 30 FHAC CCN(CC)CCOC(=O)N(C)[C@@H](C)COc1c(C)cc(C)cc1C 2020396 NPBQZHJMZLBKDW-SFHVURJKSA-N 350.503 3.789 0 30 FHAC O=C1c2cccc3c(Br)ccc(c23)C(=O)N1Cc1cccnc1 4347904 KUQKKSXJYPKDCX-UHFFFAOYSA-N 367.202 3.794 0 30 FHAC O=C(O)C1CC2(C1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 725240467 ICAYVJLGZAPTOS-UHFFFAOYSA-N 363.413 3.732 0 30 FHAC CCc1cc(O)n2nc(SCc3cc(Cl)ccc3Cl)nc2n1 95579616 HVAYQTZQQDSNCH-UHFFFAOYSA-N 355.250 3.991 0 30 FHAC in-vitro COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1 117430722 CQIRLPVFISHGBE-UHFFFAOYSA-N 360.385 3.984 0 30 FHAC Nc1ccc(C(=O)OCCCN2CCCCC2)c(OCc2ccccc2)c1 2020796 RYIHBLMVAOIQFY-UHFFFAOYSA-N 368.477 3.881 0 30 FHAC Cc1cccc(C#C[C@]2(O)CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 34505014 ZAPZZFRGOMWRCG-WOIUINJBSA-N 355.478 3.887 0 30 FHAC Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OC[C@@H]2CCCN32)c(C)s1 1034523 USBRWJZSHAOWSI-AWEZNQCLSA-N 364.492 3.527 0 30 FHAC CS(=O)(=O)c1csc(C(=O)Nc2cccc(Cl)c2)c1Cl 1037597 DJPKHMTUIXFMOD-UHFFFAOYSA-N 350.248 3.711 0 30 FHAC O=C(C[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1I 2579648 ZPGHWWKTVPATLX-QWRGUYRKSA-N 372.202 3.755 0 30 FHAC COc1ccnc(-n2cccc2C=NOCc2ccc(Cl)cc2)c1C#N 254448697 OHOJQUBWTOOABZ-UHFFFAOYSA-N 366.808 3.957 0 30 FHAC O=C1OC(=O)c2ccccc2C1=NNc1ccc(Cl)c(C(F)(F)F)c1 254615749 TXCRVEXDNMZZCT-UHFFFAOYSA-N 368.698 3.872 0 30 FHAC Cc1onc(-c2ccccc2)c1C(=O)Oc1ccccc1N1CCOCC1 1033374 HQEUUCWDLRRVFC-UHFFFAOYSA-N 364.401 3.706 0 30 FHAC CCOC(=O)Cc1csc(NC(=O)Nc2cc(Cl)ccc2OC)n1 1033902 UPRYFDSXWKRSED-UHFFFAOYSA-N 369.830 3.555 0 30 FHAC O=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 1044047 ZHFOPPMTYMEVTP-UHFFFAOYSA-N 364.829 3.707 0 30 FHAC Cc1ccc(S(=O)(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccco2)cc1 3816865 ITKVQDDJAZARKE-OAHLLOKOSA-N 351.424 3.585 0 30 FHAC O=C(NCc1cccs1)c1csc([C@@H]2COc3ccccc3O2)n1 1039134 CHQRWZUEJYAXBJ-HNNXBMFYSA-N 358.444 3.647 0 30 FHAC Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1 1035221 ZDBKRVUSPZNRQE-MRXNPFEDSA-N 356.853 3.678 0 30 FHAC Cc1ccc(NS(C)(=O)=O)cc1NC(=S)Nc1cccc(Cl)c1 1026892 OKRMFFQKDPUFAY-UHFFFAOYSA-N 369.899 3.829 0 30 FHAC CO[C@H](C)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 34114399 JFUZJQRRXWYJQC-LJQANCHMSA-N 366.505 3.762 0 30 FHAC CON=C(CCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 254745408 POQDZVWJMUEGOA-UHFFFAOYSA-N 351.855 3.863 0 30 FHAC Cc1cc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)no1 1342507 DBYZUNNMOSYGAK-UHFFFAOYSA-N 356.451 3.955 0 30 FHAC O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F 100064351 QTDMKZFMFHHSLJ-UHFFFAOYSA-N 364.057 3.810 0 30 FHAC Cc1cn(CCC(=O)Nc2ccccc2N2CCOCC2)c2ccccc12 1030252 FWZKDGBPHTZCON-UHFFFAOYSA-N 363.461 3.815 0 30 FHAC C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 43020550 SVKHERCOWKMPQO-CYBMUJFWSA-N 366.808 3.847 0 30 FHAC in-vitro Fc1cccc(Cl)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 20405969 XRJBSFKVXWKMMR-UHFFFAOYSA-N 374.769 3.610 0 30 FHAC COC(=O)c1ccc(N=Cc2cc(OC)cc(Br)c2O)cc1 254294505 ZQSUILDSWGAJQF-UHFFFAOYSA-N 364.195 3.701 0 30 FHAC O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCCC1 1040134 SWJHOPWLDRBYRV-UHFFFAOYSA-N 366.386 3.597 0 30 FHAC CSC1=N/C(=C/c2cccnc2)C(=O)N1CCOc1ccccc1Cl 1042860 XAHPUGWCNTVAPB-RVDMUPIBSA-N 373.865 3.716 0 30 FHAC COc1ccc(NC(=O)[C@@H]2Nc3ccccc3[C@@]23CCC[C@@H](OC)C3)cc1 263589078 DBGYXVNGEGJKGX-AGHHOFFYSA-N 366.461 3.955 0 30 FHAC O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(c2ccccc2)CC1 6579217 QDERQSYUBLZZNW-FGZHOGPDSA-N 369.480 3.743 0 30 FHAC CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2cc(Cl)ccc2n1C 644149489 URUFCRYRXKKSOP-UHFFFAOYSA-N 352.825 3.980 0 30 FHAC CC(C)(C)OC(=O)N1CCO[C@@](C)(c2cccc(Br)c2)C1 2265384926 HRIXMWMIZASTTI-MRXNPFEDSA-N 356.260 3.932 0 30 FHAC O=C(CSC1=NN[C@H](c2ccccn2)S1)Nc1cccc(Cl)c1 4365926 UTCYFHPJTTXHSE-AWEZNQCLSA-N 364.883 3.713 0 30 FHAC CCCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1 1032694 OCBVDPLKKCHBFZ-UHFFFAOYSA-N 363.417 3.848 0 30 FHAC COc1ccc(N2C(=O)C[C@@H](SCc3ccc(Cl)cc3)C2=O)cc1 1046016 QMEVFVVHGXUMHU-MRXNPFEDSA-N 361.850 3.914 0 30 FHAC COc1cc([N+]#N)c(OC)cc1/N=N/[C@H](C(C)=O)C(=O)Nc1ccccc1 111407467 HGHGLKGQEZWRFS-DUPNKOKHSA-O 368.373 3.868 0 30 FHAC C[S@@](=O)(=NC(=S)NC(=O)Oc1ccccc1)c1ccc(Cl)cc1 13466187 GRSJYNNJFZVGJC-QHCPKHFHSA-N 368.867 3.870 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)OCc3ccccc3)C2)C1 306599450 HJFODIYTYWKFIU-FQEVSTJZSA-N 360.454 3.656 0 30 FHAC CC(C)NC(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 1324226 HPJHVKZJZYPKEE-UHFFFAOYSA-N 352.891 3.580 0 30 FHAC CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 1034197 ZKIMRANDWYWSGU-UHFFFAOYSA-N 365.263 3.814 0 30 FHAC CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc2c(c1)OCC2 1034770 IIFSYXVMRIHHDU-UHFFFAOYSA-N 353.443 3.990 0 30 FHAC Cc1cc(C)c2c(n1)sc1c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c12 1035470 ULIFQUZAXBCJDH-UHFFFAOYSA-N 357.822 3.559 0 30 FHAC CN(C)CCOC(=O)[C@@H](Cc1cccc2ccccc12)C[C@H]1CCCO1 2032613 WPQOOWXLKSEHBY-VQTJNVASSA-N 355.478 3.672 0 30 FHAC CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO 13532439 HDIFHQMREAYYJW-UNERYHBUSA-N 372.546 3.891 0 30 FHAC C1CCCCCCOCCOCCOCCOCCOCCCCC1 205084722 CYUWBXUMNYYDNQ-UHFFFAOYSA-N 360.535 3.984 0 30 FHAC Cc1ccc(NC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1Cl 1032592 HHPYVXFLXNHABO-UHFFFAOYSA-N 367.858 3.972 0 30 FHAC Fc1ccc(-n2nnnc2/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1 100209483 ADBYTZKXQVMBKN-KTKRTIGZSA-N 365.290 3.783 0 30 FHAC Cn1c(SCc2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 1039190 XFPOLLMHPKGKCH-MRXNPFEDSA-N 357.410 3.759 0 30 FHAC COC(=O)c1cc(O)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 15924186 DSBABJYPZJJBGD-UHFFFAOYSA-N 355.099 3.690 0 30 FHAC CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1ccccc1 578257 APXNOJLADRFDCK-UHFFFAOYSA-N 350.378 3.693 0 30 FHAC Clc1cc(Br)c2c(I)n[nH]c2c1 14984064 YLGDCONPQXFGBH-UHFFFAOYSA-N 357.376 3.583 0 30 FHAC COc1ccc([C@@H]2C=NN[C@H]2C(=O)c2c(OC)ccc3ccccc23)cc1 5733482 IBXNPYQHXAZLFV-GHTZIAJQSA-N 360.413 3.781 0 30 FHAC Cc1cc(NC(=O)C[C@@H](CC(=O)O)c2ccc(C(F)(F)F)cc2)no1 4371736 RERLRWHNQIDPBT-NSHDSACASA-N 356.300 3.589 0 30 FHAC O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H]1c1ccc(F)cc1 1025439 PVRIFDUVNFYWRJ-QGZVFWFLSA-N 356.422 3.900 0 30 FHAC CSc1cc(-c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(C)cc1 1026523 UUBFTOLMZFDUCH-UHFFFAOYSA-N 362.451 3.957 0 30 FHAC CCOc1ccc(NC(=O)[C@@H](C)N(C(C)=O)c2ccc(OCC)cc2)cc1 38806860 YMTDWGXTPNZACB-OAHLLOKOSA-N 370.449 3.864 0 30 FHAC CC(C)(/C=C/C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1535642676 XKCCZOZGRSQBIY-VAWYXSNFSA-N 351.402 3.945 0 30 FHAC O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2nsnc2c1 1034813 UEBJAZBCNKMSNY-UHFFFAOYSA-N 355.810 3.987 0 30 FHAC COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CC(=O)C(F)(F)F 3179899 ZWKHTRPGCNPEIY-UHFFFAOYSA-N 371.336 3.662 0 30 FHAC O=S(=O)(Oc1cccc2cccnc12)c1ccc(-c2ccno2)s1 12369322 CAECMKCWICNIPV-UHFFFAOYSA-N 358.400 3.719 0 30 FHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@@H]2CCCCC[C@@H]2OS1(=O)=O 2265352109 QSDNYKGYNCKXFS-BPKGMFCQSA-N 373.515 3.862 0 30 FHAC CCOC(=O)C(=CNc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC 100380453 BSDWIMFUEVWHTL-UHFFFAOYSA-N 365.735 3.781 0 30 FHAC CN(C(=S)NC(=O)c1ccccc1)c1ccc(OC(F)(F)F)cc1 1043590 YVFOTNFEFORJTN-UHFFFAOYSA-N 354.353 3.736 0 30 FHAC CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1 607716082 BYAZLTKUXBYWFC-UHFFFAOYSA-N 356.378 3.984 0 30 FHAC CCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccc(Cl)cc2)C1 1033909 WXPXMJMKANUKSG-UHFFFAOYSA-N 364.854 3.729 0 30 FHAC O=C(CSC1=NN[C@@H](c2ccccn2)S1)Nc1cccc(Cl)c1 4365918 UTCYFHPJTTXHSE-CQSZACIVSA-N 364.883 3.713 0 30 FHAC OC[C@@H]1C[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O 148444085 OIHMNCYDYHEXKE-IEXUWNMDSA-N 373.496 3.700 0 30 FHAC Cc1nc([C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cs1 95347645 HBVKRUCASZMYMC-LLVKDONJSA-N 357.476 3.542 0 30 FHAC Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 1044916 ZJZMAUBKRKIVPH-UHFFFAOYSA-N 355.365 3.892 0 30 FHAC O=S(=O)(c1cccc2cccnc12)N1CCC[C@H]1c1ccc(F)cc1 1025438 PVRIFDUVNFYWRJ-KRWDZBQOSA-N 356.422 3.900 0 30 FHAC CCOC(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1 1035989 NMMFZLTWQXIBLB-UHFFFAOYSA-N 372.490 3.776 0 30 FHAC COC(=O)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(C)O)CC1=O 96030509 JDBGHSWJPLOAHP-WLWJBAPSSA-N 362.510 3.748 0 30 FHAC in-vitro O=S(=O)(n1nccc1C(c1ccccc1)c1ccccc1)C(F)(F)F 4323429 HTSQHPGEZOAOOG-UHFFFAOYSA-N 366.364 3.761 0 30 FHAC CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)C(=O)O 34382075 FNVJDYQQJDPXDX-KRWDZBQOSA-N 357.406 3.999 0 30 FHAC NN1C(c2ccc(Br)cc2)=CN2CC=CC(C(F)(F)F)=C21 299803542 WWYLVYUKGPBGLB-UHFFFAOYSA-N 358.161 3.583 0 30 FHAC O=C(NCc1csc(-c2cccs2)n1)C1=Cc2ccccc2OC1 1034831 YBHLYRJZHRTXQB-UHFFFAOYSA-N 354.456 3.964 0 30 FHAC COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Br)cn1 40435073 RRQKJLGOGVQXAC-UHFFFAOYSA-N 373.132 3.605 0 30 FHAC Nc1c(O[C@H]2CCOC2)ccc2c(Nc3ccc(F)c(Cl)c3)ncnc12 2242135303 XHOQLKYZPSIEKB-NSHDSACASA-N 374.803 3.916 0 30 FHAC CC(=O)Nc1cccc(OCCCNC(=O)c2cccc3ccccc23)c1 4321586 IODICIZTZXFFRT-UHFFFAOYSA-N 362.429 3.997 0 30 FHAC Cc1nnsc1C(=O)NCCSCc1ccc(Cl)cc1Cl 4390668 MEVTYRTYRDKUST-UHFFFAOYSA-N 362.307 3.817 0 30 FHAC CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1 1032536 CJUUTUZWPHWSLL-UHFFFAOYSA-N 368.842 3.792 0 30 FHAC O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(n2cccc2)CC1 4324350 NGFMFLFKJQEZAI-UHFFFAOYSA-N 358.385 3.533 0 30 FHAC COc1ccc(Cc2cc(-c3cccs3)nnc2O)c(OC)c1OC 1043147 YIPKRPDSKVLRHL-UHFFFAOYSA-N 358.419 3.527 0 30 FHAC CC(C)(C)OC(=O)N[C@H](c1cncc(Br)c1)C(F)(F)F 95642092 XNJSAXRWDQPUFT-SECBINFHSA-N 355.154 3.972 0 30 FHAC COc1cccc(Nc2ncnc3c2nnn3Cc2ccc(Cl)cc2)c1 1035501 GTAQJUDRELDFIY-UHFFFAOYSA-N 366.812 3.675 0 30 FHAC Cc1ccc(-n2c(S)nnc2-c2nn(-c3ccccc3)nc2C)cc1C 1037876 MHZVLSAXEYROCN-UHFFFAOYSA-N 362.462 3.729 0 30 FHAC COc1ccc(CC(=O)NCc2csc(-c3cccs3)n2)cc1OC 1025927 SILRHAPWSZRDPQ-UHFFFAOYSA-N 374.487 3.748 0 30 FHAC COC(=O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 91351915 YQUUIBWHCXBFDE-UHFFFAOYSA-N 369.424 3.905 0 30 FHAC COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c(SC)c2)cc1 33605407 CRDBXRWQBYVTGN-LIRRHRJNSA-N 361.507 3.767 0 30 FHAC COc1ccc(CN2CSC(=S)N(Cc3ccc(OC)cc3)C2)cc1 20223578 WFLVKCLJXXUYGU-UHFFFAOYSA-N 374.531 3.955 0 30 FHAC CCCC[Sn](CCCC)(CCCC)n1ncnn1 196269694 PMOQQKNUICUQBY-UHFFFAOYSA-N 359.106 3.867 0 30 FHAC C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)C1 35606173 RYFTUMKGUYBEQC-BXUZGUMPSA-N 356.388 3.975 0 30 FHAC Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)c1cccnc1 1029673 MNBCVKCBYKKYJN-UHFFFAOYSA-N 364.302 3.892 0 30 FHAC O=C1c2cccc(Br)c2C(=O)c2c(Br)cccc21 4747222 QIFCTRBXWWHIFG-UHFFFAOYSA-N 366.008 3.987 0 30 FHAC in-vitro COc1ccc(CC[C@@H](C)NC[C@@H](O)c2ccc(O)c(SC)c2)cc1 33605401 CRDBXRWQBYVTGN-AUUYWEPGSA-N 361.507 3.767 0 30 FHAC CCN(C[C@@H](C)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 70915621 IOGVUBPZZVBMBA-CQSZACIVSA-N 353.418 3.978 0 30 FHAC Cc1nc([C@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cs1 95347646 HBVKRUCASZMYMC-NSHDSACASA-N 357.476 3.542 0 30 FHAC O=C1C(c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 1041033 WZQPYEJQKDEYJQ-UHFFFAOYSA-N 356.381 3.970 0 30 FHAC C[C@@H]1CC[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 306504832 RQLDNXLQBRULFT-BFUOFWGJSA-N 351.402 3.873 0 30 FHAC CNC1=C(c2cc(Cl)ccn2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)O1 39127579 HUXIYYMKKJDRLQ-OAHLLOKOSA-N 368.742 3.982 0 30 FHAC Fc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(F)cc3)CC2)cc1 15923364 DIRHJRWJLBCERZ-UHFFFAOYSA-N 354.404 3.677 0 30 FHAC CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)OCc1ccccc1)C2 145550840 UTVRIQBGQZKNST-OXQOHEQNSA-N 360.454 3.702 0 30 FHAC CCCc1c(C(=O)NCCc2ccccn2)cnn1-c1ccc(Cl)cc1 1026561 USHXMPIXFKFGPN-UHFFFAOYSA-N 368.868 3.846 0 30 FHAC O=C(CSc1nnnn1-c1ccc(F)cc1)c1ccc2ccccc2c1 1045633 UEIKVDWAHISKEA-UHFFFAOYSA-N 364.405 3.930 0 30 FHAC CCOC(=O)CSc1sc(C(=O)OCC)c2c1C(=O)CC(C)(C)C2 34137025 QLEYDQXMRVKLEO-UHFFFAOYSA-N 370.492 3.735 0 30 FHAC O=C(c1cccs1)N1CCCn2c(SCc3ccccc3)nnc21 1036104 BZSOWDNZNRFHRW-UHFFFAOYSA-N 356.476 3.682 0 30 FHAC CSC1=NCCN1C(=O)c1c(-c2c(F)cccc2Cl)noc1C 1037883 SSZKENPTJAHOGD-UHFFFAOYSA-N 353.806 3.617 0 30 FHAC O=C(N[C@@H](C(=O)O)c1cccnc1)OCC1c2ccccc2-c2ccccc21 15446492 MVIRKKKVCROOQJ-HXUWFJFHSA-N 374.396 3.746 0 30 FHAC Cc1ccccc1-c1cc(=O)oc2cc(O[C@@H](C)C(=O)N(C)C)ccc12 1857777454 DBIPGWVTQBAHGP-AWEZNQCLSA-N 351.402 3.624 0 30 FHAC C[S@@](=O)(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 13466081 WMHRLNPEYSUTQP-FQEVSTJZSA-N 364.275 3.839 0 30 FHAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc2ccsc2c(=O)s1 1029625 DXBYMGYFYGCMQO-UHFFFAOYSA-N 371.365 3.693 0 30 FHAC O=C(O)CSCCCNC(=O)OCC1c2ccccc2-c2ccccc21 143498090 IMBZBISFCDVLSC-UHFFFAOYSA-N 371.458 3.733 0 30 FHAC CC1=C2N=C([C@@H]3C[C@H]3c3nc4c5ccccc5ccn4c3C)NN2[C@@H](C)C=N1 575440542 PVHHGQWFGIUWAJ-JBBXEZCESA-N 370.460 3.780 0 30 FHAC CCOc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 42751588 LPQDQLUPNQKODQ-UHFFFAOYSA-N 362.477 3.798 0 30 FHAC CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 254287916 NZUDJYXIEXZSKT-UHFFFAOYSA-N 363.200 3.807 0 30 FHAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@]1(O)[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@H]12 253533205 KTLSRQXCTIMHKT-IMODBZPSSA-N 374.521 3.604 0 30 FHAC biogenic CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Br)CC1 71864477 DWVGRIGJFDIAJJ-UHFFFAOYSA-N 356.260 3.668 0 30 FHAC CCc1nc2ccccc2nc1N1CCN(C(=O)Nc2ccccc2)CC1 1027751 HEKSRBBRMKHXFI-UHFFFAOYSA-N 361.449 3.546 0 30 FHAC CCOC(=O)C=C(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 2265279447 GCKFUOMOCOXUNN-UHFFFAOYSA-N 356.127 3.733 0 30 FHAC O=C(CSc1nnnn1-c1cccc(Cl)c1)c1ccc(Cl)cc1 1046117 WFOJTMMASKMYCC-UHFFFAOYSA-N 365.245 3.944 0 30 FHAC C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C(F)F 698799214 QDWMFULDTRPTTA-IBGZPJMESA-N 361.344 3.634 0 30 FHAC COC(=O)[C@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)CC1=O 96030508 JDBGHSWJPLOAHP-CRYJFFDQSA-N 362.510 3.748 0 30 FHAC in-vitro COc1ccc([C@H]2NN=C(c3ccccc3OCc3ccccc3)[C@@H]2O)cc1 1041090 IPFIJAXQQJCEBJ-FYYLOGMGSA-N 374.440 3.684 0 30 FHAC O=C(c1ccccc1F)N1CCN(c2nc(-c3ccccc3)cs2)CC1 1349437 UBUKAFPLFGUNTD-UHFFFAOYSA-N 367.449 3.912 0 30 FHAC C[S@@](=O)(=NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 13466111 FINVOMLVBSZCJP-IBGZPJMESA-N 370.304 3.901 0 30 FHAC COc1ccc(Br)c(NC(=S)NC(=O)c2ccccc2)c1 1045855 LCWIUDXGQVJPDU-UHFFFAOYSA-N 365.252 3.585 0 30 FHAC CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)OCc1ccccc1)C2 145551061 UTVRIQBGQZKNST-UZLBHIALSA-N 360.454 3.702 0 30 FHAC Cn1c(S)nnc1CSc1cc(C(F)(F)F)nc2ccccc12 1039296 XBSVDVAEVGYDMF-UHFFFAOYSA-N 356.398 3.963 0 30 FHAC O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cccc2nsnc12 1038792 HIACHNDTEGQQIB-UHFFFAOYSA-N 370.381 3.836 0 30 FHAC COc1cccc2onc(NS(=O)(=O)c3ccc4ccccc4c3)c12 12340933 FPHMOOUNFRDPBP-UHFFFAOYSA-N 354.387 3.790 0 30 FHAC Cc1noc2ncnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)c12 1031969 JUPOICNYRNZWHC-UHFFFAOYSA-N 369.233 3.964 0 30 FHAC CCOC(=O)C(=Cc1cc2ccc(CC)cc2nc1Cl)C(=O)OCC 32099778 FUZOSJMPTYRMKG-UHFFFAOYSA-N 361.825 3.960 0 30 FHAC FC(F)(F)c1nc(Cl)c2ccc(I)cc2n1 26894539 PFTTTYMNMLXQIE-UHFFFAOYSA-N 358.488 3.907 0 30 FHAC COc1cccc(N2CC(=O)Nc3c(sc4nc(C)cc(C)c34)C2=O)c1 1036158 KEGNBGPNPARSIS-UHFFFAOYSA-N 367.430 3.521 0 30 FHAC O[C@@]1(C(F)(F)F)CC(c2ccc3c(c2)Nc2ccccc2S3)=NN1 1047186 GBISDJXOQUYGBI-OAHLLOKOSA-N 351.353 3.843 0 30 FHAC O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 307576168 MFMHMHFNWJQMQT-YRVVQQKDSA-N 363.413 3.873 0 30 FHAC CSc1nsc(SC)c1C(=O)NC(=O)OCc1ccccc1 1035031 QHFRCBGESPJDKU-UHFFFAOYSA-N 354.478 3.654 0 30 FHAC Brc1ccc2ccccc2c1NC1=NCCN1Br 96336396 NFIIDIUPCCNIKJ-UHFFFAOYSA-N 369.060 3.996 0 30 FHAC CC(C)S(=O)(=O)c1csc(NC(=O)N2CCCCC2)c1Cl 1037653 RALPHIXEVUTEIT-UHFFFAOYSA-N 350.893 3.601 0 30 FHAC C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C(F)F 698799215 QDWMFULDTRPTTA-LJQANCHMSA-N 361.344 3.634 0 30 FHAC O=C(Nc1ccc(OC(F)(F)F)cc1)C(=S)NCc1ccccc1 1040917 RZKILVUNYSERGV-UHFFFAOYSA-N 354.353 3.641 0 30 FHAC O=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1 1327427 JGPZZXBPSLTXRJ-UHFFFAOYSA-N 360.410 3.535 0 30 FHAC COc1ccc(OC[C@@H](O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 1032795 PFRSHKUTRGBASJ-KRWDZBQOSA-N 372.465 3.554 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 306599451 HJFODIYTYWKFIU-HXUWFJFHSA-N 360.454 3.656 0 30 FHAC C/C=C1\CN2CC[C@H]1C[C@@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc12 22047145 UVUZUZKZOWNTJI-JJJURRGRSA-N 366.461 3.888 0 30 FHAC in-vitro CC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21 201296854 PTOYHBFRLKABCG-NRFANRHFSA-N 366.461 3.612 0 30 FHAC FC(F)(F)c1ccc(CNC2CCN(CCc3cccs3)CC2)cn1 24886953 VZHIEJOCRKAJEB-UHFFFAOYSA-N 369.456 3.959 0 30 FHAC CCOC(CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)OCC 2145394 HRSBAWDOLPJXAK-UHFFFAOYSA-N 355.478 3.850 0 30 FHAC O=C1c2ccccc2C(=O)N1c1ccc2c(C(F)(F)F)cc(=O)oc2c1 1026432 ZLWAGNMQLKUGAY-UHFFFAOYSA-N 359.259 3.612 0 30 FHAC CC(C)CCC(=O)[C@@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@@H]1CCC(C)C 5114414 JIZQRWKUYFNSDM-YCRPNKLZSA-N 366.498 3.785 0 30 FHAC CCc1ccc2c(c1)Sc1ccccc1C[C@H]2N1CCN(CCO)CC1 22460979 YJGMFENLTLLHOG-HXUWFJFHSA-N 368.546 3.607 0 30 FHAC CCOC(=O)[C@H](Br)[C@H](Br)c1ccc(F)cc1 147232058 JFMKSUJUWMHHLT-NXEZZACHSA-N 354.013 3.588 0 30 FHAC FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2nnc(S)o2)c1 1047769 QHJPNRNGYQBHIV-UHFFFAOYSA-N 374.262 3.908 0 30 FHAC CCOC(=O)C(=Cc1cc2cc(CC)ccc2nc1Cl)C(=O)OCC 32099777 JSXFEJFZPCOCHV-UHFFFAOYSA-N 361.825 3.960 0 30 FHAC CCOC(=O)C(=Cc1cc2ccc(F)cc2nc1Cl)C(=O)OCC 32099784 DBALUCRIPKVIBA-UHFFFAOYSA-N 351.761 3.537 0 30 FHAC CCOC(=O)C(=CN(C)C)Sc1ncc(C(F)(F)F)cc1Cl 2567117 IEUAGZGULCCDBS-UHFFFAOYSA-N 354.781 3.812 0 30 FHAC Cn1nc(C(F)(F)F)c(C=NOC(=O)c2ccc(Cl)cc2)c1Cl 254758302 CXFHMKGETYGQQE-UHFFFAOYSA-N 366.126 3.937 0 30 FHAC CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC[C@H]3CO3)cc12 1854245 BHHSMTHNBZAXQA-KRWDZBQOSA-N 351.402 3.893 0 30 FHAC C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OS(=O)(=O)O 31440132 KWYNDVHEQWYGIL-YISWTCPOSA-N 372.527 3.578 0 30 FHAC CC(C)(C)OC(=O)N1C[C@@H](CC(=O)O)c2cc(Br)ccc21 725374336 DFQNMAJYGWPHSN-SECBINFHSA-N 356.216 3.763 0 30 FHAC NC(=S)NN=Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 254383555 KNKPKVLPPSVQLN-UHFFFAOYSA-N 374.775 3.713 0 30 FHAC Cc1csc2c(=O)n(CCSc3ccc(Cl)cc3)c(=O)[nH]c12 4337675 ULCXYDVUHMYFTQ-UHFFFAOYSA-N 352.868 3.505 0 30 FHAC COC(=O)c1c(O)cc(OC)c(CO)c1OC/C=C(\C)CCC=C(C)C 205004128 VCIDBPJGNGIQDM-NTEUORMPSA-N 364.438 3.751 0 30 FHAC CN1C(=O)C(=NNc2ccc(Cl)c3ccccc23)c2ccccc2C1=O 254867435 DNTPGMCXHAXBCS-UHFFFAOYSA-N 363.804 3.922 0 30 FHAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc2ccccc2c(=O)s1 1029628 IWYJBBNWFSRIND-UHFFFAOYSA-N 365.336 3.631 0 30 FHAC O=C1Nc2cc(Br)ccc2C12CCN(Cc1ccccc1)CC2 309856897 FAZLDATVPDAOBZ-UHFFFAOYSA-N 371.278 3.935 0 30 FHAC Cc1nn(C)c(O)c1C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 15923428 KGAPMNAGXZDGNQ-UHFFFAOYSA-N 366.204 3.935 0 30 FHAC COCc1cc(=O)[nH]c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 5177940 CRNMDDZVKGBUND-UHFFFAOYSA-N 366.442 3.558 0 30 FHAC CCN(CC)CCO[C@]1(C)C(=O)N(Cc2ccccc2)c2ccccc21 2009432 ZTSAQKNFZWRCSF-QFIPXVFZSA-N 352.478 3.807 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@@H]2Nc3ccc(Br)cc3[C@H]2C1 144969404 YMSAVEMRGDWREM-OCCSQVGLSA-N 353.260 3.968 0 30 FHAC COc1ccc(NC(=O)[C@@H]2Nc3ccccc3[C@]23CCC[C@H](OC)C3)cc1 96334544 DBGYXVNGEGJKGX-RBDMOPTHSA-N 366.461 3.955 0 30 FHAC O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OCC1c2ccccc2-c2ccccc21 78627683 WFCSGQCVDZALMQ-YHBQJITHSA-N 363.413 3.873 0 30 FHAC O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 147144413 LRULVYSBRWUVGR-FGZHOGPDSA-N 364.489 3.743 0 30 FHAC O=C(Nc1ccc(F)cc1F)N1CCN(c2cccc3[nH]ccc23)CC1 1037022 MRSKWBNJBBYCKB-UHFFFAOYSA-N 356.376 3.800 0 30 FHAC Cc1ccc(C(=O)OCCCOCCCOC(=O)c2ccccc2)cc1 135883993 KRNMACTUMUDNDH-UHFFFAOYSA-N 356.418 3.806 0 30 FHAC O=C(NCc1cccnc1)c1ccccc1NC(=O)c1c(F)cccc1F 1048299 SLKHMBKRRDEXQO-UHFFFAOYSA-N 367.355 3.542 0 30 FHAC FC(F)(F)c1ccnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1 4325268 CIIWDMMMIKVPNO-UHFFFAOYSA-N 360.383 3.904 0 30 FHAC O[C@@H](CNC1CCN(Cc2ccccc2)CC1)CSc1ccc(F)cc1 4299428 KAXFVIRAZLZREN-FQEVSTJZSA-N 374.525 3.533 0 30 FHAC c1ccc2sc(N3N=N[C@H]4CCCCC[C@]43N3CCOCC3)nc2c1 75271815 OLEKFSLNGLGQPC-FUHWJXTLSA-N 357.483 3.845 0 30 FHAC Cc1ccc2c(c1)CCCN2C(=O)CC(=O)N1CCCc2cc(C)ccc21 1043201 BCZMPXSZJHNKOK-UHFFFAOYSA-N 362.473 3.952 0 30 FHAC CNC(=S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(OC)cc1 4334966 IWNRIDIWCGYDCZ-MJGOQNOKSA-N 351.475 3.523 0 30 FHAC O=C(O)CCC(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 1044610 FXMIBLNHSFFHRI-UHFFFAOYSA-N 371.780 3.860 0 30 FHAC Fc1cccc2cc(Br)c(I)nc12 390822160 NIQMGGATQVKTAO-UHFFFAOYSA-N 351.944 3.741 0 30 FHAC CCOC(=O)c1cnc(SCc2cccc(C(F)(F)F)c2)nc1N 1030061 DUSOFCIOLUBQDD-UHFFFAOYSA-N 357.357 3.547 0 30 FHAC O=C(O)c1ccc(CN2CCC(CN[C@H]3C[C@H]3c3ccccc3)CC2)cc1 147144952 LRULVYSBRWUVGR-VXKWHMMOSA-N 364.489 3.743 0 30 FHAC CN(CCCCNC(=O)OC(C)(C)C)CCCCNC(=O)OC(C)(C)C 1209367379 MOUPECJLEZQJTP-UHFFFAOYSA-N 373.538 3.528 0 30 FHAC CC(C)(C)c1ccc(-c2noc(CSc3n[nH]c(=O)n3C3CC3)n2)cc1 1034240 ZCYWWETVLDKIHC-UHFFFAOYSA-N 371.466 3.546 0 30 FHAC CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccc(F)cc2)CC1 1030278 VTQQGVMLPONTAE-UHFFFAOYSA-N 351.422 3.594 0 30 FHAC CN(c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl)n1cccc1 1046946 HWYRBPLBJNVPNY-UHFFFAOYSA-N 369.639 3.894 0 30 FHAC CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1N1C[C@@H](C)O[C@H](C)C1 20413052 HDZDTYASAUVVOT-GHMZBOCLSA-N 366.820 3.818 0 30 FHAC O=C(O)[C@@H](CS)NC(c1ccccc1)(c1ccccc1)c1ccccc1 113356840 IDRDASGJVNARKR-HXUWFJFHSA-N 363.482 3.951 0 30 FHAC COc1ccc2[nH]c(C(=O)NCCSCc3ccc(F)cc3)cc2c1 4324308 XZZVTJMZOASCKO-UHFFFAOYSA-N 358.438 3.979 0 30 FHAC Cc1ccc(OCc2nnc(S)n2Cc2ccccc2)c2c1CCC2 1043189 ZOWHRGPSOFVGJC-UHFFFAOYSA-N 351.475 3.991 0 30 FHAC Cc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(C(C)(C)C)nn12 1037579 RABKEMOQZIYCDL-UHFFFAOYSA-N 363.870 3.821 0 30 FHAC CC(C)(C)OC(=O)N1CCC(COc2cccc(Br)n2)CC1 95084017 XTLWMFOKLKFRNP-UHFFFAOYSA-N 371.275 3.870 0 30 FHAC C[C@@]1(OCCN2CCCCC2)C(=O)N(Cc2ccccc2)c2ccccc21 95934677 YULVVEUROXJDEB-QHCPKHFHSA-N 364.489 3.951 0 30 FHAC NC(=O)NN=Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 263622328 OIZDZLYZIARHHC-UHFFFAOYSA-N 358.707 3.548 0 30 FHAC Cc1noc(C)c1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1028095 JXFXMZGFCAHSBB-UHFFFAOYSA-N 350.300 3.748 0 30 FHAC C/C=C(\c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 6485600 BFPYUXIFGJJYHU-AYSLTRBKSA-N 355.463 3.656 0 30 FHAC in-man COc1c(I)cc(Br)cc1SC 575691732 OBYYZHVDBOBZAF-UHFFFAOYSA-N 359.026 3.784 0 30 FHAC Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 1044980 VFQOYWFDYUZXOY-UHFFFAOYSA-N 350.749 3.742 0 30 FHAC O=C1Nc2ccccc2/C1=C/c1ccc(CN2C(=O)c3ccccc3C2=O)o1 13465357 KHKMXHVXIJRXBS-WQRHYEAKSA-N 370.364 3.569 0 30 FHAC FC(F)(F)c1nc(I)sc1Br 307488373 DNMDYLHWMLNGGF-UHFFFAOYSA-N 357.920 3.529 0 30 FHAC O=C1OC(=CNNc2ncc(C(F)(F)F)cc2Cl)c2ccccc21 2265279070 OJSQGDIRWWHNCR-UHFFFAOYSA-N 355.703 3.839 0 30 FHAC Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c(C)c1C 3170070 KFHZOZNISXPNDD-AWEZNQCLSA-N 366.571 3.772 0 30 FHAC Nc1ccc(-c2nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3s2)cc1 201195515 PFVVWLNXWYQVLJ-UHFFFAOYSA-N 372.427 3.651 0 30 FHAC CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc2c(c1)ncn2C 1565524404 LZIUQAQTBQIWTB-UHFFFAOYSA-N 351.435 3.635 0 30 FHAC O=C(CN1CCN(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 35601088 LVYUUOTURKKICJ-UHFFFAOYSA-N 371.893 3.955 0 30 FHAC Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1NS(C)(=O)=O 1032999 ZTEGCSJKYPSSBR-UHFFFAOYSA-N 369.899 3.829 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@@H](C23CC(I)(C2)C3)C1 2265360055 MYBCEHQSIKPJGZ-GWMXKSKGSA-N 363.239 3.601 0 30 FHAC CCn1nc(C(C)(C)C)c2c1-c1ccccc1[C@]2(O)C1CCN(C)CC1 3604184 VYEXHVUCZPUIEI-JOCHJYFZSA-N 353.510 3.759 0 30 FHAC CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC(=O)c1ccc([N+](=O)[O-])cc1 21299043 VRADEQBLMLZMBC-UHFFFAOYSA-N 364.697 3.578 0 30 FHAC COC(=O)[C@]1(Nc2ccccc2)CCN(CCc2ccccc2)C[C@@H]1C 33605089 ULCFSXQHBSJRKV-AVRDEDQJSA-N 352.478 3.595 0 30 FHAC COC(=O)c1cccc(N=Cc2cc(Br)cc(OC)c2O)c1 254592267 KUWRACDEQVRCPO-UHFFFAOYSA-N 364.195 3.701 0 30 FHAC O=C(O)[C@@H]1NC(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 95616900 WQCYNFCRMTXSMS-ZIAGYGMSSA-N 351.189 3.718 0 30 FHAC COc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1 13657191 XDQLOZDWOOQDDU-UHFFFAOYSA-N 366.440 3.547 0 30 FHAC O=C(O)c1ccc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2n1 238790749 UXMBIJZBZXMKTN-UHFFFAOYSA-N 355.262 3.542 0 30 FHAC CON=C(CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 254391081 HHJAVFYQAYCZHV-UHFFFAOYSA-N 372.273 3.959 0 30 FHAC Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1 1047079 ZLQTVNYXZKLDMA-UHFFFAOYSA-N 367.215 3.788 0 30 FHAC Cn1nc(-c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 1033896 WZPKGUXVQAJXHO-UHFFFAOYSA-N 365.817 3.680 0 30 FHAC O=C(c1ncoc1-c1ccccc1)N(Cc1ccccn1)Cc1ccccn1 1025806 HWKJOIKOJQLIRL-UHFFFAOYSA-N 370.412 3.974 0 30 FHAC COc1ccccc1-c1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)o1 1043033 DAGMLKMJMGGLLX-UHFFFAOYSA-N 371.702 3.568 0 30 FHAC CCOC(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)sc1CC 1042591 FZEXOQDHKRNFKT-UHFFFAOYSA-N 371.414 3.846 0 30 FHAC CCCCC(=O)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1 6851431 RCHYGYSJYLURQT-UHFFFAOYSA-N 359.495 3.658 0 30 FHAC O=C(N[C@]1(C(=O)O)CC[C@H]2C[C@@H]21)OCC1c2ccccc2-c2ccccc21 253181000 FVKFCODFWJPGSI-MCVWCKRISA-N 363.413 3.778 0 30 FHAC Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N(C)C)O2)cc1 1036949 NXQLGNKJOGIKPR-UHFFFAOYSA-N 353.266 3.510 0 30 FHAC O=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1043642 DCFVSSCBRNQJLI-UHFFFAOYSA-N 363.866 3.624 0 30 FHAC CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(Br)cc1 33762205 LMHOACYHMPGUKX-UHFFFAOYSA-N 363.177 3.952 0 30 FHAC C[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 71606872 FYIWZDMXOCBTJE-CYBMUJFWSA-N 351.402 3.873 0 30 FHAC O=c1/c(=C\c2ccc(Cl)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 1032061 ZARXZKOQOLPUFV-NTEUORMPSA-N 374.252 3.673 0 30 FHAC CCCCCCCCCCCC[C@](C=O)(SS(=O)(=O)O)C(=O)O 223701625 KBMYWYMCPPWLMF-OAHLLOKOSA-N 368.517 3.856 0 30 FHAC C[C@H](c1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 699211754 FQDKSWKOFNLPRL-BXKDBHETSA-N 358.232 3.531 0 30 FHAC CC1=C2N=C([C@@H]3C[C@@H]3c3nc4c5ccccc5ccn4c3C)NN2[C@H](C)C=N1 575440544 PVHHGQWFGIUWAJ-OCBCSQNSSA-N 370.460 3.780 0 30 FHAC O=C1c2ccccc2C(=O)N1c1ccc(-n2ccc(C(F)(F)F)n2)cc1 1028120 QSFWOHBQQXCTKK-UHFFFAOYSA-N 357.291 3.692 0 30 FHAC CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1033027 RHKLXISETFPQHY-UHFFFAOYSA-N 372.368 3.773 0 30 FHAC O[C@]1(C(F)(F)F)CC(c2ccc3c(c2)Nc2ccccc2S3)=NN1 1047185 GBISDJXOQUYGBI-HNNXBMFYSA-N 351.353 3.843 0 30 FHAC Cc1ccccc1CO[P@@](=O)(NC(N)=S)OCc1ccccc1 33986203 HYYSESVWZMNWMZ-JOCHJYFZSA-N 350.380 3.670 0 30 FHAC CCn1nc(C)cc1-c1nnc(S)n1-c1cccc(C(F)(F)F)c1 1047584 FSABDDWZGWQTGA-UHFFFAOYSA-N 353.373 3.767 0 30 FHAC Cc1ccccc1CO[P@](=O)(NC(N)=S)OCc1ccccc1 137226472 HYYSESVWZMNWMZ-QFIPXVFZSA-N 350.380 3.670 0 30 FHAC CC(C)OC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F 4336741 LSZMLOYCVWHYRY-UHFFFAOYSA-N 351.272 3.511 0 30 FHAC O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1ccccn1 1047506 ASJUIFOBVVHPJI-UHFFFAOYSA-N 350.852 3.832 0 30 FHAC COc1cccc(OC)c1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 1044665 JYWDMWRQLTZXCP-UHFFFAOYSA-N 369.204 3.973 0 30 FHAC COc1ccc([C@@H]2NN=C(c3ccccc3OCc3ccccc3)[C@H]2O)cc1 4368785 IPFIJAXQQJCEBJ-GMAHTHKFSA-N 374.440 3.684 0 30 FHAC CSc1nnc(-c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)n1C 4394575 WDDRCILPTBIFNH-UHFFFAOYSA-N 359.474 3.885 0 30 FHAC Cc1ccc2[nH]c(SCC(=O)NCCSCc3ccco3)nc2c1 4344973 GFZYCJBZVOJDJO-UHFFFAOYSA-N 361.492 3.606 0 30 FHAC O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1 1032110 KKVYTSZHYWKIRX-UHFFFAOYSA-N 374.387 3.952 0 30 FHAC COC(=O)c1sccc1Oc1ccc(Cl)cc1N1C(=O)CCC1=O 1027564 OREJVWFPCFKHAG-UHFFFAOYSA-N 365.794 3.634 0 30 FHAC Cc1ncc(C)n2nc([C@H]3C[C@@H]3c3nc4c5cccnc5ccn4c3C)nc12 210248732 ZLHNYULRKIEGAY-HOTGVXAUSA-N 369.432 3.517 0 30 FHAC CC(C)(C)OC(=O)N1CC[C@H](C23CC(I)(C2)C3)C1 2265360054 MYBCEHQSIKPJGZ-FNBIGBAISA-N 363.239 3.601 0 30 FHAC O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1F 1033513 YTOMPAAKXQWAJC-UHFFFAOYSA-N 352.406 3.756 0 30 FHAC CC(C)(C)OC(=O)Nc1cc(I)cc(Cl)n1 642881816 JWCGQJUHRGWCEZ-UHFFFAOYSA-N 354.575 3.687 0 30 FHAC Oc1ccc(-n2nnnc2SCc2ccc(OC(F)(F)F)cc2)cc1 1029025 MUCUANVGILHRCD-UHFFFAOYSA-N 368.340 3.559 0 30 FHAC COc1cc(Cl)cc(OC)c1C(=O)NC(=O)Nc1c(F)cccc1F 1031307 UQXIOPZQQAYSDT-UHFFFAOYSA-N 370.739 3.597 0 30 FHAC COc1ccc(C=CC(=O)NC(=S)Nc2ccc(F)cc2C)cc1OC 2265278779 DTHLWGJTVXSJGR-UHFFFAOYSA-N 374.437 3.678 0 30 FHAC CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1 1342506 PDZLTDLPVQRUCS-UHFFFAOYSA-N 355.463 3.929 0 30 FHAC O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCN(c2ccccc2)CC1 888105025 UYGLKPYPHVFDGG-FQEVSTJZSA-N 365.502 3.878 0 30 FHAC CN(C(=O)[C@H]1CC[C@H]1C(=O)O)c1nc(-c2ccc(Cl)s2)cs1 1028524 TXVSFPFERYOHLE-JGVFFNPUSA-N 356.856 3.599 0 30 FHAC COc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3)n2)cc1 1028731 ZNGFFFRHCHFRQK-UHFFFAOYSA-N 351.431 3.883 0 30 FHAC COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccc4)n3n2)c1 1043140 CXXFFIHMLWJXEX-UHFFFAOYSA-N 364.430 3.960 0 30 FHAC c1ccc2sc(N3N=N[C@@H]4CCCCC[C@@]43N3CCOCC3)nc2c1 75271824 OLEKFSLNGLGQPC-AEFFLSMTSA-N 357.483 3.845 0 30 FHAC COc1ccc(C=O)c(Br)c1Oc1ccc([N+](=O)[O-])cc1 116999561 HAXGCGLWVUUKCI-UHFFFAOYSA-N 352.140 3.971 0 30 FHAC Cc1[nH]c2cccc(OC[C@@H](O)CNCCOc3ccccc3)c2c1Cl 39375686 KTODVGFADXOWDU-HNNXBMFYSA-N 374.868 3.538 0 30 FHAC in-man COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C(C)C)cc1 1029244 MHLYMBDYMGZNIT-UHFFFAOYSA-N 351.424 3.607 0 30 FHAC CC(C)(C)NC[C@@H](O)c1sc(Br)cc1Br 33829501 BWERHIASGOOKRE-SSDOTTSWSA-N 357.111 3.695 0 30 FHAC O=C(N[C@]1(C(=O)O)CC[C@@H]2C[C@H]21)OCC1c2ccccc2-c2ccccc21 253181004 FVKFCODFWJPGSI-NHLCRCCNSA-N 363.413 3.778 0 30 FHAC COc1ccccc1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1044013 RZQBGMFOVGHYGW-UHFFFAOYSA-N 365.882 3.917 0 30 FHAC CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3ccc(C)cc3)C2=O)cc1 100396389 FXQKSXOIJNVTAH-KRWDZBQOSA-N 369.442 3.596 0 30 FHAC COc1ccc(CCN2CCC(OC(=O)c3ccccc3)CC2)cc1OC 33900038 ZLJQAUJRJBRMDQ-UHFFFAOYSA-N 369.461 3.568 0 30 FHAC O=C(/C=C/c1cccs1)Oc1ccc(I)cc1 1042312 FARZFDXPBSAHKY-BQYQJAHWSA-N 356.184 3.972 0 30 FHAC COc1ccc(C(=O)NCc2csc(-c3cccs3)n2)cc1OC 5670837 VPHVOYZCVYBRMX-UHFFFAOYSA-N 360.460 3.819 0 30 FHAC CSc1nsc(SC)c1C(=O)Nc1nn(C)c2cccc(F)c12 1047176 ZTLLZCOGKBLNLZ-UHFFFAOYSA-N 368.484 3.865 0 30 FHAC O=S(=O)(Oc1ncccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 4366748 QHFUKPZAGZPIRT-UHFFFAOYSA-N 371.258 3.887 0 30 FHAC CCn1nc(C(C)(C)C)c2c1-c1ccccc1[C@@]2(O)C1CCN(C)CC1 3604187 VYEXHVUCZPUIEI-QFIPXVFZSA-N 353.510 3.759 0 30 FHAC CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1N1C[C@H](C)O[C@@H](C)C1 20413049 HDZDTYASAUVVOT-QWRGUYRKSA-N 366.820 3.818 0 30 FHAC CCCCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O 8691327 SPHSSXJRJZRQQP-UHFFFAOYSA-N 362.451 3.812 0 30 FHAC C[C@H]1CN(c2ccc(NC(=S)NCc3cccs3)cc2)C[C@H](C)O1 1044504 BYVWQKJHXFQLQF-KBPBESRZSA-N 361.536 3.848 0 30 FHAC O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1cccnc1 1025509 KGBIONOEIQGOBU-OAHLLOKOSA-N 356.369 3.626 0 30 FHAC O=C(OCC1c2ccccc2-c2ccccc21)N1CCC2CC1(C(=O)O)C2 253181311 GFRFXWJYZLDCND-UHFFFAOYSA-N 363.413 3.875 0 30 FHAC O=C(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 19615925 NWBSGRIOWXKWRS-UHFFFAOYSA-N 369.774 3.716 0 30 FHAC C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)C1 35606170 RYFTUMKGUYBEQC-FZMZJTMJSA-N 356.388 3.975 0 30 FHAC Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1 1035220 ZDBKRVUSPZNRQE-INIZCTEOSA-N 356.853 3.678 0 30 FHAC CNS(=O)(=O)c1ccccc1Sc1cccc2cccc(C(=O)O)c12 1036798 WYYHGNSQZPKKIM-UHFFFAOYSA-N 373.455 3.597 0 30 FHAC Cn1cc(CCNC(=O)c2cc(-c3cccs3)[nH]n2)c2ccccc21 888090737 QKUPOGOKLNURAH-UHFFFAOYSA-N 350.447 3.602 0 30 FHAC O=S(=O)(Nc1cccc2nsnc12)c1cc(Cl)sc1Cl 1038779 NMTCNEQKSRYVGC-UHFFFAOYSA-N 366.276 3.860 0 30 FHAC CCNc1nc(I)ccc1OCc1ccccc1 307661927 VOFZZTZCBXRAAB-UHFFFAOYSA-N 354.191 3.697 0 30 FHAC CC/C=C\C[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 33820497 NMZKLLJQNNTBRJ-OIXZZONUSA-N 350.455 3.591 0 30 FHAC CCn1nc(C)c(Br)c1C(=O)Sc1ccc(OC)cc1 1324102 HDAYEVORIJQSOV-UHFFFAOYSA-N 355.257 3.915 0 30 FHAC Cc1c(NC(=O)Nc2ccc3nsnc3c2)cnn1-c1ccccc1 12340891 WLBPWMMREJGBBA-UHFFFAOYSA-N 350.407 3.829 0 30 FHAC Cc1cc(C)cc(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 4325123 CHGGHWRLXQQEOU-UHFFFAOYSA-N 361.467 3.506 0 30 FHAC CC(C)(C)OC(=O)N1CCO[C@](C)(c2cccc(Br)c2)C1 2265384925 HRIXMWMIZASTTI-INIZCTEOSA-N 356.260 3.932 0 30 FHAC FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)nc1 4325028 NWJTYHOKNNEVRX-UHFFFAOYSA-N 360.383 3.904 0 30 FHAC CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@H]24)C1(C)C 257413744 FEAJKDLCGUYWFP-SPIBVNEMSA-N 374.477 3.554 0 30 FHAC biogenic COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cc(Cl)ccc1O2 22062051 CQTLHLYDQYOEJW-UHFFFAOYSA-N 357.841 3.780 0 30 FHAC in-vitro O=C(COc1ncnc2cc(Cl)ccc12)c1ccc2c(c1)OCCCO2 1033610 MVZSHTOMTZZKAG-UHFFFAOYSA-N 370.792 3.706 0 30 FHAC Cc1ccc(NC(=S)NCCNc2nccc(C(F)(F)F)n2)c(C)c1 3467457 QBEVZPUMIZVBQU-UHFFFAOYSA-N 369.416 3.511 0 30 FHAC O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2Cl)c(Cl)c1 6091829 BLTVSIJVJFEGQK-UHFFFAOYSA-N 371.172 3.848 0 30 FHAC COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1024506 NSQNMQSYVWUCCW-UHFFFAOYSA-N 360.218 3.581 0 30 FHAC S=C(Nc1ccc2[nH]ccc2c1)Nc1ccccc1N1CCOCC1 1043228 DVSRQXIGPJYECT-UHFFFAOYSA-N 352.463 3.813 0 30 FHAC COc1cc([N+]#N)c(OC)cc1/N=N/[C@@H](C(C)=O)C(=O)Nc1ccccc1 111407462 HGHGLKGQEZWRFS-AWZKZOKMSA-O 368.373 3.868 0 30 FHAC CCCCCCCCCCCC(=O)N[C@@H](CC)[C@H](C(=O)O)[N+](C)(C)C 113160847 ZKLUMGXCBLRLRX-PKOBYXMFSA-O 357.559 3.962 0 30 FHAC C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H]1C(=O)O 307689932 LFXMJNWXWBTVFL-LSDHHAIUSA-N 365.429 3.978 0 30 FHAC O=C(O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 307576166 MFMHMHFNWJQMQT-PJSUUKDQSA-N 363.413 3.873 0 30 FHAC C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1C(=O)O 307689929 LFXMJNWXWBTVFL-CABCVRRESA-N 365.429 3.978 0 30 FHAC O=NN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 2265384525 PGGPFZLMRYLTFT-YOEHRIQHSA-N 358.369 3.720 0 30 FHAC COc1ccc(OC)c(C(=O)CCCC(=O)c2cc(OC)ccc2OC)c1 1044200 BXZTVDWJXIYBAO-UHFFFAOYSA-N 372.417 3.957 0 30 FHAC CCOC(=O)c1sc([S@@](C)=O)c2c1C[C@H](c1ccccc1)CC2=O 1037848 PXJXJOFXDLZORR-MCFWBGNESA-N 362.472 3.575 0 30 FHAC O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(F)cc2Cl)CC1 14251913 TXZJOEVZPMGIRW-UHFFFAOYSA-N 359.832 3.959 0 30 FHAC COC(=O)c1scc2c(Sc3nccn3C)cc(C(F)(F)F)nc12 1039349 HPYVHLHYSILMPO-UHFFFAOYSA-N 373.381 3.986 0 30 FHAC COc1ccccc1C=C(C(=O)NCCCn1ccnc1)c1ccccc1 2265241364 QPRZKUKSVXRATK-UHFFFAOYSA-N 361.445 3.639 0 30 FHAC O=S(=O)(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 1040861 ADGUKACHEIUMKQ-UHFFFAOYSA-N 361.275 3.669 0 30 FHAC COc1c(O)cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1 12480529 DVDGOKMQDYFKFY-FQEVSTJZSA-N 359.441 3.528 0 30 FHAC COC(=O)c1ccc2c(c1)CC[C@]1(CCCN(Cc3ccccc3)C1=O)C2 585164095 DKBALBKKJMUSNE-HSZRJFAPSA-N 363.457 3.771 0 30 FHAC C[C@@]1(C(=O)O)C[C@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 725240575 OMBCXFRVVPAWBM-ZSEKCTLFSA-N 369.392 3.823 0 30 FHAC CN(C)C=Nc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 3133713 NVCFKEZLSGGKHR-UHFFFAOYSA-N 358.405 3.805 0 30 FHAC CCC(=O)N(CCN1CCCN(CCc2ccccc2)C1)c1ccccc1 33874728 NUJHHOPPUQXSTI-UHFFFAOYSA-N 365.521 3.638 0 30 FHAC O=C(O)C[C@@H]1C[C@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1535641387 AEARWYJCPQCILX-KBPBESRZSA-N 369.392 3.823 0 30 FHAC CCc1ccc2c(c1)Sc1ccccc1C[C@@H]2N1CCN(CCO)CC1 22460975 YJGMFENLTLLHOG-FQEVSTJZSA-N 368.546 3.607 0 30 FHAC CCOc1ccccc1N1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 4302825 KIOIKCZXTISYJJ-UHFFFAOYSA-N 362.477 3.798 0 30 FHAC CC(C)(C)OC(=O)N[C@@H](c1cncc(Br)c1)C(F)(F)F 95642091 XNJSAXRWDQPUFT-VIFPVBQESA-N 355.154 3.972 0 30 FHAC O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1cccnc1 1024100 LHEOSHHKCZRSST-CQSZACIVSA-N 357.262 3.914 0 30 FHAC COc1ccc([C@H]2C[C@H]2C(C)=NOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4084827 ALJDGBQIAAKFDF-ZWKOTPCHSA-N 354.362 3.940 0 30 FHAC CC[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 146852251 RPXBKCGCQQBIKE-WOJBJXKFSA-N 367.445 3.820 0 30 FHAC CC(C)(C)OC(=O)N1CCc2ccc(N=c3[nH]c(Cl)ncc3F)cc21 575449215 BNHKVYYXTZCPMS-UHFFFAOYSA-N 364.808 3.732 0 30 FHAC in-vitro O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1 1028386 OOSNQILOVHGOOI-UHFFFAOYSA-N 353.325 3.747 0 30 FHAC COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 1046852 WJIAPRHOLCZPEE-UHFFFAOYSA-N 360.218 3.581 0 30 FHAC Brc1cc(I)sc1Br 148704618 GBJCHTHMOAJBOD-UHFFFAOYSA-N 367.831 3.878 0 30 FHAC O=C(O)C[C@H](CC(=O)Oc1ccccc1N1CCCC1)c1ccccc1 4347870 VUJNRGKGRGRQKH-QGZVFWFLSA-N 353.418 3.841 0 30 FHAC Clc1cc(Cl)c2oc(C3(Cn4cncn4)OCCCO3)cc2c1 33877855 QFJWSFXJJVIGIX-UHFFFAOYSA-N 354.193 3.621 0 30 FHAC CN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 4361028 GJIQBEFKASYIBV-UHFFFAOYSA-N 365.138 3.977 0 30 FHAC CC(=O)Nc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 6198937 LEBJVVSEWDMNGW-UHFFFAOYSA-N 360.822 3.637 0 30 FHAC COc1ccc(Cl)c(NC(=O)Nc2ccccc2N2CCOCC2)c1 1033440 OBIRXMDQLDYYJJ-UHFFFAOYSA-N 361.829 3.829 0 30 FHAC O=C(Cc1ccccc1)Nc1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2 6666525 OKRHLDGKGDYOIB-UHFFFAOYSA-N 374.440 3.603 0 30 FHAC CC(C)(C)OC(=O)N[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)O 34382076 FNVJDYQQJDPXDX-QGZVFWFLSA-N 357.406 3.999 0 30 FHAC CCO[P@@H](=O)CC[C@]12c3c4ccc(OC)c3O[C@H]1C(=O)CC[C@H]2C=C4 2265352068 PBXXOWXCUCEQTO-VMDGZTHMSA-N 362.362 3.601 0 30 FHAC COc1cc2c(=O)c(Br)c[nH]c2cc1OCc1ccccc1 117925626 UEEBFKHFDNLZQD-UHFFFAOYSA-N 360.207 3.878 0 30 FHAC O=C(NCCc1ccccn1)c1cccnc1Oc1ccc(Cl)cc1 1034822 WPZLKABJPHOMLU-UHFFFAOYSA-N 353.809 3.895 0 30 FHAC O=C(N[C@H](CCCF)C(=O)O)OCC1c2ccccc2-c2ccccc21 220437221 STIMERJJIUNUER-GOSISDBHSA-N 357.381 3.728 0 30 FHAC Cc1ccccc1-c1cc(=O)oc2cc(O[C@H](C)C(=O)N(C)C)ccc12 1857777455 DBIPGWVTQBAHGP-CQSZACIVSA-N 351.402 3.624 0 30 FHAC CN(C)c1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1 4307361 PSBXCZWRCNRARM-UHFFFAOYSA-N 363.849 3.813 0 30 FHAC COc1c(O)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 13109243 DVDGOKMQDYFKFY-HXUWFJFHSA-N 359.441 3.528 0 30 FHAC Cc1cc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)no1 3127573 FNMGWIPVUDKECU-UHFFFAOYSA-N 371.466 3.633 0 30 FHAC Cc1ccc(S(=O)(=O)N=[S@](C)c2ccc(C(F)(F)F)cn2)cc1 3138461 WGHGGZDBBFTPOJ-QFIPXVFZSA-N 362.398 3.588 0 30 FHAC Cc1ccc(S(=O)(=O)C(=CN(C)C)C(=O)c2ccc(Cl)cc2)cc1 6181873 SDQHRTHKAGPFIL-UHFFFAOYSA-N 363.866 3.708 0 30 FHAC CC(C)Sc1nnc(OC(=O)N(C)C)n1-c1cccc(C(F)(F)F)c1 1047288 DYFGILXVQKLYKH-UHFFFAOYSA-N 374.388 3.847 0 30 FHAC O=C(O)CCC(=O)Nc1ncccc1OCc1ccc(Cl)c(Cl)c1 4307599 JBEPRONKQMGDDP-UHFFFAOYSA-N 369.204 3.771 0 30 FHAC CC1(C)OB(c2cnn(Cc3cccc(Cl)c3Cl)c2)OC1(C)C 382783827 GWCXIXPQDWGDCL-UHFFFAOYSA-N 353.058 3.537 0 30 FHAC CN(C)CCc1c[nH]c2cccc(O[P@@](=O)(O)OCc3ccccc3)c12 38289004 GKAIYZRUCXEQSP-UHFFFAOYSA-N 374.377 3.968 0 30 FHAC in-vitro COc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c(SC)c2)cc1 33605405 CRDBXRWQBYVTGN-KUHUBIRLSA-N 361.507 3.767 0 30 FHAC Cc1[nH]c2cccc(OC[C@H](O)CNCCOc3ccccc3)c2c1Cl 4213558 KTODVGFADXOWDU-OAHLLOKOSA-N 374.868 3.538 0 30 FHAC in-man O=C(Nc1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 20230333 RBABXUMDQDYIGN-UHFFFAOYSA-N 351.237 3.743 0 30 FHAC COc1cc(N=Cc2cc(Br)cc(OC)c2O)cc(OC)c1 254441382 QMDYONALYHDASI-UHFFFAOYSA-N 366.211 3.931 0 30 FHAC COc1ccc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C 1031290 YZJBUCVGFZBSMP-UHFFFAOYSA-N 362.813 3.936 0 30 FHAC O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1cccnc1 1025503 KGBIONOEIQGOBU-HNNXBMFYSA-N 356.369 3.626 0 30 FHAC CCOC(=O)Cc1csc(-c2ncc(C(F)(F)F)cc2OCC)n1 1043554 BBDCXKHKGCSLSY-UHFFFAOYSA-N 360.357 3.728 0 30 FHAC Nc1cccc(-c2nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3s2)c1 1603042 GSHJCYVVFAXVOS-UHFFFAOYSA-N 372.427 3.651 0 30 FHAC Cc1ccc(NC(=O)c2ccccc2N(C)C(=O)CN2CCCCC2)cc1 2002636 JOBYFSLGKZGUKV-UHFFFAOYSA-N 365.477 3.696 0 30 FHAC CC(C)(C)OC(=O)N1CCN(c2cccc(OCC(F)(F)F)c2)CC1 204190796 CSZCDZZQEJOWMH-UHFFFAOYSA-N 360.376 3.685 0 30 FHAC O=C(NCc1cccs1)c1csc([C@H]2COc3ccccc3O2)n1 2142733 CHQRWZUEJYAXBJ-OAHLLOKOSA-N 358.444 3.647 0 30 FHAC Cc1cc(NC(=O)C[C@H](CC(=O)O)c2ccc(C(F)(F)F)cc2)no1 4371738 RERLRWHNQIDPBT-LLVKDONJSA-N 356.300 3.589 0 30 FHAC O=S(=O)(Oc1cccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 6500239 GHGXLKGNPVRPBP-UHFFFAOYSA-N 371.258 3.887 0 30 FHAC Cc1ccc(S(=O)(=O)c2cc(NC(=O)c3ccccc3)ccc2N)cc1 33608771 WEXAOBVLOYDCGA-UHFFFAOYSA-N 366.442 3.662 0 30 FHAC Oc1c(I)cc(Br)cc1C(F)(F)F 223322512 CLICENPKDWGPNG-UHFFFAOYSA-N 366.902 3.778 0 30 FHAC CCOC(=O)CSCC(=O)c1ccc(OCc2ccc(F)cc2)cc1 2142014 XLHNASPYUGTGKZ-UHFFFAOYSA-N 362.422 3.884 0 30 FHAC O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 685945639 AEKMTQFECSFRTE-QLEMLULZSA-N 363.413 3.778 0 30 FHAC CC(C)(C)OC(=O)N1[C@H](c2ncc(Br)cn2)[C@H]2CC[C@@H]1C2 1536221831 HUOCXAPWDUFZCJ-WCQGTBRESA-N 354.248 3.700 0 30 FHAC O=C(Nc1ccccc1C(=O)N[C@H]1CCSC1)c1cccc(Cl)c1 1024072 WQVJDLUVZOLHPJ-AWEZNQCLSA-N 360.866 3.828 0 30 FHAC Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 1033893 CQRXLYRQMYIBEA-UHFFFAOYSA-N 361.854 3.850 0 30 FHAC O=C(N[C@H]1C=CC[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 714209815 BMYSYUOLLGYGLW-GJZGRUSLSA-N 363.413 3.945 0 30 FHAC Clc1ccc(CSc2nncn2-c2ccc3c(c2)OCCO3)cc1 1035878 KUSYNSUQUITZJO-UHFFFAOYSA-N 359.838 3.984 0 30 FHAC CSCC(CSC)OC(=O)NC(=O)c1c(Cl)cccc1Cl 3171072 QAKOWBKTHKUQFR-UHFFFAOYSA-N 368.307 3.954 0 30 FHAC CC1(C(=O)O)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1554710236 CHTATNXUUPVFFZ-UHFFFAOYSA-N 351.402 3.778 0 30 FHAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CCC2=O 29747098 CZWCKYRVOZZJNM-VNTOXUBHSA-N 368.495 3.706 0 30 FHAC biogenic Cc1ccc(S(=O)(=O)[C@H](NC(=O)OC(C)(C)C)c2ccco2)cc1 13974591 ITKVQDDJAZARKE-HNNXBMFYSA-N 351.424 3.585 0 30 FHAC Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc2nonc2c1 1040113 UDGSDDAXDADULA-UHFFFAOYSA-N 357.826 3.964 0 30 FHAC CCN(CC)CC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 900565 KWYCPUNAAYFHAK-UHFFFAOYSA-N 353.466 3.836 0 30 FHAC biogenic,in-vitro C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OS(=O)(=O)O 31440126 KWYNDVHEQWYGIL-MFXFBURESA-N 372.527 3.578 0 30 FHAC CC1(C)[C@H](CN)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 675045931 PECAGEGLVJAYHW-VBKZILBWSA-N 350.462 3.899 0 30 FHAC Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OC[C@H]2CCCN32)c(C)s1 1034521 USBRWJZSHAOWSI-CQSZACIVSA-N 364.492 3.527 0 30 FHAC O=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1F 1024168 AQUCXOXURQXTPW-UHFFFAOYSA-N 352.189 3.750 0 30 FHAC CCCN1CCC[C@@H](NC(=S)Nc2ccc(Br)cc2C)C1 4347964 XNZSKNADCZZCMP-CQSZACIVSA-N 370.360 3.918 0 30 FHAC Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCc1ccccc1 1040314 IVIAPNLEWQSKEH-UHFFFAOYSA-N 372.881 3.691 0 30 FHAC COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)N(C)C 1042798 BGYBYDDTHVBENZ-UHFFFAOYSA-N 358.181 3.529 0 30 FHAC O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1 1038224 IGSLMVVVOKGFCB-UHFFFAOYSA-N 370.274 3.920 0 30 FHAC O=C(O)[C@H]1NC(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 95616903 WQCYNFCRMTXSMS-KBPBESRZSA-N 351.189 3.718 0 30 FHAC CNC(=S)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(OC)cc1 4334965 IWNRIDIWCGYDCZ-IEBWSBKVSA-N 351.475 3.523 0 30 FHAC COC(OC)c1cc(=O)[nH]c(SCc2c(Cl)cccc2Cl)n1 5176652 LYVPSFVWEWNVJY-UHFFFAOYSA-N 361.250 3.660 0 30 FHAC COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 4336176 BJJKWRURSQRIKC-UHFFFAOYSA-N 357.225 3.534 0 30 FHAC COC(=O)c1ccc(Br)c(OCc2cc(F)ccc2N)c1 328578433 LGNGMVUYPNMAJO-UHFFFAOYSA-N 354.175 3.536 0 30 FHAC CCOC(=O)c1nc2c(s1)CCOc1ccc(Br)cc1-2 116313408 RAIPYKSSPOZNCA-UHFFFAOYSA-N 354.225 3.684 0 30 FHAC O=C(NCc1cc(F)cc2c1OCOC2)c1ccc(-c2ccccn2)s1 1030978 WEYAPZISABAXJT-UHFFFAOYSA-N 370.405 3.746 0 30 FHAC COC(=O)[C@H]1SCCN1C(=O)c1cc(-c2ccc(Cl)cc2)oc1C 1047126 LURPJXLMSYCNRS-MRXNPFEDSA-N 365.838 3.597 0 30 FHAC COc1cccc(N2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 4709298 RTTITWMIOSGPPQ-LZYBPNLTSA-N 355.371 3.665 0 30 FHAC CCN(Cc1ccc(OC)cc1)C(=O)c1cnc(OC)cc1C(F)(F)F 12368173 DVWFXODUTXVGKW-UHFFFAOYSA-N 368.355 3.780 0 30 FHAC Nc1ccccc1S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 100394891 GHGYRHLIIMFWTO-CQSZACIVSA-N 367.257 4.000 0 30 FHAC Cc1nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2o1 1040520 BANLBAWVHYOLBT-UHFFFAOYSA-N 356.325 3.956 0 30 FHAC COc1ccc(-c2nc3scc(C)n3c2C=O)cc1Br 40439311 LZWCOVZALXRVJW-UHFFFAOYSA-N 351.225 3.955 0 30 FHAC NC(=O)c1c(SCc2ccccc2)sc(C(=O)c2ccccc2)c1N 1045527 AJJPMXLNTJWANL-UHFFFAOYSA-N 368.483 3.953 0 30 FHAC Cc1ccc(C)n1-c1nn(S(=O)(=O)c2ccccc2)c2cccc(F)c12 1029123 LBUWIFZKGVBWPS-UHFFFAOYSA-N 369.421 3.820 0 30 FHAC COc1cc(NC(=O)c2c(OC)cccc2OC)cc(C(F)(F)F)c1 1048263 ZLRFMBQAIGNJOP-UHFFFAOYSA-N 355.312 3.984 0 30 FHAC CCOC(=O)C(=CNc1cc(C(C)(C)C)sc1C(C)=O)C(=O)OCC 2150920 GSSGAVQZGSIGHP-UHFFFAOYSA-N 367.467 3.670 0 30 FHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@H]2CCCCC[C@H]2OS1(=O)=O 2265352110 QSDNYKGYNCKXFS-DRRXZNNHSA-N 373.515 3.862 0 30 FHAC Cc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 20224013 RUPSYJLMLWRWPS-UHFFFAOYSA-N 364.371 3.763 0 30 FHAC O=C(O)[C@H]1NC(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 95616902 WQCYNFCRMTXSMS-UONOGXRCSA-N 351.189 3.718 0 30 FHAC O=S(=O)(Cc1ccc(Cl)cc1)Cc1nc(-c2ccsc2)no1 1043518 NGDCHHSWHFUPFA-UHFFFAOYSA-N 354.840 3.567 0 30 FHAC O=C(NCc1ccc(-c2ccccn2)s1)c1cccc2nsnc12 12340954 KDOSFXQRDDCPKX-UHFFFAOYSA-N 352.444 3.745 0 30 FHAC CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCN(C)C2 4324784 VUYKSZUDMFHYMP-UHFFFAOYSA-N 373.478 3.865 0 30 FHAC O[C@H](CNC1CCN(Cc2ccccc2)CC1)CSc1ccc(F)cc1 4299429 KAXFVIRAZLZREN-HXUWFJFHSA-N 374.525 3.533 0 30 FHAC CCC(=O)NS(=O)(=O)c1cccc(-c2c(-c3ccccc3)noc2C)c1 2242135292 LBJQZHNREKXOHS-UHFFFAOYSA-N 370.430 3.532 0 30 FHAC CCOC(=O)c1cc2c(Br)ccnc2n1C(=O)OC(C)(C)C 71791187 AFYVWLKWMGHGSV-UHFFFAOYSA-N 369.215 3.759 0 30 FHAC CCOC(=O)NC(N[C@H](C)c1ccccc1)(C(F)(F)F)C(F)(F)F 20458902 KKSQUGCSYICAHF-SECBINFHSA-N 358.282 3.904 0 30 FHAC CCN(CC)CCO[C@@]1(C)C(=O)N(Cc2ccccc2)c2ccccc21 2009433 ZTSAQKNFZWRCSF-JOCHJYFZSA-N 352.478 3.807 0 30 FHAC O=C(CCCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1F 1048847 NOFYBAJYEUFOEO-UHFFFAOYSA-N 354.303 3.991 0 30 FHAC C[C@H](c1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 699211772 FQDKSWKOFNLPRL-SKDRFNHKSA-N 358.232 3.531 0 30 FHAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@@H]2CCCCC[C@H]2OS1(=O)=O 2265352112 QSDNYKGYNCKXFS-ZHCJQAHYSA-N 373.515 3.862 0 30 FHAC O=C(NCCOC(=O)c1c(F)cccc1Cl)c1c(F)cccc1Cl 3131875 VNXFCAMPHXIBKK-UHFFFAOYSA-N 374.170 3.858 0 30 FHAC COC(=O)c1sccc1OS(=O)(=O)c1cc(Cl)cc(Cl)c1 2162802 PPSFWXBNNPIHML-UHFFFAOYSA-N 367.231 3.609 0 30 FHAC CCCCCCCCCCCC[C@@](C=O)(SS(=O)(=O)O)C(=O)O 223701684 KBMYWYMCPPWLMF-HNNXBMFYSA-N 368.517 3.856 0 30 FHAC C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2OS(=O)(=O)O 6067664 KWYNDVHEQWYGIL-VXZRPZIYSA-N 372.527 3.578 0 30 FHAC CCOC(=O)C(=CNc1cccc(-c2cc(C)nc(C)c2)c1)C(=O)OCC 137314843 IECGKVGDOKQIHS-UHFFFAOYSA-N 368.433 3.787 0 30 FHAC CN1[C@H]2CCC[C@H]1CC(OC(=O)[C@](O)(c1ccccc1)C1CCCC1)C2 101160971 PNRNRQUPANPINL-IPJJNNNSSA-N 357.494 3.623 0 30 FHAC COc1ccc(NC(=O)[C@@H]2Nc3ccccc3[C@]23CCC[C@@H](OC)C3)cc1 263589079 DBGYXVNGEGJKGX-PIPMEXSNSA-N 366.461 3.955 0 30 FHAC O=S(=O)(c1ccccc1)n1ccc(-c2ccc(Br)s2)n1 1039831 CYKROPCPLWRNKK-UHFFFAOYSA-N 369.265 3.611 0 30 FHAC C[C@@H]1CN(c2ccc(NC(=S)NCc3cccs3)cc2)C[C@@H](C)O1 1044503 BYVWQKJHXFQLQF-ZIAGYGMSSA-N 361.536 3.848 0 30 FHAC CCOC(=O)c1c(SC)nc2ccc(Cl)cc2c1N1CCOCC1 19835311 OWCKUHBBBPPECR-UHFFFAOYSA-N 366.870 3.623 0 30 FHAC C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O 226845108 YLOIPWYYPLYLFH-ORAYPTAESA-N 351.402 3.731 0 30 FHAC CN(C)C[C@H]1CC[C@H]2C[C@H]2[C@]1(O)c1cc(F)cc(OC(=O)C(C)(C)C)c1 1081260655 JFSNOVAAGIPTBR-XVYTYHMNSA-N 363.473 3.573 0 30 FHAC CN(N[C@@H]1OC(=O)c2ccccc21)c1ncc(Cl)cc1C(F)(F)F 1039438 SVKWQENPNZQJRS-CYBMUJFWSA-N 357.719 3.564 0 30 FHAC Cn1c(S)nnc1CSCCOc1ccc(Cl)cc1Cl 2157984 TXTOAIAMMSWLDE-UHFFFAOYSA-N 350.296 3.723 0 30 FHAC O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(-c2cccs2)s1 100381774 RKOPCQCANPPAFK-QMMBQJITSA-N 359.472 3.616 0 30 FHAC c1ccc2sc(N3N=N[C@H]4CCCCC[C@@]43N3CCOCC3)nc2c1 75271818 OLEKFSLNGLGQPC-WMZOPIPTSA-N 357.483 3.845 0 30 FHAC CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1 5849859 TZMRQBUUKHDXFH-UHFFFAOYSA-N 358.581 3.508 0 30 FHAC O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccn1)Cc1ccccn1 1025754 YPFXTOGQDNWCTJ-UHFFFAOYSA-N 373.865 3.521 0 30 FHAC CN(C)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 1775953753 CNNWEBFAZNLXKY-UHFFFAOYSA-N 351.494 3.882 0 30 FHAC Cc1ccc(CN2C(=O)SC(=Cc3ccc4c(c3)OCO4)C2=O)cc1 2265279731 FKTLHRBOCQLFNQ-UHFFFAOYSA-N 353.399 3.960 0 30 FHAC Sc1nnc(SCCCCSc2nnc(S)s2)s1 33650056 HZYLUFQBDSTRLP-UHFFFAOYSA-N 354.598 3.632 0 30 FHAC COc1ccc2c(c1)CCCN2C(=O)NC(=O)c1c(F)cccc1Cl 1040666 ZIEIHUKUJBJBKT-UHFFFAOYSA-N 362.788 3.790 0 30 FHAC Cn1c(SCc2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1 1039191 XFPOLLMHPKGKCH-INIZCTEOSA-N 357.410 3.759 0 30 FHAC Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccc(Cl)c1 4389121 ASTDUHHRCLLLMU-UHFFFAOYSA-N 362.838 3.782 0 30 FHAC CON=CC(C(=O)Nc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1C 254401701 FPGKXVOLNIYRFB-UHFFFAOYSA-N 367.449 3.746 0 30 FHAC O=S(=O)(c1ccc(-c2cc(C(F)(F)F)ccn2)s1)N1CCCC1 1043552 BOHUMZOCYHJQFN-UHFFFAOYSA-N 362.398 3.613 0 30 FHAC Cn1c(CNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)nc2ccccc21 888105549 OVKAEICQJVATJC-UHFFFAOYSA-N 363.461 3.536 0 30 FHAC COC(=O)[C@H]1CC[C@H](CNC(=O)c2cn(C(C)C)c3ccccc23)CC1 952987785 XMVFTRKOPPDOHW-WKILWMFISA-N 356.466 3.931 0 30 FHAC CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cccc2nsnc12 12366652 YDJHTSIRSYYBFD-UHFFFAOYSA-N 350.403 3.619 0 30 FHAC CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O 14762739 KEIIIPKLVSSAEI-UHFFFAOYSA-N 354.358 3.791 0 30 FHAC endogenous,in-man C[C@@H](C(=O)O)c1ccc2c(c1)[C@@H](c1ccc(Br)cc1)C(=O)O2 33873967 PBZRXUVCWYIJPW-RFAUZJTJSA-N 361.191 3.688 0 30 FHAC COc1ccc(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c(O)c1 65743260 GBULKWPSVGWMNK-UHFFFAOYSA-N 369.417 3.632 0 30 FHAC in-vitro Nc1c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cnc2ccnn12 95552188 BWUXSHHOKODNAK-UHFFFAOYSA-N 350.422 3.727 0 30 FHAC CN(C(=O)[C@H]1CC[C@@H]1C(=O)O)c1nc(-c2ccc(Cl)s2)cs1 1028528 TXVSFPFERYOHLE-YUMQZZPRSA-N 356.856 3.599 0 30 FHAC Cc1cc(OS(=O)(=O)c2ccc(F)c(Cl)c2)n(-c2ccccc2)n1 2158797 CKGOCCXSTZFZSX-UHFFFAOYSA-N 366.801 3.741 0 30 FHAC COc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1OC 4213745 PJDRMPCBIWKBJA-UHFFFAOYSA-N 360.885 3.722 0 30 FHAC in-man O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)(F)F)cc1 1030882 ZGTWHPLWGBPQKY-UHFFFAOYSA-N 354.284 3.636 0 30 FHAC CCCc1cnc(N2CCCN(C(=S)Nc3ccc(C)cc3)CC2)nc1 1048307 AZMMZPCFWVCNEL-UHFFFAOYSA-N 369.538 3.647 0 30 FHAC CCOC(=O)[C@@H](Br)[C@@H](Br)c1ccc(F)cc1 147231503 JFMKSUJUWMHHLT-UWVGGRQHSA-N 354.013 3.588 0 30 FHAC CC(C)n1cc(CCNC(=O)c2n[nH]c3c2CCCC3)c2ccccc21 888090699 OSAVCDHBEQLQDQ-UHFFFAOYSA-N 350.466 3.797 0 30 FHAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)CSCC(=O)O)cn2)cc1 1034051 MDLHRSBHOPYPQJ-UHFFFAOYSA-N 374.462 3.928 0 30 FHAC Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)cc1 4297038 OYMIWLNUISAECO-UHFFFAOYSA-N 372.471 3.623 0 30 FHAC CN(C)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1 31623016 WPQOOWXLKSEHBY-WOJBJXKFSA-N 355.478 3.672 0 30 FHAC COC(=O)c1sccc1NC(=O)NC(=O)c1c(Cl)cccc1Cl 1026183 OEAKULZEVIDBDX-UHFFFAOYSA-N 373.217 3.803 0 30 FHAC O=C(N[C@H]1C=CC[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 714209814 BMYSYUOLLGYGLW-CABCVRRESA-N 363.413 3.945 0 30 FHAC COc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 15923362 WQBUJCPDQZOYKF-UHFFFAOYSA-N 366.440 3.547 0 30 FHAC CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(SC(F)(F)F)cc1 226768440 KWVLNYLWJARMHN-SNVBAGLBSA-N 351.346 3.949 0 30 FHAC CC(C)(C)c1ccc(C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1 4299499 ZQWWVQWRDVXGFH-UHFFFAOYSA-N 366.387 3.635 0 30 FHAC CCOc1ccc(C(=O)Nc2ccc(CO)cc2)cc1Br 139677541 KUGLMOSDZGQYOV-UHFFFAOYSA-N 350.212 3.592 0 30 FHAC CN(C)c1ccc2c3c(cccc13)C(=O)N(c1nc3ccccc3[nH]1)C2=O 1039021 INMHWLBMNNLLGT-UHFFFAOYSA-N 356.385 3.583 0 30 FHAC O=C(O)[C@@H]1CC2(CC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1535404842 MVFGNNLXLDZZLZ-IBGZPJMESA-N 363.413 3.875 0 30 FHAC COc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)n3)cc2c1 1040341 PTJMSPZLKVOGPD-UHFFFAOYSA-N 360.211 3.895 0 30 FHAC COc1ccc(N2C(=O)C[C@H](SCc3ccc(Cl)cc3)C2=O)cc1 100394443 QMEVFVVHGXUMHU-INIZCTEOSA-N 361.850 3.914 0 30 FHAC CCCCOC(=O)c1cc(N2CCOCC2)c2cc(F)cc(Cl)c2n1 1503959296 PMFZEFCDSRILKA-UHFFFAOYSA-N 366.820 3.821 0 30 FHAC CN(C)/C=C1\N=C(c2cccnc2Sc2ccc(Cl)cc2)OC1=O 1046938 IUVUWIXIEPLKDS-UVTDQMKNSA-N 359.838 3.593 0 30 FHAC Cc1oc(-c2ccccc2)nc1CNC(=O)c1cccc2nsnc12 12340970 QERNQSWAHLFXHH-UHFFFAOYSA-N 350.403 3.585 0 30 FHAC CN(C)c1ccc2c3c(cccc13)C(=O)N(c1nc3ccccc3n1C)C2=O 1039022 IYCPNMZZBBVZLL-UHFFFAOYSA-N 370.412 3.593 0 30 FHAC CCCCCCCCCCCC(=O)N[C@H](CC)[C@H](C(=O)O)[N+](C)(C)C 113160851 ZKLUMGXCBLRLRX-IEBWSBKVSA-O 357.559 3.962 0 30 FHAC COc1cc(C(F)(F)F)c(-c2noc(=O)n2-c2ccc(C)cc2C)cn1 1043068 IOUUALSJALSQJK-UHFFFAOYSA-N 365.311 3.532 0 30 FHAC C[S@](=O)(=NC(=S)NC(=O)Oc1ccccc1)c1ccc(Cl)cc1 100217966 GRSJYNNJFZVGJC-HSZRJFAPSA-N 368.867 3.870 0 30 FHAC O=C(O)c1oc(C(=O)O)c(OCc2ccccc2)c1OCc1ccccc1 4300833 ZHFHXTPKRGXQSE-UHFFFAOYSA-N 368.341 3.834 0 30 FHAC COc1cc(CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1607496 UHUDTHVLRMAKJZ-UHFFFAOYSA-N 362.422 3.523 0 30 FHAC biogenic CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 57776580 DAFQSIJKKCTVGD-UHFFFAOYSA-N 357.813 3.564 0 30 FHAC Cn1c(SCc2cc(F)cc(F)c2)nnc1-c1ccc2nonc2c1 1040115 ZHUATNWTFFMRCK-UHFFFAOYSA-N 359.361 3.589 0 30 FHAC O=C(NCc1csc(-c2ccccc2)n1)c1cc(F)cc2c1OCOC2 4389229 NVTRTEZASDIPDJ-UHFFFAOYSA-N 370.405 3.746 0 30 FHAC COc1cccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)o2)c1 1043030 WRHMBFBRVRBZKP-UHFFFAOYSA-N 371.702 3.568 0 30 FHAC Cc1onc(-c2ccccc2)c1CN(C)C(=O)c1cccc2nsnc12 12366647 SLEKDWCYLOLHJS-UHFFFAOYSA-N 364.430 3.927 0 30 FHAC COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccco2)cc1 299805631 YMSRNCNETWBLDF-LJQANCHMSA-N 357.431 3.665 0 30 FHAC C[C@H]1C[C@H](C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 306892328 IHPVULHJXRINRU-GJZGRUSLSA-N 365.429 3.978 0 30 FHAC O=C(CSc1ncccc1C(=O)O)Nc1cc(Cl)cc(Cl)c1 1043226 WKIOAUWMOBXYMI-UHFFFAOYSA-N 357.218 3.817 0 30 FHAC C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 306892329 IHPVULHJXRINRU-HUUCEWRRSA-N 365.429 3.978 0 30 FHAC C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1C(=O)O 307689930 LFXMJNWXWBTVFL-GJZGRUSLSA-N 365.429 3.978 0 30 FHAC Cc1ccc2[nH]c3nc(SCC(=O)N(C)C4CCCCC4)nnc3c2c1 5750943 HZGJEXMRHMWOKG-UHFFFAOYSA-N 369.494 3.698 0 30 FHAC COc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 1043003 WJDGKUZGPINNMO-UHFFFAOYSA-N 373.718 3.724 0 30 FHAC Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1Cl 1034674 ITTIFSLCPBSUEF-UHFFFAOYSA-N 361.854 3.850 0 30 FHAC CC(C)(C)NC[C@@H](O)COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 2002719 CHWRJTDXQNPRBQ-MRXNPFEDSA-N 367.445 3.588 0 30 FHAC Cc1c(S(=O)(=O)NCCc2ccccn2)sc2ccc(Cl)cc12 1034820 OCMCFHWJEQZVCD-UHFFFAOYSA-N 366.895 3.779 0 30 FHAC O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1ccccc1I 91676170 OJNTYLZIAALATF-MNOVXSKESA-N 372.202 3.755 0 30 FHAC CCOC(=O)c1cnn2c1nc(N1C[C@@H](C)C[C@H](C)C1)c1ccccc12 1043132 FQXULOQCKPVZHL-KBPBESRZSA-N 352.438 3.542 0 30 FHAC Cc1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2[nH]1 1029660 NGHMUDUZEPJROQ-UHFFFAOYSA-N 372.144 3.779 0 30 FHAC Cn1c(Sc2cnc(S)nc2-c2ccccc2)nnc1C(F)(F)F 4394599 PDMZFVZEFSCFLW-UHFFFAOYSA-N 369.397 3.731 0 30 FHAC Cc1ccc(Oc2ncccc2NC(=O)CCCC(=O)O)c2c1CCC2 1034346 AIBHAPAFWTXDCG-UHFFFAOYSA-N 354.406 3.864 0 30 FHAC Cc1cccc2c(SCC(=O)N(C)C)nc(-c3ccc(F)cc3)nc12 1367472 BJCPRZNPODBAOU-UHFFFAOYSA-N 355.438 3.925 0 30 FHAC COc1ccc2cccc(CCNC(=O)c3cnc4ccccc4n3)c2c1 33892219 MAQVWTMJIGWNHJ-UHFFFAOYSA-N 357.413 3.764 0 30 FHAC CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)cc2Cl)[nH]1 1038743 ACEZJYWFUIVPKT-UHFFFAOYSA-N 359.234 3.868 0 30 FHAC O=c1ccc2cc(CCCCN3CCN(c4ccccc4)CC3)ccc2[nH]1 33884411 ADDNRBBXLJRQFM-UHFFFAOYSA-N 361.489 3.673 0 30 FHAC C[C@H](C(=O)O)c1ccc2c(c1)[C@H](c1ccc(Br)cc1)C(=O)O2 95935019 PBZRXUVCWYIJPW-VFZGTOFNSA-N 361.191 3.688 0 30 FHAC CC(C)(C)OC(=O)N1CC(CC23CC(I)(C2)C3)C1 2265385416 VJVLHVRRADQIPF-UHFFFAOYSA-N 363.239 3.601 0 30 FHAC O=C(O)C[C@@H](CC(=O)Oc1ccccc1N1CCCC1)c1ccccc1 4347869 VUJNRGKGRGRQKH-KRWDZBQOSA-N 353.418 3.841 0 30 FHAC